CC(CCC(=O)[O-])C1=CC=C(C2=CN=CC=C2NC(=O)OC(C)(C)C)C=C1	REAL300012108003	0	52	-1.0	-47.63	410.49	10.39	-37.24
CC(CCC(=O)[O-])C1=CC=C(C2=CC(Cl)=C(Cl)C(Cl)=C2)C=C1	REAL300012108006	0	36	-1.0	-44.98	337.65	12.61	-32.37
COC(=O)C1=CC=C(C)C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=C1	REAL300012108008	0	45	-1.0	-49.11	367.17	12.49	-36.62
CC(CCC(=O)[O-])C1=CC=C(C2=CC=NC([N+](=O)[O-])=C2)C=C1	REAL300012108010	0	37	-1.0	-52.79	314.94	11.09	-41.70
COC1=NC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1C(F)(F)F	REAL300012108011	0	42	-1.0	-47.28	355.41	8.97	-38.31
CC(CCC(=O)[O-])C1=CC=C(C2=CC(C3=CC=CC=C3)=CO2)C=C1	REAL300012108013	0	43	-1.0	-48.42	354.10	13.05	-35.37
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C3CC3)C=C2Cl)C=C1	REAL300012108015	0	43	-1.0	-45.91	358.59	13.83	-32.08
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(Cl)C(Cl)=C2F)C=C1	REAL300012108017	0	36	-1.0	-49.03	333.26	12.36	-36.67
CC(CCC(=O)[O-])C1=CC=C(C2=CC(Cl)=C(Cl)C=C2Cl)C=C1	REAL300012108019	0	36	-1.0	-44.18	341.23	12.70	-31.48
COC1=CC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C(Cl)=C1F	REAL300012108021	0	40	-1.0	-51.86	344.50	11.08	-40.78
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(Cl)C(Cl)=C2Cl)C=C1	REAL300012108023	0	36	-1.0	-47.95	339.74	12.66	-35.29
CC(CCC(=O)[O-])C1=CC=C(C2=CCC3(CC2)OCCO3)C=C1	REAL300012108025	0	46	-1.0	-47.71	360.35	10.54	-37.17
CC(CCC(=O)[O-])C1=CC=C(C2=CN=C(N(C)C)C(Cl)=C2)C=C1	REAL300012108027	0	43	-1.0	-46.63	358.83	10.39	-36.24
CC(CCC(=O)[O-])C1=CC=C(C2=C(F)N(C3=CC=CC=C3)N=C2)C=C1	REAL300012108029	0	43	-1.0	-50.59	364.00	12.61	-37.98
CC(CCC(=O)[O-])C1=CC=C(C2=CCC(NC(=O)OC(C)(C)C)CC2)C=C1	REAL300012108031	0	57	-1.0	-49.53	439.55	11.47	-38.06
COC1=CC(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=C(C2CC2)C=C1Cl	REAL300012108034	0	47	-1.0	-46.37	386.15	13.04	-33.33
CC1=CC=CC2=CC(C3=CC=C(C(C)CCC(=O)[O-])C=C3)=CN=C12	REAL300012108036	0	44	-1.0	-49.32	352.03	12.38	-36.94
CCC1=CC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)N1C(=O)OC(C)(C)C	REAL300012108038	0	55	-1.0	-54.07	423.17	13.45	-40.62
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(Cl)C(C#N)=C2F)C=C1	REAL300012108041	0	37	-1.0	-52.53	337.67	12.17	-40.36
C=CCCCOC1=CC=CC(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=C1	REAL300012108043	0	50	-1.0	-48.72	397.75	13.54	-35.18
C=CCCOC1=CC=CC(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=C1	REAL300012108045	0	47	-1.0	-48.50	376.25	12.76	-35.74
CC1=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300012108047	0	44	-1.0	-52.66	356.03	12.44	-40.22
COC1=NSC(OC)=C1C1=CC=C(C(C)CCC(=O)[O-])C=C1	REAL300012108049	0	40	-1.0	-49.95	346.91	6.74	-43.21
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OCCC[NH+]2CCCC2)C=C1	REAL300012108052	0	43	-1.0	-148.38	352.75	10.88	-137.50
O=C([O-])C1=CC(C2=CC=C(OCCC[NH+]3CCCC3)C=C2)=CN=C1C(=O)[O-]	REAL300012108053	0	48	-1.0	-154.84	387.53	11.07	-143.77
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C(F)(F)F)C(Cl)=C2)C=C1	REAL300012108054	0	39	-1.0	-46.76	342.43	12.59	-34.17
CC(CCC(=O)[O-])C1=CC=C(C2=CC(C(F)(F)F)=CC=C2Cl)C=C1	REAL300012108056	0	39	-1.0	-46.44	348.13	12.73	-33.71
COC1=CC(CO)=CC=C1C1=CC=C(C(C)CCC(=O)[O-])C=C1	REAL300012108058	0	44	-1.0	-50.28	357.40	8.14	-42.14
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C=C1	REAL300012108060	0	42	-1.0	-45.93	361.76	13.04	-32.89
O=C([O-])C1=CC(C2=CC=CC(C[NH+]3CCCC3)=C2)=CN=C1C(=O)[O-]	REAL300012108064	0	41	-1.0	-156.03	333.38	10.56	-145.47
CC(CCC(=O)[O-])C1=CC=C(C2=CC(C#N)=CC=C2CO)C=C1	REAL300012108065	0	41	-1.0	-47.26	342.27	9.05	-38.21
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300012108066	0	46	-1.0	-48.82	364.78	14.59	-34.23
CC(CCC(=O)[O-])C1=CC=C(C2=C(F)C=C3C=COC3=C2)C=C1	REAL300012108068	0	39	-1.0	-48.72	329.07	11.73	-36.99
CC(CCC(=O)[O-])C1=CC=C(C2=C(CNC(=O)OC(C)(C)C)C=NN2C)C=C1	REAL300012108070	0	56	-1.0	-52.30	438.28	10.14	-42.16
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C=C1	REAL300012108073	0	46	-1.0	-48.97	379.16	13.99	-34.98
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(CBr)C=C2)C=C1	REAL300012108076	0	39	-1.0	-47.41	333.82	12.57	-34.84
CC(CCC(=O)[O-])C1=CC=C(C2=CC(F)=C(F)C=C2Cl)C=C1	REAL300012108078	0	36	-1.0	-45.54	322.08	11.85	-33.69
C=CCOC1=CN=CC(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=C1	REAL300012108080	0	43	-1.0	-48.07	349.94	10.17	-37.90
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C3NC(=O)C(=O)C3=C2)C=C1	REAL300012108082	0	40	-1.0	-54.26	335.45	8.65	-45.61
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C3C(=O)C(=O)NC3=C2)C=C1	REAL300012108084	0	40	-1.0	-50.55	335.23	8.65	-41.90
CC(CCC(=O)[O-])C1=CC=C(C2=CC=NN2C2=CC=CC=C2)C=C1	REAL300012108086	0	43	-1.0	-49.94	348.66	11.98	-37.96
O=C([O-])C=C(C(=O)[O-])C1=CN=CC(OCCC[NH+]2CCCC2)=C1	REAL300012108089	0	42	-1.0	-145.86	353.36	8.73	-137.13
O=C([O-])C1=CC(C2=CN=CC(OCCC[NH+]3CCCC3)=C2)=CN=C1C(=O)[O-]	REAL300012108090	0	47	-1.0	-155.00	382.62	9.27	-145.73
CC(CCC(=O)[O-])C1=CC=C(C2=C3OC=CC3=CC(F)=C2)C=C1	REAL300012108091	0	39	-1.0	-48.73	331.16	11.82	-36.91
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(C(F)C(F)(F)F)=C2)C=C1	REAL300012108093	0	42	-1.0	-47.45	354.78	12.94	-34.51
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C=C1	REAL300012108095	0	42	-1.0	-46.38	361.77	13.04	-33.34
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C(F)C(F)(F)F)C=C2)C=C1	REAL300012108098	0	42	-1.0	-48.80	354.77	12.95	-35.85
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(S(C)(=O)=O)C=C2)C=C1	REAL300012108100	0	42	-1.0	-53.87	351.27	8.71	-45.16
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(CN3CCOCC3)=C2)C=C1	REAL300012108102	0	52	-1.0	-47.94	399.52	10.26	-37.68
O=C([O-])C1=CC(C2=CC=CC(C[NH+]3CCOCC3)=C2)=CN=C1C(=O)[O-]	REAL300012108103	1	42	-1.0	-159.17	342.03	8.92	-150.25
COC1=CC(Cl)=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1Cl	REAL300012108104	0	40	-1.0	-46.54	354.85	11.59	-34.95
COC(=O)C1=CC([N+](=O)[O-])=CC(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=C1C	REAL300012108106	0	47	-1.0	-47.78	391.68	13.10	-34.68
COC1=CC=C(Cl)C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=C1	REAL300012108109	0	40	-1.0	-47.77	338.82	11.03	-36.74
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C3OCOC3=C2F)C=C1	REAL300012108111	0	39	-1.0	-52.59	328.03	10.06	-42.53
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC=C2C2CCC2)C=C1	REAL300012108113	0	46	-1.0	-46.52	356.31	13.69	-32.83
CC(CCC(=O)[O-])C1=CC=C(C2=C(CNC(=O)OC(C)(C)C)C=CS2)C=C1	REAL300012108115	0	53	-1.0	-49.62	430.50	10.73	-38.89
CC1=CC(Cl)=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1C	REAL300012108118	0	42	-1.0	-48.39	347.77	12.93	-35.46
CC(CCC(=O)[O-])C1=CC=C(C2=C(F)C=C3OC=CC3=C2)C=C1	REAL300012108120	0	39	-1.0	-48.06	329.24	11.74	-36.32
CCN1N=CC(NC(=O)C(F)(F)F)=C1C1=CC=C(C(C)CCC(=O)[O-])C=C1	REAL300012108122	0	46	-1.0	-47.10	391.82	9.08	-38.02
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(N3CC[C@@H](O)C3)N=C2)C=C1	REAL300012108125	0	48	-1.0	-49.42	374.95	7.82	-41.60
CC(CCC(=O)[O-])C1=CC=C(C2=CC3=NC=CN=C3C=C2Cl)C=C1	REAL300012108127	0	40	-1.0	-50.07	345.28	10.16	-39.91
CC(CCC(=O)[O-])C1=CC=C(C2=CC(CNC(=O)OC(C)(C)C)=NN2C)C=C1	REAL300012108129	0	56	-1.0	-50.32	440.17	9.07	-41.25
CCN1N=CC(NC(=O)OC(C)(C)C)=C1C1=CC=C(C(C)CCC(=O)[O-])C=C1	REAL300012108132	0	56	-1.0	-48.39	438.39	9.98	-38.41
CC1=NC2=CC=CC=C2C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=C1	REAL300012108135	0	44	-1.0	-48.59	354.80	12.18	-36.41
CC(CCC(=O)[O-])C1=CC=C(C2=CC(F)=CC(OC(F)F)=C2)C=C1	REAL300012108137	0	40	-1.0	-48.33	336.25	10.82	-37.51
CC(CCC(=O)[O-])C1=CC=C(C2=C(C3CC3)C=CS2)C=C1	REAL300012108139	0	40	-1.0	-46.04	333.74	12.43	-33.61
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(OC(F)(F)C(F)(F)F)C=C2)C=C1	REAL300012108140	0	43	-1.0	-45.90	370.67	12.04	-33.86
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C3=CNN=C3)C=C2)C=C1	REAL300012108143	0	43	-1.0	-51.18	347.67	11.15	-40.03
COC1=CC=C(CO)C=C1C1=CC=C(C(C)CCC(=O)[O-])C=C1	REAL300012108145	0	44	-1.0	-51.10	357.44	8.15	-42.95
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC3=C2OC2=C3C=CC=C2)C=C1	REAL300012108147	0	45	-1.0	-54.81	371.43	14.12	-40.69
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012108149	0	47	-1.0	-47.89	379.27	14.02	-33.87
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(F)C(OC(F)(F)F)=C2)C=C1	REAL300012108151	0	40	-1.0	-48.09	342.80	11.04	-37.05
COC(=O)C1=CC(F)=CC(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=C1	REAL300012108153	0	42	-1.0	-48.94	351.78	11.89	-37.05
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(CNC(=O)OC(C)(C)C)C=C2)C=C1	REAL300012108155	0	56	-1.0	-49.38	438.51	11.62	-37.76
CC1=CC(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300012108158	0	39	-1.0	-45.99	326.04	12.26	-33.73
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C3C=COC3=C2Cl)C=C1	REAL300012108159	0	39	-1.0	-51.95	336.62	12.07	-39.88
CC(CCC(=O)[O-])C1=CC=C(C=CC2=CC=C(F)C(F)=C2)C=C1	REAL300012108161	0	40	-1.0	-47.82	338.31	12.72	-35.10
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C3NC(=O)COCC3=C2)C=C1	REAL300012108163	0	45	-1.0	-50.71	357.43	9.11	-41.60
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C(F)(F)F)N=C2Cl)C=C1	REAL300012108165	0	38	-1.0	-46.45	344.18	10.92	-35.53
CC1=NC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1Cl	REAL300012108167	0	38	-1.0	-46.27	321.29	10.44	-35.83
CC(C)N1N=CC(C2=CC=C(C(C)CCC(=O)[O-])C=C2)=C1F	REAL300012108168	0	42	-1.0	-48.45	349.61	10.78	-37.67
CC1=CC2=NC=CN=C2C=C1C1=CC=C(C(C)CCC(=O)[O-])C=C1	REAL300012108169	0	43	-1.0	-49.93	348.28	10.26	-39.67
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(CN(C)C(=O)OC(C)(C)C)N=C1	REAL300012109001	0	48	-1.0	-56.62	392.30	9.42	-47.20
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012109002	0	37	-1.0	-53.19	321.61	11.97	-41.22
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C=CC(=O)NC2=C1Cl	REAL300012109003	0	33	-1.0	-55.36	295.85	8.62	-46.74
CC1=CC=C(C(=O)[O-])C=C1C1=CSC(NCC2=CC=CC=C2)=N1	REAL300012109004	0	38	-1.0	-51.67	339.32	10.35	-41.32
CC1=CC=C(C(=O)[O-])C=C1C1=CC2=C(C=C1F)N(C(=O)OC(C)(C)C)CCC2	REAL300012109005	0	51	-1.0	-55.02	399.87	12.54	-42.48
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(F)C(OC(F)(F)F)=C1	REAL300012109006	0	31	-1.0	-52.87	285.29	9.00	-43.87
CC1=CC=C(C(=O)[O-])C=C1C1=CN=CC(C(O)C(F)(F)F)=C1	REAL300012109007	0	33	-1.0	-51.32	296.21	5.91	-45.41
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2NC(=O)CCC2=C1Cl	REAL300012109008	0	35	-1.0	-52.33	303.69	8.60	-43.73
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C2SCC(=O)NC2=C1	REAL300012109010	0	32	-1.0	-52.63	289.62	6.28	-46.35
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC2=C(N(C)C)N=CC=C12	REAL300012109011	0	40	-1.0	-51.61	326.73	9.98	-41.63
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(OC(F)(F)F)C=C1CO	REAL300012109012	0	35	-1.0	-48.91	311.97	6.45	-42.46
COCC1=C(C2=CC(C(=O)[O-])=CC=C2C)C(=O)NC(C2CC2)=N1	REAL300012109013	0	40	-1.0	-58.16	338.78	7.04	-51.12
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(N2C=CC=N2)C(Cl)=C1	REAL300012109014	0	34	-1.0	-58.13	303.45	11.05	-47.08
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2N=C(C(F)F)SC2=C1	REAL300012109015	0	32	-1.0	-52.76	298.54	9.52	-43.24
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(C2(C)COC(=O)N2)=C1	REAL300012109016	0	39	-1.0	-60.67	321.81	7.80	-52.87
COC(=O)C1=CC2=C(C)C(C3=CC(C(=O)[O-])=CC=C3C)=CC=C2N1	REAL300012109017	0	40	-1.0	-53.81	336.24	10.06	-43.75
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C(F)(F)CC(F)(F)F)C=C1	REAL300012109018	0	36	-1.0	-53.47	323.45	11.77	-41.70
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(OC2=CC=CC(N)=C2)N=C1	REAL300012109019	0	38	-1.0	-53.22	331.24	5.30	-47.92
COC(=O)C1=NC(C2CC2)=NC=C1C1=CC(C(=O)[O-])=CC=C1C	REAL300012109020	0	38	-1.0	-52.64	324.13	9.12	-43.52
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(OCC(F)(F)F)C=C1CO	REAL300012109021	0	37	-1.0	-50.49	328.93	4.57	-45.92
CC1=CC=C(C(=O)[O-])C=C1C1=CNC(C)=C(OCC2=CC=CC=C2)C1=O	REAL300012109022	0	44	-1.0	-76.72	374.26	11.76	-64.96
COC1=CC=C(C2=CC(C(=O)[O-])=CC=C2C)C2=C1NC(=O)C2=O	REAL300012109023	0	35	-1.0	-56.19	304.73	5.81	-50.38
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(CC(=O)OC(C)(C)C)C=C1	REAL300012109024	0	45	-1.0	-58.05	364.93	12.59	-45.46
COC(=O)C1=CC(OC(F)(F)F)=CC=C1C1=CC(C(=O)[O-])=CC=C1C	REAL300012109025	0	37	-1.0	-52.93	326.69	9.26	-43.67
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2NCC3CCCN3C2=C1	REAL300012109026	0	42	-1.0	-57.80	328.55	8.60	-49.20
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(CN2C=NC3=C2CCCC3)C=C1	REAL300012109027	0	47	-1.0	-60.12	377.56	14.61	-45.51
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(C2(C)C=CC(=O)CC2)=C1	REAL300012109028	0	43	-1.0	-56.63	342.39	12.09	-44.54
CC1=CC=C(C(=O)[O-])C=C1C1=NN(C)C2=C1NC(=O)NC2=O	REAL300012109029	0	33	-1.0	-51.68	292.82	3.49	-48.19
CC1=CN(C2CCS(=O)(=O)C2)N=C1C1=CC(C(=O)[O-])=CC=C1C	REAL300012109030	0	40	-1.0	-61.50	341.80	6.26	-55.24
CCS(=O)(=O)CCN1C=C(C)C(C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300012109031	0	42	-1.0	-59.25	363.28	6.82	-52.43
COC1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC2=C1NC=NC2=O	REAL300012109032	0	36	-1.0	-72.34	307.36	6.83	-65.51
CC1=CC=C(C(=O)[O-])C=C1C1=CN(C(C)C2=CC=CC=C2)N=C1	REAL300012109033	0	40	-1.0	-53.12	331.60	10.99	-42.13
CCOC(=O)C1=C(C(F)(F)F)N=C(C2=CC(C(=O)[O-])=CC=C2C)O1	REAL300012109034	0	35	-1.0	-49.40	324.86	6.54	-42.86
COC(=O)C(C)CN1C=C(C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300012109035	0	39	-1.0	-52.50	332.57	9.25	-43.25
COC(=O)CC(C)N1C=C(C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300012109036	0	39	-1.0	-52.03	327.56	8.87	-43.16
CCOC(=O)C(C)CN1C=C(C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300012109037	0	42	-1.0	-52.33	354.43	10.18	-42.15
COC(=O)C1=CN2N=C(C3=CC(C(=O)[O-])=CC=C3C)N=C2C=C1	REAL300012109038	0	35	-1.0	-59.86	313.67	9.46	-50.40
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(CC(=O)OC(C)(C)C)=C1	REAL300012109039	0	45	-1.0	-59.21	366.32	12.64	-46.57
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(OC(F)F)=C1C#N	REAL300012109040	0	32	-1.0	-54.20	290.27	8.80	-45.40
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(OC(F)F)=C1C=O	REAL300012109041	0	33	-1.0	-52.10	289.20	9.53	-42.57
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(NC(=O)C(C)(C)C)C=N1	REAL300012109042	0	41	-1.0	-61.70	335.55	8.65	-53.05
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2NC(=O)NC2=O)C=C1	REAL300012109043	0	36	-1.0	-57.51	312.82	5.38	-52.13
CCOC(=O)CSC1=CC=CC(C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300012109044	0	39	-1.0	-51.84	350.73	10.65	-41.19
COC(=O)C1=CN=CC2=CC=C(C3=CC(C(=O)[O-])=CC=C3C)C=C21	REAL300012109045	0	38	-1.0	-65.66	324.43	10.15	-55.51
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(OC2=NC=NS2)C=C1	REAL300012109046	0	33	-1.0	-52.15	305.98	8.25	-43.90
CC1=CC=C(C(=O)[O-])C=C1C1=C2C=C(C(F)(F)F)SC2=CC=C1	REAL300012109047	0	33	-1.0	-50.18	309.34	11.57	-38.61
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)C=N1	REAL300012109048	0	50	-1.0	-57.53	406.08	9.50	-48.03
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2OCC2(F)F)C=C1	REAL300012109049	0	35	-1.0	-53.14	304.32	9.51	-43.63
CC1=CC=C(C(=O)[O-])C=C1C1=CC2=C(C=C1F)OCCNC2=O	REAL300012109050	0	36	-1.0	-56.65	307.69	6.40	-50.25
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2OCCS(=N)(=O)C2=C1	REAL300012109051	0	36	-1.0	-68.19	311.04	5.23	-62.96
COC(=O)C1=CC2=C(OCCNC2=O)C(C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300012109052	0	42	-1.0	-55.06	355.74	7.21	-47.85
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC([C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)=C1	REAL300012109053	0	54	-1.0	-56.75	424.69	11.55	-45.20
CC1=CC=C(C(=O)[O-])C=C1C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300012109054	0	36	-1.0	-58.06	307.10	11.83	-46.23
COC(F)(F)C(F)(F)C1=CC=C(C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300012109055	0	37	-1.0	-51.26	329.21	9.88	-41.38
COC1=CC2=CC=NC(C3=CC(C(=O)[O-])=CC=C3C)=C2C=C1OC	REAL300012109056	0	40	-1.0	-56.04	330.89	8.88	-47.16
COC(=O)C1=CC=C(C2=CC(C(=O)[O-])=CC=C2C)C(F)=C1OC	REAL300012109057	0	37	-1.0	-52.72	323.01	9.91	-42.81
CC1=CC=C(C(=O)[O-])C=C1C1=NC=C(C(O)(C(F)(F)F)C(F)(F)F)S1	REAL300012109058	1	33	-1.0	-50.42	322.04	6.25	-44.17
CC1=CC=C(C(=O)[O-])C=C1C1=NC(C2=CC=CC=C2Cl)=NN1C	REAL300012109059	0	36	-1.0	-51.10	322.56	10.93	-40.17
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=C1)NC1=C2CCCC1=O	REAL300012109060	0	40	-1.0	-59.48	330.06	10.57	-48.91
COCCOCC1=CC=C(C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300012109061	0	41	-1.0	-55.72	343.60	9.09	-46.63
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300012109062	0	33	-1.0	-52.11	314.89	7.32	-44.79
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2CN(C3CC3)C(=O)C2=C1	REAL300012109063	0	39	-1.0	-67.48	324.29	10.62	-56.86
CCOC(=O)C(=O)C1=CC=C(C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300012109064	0	38	-1.0	-51.43	328.32	10.95	-40.48
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2CN(C(=O)OC(C)(C)C)CCC2=C1	REAL300012109065	0	51	-1.0	-55.89	398.99	12.30	-43.59
CC1=CC=C(C(=O)[O-])C=C1C1=CN(C2=CC=CC(C(F)(F)F)=N2)N=C1	REAL300012109066	0	36	-1.0	-59.08	331.35	10.74	-48.34
CCNC(=O)C1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC=C1F	REAL300012109067	0	37	-1.0	-53.55	315.53	8.33	-45.22
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=C1)C(=O)CCCS2(=O)=O	REAL300012109068	0	39	-1.0	-69.00	331.60	7.63	-61.37
CC1=CC=C(C(=O)[O-])C=C1C1=CN(C2=CC=CC(C(F)(F)F)=N2)N=C1	REAL300012109069	0	36	-1.0	-59.08	331.35	10.74	-48.34
COC(=O)C1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC(Cl)=C1C	REAL300012109070	0	36	-1.0	-50.32	317.69	10.74	-39.58
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300012109072	0	33	-1.0	-56.38	314.90	7.29	-49.09
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=O)NCS(=O)(=O)C2=C1	REAL300012109073	0	35	-1.0	-63.44	310.25	3.72	-59.72
COC(=O)C1(C2=CC(F)=CC(C3=CC(C(=O)[O-])=CC=C3C)=C2)CC1	REAL300012109074	0	40	-1.0	-52.51	337.83	11.82	-40.69
COC1=CC(C2=CC(C(=O)[O-])=CC=C2C)=C(C2CC2)C=C1Cl	REAL300012109075	0	38	-1.0	-50.62	322.54	10.77	-39.85
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=C1)C(=O)NCS2(=O)=O	REAL300012109077	0	35	-1.0	-67.23	310.32	3.72	-63.51
CC1=CC=C(C(=O)[O-])C=C1C1=NC(C2CCOCC2)=NN1C	REAL300012109078	0	40	-1.0	-48.77	327.85	7.86	-40.91
COC(=O)C1=CC2=C(C3=CC(C(=O)[O-])=CC=C3C)C(N)=CC=C2S1	REAL300012109079	0	38	-1.0	-57.97	342.88	9.21	-48.76
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(OC2=CC=CC=C2)C=N1	REAL300012109080	0	37	-1.0	-50.30	320.26	10.52	-39.78
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(SC(F)(F)F)C=C1	REAL300012109081	0	31	-1.0	-50.76	290.83	10.63	-40.13
COC(=O)COC1=CC=CC(C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300012109082	0	37	-1.0	-63.01	320.31	10.10	-52.91
COC1=CC=C(OC2=NC=C(C3=CC(C(=O)[O-])=CC=C3C)C=N2)C=C1	REAL300012109083	0	40	-1.0	-53.01	344.03	6.67	-46.34
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C2NC(=O)CC(C)(C)C2=C1	REAL300012109084	0	40	-1.0	-50.92	323.79	8.22	-42.70
COC(=O)CCSC1=CC=CC(C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300012109085	0	39	-1.0	-55.35	350.51	10.54	-44.81
CCOC(=O)C1=NN2C=C(C3=CC(C(=O)[O-])=CC=C3C)C=C(C#N)C2=N1	REAL300012109086	0	39	-1.0	-54.19	358.48	10.82	-43.37
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(SC(F)(F)F)=C1	REAL300012109087	0	31	-1.0	-50.72	290.82	10.63	-40.09
CC1=CC=C(C(=O)[O-])C=C1C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012109088	0	30	-1.0	-49.11	288.48	10.63	-38.48
COC(=O)C1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC(Cl)=C1C	REAL300012109089	0	36	-1.0	-50.32	317.69	10.74	-39.58
CC1=CC=C(C(=O)[O-])C=C1C1=CN=CC(C(O)(O)C(F)(F)F)=C1	REAL300012109090	0	34	-1.0	-52.94	303.00	4.08	-48.86
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2CC(=O)NC(=O)C2)C=C1	REAL300012109091	0	40	-1.0	-58.13	334.89	8.25	-49.88
CC1=CC=C(C(=O)[O-])C=C1C1=C(N)C=CC2=NC(C)=C(C)N=C21	REAL300012109092	0	39	-1.0	-59.48	325.53	6.79	-52.69
CC1=CC=C(C(=O)[O-])C=C1C1=CC2=C(C=C1F)NC(=O)C2(C)C	REAL300012109093	0	38	-1.0	-51.29	322.59	8.70	-42.59
CC1=CC=C(C(=O)[O-])C=C1C1=CN2CC3=CC=CC=C3C(=N)N=C2C=C1	REAL300012109094	0	42	-1.0	-56.56	351.45	11.80	-44.76
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC2=C1NC=C(Cl)C2=O	REAL300012109095	0	33	-1.0	-52.70	297.02	9.76	-42.94
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300012109096	0	32	-1.0	-58.06	287.96	7.72	-50.34
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C(F)(F)C(F)(F)F)C(F)=C1	REAL300012109097	0	33	-1.0	-50.82	306.69	10.96	-39.86
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(C2CCCCN2C(=O)OC(C)(C)C)N=C1	REAL300012109098	0	55	-1.0	-57.71	425.13	10.66	-47.05
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C(=O)OC(C)(C)C)N=C1	REAL300012109100	0	41	-1.0	-50.87	338.59	9.95	-40.92
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2CS(=O)(=O)NC2=C1	REAL300012109101	0	33	-1.0	-61.48	291.84	5.32	-56.16
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=O)OC(C(F)(F)F)=NC2=C1	REAL300012109102	0	34	-1.0	-51.47	316.38	8.59	-42.88
CC1=CC=C(C(=O)[O-])C=C1C1=CC(OCC(F)(F)F)=CC=C1F	REAL300012109103	0	34	-1.0	-56.13	310.30	9.88	-46.25
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(C2CCN(C(=O)OC(C)(C)C)C2)N=C1	REAL300012109104	0	52	-1.0	-53.38	416.41	10.22	-43.16
CCNC(=O)C1=C2C=CC(C3=CC(C(=O)[O-])=CC=C3C)=CC2=NN1	REAL300012109105	0	40	-1.0	-58.51	337.71	6.92	-51.59
CCNC(=O)C1=NNC2=CC(C3=CC(C(=O)[O-])=CC=C3C)=CC=C21	REAL300012109105	1	40	-1.0	-53.54	339.63	6.90	-46.64
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC2=C1CS(=O)(=O)N2	REAL300012109106	0	33	-1.0	-56.31	289.34	5.22	-51.09
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2CC3C(C2=C1)C3(F)F	REAL300012109107	0	35	-1.0	-55.26	301.56	11.94	-43.32
COC1=C(Cl)C=C(C2=CC(C(=O)[O-])=CC=C2C)C2=NC=CC=C21	REAL300012109108	0	36	-1.0	-55.89	322.12	9.89	-46.00
CC1=CC=C(C(=O)[O-])C=C1C1=CC2=CC([N+](=O)[O-])=CN=C2N=C1	REAL300012109109	0	33	-1.0	-50.76	297.50	9.14	-41.62
CC1=CC=C(C(=O)[O-])C=C1C1=C2CCCCN2C(C(F)(F)F)=N1	REAL300012109110	0	37	-1.0	-51.05	314.23	10.23	-40.82
CC1=CC=C(C(=O)[O-])C=C1C1=CC(C2=CC=CC=C2)=CC=C1N	REAL300012109111	0	39	-1.0	-54.73	318.86	10.58	-44.15
CC1=CC=C(C(=O)[O-])C=C1C1=CC2=C(CCCNC2=O)S1	REAL300012109112	0	35	-1.0	-62.08	300.28	7.39	-54.69
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2(O)CCOCC2)N=C1	REAL300012109113	0	41	-1.0	-52.08	329.51	5.82	-46.26
COC(=O)C1=CC=C(C2=CC(C(=O)[O-])=CC=C2C)C(C2=CC=CC=C2)=C1	REAL300012109114	0	43	-1.0	-53.19	363.05	13.03	-40.16
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2NC(C)(C)CC(C)C2=C1	REAL300012109115	0	45	-1.0	-54.38	345.06	10.69	-43.69
COC(=O)C1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC(S(C)(=O)=O)=C1	REAL300012109116	0	39	-1.0	-57.29	348.46	7.31	-49.98
CC1=CC=C(C(=O)[O-])C=C1C1=NN2CCN(C(=O)OC(C)(C)C)CC2=N1	REAL300012109117	0	47	-1.0	-57.82	378.95	9.23	-48.59
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(S(N)(=O)=O)C(C(F)(F)F)=C1	REAL300012109118	0	35	-1.0	-56.48	311.39	5.38	-51.10
CC1=CC=C(C(=O)[O-])C=C1C1=CC(Cl)=C(N)C([N+](=O)[O-])=C1	REAL300012109119	0	31	-1.0	-53.02	287.98	8.43	-44.59
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2COC(=O)N2)C(F)=C1	REAL300012109120	0	36	-1.0	-55.98	311.45	7.66	-48.32
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=C1)NC(=O)C1CCCN21	REAL300012109121	0	41	-1.0	-56.21	329.92	7.72	-48.49
CC1=CC=C(C(=O)[O-])C=C1C1=C2C=C(Cl)C(F)=CN2N=C1	REAL300012109122	0	30	-1.0	-50.13	286.59	9.57	-40.56
CC1=CC=C(C(=O)[O-])C=C1C1=CC2=NC=C([N+](=O)[O-])C(N)=C2C=C1	REAL300012109123	0	36	-1.0	-57.95	311.65	8.29	-49.66
COC(=O)C1=CC(C2=CC(C(=O)[O-])=CC=C2C)=C(C)C=C1Cl	REAL300012109126	0	36	-1.0	-52.19	317.75	10.63	-41.56
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(SC(F)(F)F)N=C1	REAL300012109127	0	29	-1.0	-49.18	284.43	8.47	-40.71
CC1=NNC2=CC=C(C3=CC(C(=O)[O-])=CC=C3C)C(Cl)=C12	REAL300012109128	0	33	-1.0	-51.35	290.55	8.64	-42.71
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(C2COCCN2C(=O)OC(C)(C)C)N=C1	REAL300012109129	0	53	-1.0	-56.76	415.73	7.99	-48.77
COC1=CC=C(C2=CC(C(=O)[O-])=CC=C2C)C(OC(F)F)=C1	REAL300012109130	0	35	-1.0	-54.08	301.19	8.23	-45.85
CC1=CC=C(C(=O)[O-])C=C1C1=CC2=C(C=C1F)NC(=O)CO2	REAL300012109131	0	33	-1.0	-53.25	290.09	6.41	-46.84
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(NC(=O)C(C)(C)C)=N1	REAL300012109132	0	42	-1.0	-60.33	346.46	10.06	-50.27
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C2N=C(C(F)(F)F)C=CN12	REAL300012109133	0	32	-1.0	-50.41	295.46	11.14	-39.27
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC2=C1CN(C(=O)OC(C)(C)C)CC2	REAL300012109134	0	51	-1.0	-66.22	399.95	12.26	-53.96
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(OCC(F)(F)F)=C1	REAL300012109135	0	34	-1.0	-57.21	305.37	9.87	-47.34
CC1=CC=C(C(=O)[O-])C=C1C1=CN(C)N=C1C1=CC=C(F)C=C1	REAL300012109136	0	37	-1.0	-52.68	324.25	10.45	-42.23
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(SC(F)(F)F)C=C1	REAL300012109137	0	31	-1.0	-50.76	290.83	10.63	-40.13
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2(C)COC(=O)N2)C=C1	REAL300012109138	0	39	-1.0	-59.55	321.84	7.79	-51.76
CC1=CC=C(C(=O)[O-])C=C1C1=NN(CC2=CC=CC=C2)C2=CC=CC=C21	REAL300012109139	0	43	-1.0	-55.98	367.17	13.09	-42.89
CCOC(=O)C1=C(C)C(C2=CC(C(=O)[O-])=CC=C2C)=CS1	REAL300012109140	0	36	-1.0	-51.41	313.75	10.13	-41.28
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2(F)CCOCC2)C=C1	REAL300012109141	0	41	-1.0	-52.17	330.93	10.57	-41.60
CC1=CC=C(C(=O)[O-])C=C1C1=CC=NC(N2CCCS2(=O)=O)=C1	REAL300012109142	0	38	-1.0	-63.37	327.47	6.81	-56.56
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2NC(C(F)F)=NC(=O)C2=C1	REAL300012109143	0	35	-1.0	-74.28	311.94	7.77	-66.51
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C(F)(F)F)N=C1C(F)(F)F	REAL300012109144	0	32	-1.0	-54.35	306.35	9.41	-44.94
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(C2=CC(C3=CC=C4OCOC4=C3)=NN2)=C1	REAL300012109145	0	47	-1.0	-61.79	396.10	11.33	-50.46
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(C2=NNC(C3=CC=C4OCOC4=C3)=C2)=C1	REAL300012109145	1	47	-1.0	-65.73	396.09	11.34	-54.39
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC2=C1NS(=O)(=O)C2	REAL300012109146	0	33	-1.0	-59.77	289.61	5.45	-54.32
CC1=NC=C(F)C(C2=CC=C(C3=CC(C(=O)[O-])=CC=C3C)C=C2)=N1	REAL300012109147	0	38	-1.0	-52.72	329.63	10.77	-41.95
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2NC(=O)C(F)(F)OC2=C1	REAL300012109148	0	33	-1.0	-56.87	296.44	6.64	-50.23
COC(=O)C1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC2=C1NC(=O)C2=O	REAL300012109149	0	37	-1.0	-53.77	329.73	7.40	-46.37
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(C(F)(F)F)N1C1CCOCC1	REAL300012109150	0	41	-1.0	-47.12	331.03	8.38	-38.74
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(SCCNS(C)(=O)=O)=C1	REAL300012109151	0	42	-1.0	-63.87	374.65	7.21	-56.66
COC(=O)C1=CC2=C(S1)C(C1=CC(C(=O)[O-])=CC=C1C)=CS2	REAL300012109152	0	33	-1.0	-50.73	317.30	10.34	-40.39
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2=NOC(C3CCCCC3)=N2)O1	REAL300012109153	0	45	-1.0	-50.73	374.74	10.08	-40.65
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=C1)NCC1CCCN21	REAL300012109154	0	42	-1.0	-54.47	328.50	8.59	-45.88
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C2C(N)=NC(Cl)=CN12	REAL300012109155	0	31	-1.0	-52.99	287.22	6.85	-46.14
CC1=CC=C(C(=O)[O-])C=C1C1=NN(CCO)C2=C1C(=O)NC=N2	REAL300012109156	0	36	-1.0	-69.55	315.62	4.40	-65.15
C=CC1=CC=C(C(F)(F)F)C=C1C1=CC(C(=O)[O-])=CC=C1C	REAL300012109157	0	34	-1.0	-53.11	298.62	10.95	-42.16
CC1=CC=C(C(=O)[O-])C=C1C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300012109158	0	35	-1.0	-48.34	321.39	10.27	-38.07
CC1=CC=C(C(=O)[O-])C=C1C1=NN=C(CC2=CC=C(Cl)C=C2)S1	REAL300012109159	0	35	-1.0	-47.81	331.71	10.73	-37.08
CC1=CC=C(C(=O)[O-])C=C1C1=NN=C(CC(F)(F)F)S1	REAL300012109160	0	28	-1.0	-47.83	274.50	7.58	-40.25
CC1=CC=C(C(=O)[O-])C=C1C1=NN=C(CC2=CC=CC=C2F)S1	REAL300012109161	0	35	-1.0	-49.91	320.43	10.25	-39.66
COC1=CC=C(C2=NN=C(C3=CC(C(=O)[O-])=CC=C3C)S2)C=C1	REAL300012109162	0	36	-1.0	-50.23	326.04	8.58	-41.65
CC1=CC=C(C(=O)[O-])C=C1C1=NN=C(CC2=CC=CC=C2)S1	REAL300012109163	0	35	-1.0	-47.95	314.97	10.21	-37.74
CC1=CC=C(C(=O)[O-])C=C1C1=NN=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300012109164	0	36	-1.0	-48.65	342.57	9.08	-39.57
CC1=CC=C(C(=O)[O-])C=C1C1=CC(F)=CC2=C1NC(=O)S2	REAL300012109165	0	30	-1.0	-49.02	280.90	7.67	-41.35
CCOC(=O)C1=CC(OC)=CC(C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300012109166	0	40	-1.0	-57.19	339.18	10.00	-47.19
CC1=CC=C(C(=O)[O-])C=C1C1=CC(S(=O)(=O)N(C)C)=CC=N1	REAL300012109167	0	37	-1.0	-55.68	326.39	5.66	-50.02
CC1=CC=C(C(=O)[O-])C=C1C1=CNC2=NC=C(S(N)(=O)=O)C2=C1	REAL300012109168	0	35	-1.0	-60.78	320.26	3.48	-57.30
CCOC(=O)C1=CN=C2C=CC(C3=CC(C(=O)[O-])=CC=C3C)=CN2C1=O	REAL300012109169	0	41	-1.0	-58.92	355.91	11.50	-47.42
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(S(C)(=O)=O)C(C#N)=C1	REAL300012109170	0	34	-1.0	-59.51	308.80	6.75	-52.76
CCOC(=O)C1=CC2=C(C)C=C(C3=CC(C(=O)[O-])=CC=C3C)C=C2N1	REAL300012109171	0	43	-1.0	-53.42	363.49	11.23	-42.19
COC1=CC=C(N2CCCCC2)C(C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300012109172	0	46	-1.0	-54.89	352.27	10.38	-44.51
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(S(N)(=O)=O)C(N)=N1	REAL300012109173	0	33	-1.0	-54.19	289.16	2.17	-52.02
CC1=CC=C(C(=O)[O-])C=C1C1=CC=NC2=CC=C(Br)C=C21	REAL300012109174	0	32	-1.0	-49.90	291.95	9.88	-40.02
CC1=CC=C(C(=O)[O-])C=C1C1=CN([C@@H]2CCCC[C@H]2O)N=C1	REAL300012109175	0	41	-1.0	-53.65	328.78	6.81	-46.84
COC(=O)C1=C2SC=NC2=C(C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300012109176	0	35	-1.0	-54.04	318.83	9.27	-44.77
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2=NC(=O)NC=C2)N=C1	REAL300012109177	0	35	-1.0	-63.76	307.18	6.06	-57.70
COC1=CC(S(N)(=O)=O)=CC=C1C1=CC(C(=O)[O-])=CC=C1C	REAL300012109178	0	36	-1.0	-58.93	316.18	3.60	-55.33
CC1=CC=C(C(=O)[O-])C=C1C1=CN=CC(OCC2=CC=CC=C2)=C1	REAL300012109179	0	40	-1.0	-53.66	339.32	10.53	-43.13
COC(=O)C1=CC=C(C(C)C)C(C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300012109180	0	42	-1.0	-55.35	349.49	11.68	-43.67
COC(=O)C1=NOC2=CC(C3=CC(C(=O)[O-])=CC=C3C)=CC=C21	REAL300012109181	0	35	-1.0	-52.93	311.06	9.09	-43.84
COC(=O)C1=CC2=NNN=C2C(C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300012109182	0	35	-1.0	-56.22	311.55	7.12	-49.10
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(CS(N)(=O)=O)C=C1C	REAL300012109183	0	38	-1.0	-61.25	328.68	5.25	-56.00
CCOC(=O)CC1=C(C2=CC(C(=O)[O-])=CC=C2C)C=NC=C1[N+](=O)[O-]	REAL300012109184	0	40	-1.0	-54.43	345.25	10.01	-44.42
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(CCS(N)(=O)=O)C=C1	REAL300012109185	0	38	-1.0	-60.26	334.23	5.62	-54.64
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(OC2=CC=CN=C2)C=C1	REAL300012109186	0	37	-1.0	-53.62	316.55	10.23	-43.39
CC1=CC=C(C(=O)[O-])C=C1C1=CC(O)=CC2=C1CN(C(=O)OC(C)(C)C)CC2	REAL300012109187	0	52	-1.0	-67.41	410.95	9.41	-58.00
CC(=O)OCC1=NN(C)C(Cl)=C1C1=CC(C(=O)[O-])=CC=C1C	REAL300012109188	0	36	-1.0	-54.37	334.62	8.92	-45.45
CC1=CC=C(C(=O)[O-])C=C1C1=CC=NC2=CC=C(S(=O)(=O)C(C)C)C=C21	REAL300012109189	0	44	-1.0	-53.42	372.53	8.40	-45.02
COC(=O)C1=NN2C=CC=C(C3=CC(C(=O)[O-])=CC=C3C)C2=N1	REAL300012109190	0	35	-1.0	-69.81	315.45	9.41	-60.40
CC1=NN=C(CC2=CC=C(C3=CC(C(=O)[O-])=CC=C3C)C=C2)O1	REAL300012109191	0	38	-1.0	-60.42	329.38	6.56	-53.86
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(Cl)=C1OC(F)F	REAL300012109192	0	31	-1.0	-53.26	288.60	9.44	-43.82
COC(=O)C1=CC2=C(C3=CC(C(=O)[O-])=CC=C3C)C=NC=C2S1	REAL300012109193	0	35	-1.0	-53.65	320.85	9.42	-44.23
COC(=O)C1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC(C(F)(F)F)=C1	REAL300012109194	0	36	-1.0	-50.68	326.50	10.77	-39.91
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(C2(NC(=O)OC(C)(C)C)CC2)N=C1	REAL300012109195	0	49	-1.0	-54.65	401.18	8.29	-46.36
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300012109196	0	37	-1.0	-50.48	328.72	8.46	-42.02
COC1=CC=C2NC(=O)C(=O)C2=C1C1=CC(C(=O)[O-])=CC=C1C	REAL300012109197	0	35	-1.0	-66.74	310.55	6.02	-60.72
CC1=CC=C(C(=O)[O-])C=C1C1=CC2=CC=C(Cl)C=C2S1	REAL300012109198	0	30	-1.0	-49.13	286.88	11.04	-38.09
COC(=O)C1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC2=C1NC(=O)CO2	REAL300012109199	0	39	-1.0	-54.62	333.57	7.29	-47.33
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(N=S(C)(C)=O)=N1	REAL300012109200	0	36	-1.0	-70.59	314.46	7.13	-63.46
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(N=S(C)(C)=O)C=N1	REAL300012109202	0	36	-1.0	-70.98	311.37	6.01	-64.97
CC1=CC=C(C(=O)[O-])C=C1C1=CC(C)=C(C2CC2)C=C1Cl	REAL300012109203	0	37	-1.0	-51.12	313.73	12.12	-39.00
COC(C1=CC=C(C2=CC(C(=O)[O-])=CC=C2C)C=C1)(C(F)(F)F)C(F)(F)F	REAL300012109204	0	40	-1.0	-50.12	339.96	10.44	-39.68
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(OC(F)(F)C(F)(F)F)C=N1	REAL300012109205	0	33	-1.0	-47.71	310.68	8.49	-39.22
CC1=CC=C(C(=O)[O-])C=C1C1=CC=NC2=C1C=CC1=C2N=CC=C1	REAL300012109206	0	37	-1.0	-56.91	312.05	9.79	-47.12
CC1=CC=C(C(=O)[O-])C=C1C1=CC(Cl)=C2NC=CC(=O)C2=C1	REAL300012109207	0	33	-1.0	-65.29	298.41	9.53	-55.76
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(N2CCCC2=O)C(F)=C1	REAL300012109208	0	38	-1.0	-58.62	325.09	10.62	-48.00
CC1=CC=C(C(=O)[O-])C=C1C1=CN(C(C(N)=O)C(C)C)N=C1	REAL300012109209	0	40	-1.0	-60.77	322.74	5.55	-55.22
CC1=CC=C(C(=O)[O-])C=C1C1=CN=CC(N=S(C)(C)=O)=C1	REAL300012109210	0	36	-1.0	-70.56	308.61	5.53	-65.03
COC(=O)C1=C(OC)C2=CC(C3=CC(C(=O)[O-])=CC=C3C)=CC=C2N=C1	REAL300012109211	0	42	-1.0	-55.87	357.47	10.27	-45.60
CC1=CC=C(C(=O)[O-])C=C1C1=CC(C(F)(F)F)=CC=C1C=O	REAL300012109213	0	32	-1.0	-49.14	290.76	9.65	-39.49
CCOC1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C(F)(F)F	REAL300012109214	0	37	-1.0	-50.67	321.85	10.45	-40.22
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(OC(F)(F)C(F)(F)F)C=N1	REAL300012109215	0	33	-1.0	-47.71	310.68	8.49	-39.22
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C3=CC=CC=C3C(=O)C2=C1	REAL300012109216	0	37	-1.0	-63.33	320.26	12.31	-51.02
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=O)C(=O)N(CC3=CC=CC=C3)C2=C1	REAL300012109217	0	44	-1.0	-52.33	379.15	12.53	-39.80
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C#N)C(C(F)(F)F)=N1	REAL300012109218	0	30	-1.0	-45.66	281.26	9.28	-36.38
COC(=O)C1=CC(OC2=CC=C(C3=CC(C(=O)[O-])=CC=C3C)C=C2)=CC=N1	REAL300012109219	0	43	-1.0	-57.07	374.26	10.90	-46.17
CC1=CC=C(C(=O)[O-])C=C1C1=CC(N2SC3=CC=CC=C3C2=O)=CC=C1C	REAL300012109220	0	43	-1.0	-58.05	366.34	13.09	-44.96
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(N2SC3=CC=CC=C3C2=O)=C1	REAL300012109221	0	40	-1.0	-60.19	350.56	12.66	-47.53
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2OCCO2)C=C1F	REAL300012109222	0	36	-1.0	-52.42	306.63	8.83	-43.59
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(OC(F)(F)CO)C=C1	REAL300012109223	0	35	-1.0	-54.10	304.93	6.22	-47.88
CC1=CC=C(C(=O)[O-])C=C1C1=CC(C)=C(F)C(C(F)(F)F)=C1	REAL300012109224	0	33	-1.0	-51.68	297.66	10.82	-40.86
CC1=CC=C(C(=O)[O-])C=C1C1=CN(CC2=CC=C(C=O)C=C2)N=C1	REAL300012109225	0	39	-1.0	-55.86	342.45	10.52	-45.34
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2NC=C([N+](=O)[O-])C(=O)C2=C1	REAL300012109226	0	35	-1.0	-82.43	310.20	10.54	-71.89
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=O)C([N+](=O)[O-])=CNC2=C1	REAL300012109227	0	35	-1.0	-60.22	310.17	10.53	-49.69
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(OC2CCCCC2)C=C1	REAL300012109228	0	44	-1.0	-51.77	345.35	11.94	-39.83
COC1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C(F)(F)F	REAL300012109229	0	34	-1.0	-50.69	300.00	9.52	-41.17
CC1=CC=C(C(=O)[O-])C=C1C1=CC=NC(NC(=O)OC(C)(C)C)=C1	REAL300012109230	0	43	-1.0	-54.29	351.47	9.08	-45.21
CC(=O)NC1=CC2=C(C=C1C1=CC(C(=O)[O-])=CC=C1C)C(=O)CC2	REAL300012109231	0	40	-1.0	-57.59	334.08	9.48	-48.11
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CCOC(=O)C1=CC=NC(NC(CCC#N)C(=O)[O-])=C1[N+](=O)[O-]	REAL300013385014	0	36	-1.0	-54.59	335.70	8.70	-45.89
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COC1=CC2=NC(NC(CCC#N)C(=O)[O-])=NC(N)=C2C=C1OC	REAL300013385020	1	40	-1.0	-54.83	344.02	6.35	-48.48
COC1=CC=C(I)C(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013458001	0	34	-1.0	-51.82	314.27	5.47	-46.35
COC1=CC=C(I)C(NC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013458002	0	34	-1.0	-50.02	306.13	6.41	-43.61
COC1=CC=C(I)C(NC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013458003	0	36	-1.0	-48.20	325.11	5.86	-42.34
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013458004	0	49	-1.0	-50.27	378.83	8.89	-41.38
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013458005	0	49	-1.0	-57.39	400.76	9.17	-48.22
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013458006	0	49	-1.0	-52.00	404.68	8.51	-43.49
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013458007	0	51	-1.0	-46.14	393.46	7.35	-38.79
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013458008	0	47	-1.0	-44.12	372.89	7.32	-36.80
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N(C)CCC(=O)[O-]	REAL300013458009	0	45	-1.0	-52.77	362.97	7.99	-44.78
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013458010	0	52	-1.0	-53.91	407.31	8.19	-45.72
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCCCCC(=O)[O-]	REAL300013458011	0	48	-1.0	-51.97	388.42	7.18	-44.79
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013458012	0	49	-1.0	-54.20	404.69	8.49	-45.71
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCCC(=O)[O-]	REAL300013458013	0	42	-1.0	-50.29	345.42	5.60	-44.69
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013458014	0	51	-1.0	-50.55	409.92	7.96	-42.59
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013458015	0	46	-1.0	-48.45	373.52	3.89	-44.56
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013458016	0	48	-1.0	-52.54	380.86	7.06	-45.48
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013458017	0	52	-1.0	-57.92	422.16	9.98	-47.94
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013458018	0	49	-1.0	-55.79	384.87	8.51	-47.28
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N(C)CC(C)C(=O)[O-]	REAL300013458019	0	48	-1.0	-55.49	378.12	8.56	-46.93
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013458020	0	52	-1.0	-42.61	396.38	9.67	-32.94
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013458021	0	52	-1.0	-50.32	391.69	9.07	-41.25
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCCCC(=O)[O-]	REAL300013458022	0	45	-1.0	-47.64	366.92	6.40	-41.24
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013458023	0	52	-1.0	-44.36	400.21	9.44	-34.92
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CC1=CC(N2CCSCC2)=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013458027	0	49	-1.0	-48.36	386.16	7.83	-40.53
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CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013458031	0	55	-1.0	-50.38	418.13	10.27	-40.11
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013458032	0	51	-1.0	-54.11	395.08	6.99	-47.12
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013458033	0	52	-1.0	-47.68	405.38	8.45	-39.23
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013458034	0	52	-1.0	-48.54	392.10	9.57	-38.97
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013458035	0	49	-1.0	-46.10	387.40	7.75	-38.35
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CC1=CC(N2CCSCC2)=CC=C1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013458038	0	57	-1.0	-51.86	432.92	8.82	-43.04
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013458039	0	46	-1.0	-44.89	372.57	7.34	-37.55
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CC(C)OC1=CC=C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300013458128	0	46	-1.0	-50.91	357.58	8.54	-42.37
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CC(C)OC1=CC=C(NC(=O)N2CC(C(=O)[O-])CCC2C)C(F)=C1	REAL300013458134	0	46	-1.0	-44.58	357.68	8.40	-36.18
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CC(C)OC1=CC=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C(F)=C1	REAL300013458145	0	46	-1.0	-45.17	361.05	8.52	-36.65
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CC(C)OC1=CC=C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300013458147	0	46	-1.0	-47.17	367.59	7.12	-40.05
CC(C)OC1=CC=C(NC(=O)NC2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300013458148	0	46	-1.0	-45.88	363.12	7.54	-38.34
CC(C)OC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCOC2)C(F)=C1	REAL300013458149	0	47	-1.0	-44.55	370.52	5.74	-38.81
CC(C)OC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOC2)C(F)=C1	REAL300013458150	0	44	-1.0	-45.67	355.94	4.72	-40.95
CC(C)OC1=CC=C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)C(F)=C1	REAL300013458151	0	44	-1.0	-59.84	351.94	8.36	-51.48
CC(C)OC1=CC=C(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300013458152	0	41	-1.0	-48.46	345.42	6.68	-41.78
CC(C)OC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300013458153	0	40	-1.0	-43.71	333.36	6.29	-37.42
CC(C)OC1=CC=C(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(F)=C1	REAL300013458154	0	47	-1.0	-44.03	369.97	8.60	-35.43
CC(C)OC1=CC=C(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C(F)=C1	REAL300013458155	0	43	-1.0	-44.53	362.68	7.70	-36.83
CC(C)OC1=CC=C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C(F)=C1	REAL300013458156	0	44	-1.0	-50.93	350.17	7.04	-43.89
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(OC(C)C)C=C2F)C1	REAL300013458157	0	47	-1.0	-48.82	372.71	6.74	-42.08
CC(C)OC1=CC=C(NC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(F)=C1	REAL300013458158	0	47	-1.0	-52.60	393.55	9.59	-43.01
CC(C)OC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C2)C(F)=C1	REAL300013458159	0	40	-1.0	-47.40	328.45	6.88	-40.52
CC(C)OC1=CC=C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300013458160	0	41	-1.0	-50.91	344.99	6.69	-44.22
CC(C)OC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCCCC2)C(F)=C1	REAL300013458161	0	49	-1.0	-47.64	371.34	8.65	-38.99
CC(C)OC1=CC=C(NC(=O)NC(C)CCC(=O)[O-])C(F)=C1	REAL300013458162	0	42	-1.0	-45.63	346.91	6.33	-39.30
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013458163	0	50	-1.0	-57.75	381.61	8.74	-49.01
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013458164	0	50	-1.0	-52.30	400.24	8.96	-43.34
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013458165	0	50	-1.0	-56.53	404.18	8.30	-48.23
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013458166	0	52	-1.0	-49.66	391.73	7.12	-42.54
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013458167	0	48	-1.0	-55.77	371.94	7.15	-48.62
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N(C)CCC(=O)[O-]	REAL300013458168	0	46	-1.0	-54.23	361.40	7.78	-46.45
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013458169	0	53	-1.0	-57.00	406.81	7.99	-49.01
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCCCCC(=O)[O-]	REAL300013458170	0	49	-1.0	-54.73	386.69	6.97	-47.76
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013458171	0	50	-1.0	-57.71	402.96	8.29	-49.42
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCCC(=O)[O-]	REAL300013458172	0	43	-1.0	-52.17	343.70	5.40	-46.77
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013458173	0	52	-1.0	-54.02	408.19	7.76	-46.26
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013458174	0	47	-1.0	-50.42	371.79	3.70	-46.72
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013458175	0	49	-1.0	-54.11	378.55	6.87	-47.24
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013458176	0	53	-1.0	-53.04	421.64	9.76	-43.28
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013458177	0	50	-1.0	-51.70	384.89	8.35	-43.35
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N(C)CC(C)C(=O)[O-]	REAL300013458178	0	49	-1.0	-56.13	375.73	8.32	-47.81
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013458179	0	53	-1.0	-47.46	397.52	9.51	-37.95
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013458180	0	53	-1.0	-53.82	392.22	8.93	-44.89
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCCCC(=O)[O-]	REAL300013458181	0	46	-1.0	-50.82	365.20	6.19	-44.63
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013458182	0	53	-1.0	-48.57	398.62	9.21	-39.36
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013458183	0	54	-1.0	-47.91	403.68	6.39	-41.52
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013458184	0	52	-1.0	-51.65	398.48	7.08	-44.57
CCC(CC)(CNC(=O)NC1=CC=C(C(=O)N2CCCC2)C=C1C)C(=O)[O-]	REAL300013458185	0	55	-1.0	-47.61	406.08	8.04	-39.57
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013458186	0	50	-1.0	-51.90	385.27	7.53	-44.37
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC(C)C(=O)[O-]	REAL300013458187	0	46	-1.0	-53.06	362.25	6.16	-46.90
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013458188	0	52	-1.0	-48.03	395.73	7.45	-40.58
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013458189	0	50	-1.0	-51.14	387.58	7.50	-43.64
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013458190	0	56	-1.0	-57.97	420.92	10.13	-47.84
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013458191	0	52	-1.0	-56.29	398.35	6.85	-49.44
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013458192	0	53	-1.0	-48.83	400.64	8.46	-40.37
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013458193	0	53	-1.0	-59.91	397.99	9.19	-50.72
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013458194	0	50	-1.0	-48.14	386.57	7.40	-40.74
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013458195	0	53	-1.0	-62.77	410.55	8.26	-54.51
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013458196	0	53	-1.0	-53.82	392.22	8.93	-44.89
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013458197	0	58	-1.0	-60.50	430.99	8.60	-51.90
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013458198	0	47	-1.0	-53.18	373.06	6.72	-46.46
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013458199	0	50	-1.0	-60.49	396.61	8.40	-52.09
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(C(=O)N3CCCC3)C=C2C)C1	REAL300013458200	0	54	-1.0	-59.04	415.45	7.36	-51.68
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013458201	0	47	-1.0	-51.85	371.67	6.80	-45.05
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013458202	0	55	-1.0	-52.89	419.61	5.90	-46.99
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013458203	0	50	-1.0	-55.60	379.05	8.65	-46.95
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013458204	0	50	-1.0	-56.19	380.21	8.71	-47.48
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013458205	0	47	-1.0	-52.05	371.89	6.76	-45.29
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013458206	0	47	-1.0	-52.75	371.22	6.80	-45.95
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013458207	0	50	-1.0	-57.71	402.96	8.29	-49.42
CCC(CNC(=O)NC1=CC=C(C(=O)N2CCCC2)C=C1C)C(=O)[O-]	REAL300013458208	0	49	-1.0	-49.99	384.19	6.86	-43.13
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013458209	0	56	-1.0	-62.25	412.97	10.03	-52.22
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013458210	0	58	-1.0	-55.40	451.19	9.32	-46.08
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013458211	0	55	-1.0	-55.92	429.69	8.54	-47.38
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N(C)CCCC(=O)[O-]	REAL300013458212	0	49	-1.0	-56.47	382.90	8.58	-47.89
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013458213	0	53	-1.0	-55.81	394.05	9.34	-46.47
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(C(=O)N2CCCC2)C=C1C	REAL300013458214	0	53	-1.0	-48.31	414.59	7.93	-40.38
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013458215	0	56	-1.0	-56.72	419.88	10.11	-46.61
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013458216	0	51	-1.0	-50.88	392.92	7.39	-43.49
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013458217	0	53	-1.0	-47.47	396.30	9.24	-38.23
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013458218	0	51	-1.0	-53.86	388.32	6.15	-47.71
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013458219	0	47	-1.0	-60.78	379.66	8.94	-51.84
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013458220	0	48	-1.0	-55.85	381.41	7.02	-48.83
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013458221	0	53	-1.0	-52.25	401.16	8.40	-43.85
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013458222	0	56	-1.0	-55.37	424.05	8.67	-46.70
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013458223	0	53	-1.0	-52.71	398.60	9.35	-43.36
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013458224	0	54	-1.0	-59.54	415.20	8.77	-50.77
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013458225	0	53	-1.0	-52.14	406.00	7.96	-44.18
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013458226	0	53	-1.0	-50.68	402.17	8.45	-42.23
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013458227	0	54	-1.0	-52.24	410.31	6.85	-45.39
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013458228	0	51	-1.0	-48.35	393.34	5.57	-42.78
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013458229	0	51	-1.0	-63.90	389.58	9.18	-54.72
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013458230	0	48	-1.0	-53.41	381.84	7.48	-45.93
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013458231	0	47	-1.0	-53.18	373.06	6.72	-46.46
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013458232	0	54	-1.0	-51.14	408.41	9.49	-41.65
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013458233	0	51	-1.0	-56.62	388.77	7.91	-48.71
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(C(=O)N3CCCC3)C=C2C)C1	REAL300013458234	0	54	-1.0	-54.10	414.03	7.67	-46.43
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013458235	0	47	-1.0	-59.13	365.99	7.75	-51.38
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013458236	0	48	-1.0	-56.22	382.61	7.49	-48.73
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013458237	0	56	-1.0	-52.31	409.40	9.37	-42.94
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC(C)CCC(=O)[O-]	REAL300013458238	0	49	-1.0	-50.73	384.95	7.19	-43.54
CCC(C)SC1=CC=C(NC(=O)N2CCC(C(=O)[O-])CC2)C(C)=C1	REAL300013458239	0	49	-1.0	-50.17	389.03	11.10	-39.07
CCC(C)SC1=CC=C(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(C)=C1	REAL300013458240	0	49	-1.0	-47.80	406.40	11.25	-36.55
CCC(C)SC1=CC=C(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300013458241	0	49	-1.0	-51.55	404.59	10.39	-41.16
CCC(C)SC1=CC=C(NC(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1	REAL300013458242	0	51	-1.0	-45.59	393.36	9.22	-36.37
CCC(C)SC1=CC=C(NC(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1	REAL300013458243	0	47	-1.0	-52.86	379.14	9.39	-43.47
CCC(C)SC1=CC=C(NC(=O)N(C)CCC(=O)[O-])C(C)=C1	REAL300013458244	0	45	-1.0	-51.96	362.53	9.80	-42.16
CCC(C)SC1=CC=C(NC(=O)NC2CCC(C(=O)[O-])CC2)C(C)=C1	REAL300013458245	0	52	-1.0	-52.82	413.85	10.32	-42.50
CCC(C)SC1=CC=C(NC(=O)NCCCCC(=O)[O-])C(C)=C1	REAL300013458246	0	48	-1.0	-51.22	388.32	9.06	-42.16
CCC(C)SC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300013458247	0	49	-1.0	-53.15	404.59	10.38	-42.77
CCC(C)SC1=CC=C(NC(=O)NCCC(=O)[O-])C(C)=C1	REAL300013458248	0	42	-1.0	-49.44	344.98	7.45	-41.99
CCC(C)SC1=CC=C(NC(=O)NCCCCCC(=O)[O-])C(C)=C1	REAL300013458249	0	51	-1.0	-49.94	409.82	9.84	-40.10
CCC(C)SC1=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C(C)=C1	REAL300013458250	0	46	-1.0	-47.58	373.07	5.74	-41.84
CCC(C)SC1=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C(C)=C1	REAL300013458251	0	48	-1.0	-51.64	380.77	8.94	-42.70
CCC(C)SC1=CC=C(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C(C)=C1	REAL300013458252	0	52	-1.0	-48.53	427.80	12.05	-36.48
CCC(C)SC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300013458253	0	49	-1.0	-48.79	386.51	10.44	-38.35
CCC(C)SC1=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C(C)=C1	REAL300013458254	0	48	-1.0	-54.63	377.67	10.38	-44.25
CCC(C)SC1=CC=C(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C(C)=C1	REAL300013458255	0	52	-1.0	-42.92	397.39	11.59	-31.33
CCC(C)SC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(C)=C1	REAL300013458256	0	52	-1.0	-49.52	399.88	11.24	-38.28
CCC(C)SC1=CC=C(NC(=O)NCCCC(=O)[O-])C(C)=C1	REAL300013458257	0	45	-1.0	-47.04	366.82	8.28	-38.76
CCC(C)SC1=CC=C(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C(C)=C1	REAL300013458258	0	52	-1.0	-43.83	405.98	11.50	-32.33
CCC(C)SC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOCC2)C(C)=C1	REAL300013458259	0	53	-1.0	-44.87	413.17	8.73	-36.14
CCC(C)SC1=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C(C)=C1	REAL300013458260	0	51	-1.0	-47.59	399.76	9.13	-38.46
CCC(C)SC1=CC=C(NC(=O)NCC(CC)(CC)C(=O)[O-])C(C)=C1	REAL300013458261	0	54	-1.0	-45.01	407.70	10.13	-34.88
CCC(C)SC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCC2)C(C)=C1	REAL300013458262	0	49	-1.0	-48.48	387.35	9.78	-38.70
CCC(C)SC1=CC=C(NC(=O)NCC(C)C(=O)[O-])C(C)=C1	REAL300013458263	0	45	-1.0	-50.41	363.52	8.21	-42.20
CCC(C)SC1=CC=C(NC(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1	REAL300013458264	0	51	-1.0	-46.95	402.26	9.39	-37.56
CCC(C)SC1=CC=C(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)=C1	REAL300013458265	0	58	-1.0	-55.36	441.33	10.88	-44.48
CCC(C)SC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300013458266	0	49	-1.0	-46.85	388.10	9.53	-37.32
CCC(C)SC1=CC=C(NC(=O)N2CCC(CCC(=O)[O-])CC2)C(C)=C1	REAL300013458267	0	55	-1.0	-50.21	428.34	12.48	-37.73
CCC(C)SC1=CC=C(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300013458268	0	51	-1.0	-47.64	398.10	9.03	-38.61
CCC(C)SC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCC2)C(C)=C1	REAL300013458269	0	52	-1.0	-46.56	406.29	10.39	-36.17
CCC(C)SC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C(C)=C1	REAL300013458270	0	52	-1.0	-47.56	399.21	11.65	-35.91
CCC(C)SC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCC2)C(C)=C1	REAL300013458271	0	49	-1.0	-45.01	388.31	9.69	-35.32
CCC(C)SC1=CC=C(NC(=O)NCC(CC(=O)[O-])C2CC2)C(C)=C1	REAL300013458272	0	52	-1.0	-52.43	419.33	10.58	-41.85
CCC(C)SC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(C)=C1	REAL300013458273	0	52	-1.0	-49.52	399.88	11.24	-38.28
CCC(C)SC1=CC=C(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)=C1	REAL300013458274	0	57	-1.0	-50.65	439.78	10.94	-39.71
CCC(C)SC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C(C)=C1	REAL300013458275	0	46	-1.0	-44.01	373.48	9.28	-34.73
CCC(C)SC1=CC=C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300013458276	0	49	-1.0	-52.21	406.11	10.73	-41.48
CCC(C)SC1=CC=C(NC(=O)N2CCC(COC)(C(=O)[O-])C2)C(C)=C1	REAL300013458277	0	53	-1.0	-55.11	425.10	9.72	-45.39
CCC(C)SC1=CC=C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300013458278	0	46	-1.0	-47.71	372.59	8.84	-38.87
CCC(C)SC1=CC=C(NC(=O)NC2CCN(CC(=O)[O-])CC2)C(C)=C1	REAL300013458279	0	54	-1.0	-48.34	420.75	7.94	-40.40
CCC(C)SC1=CC=C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300013458280	0	49	-1.0	-53.18	380.72	10.74	-42.44
CCC(C)SC1=CC=C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300013458281	0	49	-1.0	-53.46	381.92	10.81	-42.65
CCC(C)SC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C2)C(C)=C1	REAL300013458282	0	46	-1.0	-47.78	373.29	8.89	-38.89
CCC(C)SC1=CC=C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=C1	REAL300013458283	0	46	-1.0	-48.80	372.15	8.88	-39.92
CCC(C)SC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300013458284	0	49	-1.0	-53.15	404.59	10.38	-42.77
CCC(C)SC1=CC=C(NC(=O)NCC(CC)C(=O)[O-])C(C)=C1	REAL300013458285	0	48	-1.0	-45.26	380.09	9.08	-36.18
CCC(C)SC1=CC=C(NC(=O)N2CCCCC2CCC(=O)[O-])C(C)=C1	REAL300013458286	0	55	-1.0	-61.55	415.37	12.15	-49.40
CCC(C)SC1=CC=C(NC(=O)NCCCCCCCC(=O)[O-])C(C)=C1	REAL300013458287	0	57	-1.0	-51.10	452.82	11.41	-39.69
CCC(C)SC1=CC=C(NC(=O)NCCCCCCC(=O)[O-])C(C)=C1	REAL300013458288	0	54	-1.0	-51.96	431.32	10.62	-41.34
CCC(C)SC1=CC=C(NC(=O)N(C)CCCC(=O)[O-])C(C)=C1	REAL300013458289	0	48	-1.0	-53.76	384.03	10.61	-43.15
CCC(C)SC1=CC=C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300013458290	0	52	-1.0	-53.40	395.10	11.40	-42.00
CCC(C)SC1=CC=C(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)C(C)=C1	REAL300013458291	0	56	-1.0	-56.04	426.19	11.22	-44.82
CCC(C)SC1=CC=C(NC(=O)N(CCOC)CCC(=O)[O-])C(C)=C1	REAL300013458292	0	52	-1.0	-43.76	416.20	10.01	-33.75
CCC(C)SC1=CC=C(NC(=O)N2CCCC(CCC(=O)[O-])C2)C(C)=C1	REAL300013458293	0	55	-1.0	-53.59	427.34	12.38	-41.21
CCC(C)SC1=CC=C(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C(C)=C1	REAL300013458294	0	53	-1.0	-60.44	418.74	13.54	-46.90
CCC(C)SC1=CC=C(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C(C)=C1	REAL300013458295	0	50	-1.0	-43.87	400.75	9.74	-34.13
CCC(C)SC1=CC=C(NC(=O)N2CC(C(=O)[O-])CCC2C)C(C)=C1	REAL300013458296	0	52	-1.0	-43.27	403.58	11.58	-31.69
CCC(C)SC1=CC=C(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C(C)=C1	REAL300013458297	0	50	-1.0	-51.07	389.40	8.23	-42.84
CCC(C)SC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C(C)=C1	REAL300013458298	0	53	-1.0	-47.94	422.79	11.38	-36.56
CCC(C)SC1=CC=C(NC(=O)NC2=CN(CC(=O)[O-])C=N2)C(C)=C1	REAL300013458299	0	46	-1.0	-50.00	382.29	11.06	-38.94
CCC(C)SC1=CC=C(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)C(C)=C1	REAL300013458300	0	56	-1.0	-53.30	424.83	10.93	-42.37
CCC(C)SC1=CC=C(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)=C1	REAL300013458301	0	47	-1.0	-52.74	381.90	9.06	-43.68
CCC(C)SC1=CC=C(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C(C)=C1	REAL300013458302	0	58	-1.0	-54.28	428.12	11.10	-43.18
CCC(C)SC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(C)=C1	REAL300013458303	0	52	-1.0	-48.18	402.82	10.49	-37.69
CCC(C)SC1=CC=C(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C(C)=C1	REAL300013458304	0	55	-1.0	-50.78	425.66	10.77	-40.01
CCC(C)SC1=CC=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C(C)=C1	REAL300013458305	0	52	-1.0	-45.18	406.03	11.70	-33.48
CCC(C)SC1=CC=C(NC(=O)N2CCC(OCC(=O)[O-])CC2)C(C)=C1	REAL300013458306	0	53	-1.0	-51.82	422.63	11.13	-40.69
CCC(C)SC1=CC=C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300013458307	0	52	-1.0	-48.24	414.57	10.30	-37.94
CCC(C)SC1=CC=C(NC(=O)NC2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300013458308	0	52	-1.0	-46.52	403.80	10.54	-35.98
CCC(C)SC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCOC2)C(C)=C1	REAL300013458309	0	53	-1.0	-49.31	411.99	8.93	-40.38
CCC(C)SC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOC2)C(C)=C1	REAL300013458310	0	50	-1.0	-45.20	394.97	7.67	-37.53
CCC(C)SC1=CC=C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)C(C)=C1	REAL300013458311	0	50	-1.0	-63.27	389.97	11.25	-52.02
CCC(C)SC1=CC=C(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300013458312	0	47	-1.0	-49.16	383.48	9.57	-39.59
CCC(C)SC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C(C)=C1	REAL300013458313	0	46	-1.0	-44.01	373.48	9.28	-34.73
CCC(C)SC1=CC=C(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(C)=C1	REAL300013458314	0	53	-1.0	-43.47	417.05	11.79	-31.68
CCC(C)SC1=CC=C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C(C)=C1	REAL300013458315	0	50	-1.0	-53.05	394.83	10.20	-42.85
CCC(C)SC1=CC=C(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)C(C)=C1	REAL300013458316	0	53	-1.0	-51.14	412.53	9.67	-41.47
CCC(C)SC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C2)C(C)=C1	REAL300013458317	0	46	-1.0	-49.33	375.48	10.10	-39.23
CCC(C)SC1=CC=C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300013458318	0	47	-1.0	-52.53	384.13	9.63	-42.90
CCC(C)SC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCCCC2)C(C)=C1	REAL300013458319	0	55	-1.0	-49.17	411.46	11.48	-37.69
CCC(C)SC1=CC=C(NC(=O)NC(C)CCC(=O)[O-])C(C)=C1	REAL300013458320	0	48	-1.0	-46.61	386.58	9.28	-37.33
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013458321	0	46	-1.0	-51.52	373.77	8.11	-43.41
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013458322	0	46	-1.0	-50.25	393.55	8.38	-41.87
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013458323	0	46	-1.0	-53.52	397.61	7.69	-45.83
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013458324	0	48	-1.0	-48.00	386.38	6.53	-41.47
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013458325	0	44	-1.0	-53.77	366.28	6.56	-47.21
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N(C)CCC(=O)[O-]	REAL300013458326	0	42	-1.0	-53.41	356.81	7.27	-46.14
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013458327	0	49	-1.0	-54.18	401.13	7.48	-46.70
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCCCCC(=O)[O-]	REAL300013458328	0	45	-1.0	-52.53	381.34	6.37	-46.16
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013458329	0	46	-1.0	-55.43	397.61	7.68	-47.75
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCCC(=O)[O-]	REAL300013458330	0	39	-1.0	-50.85	338.34	4.79	-46.06
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013458331	0	48	-1.0	-51.56	402.84	7.15	-44.41
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013458332	0	43	-1.0	-49.07	366.44	3.09	-45.98
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013458333	0	45	-1.0	-52.46	373.78	6.25	-46.21
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013458334	0	46	-1.0	-49.02	376.60	7.66	-41.36
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N(C)CC(C)C(=O)[O-]	REAL300013458335	0	45	-1.0	-55.33	371.14	7.81	-47.52
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013458336	0	49	-1.0	-48.37	390.62	8.90	-39.47
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013458337	0	49	-1.0	-51.49	386.59	8.37	-43.12
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCCCC(=O)[O-]	REAL300013458338	0	42	-1.0	-49.15	359.84	5.58	-43.57
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013458339	0	49	-1.0	-49.40	393.00	8.65	-40.75
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013458340	0	50	-1.0	-49.28	398.05	5.86	-43.42
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013458341	0	48	-1.0	-49.85	393.13	6.47	-43.38
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013458342	0	51	-1.0	-48.96	400.73	7.43	-41.53
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013458343	0	46	-1.0	-51.78	379.63	7.12	-44.66
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC(C)C(=O)[O-]	REAL300013458344	0	42	-1.0	-51.75	357.70	5.58	-46.17
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013458345	0	48	-1.0	-51.36	395.63	6.73	-44.63
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013458346	0	46	-1.0	-48.82	381.26	6.84	-41.98
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013458347	0	52	-1.0	-51.55	413.08	9.50	-42.05
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013458348	0	48	-1.0	-48.66	390.86	6.42	-42.24
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013458349	0	49	-1.0	-50.16	398.30	7.64	-42.52
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013458350	0	49	-1.0	-49.88	386.57	8.85	-41.03
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013458351	0	46	-1.0	-48.84	380.31	6.95	-41.89
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013458352	0	49	-1.0	-53.98	405.17	7.56	-46.42
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013458353	0	49	-1.0	-51.49	386.59	8.37	-43.12
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013458354	0	54	-1.0	-53.73	426.11	8.09	-45.64
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013458355	0	43	-1.0	-48.32	365.49	6.52	-41.80
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013458356	0	46	-1.0	-56.38	390.97	7.87	-48.51
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O=C([O-])C1=CC=C(CNC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C=C1	REAL300013477098	0	37	-1.0	-52.93	344.76	6.59	-46.34
CC(C)(CCC(=O)[O-])NC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477099	0	39	-1.0	-46.80	333.82	5.38	-41.42
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CN(CCC(=O)[O-])C(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477101	0	33	-1.0	-51.82	303.08	6.05	-45.77
O=C([O-])C1CCC(NC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CC1	REAL300013477102	0	40	-1.0	-49.37	341.63	6.65	-42.72
O=C([O-])CCCCNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477103	0	36	-1.0	-51.98	328.78	5.22	-46.76
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)=CC=C1	REAL300013477104	0	37	-1.0	-54.39	345.04	6.54	-47.85
O=C([O-])CCNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477105	0	30	-1.0	-49.67	285.78	3.65	-46.02
O=C([O-])CCCCCNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477106	0	39	-1.0	-50.99	350.27	6.00	-44.99
CC(O)(CNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C(=O)[O-]	REAL300013477107	0	34	-1.0	-47.78	314.28	1.99	-45.79
CC(C)(CNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C(=O)[O-]	REAL300013477108	0	36	-1.0	-51.72	321.22	5.10	-46.62
O=C([O-])CCC1=CC=CC(NC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)=C1	REAL300013477109	0	40	-1.0	-49.71	362.24	8.05	-41.66
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477110	0	37	-1.0	-49.96	328.11	6.50	-43.46
CC(CN(C)C(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C(=O)[O-]	REAL300013477111	0	36	-1.0	-50.12	316.55	6.30	-43.82
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477112	0	40	-1.0	-44.63	342.58	7.51	-37.12
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CC1	REAL300013477113	0	40	-1.0	-51.15	334.51	7.17	-43.98
O=C([O-])CCCNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477114	0	33	-1.0	-47.95	307.28	4.44	-43.51
CC1CCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CC1C(=O)[O-]	REAL300013477115	0	40	-1.0	-52.65	337.27	7.36	-45.29
O=C([O-])C1(CNC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CCOCC1	REAL300013477116	0	41	-1.0	-46.37	347.36	4.60	-41.77
CC(C)(CCNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C(=O)[O-]	REAL300013477117	0	39	-1.0	-48.73	339.98	5.32	-43.41
CCC(CC)(CNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C(=O)[O-]	REAL300013477118	0	42	-1.0	-46.83	351.76	6.36	-40.47
O=C([O-])CC1(NC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CCC1	REAL300013477119	0	37	-1.0	-48.43	326.85	5.93	-42.50
CC(CNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C(=O)[O-]	REAL300013477120	0	33	-1.0	-50.17	303.45	4.39	-45.78
CC(C)C(CNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C(=O)[O-]	REAL300013477121	0	39	-1.0	-46.03	336.40	5.72	-40.31
CC(NC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013477122	0	46	-1.0	-55.54	383.28	7.47	-48.07
CC(CNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013477123	0	43	-1.0	-47.32	372.24	7.96	-39.36
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477124	0	37	-1.0	-48.09	328.71	5.72	-42.37
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O=C([O-])C1(CNC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CCCC1	REAL300013477127	0	40	-1.0	-47.01	345.73	6.49	-40.52
CC1CN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CCC1C(=O)[O-]	REAL300013477128	0	40	-1.0	-48.78	332.80	7.68	-41.10
O=C([O-])C1(CNC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CCC1	REAL300013477129	0	37	-1.0	-45.60	327.75	5.79	-39.81
O=C([O-])CC(CNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C1CC1	REAL300013477130	0	40	-1.0	-52.46	353.28	6.51	-45.95
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CC1	REAL300013477131	0	40	-1.0	-51.15	334.51	7.17	-43.98
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COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477135	0	41	-1.0	-55.46	356.66	6.14	-49.32
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O=C([O-])[C@H]1CCCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477139	0	37	-1.0	-45.63	322.60	6.95	-38.68
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O=C([O-])[C@H]1C[C@H](NC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477141	0	34	-1.0	-49.51	312.29	5.08	-44.43
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CCC(CNC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C(=O)[O-]	REAL300013477143	0	36	-1.0	-45.56	321.10	5.32	-40.24
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CN(CCCC(=O)[O-])C(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477147	0	36	-1.0	-53.96	324.57	6.86	-47.10
CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477148	0	40	-1.0	-53.31	336.64	7.65	-45.66
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477149	0	44	-1.0	-57.05	368.78	6.82	-50.23
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477150	0	40	-1.0	-45.87	356.53	6.19	-39.68
O=C([O-])CCC1CCCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477151	0	43	-1.0	-53.89	362.13	8.38	-45.51
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CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477154	0	40	-1.0	-44.67	336.70	7.52	-37.15
O=C([O-])C1(O)CCCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477155	0	38	-1.0	-51.27	331.39	4.49	-46.78
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O=C([O-])CN1C=NC(NC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)=C1	REAL300013477157	0	34	-1.0	-50.31	321.74	7.17	-43.14
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CC1	REAL300013477158	0	44	-1.0	-53.85	365.19	7.14	-46.71
O=C([O-])C12CC(NC(=O)NC3=CC=C(Cl)C(OC(F)F)=C3)(C1)C2	REAL300013477159	0	35	-1.0	-53.13	322.51	5.23	-47.90
O=C([O-])CC1(CNC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CCCCC1	REAL300013477160	0	46	-1.0	-50.84	367.67	7.23	-43.61
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CC1	REAL300013477161	0	40	-1.0	-49.37	341.64	6.64	-42.73
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CC1	REAL300013477162	0	43	-1.0	-52.11	366.11	6.92	-45.19
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O=C([O-])C1(CNC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CCOC1	REAL300013477168	0	38	-1.0	-46.20	334.41	3.78	-42.42
O=C([O-])C1CC2CCC1N2C(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477169	0	38	-1.0	-61.07	330.49	7.41	-53.66
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O=C([O-])C1CN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CC12CCC2	REAL300013477172	0	41	-1.0	-45.57	349.93	7.78	-37.79
CC1(C(=O)[O-])CN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CCO1	REAL300013477173	0	38	-1.0	-53.18	329.46	6.20	-46.98
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477174	0	41	-1.0	-55.61	352.87	5.99	-49.62
O=C([O-])C1CCN(C(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300013477175	0	34	-1.0	-49.46	308.13	6.04	-43.42
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CC(CCC(=O)[O-])NC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013477178	0	36	-1.0	-47.59	326.75	5.48	-42.11
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CC(C)(CCC(=O)[O-])NC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1	REAL300013477182	0	43	-1.0	-54.01	359.60	7.95	-46.06
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013477183	0	39	-1.0	-57.99	339.86	7.92	-50.07
CN(CCC(=O)[O-])C(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1	REAL300013477184	0	37	-1.0	-56.95	329.19	8.58	-48.37
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013477185	0	44	-1.0	-58.68	373.46	8.80	-49.88
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCCCCC(=O)[O-])=N1	REAL300013477186	0	40	-1.0	-57.60	354.56	7.80	-49.80
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013477187	0	41	-1.0	-62.14	370.83	9.12	-53.02
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCCC(=O)[O-])=N1	REAL300013477188	0	34	-1.0	-55.47	311.57	6.23	-49.24
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCCCCCC(=O)[O-])=N1	REAL300013477189	0	43	-1.0	-57.50	376.06	8.58	-48.92
CC(O)(CNC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1)C(=O)[O-]	REAL300013477190	0	38	-1.0	-53.88	340.07	4.57	-49.31
CC(C)(CNC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1)C(=O)[O-]	REAL300013477191	0	40	-1.0	-56.83	346.42	7.70	-49.13
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013477192	0	44	-1.0	-56.50	388.57	10.55	-45.95
CC1(C(=O)[O-])CCN(C(=O)NC2=NN(C3=CC=C(F)C=C3C#N)C=C2)C1	REAL300013477193	0	41	-1.0	-60.96	351.06	9.12	-51.84
CC(CN(C)C(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1)C(=O)[O-]	REAL300013477194	0	40	-1.0	-58.90	344.33	9.16	-49.74
CC1CC(C(=O)[O-])CN(C(=O)NC2=NN(C3=CC=C(F)C=C3C#N)C=C2)C1	REAL300013477195	0	44	-1.0	-57.24	368.58	10.05	-47.19
CC1(C(=O)[O-])CCN(C(=O)NC2=NN(C3=CC=C(F)C=C3C#N)C=C2)CC1	REAL300013477196	0	44	-1.0	-58.52	360.22	9.72	-48.80
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCCCC(=O)[O-])=N1	REAL300013477197	0	37	-1.0	-55.17	333.06	7.02	-48.15
CC1CCN(C(=O)NC2=NN(C3=CC=C(F)C=C3C#N)C=C2)CC1C(=O)[O-]	REAL300013477198	0	44	-1.0	-56.70	363.00	9.89	-46.81
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013477199	0	45	-1.0	-55.85	373.15	7.19	-48.66
CC(C)(CCNC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1)C(=O)[O-]	REAL300013477200	0	43	-1.0	-56.05	366.35	7.91	-48.14
CCC(CC)(CNC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1)C(=O)[O-]	REAL300013477201	0	46	-1.0	-57.11	378.66	8.70	-48.41
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013477202	0	41	-1.0	-57.32	353.01	8.45	-48.87
CC(CNC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1)C(=O)[O-]	REAL300013477203	0	37	-1.0	-56.13	330.11	6.98	-49.15
CC(C)C(CNC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1)C(=O)[O-]	REAL300013477204	0	43	-1.0	-54.85	363.59	8.28	-46.57
CC(NC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013477205	0	50	-1.0	-61.06	405.90	9.57	-51.49
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013477206	0	41	-1.0	-55.83	355.12	8.24	-47.59
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013477207	0	47	-1.0	-58.41	387.60	10.94	-47.47
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013477208	0	43	-1.0	-53.38	364.36	7.78	-45.60
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013477209	0	44	-1.0	-56.87	371.52	9.07	-47.80
CC1CN(C(=O)NC2=NN(C3=CC=C(F)C=C3C#N)C=C2)CCC1C(=O)[O-]	REAL300013477210	0	44	-1.0	-56.83	360.17	10.20	-46.63
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013477211	0	41	-1.0	-55.85	353.54	8.37	-47.48
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013477212	0	44	-1.0	-58.06	378.57	9.00	-49.06
CC1(C(=O)[O-])CCN(C(=O)NC2=NN(C3=CC=C(F)C=C3C#N)C=C2)CC1	REAL300013477213	0	44	-1.0	-58.52	360.22	9.72	-48.80
CC(C)C[C@H](CNC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1)CC(=O)[O-]	REAL300013477214	0	49	-1.0	-58.51	399.55	9.45	-49.06
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013477215	0	38	-1.0	-55.56	338.70	7.96	-47.60
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013477216	0	41	-1.0	-62.21	364.43	9.24	-52.97
COCC1(C(=O)[O-])CCN(C(=O)NC2=NN(C3=CC=C(F)C=C3C#N)C=C2)C1	REAL300013477217	0	45	-1.0	-62.14	384.80	8.16	-53.98
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013477218	0	38	-1.0	-56.12	338.14	7.58	-48.54
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)=N1	REAL300013477219	0	46	-1.0	-55.83	386.56	6.65	-49.18
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013477220	0	41	-1.0	-57.64	347.07	9.46	-48.18
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013477221	0	41	-1.0	-57.87	347.59	9.49	-48.38
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013477222	0	38	-1.0	-56.07	338.53	7.58	-48.49
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013477223	0	38	-1.0	-56.46	338.09	7.63	-48.83
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013477224	0	41	-1.0	-62.14	370.83	9.12	-53.02
CCC(CNC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1)C(=O)[O-]	REAL300013477225	0	40	-1.0	-54.54	347.05	7.80	-46.74
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013477226	0	47	-1.0	-62.99	380.93	10.85	-52.14
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013477227	0	49	-1.0	-58.23	419.06	10.15	-48.08
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCCCCCCC(=O)[O-])=N1	REAL300013477228	0	46	-1.0	-58.44	397.56	9.36	-49.08
CN(CCCC(=O)[O-])C(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1	REAL300013477229	0	40	-1.0	-59.94	350.69	9.38	-50.56
CC1(C(=O)[O-])CCCN(C(=O)NC2=NN(C3=CC=C(F)C=C3C#N)C=C2)C1	REAL300013477230	0	44	-1.0	-57.86	362.87	10.22	-47.64
COCCN(CCC(=O)[O-])C(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1	REAL300013477231	0	44	-1.0	-59.80	382.39	8.74	-51.06
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013477232	0	47	-1.0	-58.33	387.90	10.90	-47.43
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013477233	0	42	-1.0	-53.25	360.10	8.25	-45.00
CC1CCC(C(=O)[O-])CN1C(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1	REAL300013477234	0	44	-1.0	-57.52	362.81	10.06	-47.46
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013477235	0	42	-1.0	-56.48	357.21	7.02	-49.46
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013477236	0	38	-1.0	-55.51	347.53	9.75	-45.76
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013477237	0	39	-1.0	-57.83	348.28	7.81	-50.02
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013477238	0	50	-1.0	-58.94	394.47	9.78	-49.16
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013477239	0	44	-1.0	-58.84	369.03	9.23	-49.61
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013477240	0	47	-1.0	-59.14	391.89	9.50	-49.64
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013477241	0	44	-1.0	-55.75	365.29	10.16	-45.59
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013477242	0	45	-1.0	-59.77	381.89	9.58	-50.19
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013477243	0	44	-1.0	-56.45	373.46	8.80	-47.65
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013477244	0	44	-1.0	-55.90	368.50	9.21	-46.69
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013477245	0	45	-1.0	-55.04	375.40	7.39	-47.65
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013477246	0	42	-1.0	-55.81	360.21	6.35	-49.46
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013477247	0	42	-1.0	-67.03	356.62	10.00	-57.03
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013477248	0	39	-1.0	-58.75	349.98	8.30	-50.45
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013477249	0	38	-1.0	-55.56	338.70	7.96	-47.60
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013477250	0	45	-1.0	-55.33	375.30	10.28	-45.05
CC1(C(=O)[O-])CN(C(=O)NC2=NN(C3=CC=C(F)C=C3C#N)C=C2)CCO1	REAL300013477251	0	42	-1.0	-58.21	355.45	8.72	-49.49
COC1CC(C(=O)[O-])CN(C(=O)NC2=NN(C3=CC=C(F)C=C3C#N)C=C2)C1	REAL300013477252	0	45	-1.0	-56.12	380.31	8.44	-47.68
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013477253	0	38	-1.0	-55.34	333.82	8.57	-46.77
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013477254	0	39	-1.0	-58.79	348.95	8.32	-50.47
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013477255	0	47	-1.0	-57.86	377.23	10.20	-47.66
CC(CCC(=O)[O-])NC(=O)NC1=NN(C2=CC=C(F)C=C2C#N)C=C1	REAL300013477256	0	40	-1.0	-55.63	352.82	8.02	-47.61
CC1=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=NC(Cl)=C1Br	REAL300013493001	0	37	-1.0	-47.47	330.71	5.13	-42.34
CCC(CC)(CNC(=O)NC1=CN=C(Cl)C(Br)=C1C)C(=O)[O-]	REAL300013493002	0	40	-1.0	-42.57	340.36	6.26	-36.31
CC1=C(NC(=O)NC2(CC(=O)[O-])CCC2)C=NC(Cl)=C1Br	REAL300013493003	0	35	-1.0	-45.02	318.75	5.79	-39.23
CC1=C(NC(=O)NCC(C)C(=O)[O-])C=NC(Cl)=C1Br	REAL300013493004	0	31	-1.0	-49.41	294.18	4.20	-45.21
CC1=C(NC(=O)NCC(C(=O)[O-])C(C)C)C=NC(Cl)=C1Br	REAL300013493005	0	37	-1.0	-42.22	327.20	5.55	-36.67
CC1=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493006	0	35	-1.0	-46.65	319.43	5.53	-41.12
CC1=C(NC(=O)NCC2(C(=O)[O-])CCCC2)C=NC(Cl)=C1Br	REAL300013493007	0	38	-1.0	-43.41	333.46	6.52	-36.89
CC1=C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C=NC(Cl)=C1Br	REAL300013493008	0	38	-1.0	-48.23	324.81	7.47	-40.76
CC1=C(NC(=O)NCC2(C(=O)[O-])CCC2)C=NC(Cl)=C1Br	REAL300013493009	0	35	-1.0	-41.52	319.39	5.46	-36.06
CC1=C(NC(=O)NCC(CC(=O)[O-])C2CC2)C=NC(Cl)=C1Br	REAL300013493010	0	38	-1.0	-51.63	343.34	6.32	-45.31
CC1=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=NC(Cl)=C1Br	REAL300013493011	0	38	-1.0	-49.26	326.10	7.01	-42.25
CC1=C(NC(=O)NCC2(C(=O)[O-])CC2)C=NC(Cl)=C1Br	REAL300013493012	0	32	-1.0	-40.56	303.69	5.20	-35.36
CC1=C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C=NC(Cl)=C1Br	REAL300013493013	0	35	-1.0	-50.03	329.43	6.46	-43.57
CC1=C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493014	0	32	-1.0	-47.13	303.51	4.82	-42.31
CC1=C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493015	0	35	-1.0	-52.57	311.67	6.72	-45.85
CC1=C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493016	0	35	-1.0	-41.30	312.87	6.79	-34.51
CC1=C(NC(=O)NC2CC(C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493017	0	32	-1.0	-47.32	303.09	4.81	-42.51
CC1=C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493018	0	32	-1.0	-48.77	303.36	4.85	-43.92
CC1=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=NC(Cl)=C1Br	REAL300013493019	0	35	-1.0	-52.84	335.78	6.35	-46.49
CCC(CNC(=O)NC1=CN=C(Cl)C(Br)=C1C)C(=O)[O-]	REAL300013493020	0	34	-1.0	-41.86	311.88	5.11	-36.75
CC1=C(NC(=O)NCCCCCCC(=O)[O-])C=NC(Cl)=C1Br	REAL300013493021	0	40	-1.0	-52.65	362.50	6.60	-46.05
CC1=C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493022	0	38	-1.0	-53.41	328.88	7.50	-45.91
CC1=C(NC(=O)N2CC(C(=O)[O-])CCC2C)C=NC(Cl)=C1Br	REAL300013493023	0	38	-1.0	-41.21	328.81	7.36	-33.85
CC1=C(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493024	0	36	-1.0	-50.65	320.86	4.24	-46.41
CC1=C(NC(=O)NC2=CN(CC(=O)[O-])C=N2)C=NC(Cl)=C1Br	REAL300013493025	0	32	-1.0	-49.94	312.50	6.99	-42.95
CC1=C(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C=NC(Cl)=C1Br	REAL300013493026	0	33	-1.0	-53.35	313.19	5.04	-48.31
CC1=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=NC(Cl)=C1Br	REAL300013493027	0	38	-1.0	-47.29	332.65	6.42	-40.87
CC1=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C=NC(Cl)=C1Br	REAL300013493028	0	38	-1.0	-49.77	331.17	7.45	-42.32
CC1=C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493029	0	38	-1.0	-47.89	337.87	6.02	-41.87
CC1=C(NC(=O)NC2CCCC(C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493030	0	38	-1.0	-45.79	333.44	6.44	-39.35
CC1=C(NC(=O)NCC2(C(=O)[O-])CCOC2)C=NC(Cl)=C1Br	REAL300013493031	0	36	-1.0	-43.12	325.17	3.60	-39.52
CC1=C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)C=NC(Cl)=C1Br	REAL300013493032	0	36	-1.0	-58.34	322.57	7.29	-51.05
CC1=C(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=NC(Cl)=C1Br	REAL300013493033	0	33	-1.0	-48.17	314.70	5.55	-42.62
CC1=C(NC(=O)NCC2(C(=O)[O-])CC2)C=NC(Cl)=C1Br	REAL300013493034	0	32	-1.0	-40.56	303.69	5.20	-35.36
CC1=C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493035	0	36	-1.0	-52.82	319.53	5.97	-46.85
CC1=C(NC(=O)N2CCC(C(=O)[O-])C2)C=NC(Cl)=C1Br	REAL300013493036	0	32	-1.0	-48.31	299.14	5.81	-42.50
CC1=C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=NC(Cl)=C1Br	REAL300013493037	0	33	-1.0	-52.59	314.20	5.55	-47.04
CC1=C(NC(=O)NC(C)CCC(=O)[O-])C=NC(Cl)=C1Br	REAL300013493038	0	34	-1.0	-46.45	317.76	5.25	-41.20
CSCC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013493039	0	40	-1.0	-51.22	329.53	8.94	-42.28
CSCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013493040	0	40	-1.0	-55.80	347.95	9.14	-46.66
CSCC1=CC=CC=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013493041	0	40	-1.0	-51.69	352.02	8.51	-43.18
CSCC1=CC=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013493042	0	42	-1.0	-45.89	340.80	7.34	-38.55
CSCC1=CC=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013493043	0	38	-1.0	-46.25	321.15	7.32	-38.93
CSCC1=CC=CC=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013493044	0	43	-1.0	-52.85	354.66	8.19	-44.66
CSCC1=CC=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013493045	0	40	-1.0	-52.89	352.03	8.50	-44.39
CSCC1=CC=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013493046	0	42	-1.0	-50.08	357.26	7.97	-42.11
CSCC1=CC=CC=C1NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013493047	0	50	-1.0	-49.35	400.52	11.98	-37.37
CSCC1=CC=CC=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013493048	0	43	-1.0	-56.17	369.35	9.95	-46.22
CSCC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013493049	0	40	-1.0	-56.54	333.19	8.55	-47.99
CSCC1=CC=CC=C1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013493050	0	43	-1.0	-43.63	346.15	9.77	-33.86
CSCC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013493051	0	43	-1.0	-48.89	341.34	9.10	-39.79
CSCC1=CC=CC=C1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013493052	0	43	-1.0	-46.25	347.44	9.42	-36.83
CSCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013493053	0	44	-1.0	-46.97	352.73	6.60	-40.37
CSCC1=CC=CC=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013493054	0	42	-1.0	-47.88	347.55	7.29	-40.59
CCC(CC)(CNC(=O)NC1=CC=CC=C1CSC)C(=O)[O-]	REAL300013493055	0	45	-1.0	-45.61	356.34	8.41	-37.20
CSCC1=CC=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013493056	0	40	-1.0	-52.29	333.36	7.82	-44.47
CSCC1=CC=CC=C1NC(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013493057	0	51	-1.0	-51.55	407.02	9.64	-41.91
CSCC1=CC=CC=C1NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013493058	0	42	-1.0	-49.23	350.05	7.57	-41.66
CSCC1=CC=CC=C1NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013493059	0	49	-1.0	-55.76	387.98	9.02	-46.74
CSCC1=CC=CC=C1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013493060	0	46	-1.0	-47.59	377.76	9.97	-37.62
CSCC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013493061	0	40	-1.0	-47.30	335.63	7.67	-39.63
CSCC1=CC=CC=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013493062	0	46	-1.0	-50.98	368.84	10.32	-40.66
CSCC1=CC=CC=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013493063	0	42	-1.0	-55.52	347.04	7.09	-48.43
CSCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013493064	0	43	-1.0	-48.87	352.71	8.46	-40.41
CSCC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013493065	0	43	-1.0	-47.30	341.31	9.60	-37.70
CSCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013493066	0	40	-1.0	-47.27	334.70	7.76	-39.51
CSCC1=CC=CC=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013493067	0	43	-1.0	-53.15	359.79	8.45	-44.70
CSCC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013493068	0	43	-1.0	-48.89	341.34	9.10	-39.79
CSCC1=CC=CC=C1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013493069	0	48	-1.0	-52.16	380.40	8.77	-43.39
CSCC1=CC=CC=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013493070	0	40	-1.0	-53.40	345.66	8.59	-44.81
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2CSC)C1	REAL300013493071	0	44	-1.0	-56.20	367.03	7.61	-48.59
CSCC1=CC=CC=C1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013493072	0	45	-1.0	-48.10	367.20	5.99	-42.11
CSCC1=CC=CC=C1NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013493073	0	50	-1.0	-48.31	412.38	10.21	-38.10
CSCC1=CC=CC=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013493074	0	40	-1.0	-52.95	327.91	8.88	-44.07
CSCC1=CC=CC=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013493075	0	40	-1.0	-45.48	329.10	8.93	-36.55
CSCC1=CC=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013493076	0	40	-1.0	-52.89	352.03	8.50	-44.39
COC(=O)C1CC2(C1)CN(C(=O)NC1=CC=CC=C1CSC)CC2C(=O)[O-]	REAL300013493077	0	50	-1.0	-48.80	412.34	10.41	-38.39
CSCC1=CC=CC=C1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013493078	0	46	-1.0	-61.25	362.09	10.26	-50.99
CSCC1=CC=CC=C1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013493079	0	48	-1.0	-51.07	400.25	9.53	-41.54
CSCC1=CC=CC=C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013493080	0	45	-1.0	-51.99	378.76	8.75	-43.24
CSCC1=CC=CC=C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013493081	0	43	-1.0	-53.26	343.66	9.63	-43.63
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=CC=C2CSC)C1	REAL300013493082	0	47	-1.0	-57.24	375.66	8.79	-48.45
COCCN(CCC(=O)[O-])C(=O)NC1=CC=CC=C1CSC	REAL300013493083	0	43	-1.0	-45.16	363.65	8.15	-37.01
CSCC1=CC=CC=C1NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013493084	0	49	-1.0	-53.42	402.81	10.49	-42.93
CSCC1=CC=CC=C1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013493085	0	46	-1.0	-53.62	369.19	10.31	-43.31
CSCC1=CC=CC=C1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013493086	0	44	-1.0	-63.63	360.14	11.48	-52.15
CSCC1=CC=CC=C1NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013493087	0	51	-1.0	-50.68	416.20	8.49	-42.19
CSCC1=CC=CC=C1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013493088	0	41	-1.0	-43.46	340.91	7.54	-35.92
CSCC1=CC=CC=C1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013493089	0	43	-1.0	-43.81	345.22	9.49	-34.32
CSCC1=CC=CC=C1NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013493090	0	47	-1.0	-48.53	390.80	11.48	-37.05
CSCC1=CC=CC=C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013493091	0	41	-1.0	-51.79	336.21	6.15	-45.64
CSCC1=CC=CC=C1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013493092	0	44	-1.0	-50.08	375.67	9.79	-40.29
CSCC1=CC=CC=C1NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013493093	0	47	-1.0	-66.95	379.70	8.72	-58.23
CSCC1=CC=CC=C1NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013493094	0	37	-1.0	-50.38	329.69	9.18	-41.20
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2CSC)CC1	REAL300013493095	0	47	-1.0	-53.82	372.03	9.07	-44.75
CSCC1=CC=CC=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013493096	0	38	-1.0	-52.63	329.46	7.20	-45.43
CSCC1=CC=CC=C1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013493097	0	49	-1.0	-52.29	376.07	9.24	-43.05
CSCC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013493098	0	43	-1.0	-47.73	348.88	8.57	-39.16
CSCC1=CC=CC=C1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013493099	0	46	-1.0	-50.99	373.05	8.88	-42.11
CSCC1=CC=CC=C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013493100	0	43	-1.0	-46.51	346.53	9.54	-36.97
CSCC1=CC=CC=C1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013493101	0	44	-1.0	-52.68	363.13	8.97	-43.71
CSCC1=CC=CC=C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013493102	0	43	-1.0	-48.46	354.64	8.18	-40.28
CSCC1=CC=CC=C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013493103	0	43	-1.0	-46.78	350.24	8.61	-38.17
CSCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013493104	0	44	-1.0	-47.16	356.59	6.77	-40.39
CSCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013493105	0	41	-1.0	-45.50	341.40	5.74	-39.76
CSCC1=CC=CC=C1NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013493106	0	41	-1.0	-60.46	337.47	9.37	-51.09
CSCC1=CC=CC=C1NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013493107	0	52	-1.0	-50.30	427.29	10.91	-39.39
CSCC1=CC=CC=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013493108	0	38	-1.0	-50.27	330.88	7.69	-42.58
CSCC1=CC=CC=C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013493109	0	44	-1.0	-44.99	356.57	9.67	-35.32
CSCC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013493110	0	40	-1.0	-44.71	349.66	8.79	-35.92
CSCC1=CC=CC=C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013493111	0	41	-1.0	-53.06	336.13	8.14	-44.92
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC=C2CSC)C1	REAL300013493112	0	44	-1.0	-52.61	360.18	7.81	-44.80
CSCC1=CC=CC=C1NC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300013493113	0	44	-1.0	-55.73	382.35	10.68	-45.05
CSCC1=CC=CC=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013493114	0	38	-1.0	-52.12	330.44	7.70	-44.42
CSCC1=CC=CC=C1NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013493115	0	46	-1.0	-49.12	358.09	9.59	-39.53
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300013493116	0	48	-1.0	-52.54	380.70	9.47	-43.07
COC(=O)C(C)CC1=CC=C(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300013493117	0	48	-1.0	-51.80	400.75	9.78	-42.02
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300013493118	0	48	-1.0	-54.41	404.33	9.16	-45.25
COC(=O)C(C)CC1=CC=C(NC(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300013493119	0	50	-1.0	-48.95	393.44	7.95	-41.00
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300013493120	0	46	-1.0	-56.37	373.58	7.94	-48.43
COC(=O)C(C)CC1=CC=C(NC(=O)N(C)CCC(=O)[O-])C=C1	REAL300013493121	0	44	-1.0	-55.35	362.70	8.63	-46.72
COC(=O)C(C)CC1=CC=C(NC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300013493122	0	51	-1.0	-50.73	402.54	9.27	-41.46
COC(=O)C(C)CC1=CC=C(NC(=O)NCCCCC(=O)[O-])C=C1	REAL300013493123	0	47	-1.0	-54.89	388.40	7.80	-47.09
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013493124	0	48	-1.0	-56.82	404.66	9.11	-47.71
COC(=O)C(C)CC1=CC=C(NC(=O)NCCC(=O)[O-])C=C1	REAL300013493125	0	41	-1.0	-53.28	345.40	6.22	-47.06
COC(=O)C(C)CC1=CC=C(NC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013493126	0	50	-1.0	-53.34	409.90	8.58	-44.76
COC(=O)C(C)CC1=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300013493127	0	45	-1.0	-51.22	373.90	4.55	-46.67
COC(=O)C(C)CC1=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013493128	0	47	-1.0	-55.39	380.26	7.69	-47.70
COC(=O)C(C)CC1=CC=C(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300013493129	0	51	-1.0	-52.27	422.15	10.58	-41.69
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300013493130	0	48	-1.0	-58.84	384.74	9.12	-49.72
COC(=O)C(C)CC1=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300013493131	0	47	-1.0	-53.87	376.17	8.88	-44.99
COC(=O)C(C)CC1=CC=C(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C=C1	REAL300013493132	0	51	-1.0	-45.80	397.85	10.32	-35.48
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013493133	0	51	-1.0	-54.17	392.57	9.81	-44.36
COC(=O)C(C)CC1=CC=C(NC(=O)NCCCC(=O)[O-])C=C1	REAL300013493134	0	44	-1.0	-50.52	366.90	7.01	-43.51
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300013493135	0	51	-1.0	-56.33	396.64	9.91	-46.42
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013493136	0	52	-1.0	-47.44	407.66	7.03	-40.41
COC(=O)C(C)CC1=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013493137	0	50	-1.0	-51.06	399.60	7.88	-43.18
CCC(CC)(CNC(=O)NC1=CC=C(CC(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300013493138	0	53	-1.0	-50.14	411.38	8.92	-41.22
COC(=O)C(C)CC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300013493139	0	48	-1.0	-50.06	386.48	8.60	-41.46
COC(=O)C(C)CC1=CC=C(NC(=O)NCC(C)C(=O)[O-])C=C1	REAL300013493140	0	44	-1.0	-54.18	363.95	6.98	-47.20
COC(=O)C(C)CC1=CC=C(NC(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300013493141	0	50	-1.0	-48.15	397.43	8.27	-39.88
COC(=O)C(C)CC1=CC=C(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300013493142	0	57	-1.0	-58.01	439.27	9.56	-48.45
COC(=O)C(C)CC1=CC=C(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013493143	0	54	-1.0	-51.19	435.77	10.34	-40.85
COC(=O)C(C)CC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013493144	0	48	-1.0	-49.91	388.26	8.34	-41.57
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300013493145	0	54	-1.0	-54.45	421.53	10.93	-43.52
COC(=O)C(C)CC1=CC=C(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=C1	REAL300013493146	0	50	-1.0	-51.37	398.12	7.78	-43.59
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013493147	0	51	-1.0	-50.00	405.30	9.07	-40.93
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C=C1	REAL300013493148	0	51	-1.0	-50.86	393.92	10.21	-40.65
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013493149	0	48	-1.0	-48.04	387.95	8.25	-39.79
COC(=O)C(C)CC1=CC=C(NC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013493150	0	51	-1.0	-55.84	412.91	9.07	-46.77
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013493151	0	51	-1.0	-54.17	392.57	9.81	-44.36
COC(=O)C(C)CC1=CC=C(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300013493152	0	56	-1.0	-49.19	438.76	9.56	-39.63
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013493153	0	45	-1.0	-46.41	371.85	7.88	-38.53
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013493154	0	48	-1.0	-56.91	397.96	9.25	-47.66
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CC(C)C(=O)OC)C=C2)C1	REAL300013493155	0	52	-1.0	-58.06	418.60	8.16	-49.90
COC(=O)C(C)CC1=CC=C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013493156	0	45	-1.0	-50.93	372.04	7.62	-43.31
COC(=O)C(C)CC1=CC=C(NC(=O)NC2CCN(CC(=O)[O-])CC2)C=C1	REAL300013493157	0	53	-1.0	-51.20	420.18	6.69	-44.51
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013493158	0	48	-1.0	-56.86	381.70	9.49	-47.37
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013493159	0	48	-1.0	-57.14	382.03	9.51	-47.63
COC(=O)C(C)CC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013493160	0	45	-1.0	-50.72	372.08	7.62	-43.10
COC(=O)C(C)CC1=CC=C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013493161	0	45	-1.0	-52.09	371.93	7.66	-44.43
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013493162	0	48	-1.0	-56.82	404.66	9.11	-47.71
CCC(CNC(=O)NC1=CC=C(CC(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300013493163	0	47	-1.0	-49.86	385.90	7.68	-42.18
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCCCC2CCC(=O)[O-])C=C1	REAL300013493164	0	54	-1.0	-64.01	414.83	10.90	-53.11
COC(=O)C(C)CC1=CC=C(NC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300013493165	0	56	-1.0	-54.54	452.89	10.14	-44.40
COC(=O)C(C)CC1=CC=C(NC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300013493166	0	53	-1.0	-55.60	431.39	9.36	-46.24
COC(=O)C(C)CC1=CC=C(NC(=O)N(C)CCCC(=O)[O-])C=C1	REAL300013493167	0	47	-1.0	-57.60	384.19	9.44	-48.16
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013493168	0	51	-1.0	-57.72	396.35	10.25	-47.47
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(CC(C)C(=O)OC)C=C2)C1	REAL300013493169	0	55	-1.0	-59.65	426.61	10.15	-49.50
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(CC(C)C(=O)OC)C=C1	REAL300013493170	0	51	-1.0	-46.89	416.14	8.76	-38.13
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300013493171	0	54	-1.0	-57.13	421.79	10.93	-46.20
COC(=O)C(C)CC1=CC=C(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C=C1	REAL300013493172	0	52	-1.0	-63.74	414.09	12.15	-51.59
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300013493173	0	49	-1.0	-47.25	392.58	8.32	-38.93
COC(=O)C(C)CC1=CC=C(NC(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300013493174	0	51	-1.0	-46.43	397.99	10.07	-36.36
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013493175	0	49	-1.0	-54.20	389.50	7.09	-47.11
COC(=O)C(C)CC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300013493176	0	52	-1.0	-52.42	427.01	10.39	-42.03
COC(=O)C(C)CC1=CC=C(NC(=O)NC2=CN(CC(=O)[O-])C=N2)C=C1	REAL300013493177	0	45	-1.0	-53.67	381.03	9.79	-43.88
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CC(C)C(=O)OC)C=C2)CC1	REAL300013493178	0	55	-1.0	-55.82	424.86	9.64	-46.18
COC(=O)C(C)CC1=CC=C(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013493179	0	46	-1.0	-56.74	381.78	7.84	-48.90
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C=C1	REAL300013493180	0	57	-1.0	-54.25	427.70	9.83	-44.42
COC(=O)C(C)CC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013493181	0	51	-1.0	-50.65	401.21	9.21	-41.44
COC(=O)C(C)CC1=CC=C(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300013493182	0	54	-1.0	-54.14	425.40	9.55	-44.59
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013493183	0	51	-1.0	-53.57	399.20	10.15	-43.42
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1	REAL300013493184	0	52	-1.0	-55.42	415.76	9.57	-45.85
COC(=O)C(C)CC1=CC=C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013493185	0	51	-1.0	-51.55	406.44	8.82	-42.73
COC(=O)C(C)CC1=CC=C(NC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013493186	0	51	-1.0	-51.78	406.77	8.79	-42.99
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300013493187	0	52	-1.0	-52.42	412.26	7.65	-44.77
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013493188	0	49	-1.0	-48.16	394.04	6.35	-41.81
COC(=O)C(C)CC1=CC=C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)C=C1	REAL300013493189	0	49	-1.0	-51.96	385.60	9.94	-42.02
COC(=O)C(C)CC1=CC=C(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013493190	0	46	-1.0	-52.18	383.51	8.34	-43.84
COC(=O)C(C)CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013493191	0	45	-1.0	-46.41	371.85	7.88	-38.53
COC(=O)C(C)CC1=CC=C(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300013493192	0	52	-1.0	-46.91	408.87	10.32	-36.59
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013493193	0	49	-1.0	-56.35	388.10	8.80	-47.55
COC(=O)C(C)CC1=CC=C(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)C=C1	REAL300013493194	0	52	-1.0	-59.92	413.26	8.61	-51.31
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013493195	0	45	-1.0	-52.73	367.70	8.61	-44.12
COC(=O)C(C)CC1=CC=C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013493196	0	46	-1.0	-55.46	382.46	8.35	-47.11
COC(=O)C(C)CC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCCCC2)C=C1	REAL300013493197	0	54	-1.0	-53.48	411.31	10.34	-43.14
COC(=O)C(C)CC1=CC=C(NC(=O)NC(C)CCC(=O)[O-])C=C1	REAL300013493198	0	47	-1.0	-49.96	386.38	8.06	-41.90
CC1=NC=CC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013493199	0	44	-1.0	-48.20	348.01	8.75	-39.45
CC1=NC=CC(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013493200	0	37	-1.0	-53.75	319.93	7.37	-46.38
CC1=NC=CC(NC(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013493201	0	45	-1.0	-49.29	355.88	6.49	-42.80
CC1=NC=CC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013493202	0	43	-1.0	-60.36	337.07	6.33	-54.03
CC1=NC=CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013493203	0	40	-1.0	-52.35	333.56	7.13	-45.22
CC1=NC=CC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013493204	0	44	-1.0	-56.64	353.81	7.13	-49.51
COC(=O)C1CC2(C1)CN(C(=O)NC1=CC=NC(C)=N1)CC2C(=O)[O-]	REAL300013493205	0	44	-1.0	-54.69	362.83	7.78	-46.91
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=NC(C)=N2)C1	REAL300013493206	0	41	-1.0	-54.20	323.61	5.58	-48.62
CC1=NC=CC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013493207	0	43	-1.0	-59.10	353.06	7.90	-51.20
CC1=NC=CC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013493208	0	38	-1.0	-56.98	308.92	8.31	-48.67
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2=CC=NC(C)=N2)CCO1	REAL300013493209	0	45	-1.0	-49.16	364.01	5.25	-43.91
CC1=NC=CC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013493210	0	41	-1.0	-49.78	341.79	8.87	-40.91
CC1=NC=CC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013493211	0	38	-1.0	-54.71	325.12	7.12	-47.59
CC1=NC=CC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013493212	0	41	-1.0	-74.46	330.83	6.09	-68.37
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=NC(C)=N2)CC1	REAL300013493213	0	41	-1.0	-57.16	322.77	6.41	-50.75
CC1=NC=CC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013493214	0	43	-1.0	-57.21	325.93	6.56	-50.65
CC1=NC=CC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013493215	0	46	-1.0	-55.15	377.07	8.27	-46.88
CC1=NC=CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013493216	0	34	-1.0	-50.39	299.26	6.12	-44.27
CC1=NC=CC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013493217	0	43	-1.0	-56.20	354.63	4.19	-52.01
CC1=NC=CC(NC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013493218	0	38	-1.0	-59.29	332.03	8.02	-51.27
O=C([O-])C1CCN(C(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CC1	REAL300013493219	0	49	-1.0	-54.71	384.88	8.56	-46.15
O=C([O-])CC1=CC=CC(NC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)=C1	REAL300013493220	0	49	-1.0	-55.30	405.88	8.87	-46.43
O=C([O-])C1=CC=C(CNC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)C=C1	REAL300013493221	0	49	-1.0	-58.86	410.07	8.17	-50.69
CC(C)(CCC(=O)[O-])NC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1	REAL300013493222	0	51	-1.0	-52.93	399.20	7.00	-45.93
O=C([O-])C1CN(C(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CCO1	REAL300013493223	0	47	-1.0	-60.80	379.29	6.97	-53.83
CN(CCC(=O)[O-])C(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1	REAL300013493224	0	45	-1.0	-59.97	368.73	7.64	-52.33
O=C([O-])C1CCC(NC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CC1	REAL300013493225	0	52	-1.0	-55.19	408.63	8.27	-46.92
O=C([O-])CCCCNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1	REAL300013493226	0	48	-1.0	-58.92	394.16	6.83	-52.09
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)=CC=C1	REAL300013493227	0	49	-1.0	-61.09	410.07	8.15	-52.94
O=C([O-])CCNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1	REAL300013493228	0	42	-1.0	-57.28	351.16	5.25	-52.03
O=C([O-])CCCCCNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1	REAL300013493229	0	51	-1.0	-57.24	415.66	7.61	-49.63
CC(O)(CNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)C(=O)[O-]	REAL300013493230	0	46	-1.0	-55.20	379.67	3.60	-51.60
CC(C)(CNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)C(=O)[O-]	REAL300013493231	0	48	-1.0	-59.37	386.02	6.72	-52.65
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)C1	REAL300013493232	0	49	-1.0	-65.96	389.62	8.16	-57.80
CC(CN(C)C(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)C(=O)[O-]	REAL300013493233	0	48	-1.0	-58.13	382.81	7.94	-50.19
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)C1	REAL300013493234	0	52	-1.0	-49.75	403.30	9.37	-40.38
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CC1	REAL300013493235	0	52	-1.0	-58.67	399.95	8.83	-49.84
O=C([O-])CCCNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1	REAL300013493236	0	45	-1.0	-54.41	372.66	6.05	-48.36
CC1CCN(C(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CC1C(=O)[O-]	REAL300013493237	0	52	-1.0	-60.09	402.46	8.94	-51.15
CC(C)(CCNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)C(=O)[O-]	REAL300013493238	0	51	-1.0	-54.87	405.95	6.93	-47.94
CCC(CC)(CNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)C(=O)[O-]	REAL300013493239	0	54	-1.0	-54.06	417.14	7.96	-46.10
O=C([O-])CC1(NC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CCC1	REAL300013493240	0	49	-1.0	-54.32	392.27	7.64	-46.68
CC(CNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)C(=O)[O-]	REAL300013493241	0	45	-1.0	-58.30	370.52	6.04	-52.26
CC(C)C(CNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)C(=O)[O-]	REAL300013493242	0	51	-1.0	-52.31	403.19	7.30	-45.01
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)C1	REAL300013493243	0	49	-1.0	-54.39	393.55	7.21	-47.18
O=C([O-])C1(CNC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CCCC1	REAL300013493244	0	52	-1.0	-54.38	411.11	8.10	-46.28
CC1CN(C(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CCC1C(=O)[O-]	REAL300013493245	0	52	-1.0	-55.11	399.62	9.26	-45.85
O=C([O-])C1(CNC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CCC1	REAL300013493246	0	49	-1.0	-51.92	393.76	7.28	-44.64
O=C([O-])CC(CNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)C1CC1	REAL300013493247	0	52	-1.0	-60.47	418.31	8.12	-52.35
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CC1	REAL300013493248	0	52	-1.0	-58.67	399.95	8.83	-49.84
O=C([O-])C1(CNC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)CC1	REAL300013493249	0	46	-1.0	-51.93	377.96	6.99	-44.94
O=C([O-])C1=CC=CC=C1CNC(=O)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1	REAL300013493250	0	49	-1.0	-61.02	404.06	8.25	-52.77
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)C1	REAL300013493251	0	46	-1.0	-55.01	378.03	6.63	-48.38
O=C([O-])[C@@H]1CCCN(C(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)C1	REAL300013493252	0	49	-1.0	-49.63	386.41	8.54	-41.09
O=C([O-])[C@H]1CCCN(C(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)C1	REAL300013493253	0	49	-1.0	-61.31	387.62	8.59	-52.72
O=C([O-])C1CC(NC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)C1	REAL300013493254	0	46	-1.0	-55.24	378.03	6.63	-48.61
O=C([O-])[C@H]1C[C@H](NC(=O)NC2=CC=C(CN3C(=O)CCCC3=O)C=C2)C1	REAL300013493255	0	46	-1.0	-56.16	377.97	6.66	-49.50
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COC1=CC=C(NC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1OC(C)C	REAL300013493345	0	51	-1.0	-53.93	399.20	7.60	-46.33
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COC1=CC=C(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1OC(C)C	REAL300013493353	0	51	-1.0	-46.41	393.59	8.40	-38.01
COC1=CC=C(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=C1OC(C)C	REAL300013493354	0	47	-1.0	-47.16	384.96	7.38	-39.78
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CCCC1=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C=NN1C1=CC(C)=CC=N1	REAL300013493415	0	54	-1.0	-49.66	419.15	11.11	-38.55
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CCCC1=C(NC(=O)N2CCC(C(=O)[O-])C2)C=NN1C1=CC(C)=CC=N1	REAL300013493424	0	48	-1.0	-53.25	388.09	9.51	-43.74
CCCC1=C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=NN1C1=CC(C)=CC=N1	REAL300013493425	0	49	-1.0	-56.88	403.10	9.26	-47.62
CCCC1=C(NC(=O)NC2(CC(=O)[O-])CCCCC2)C=NN1C1=CC(C)=CC=N1	REAL300013493426	0	57	-1.0	-54.63	431.13	11.15	-43.48
CCCC1=C(NC(=O)NC(C)CCC(=O)[O-])C=NN1C1=CC(C)=CC=N1	REAL300013493427	0	50	-1.0	-51.05	406.72	8.98	-42.07
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013493428	0	41	-1.0	-63.95	337.27	6.46	-57.49
CS(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013493429	0	41	-1.0	-66.62	355.69	6.66	-59.96
CS(=O)CC1=CC=CC=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013493430	0	41	-1.0	-59.61	361.55	5.87	-53.74
CS(=O)CC1=CC=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013493431	0	43	-1.0	-52.87	350.32	4.69	-48.18
CS(=O)CC1=CC=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013493432	0	39	-1.0	-63.65	328.73	4.84	-58.81
CS(=O)CC1=CC=CC=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013493433	0	44	-1.0	-62.02	364.18	5.54	-56.48
CS(=O)CC1=CC=CC=C1NC(=O)NCCCCC(=O)[O-]	REAL300013493434	0	40	-1.0	-59.82	345.28	4.55	-55.27
CS(=O)CC1=CC=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013493435	0	41	-1.0	-60.20	361.55	5.86	-54.34
CS(=O)CC1=CC=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013493436	0	43	-1.0	-58.22	366.78	5.33	-52.89
CS(=O)CC1=CC=CC=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013493437	0	38	-1.0	-54.84	330.38	1.26	-53.58
CS(=O)CC1=CC=CC=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013493438	0	40	-1.0	-59.55	337.72	4.43	-55.12
CS(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013493439	0	44	-1.0	-66.12	377.09	7.47	-58.65
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013493440	0	41	-1.0	-56.62	343.46	5.92	-50.70
CC(CN(C)C(=O)NC1=CC=CC=C1CS(C)=O)C(=O)[O-]	REAL300013493441	0	40	-1.0	-62.54	334.32	5.90	-56.64
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC=C2CS(C)=O)C1	REAL300013493442	0	44	-1.0	-44.93	353.98	7.08	-37.85
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013493443	0	44	-1.0	-59.87	349.08	6.63	-53.24
CC1CCN(C(=O)NC2=CC=CC=C2CS(C)=O)CC1C(=O)[O-]	REAL300013493444	0	44	-1.0	-46.97	356.96	6.78	-40.19
CS(=O)CC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013493445	0	45	-1.0	-49.78	362.25	3.96	-45.82
CS(=O)CC1=CC=CC=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013493446	0	43	-1.0	-54.84	356.49	4.64	-50.20
CCC(CC)(CNC(=O)NC1=CC=CC=C1CS(C)=O)C(=O)[O-]	REAL300013493447	0	46	-1.0	-50.67	369.38	5.45	-45.22
CS(=O)CC1=CC=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013493448	0	41	-1.0	-52.38	342.88	5.27	-47.11
CC(C)C(CNC(=O)NC1=CC=CC=C1CS(C)=O)C(=O)[O-]	REAL300013493449	0	43	-1.0	-52.16	359.57	4.92	-47.24
CC(NC(=O)NC1=CC=CC=C1CS(C)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013493450	0	50	-1.0	-67.45	395.16	6.60	-60.85
CS(=O)CC1=CC=CC=C1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013493451	0	47	-1.0	-64.67	385.30	7.51	-57.16
CS(=O)CC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013493452	0	41	-1.0	-59.09	343.77	5.29	-53.80
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013493453	0	47	-1.0	-62.54	376.58	7.85	-54.69
CS(=O)CC1=CC=CC=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013493454	0	43	-1.0	-61.82	355.63	4.39	-57.43
CS(=O)CC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013493455	0	44	-1.0	-65.86	360.34	6.00	-59.86
CC1CN(C(=O)NC2=CC=CC=C2CS(C)=O)CCC1C(=O)[O-]	REAL300013493456	0	44	-1.0	-58.31	349.06	7.11	-51.20
CS(=O)CC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013493457	0	41	-1.0	-48.70	345.24	5.17	-43.53
CS(=O)CC1=CC=CC=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013493458	0	44	-1.0	-59.78	369.31	5.81	-53.97
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013493459	0	44	-1.0	-59.87	349.08	6.63	-53.24
CC(C)C[C@H](CNC(=O)NC1=CC=CC=C1CS(C)=O)CC(=O)[O-]	REAL300013493460	0	49	-1.0	-57.82	389.93	6.13	-51.69
CS(=O)CC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013493461	0	38	-1.0	-47.20	330.40	4.75	-42.45
CS(=O)CC1=CC=CC=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013493462	0	41	-1.0	-57.53	355.19	5.95	-51.58
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2CS(C)=O)C1	REAL300013493463	0	45	-1.0	-61.43	376.55	4.96	-56.47
CS(=O)CC1=CC=CC=C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013493464	0	38	-1.0	-54.73	328.87	4.32	-50.41
CS(=O)CC1=CC=CC=C1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013493465	0	46	-1.0	-56.21	376.73	3.35	-52.86
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013493466	0	41	-1.0	-61.40	337.72	6.24	-55.16
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013493467	0	41	-1.0	-46.46	338.62	6.29	-40.17
CS(=O)CC1=CC=CC=C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013493468	0	38	-1.0	-61.05	327.35	4.51	-56.54
CS(=O)CC1=CC=CC=C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013493469	0	38	-1.0	-59.84	327.18	4.55	-55.29
CS(=O)CC1=CC=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013493470	0	41	-1.0	-60.20	361.55	5.86	-54.34
CCC(CNC(=O)NC1=CC=CC=C1CS(C)=O)C(=O)[O-]	REAL300013493471	0	40	-1.0	-49.84	337.77	4.53	-45.31
CS(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013493472	0	47	-1.0	-69.73	371.61	7.62	-62.11
CS(=O)CC1=CC=CC=C1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013493473	0	49	-1.0	-59.75	409.78	6.89	-52.86
CS(=O)CC1=CC=CC=C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013493474	0	46	-1.0	-60.90	388.28	6.11	-54.79
CN(CCCC(=O)[O-])C(=O)NC1=CC=CC=C1CS(C)=O	REAL300013493475	0	40	-1.0	-62.45	341.49	6.15	-56.30
CS(=O)CC1=CC=CC=C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013493476	0	44	-1.0	-62.23	352.04	6.90	-55.33
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=CC=C2CS(C)=O)C1	REAL300013493477	0	48	-1.0	-64.99	383.43	6.72	-58.27
COCCN(CCC(=O)[O-])C(=O)NC1=CC=CC=C1CS(C)=O	REAL300013493478	0	44	-1.0	-44.56	373.18	5.51	-39.05
CS(=O)CC1=CC=CC=C1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013493479	0	47	-1.0	-64.14	376.94	7.83	-56.31
CS(=O)CC1=CC=CC=C1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013493480	0	45	-1.0	-66.29	369.67	8.83	-57.46
CS(=O)CC1=CC=CC=C1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013493481	0	42	-1.0	-55.61	348.67	5.07	-50.54
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=CC=C1CS(C)=O	REAL300013493482	0	44	-1.0	-62.65	351.97	6.95	-55.70
CS(=O)CC1=CC=CC=C1NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013493483	0	48	-1.0	-62.72	397.88	9.07	-53.65
CS(=O)CC1=CC=CC=C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013493484	0	42	-1.0	-59.06	346.64	3.73	-55.33
CS(=O)CC1=CC=CC=C1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013493485	0	45	-1.0	-56.94	385.19	7.14	-49.80
CS(=O)CC1=CC=CC=C1NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013493486	0	48	-1.0	-77.62	387.69	6.22	-71.40
CS(=O)CC1=CC=CC=C1NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013493487	0	38	-1.0	-57.40	339.22	6.54	-50.86
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2CS(C)=O)CC1	REAL300013493488	0	48	-1.0	-60.49	381.56	6.42	-54.07
CS(=O)CC1=CC=CC=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013493489	0	39	-1.0	-63.47	337.19	4.73	-58.74
CS(=O)CC1=CC=CC=C1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013493490	0	50	-1.0	-57.62	385.59	6.59	-51.03
CS(=O)CC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013493491	0	44	-1.0	-53.24	358.40	5.93	-47.31
CS(=O)CC1=CC=CC=C1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013493492	0	47	-1.0	-61.70	380.62	6.44	-55.26
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013493493	0	44	-1.0	-59.96	354.27	7.07	-52.89
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013493494	0	45	-1.0	-64.19	370.87	6.49	-57.70
CS(=O)CC1=CC=CC=C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013493495	0	44	-1.0	-61.10	361.79	5.70	-55.40
CS(=O)CC1=CC=CC=C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013493496	0	44	-1.0	-59.20	357.86	6.15	-53.05
CS(=O)CC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013493497	0	45	-1.0	-64.01	364.22	4.31	-59.70
CS(=O)CC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013493498	0	42	-1.0	-59.99	349.03	3.28	-56.71
CS(=O)CC1=CC=CC=C1NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013493499	0	42	-1.0	-67.19	346.99	6.73	-60.46
CS(=O)CC1=CC=CC=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013493500	0	39	-1.0	-55.15	341.67	5.09	-50.06
CS(=O)CC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013493501	0	38	-1.0	-47.20	330.40	4.75	-42.45
CS(=O)CC1=CC=CC=C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013493502	0	45	-1.0	-48.71	366.10	7.03	-41.68
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013493503	0	41	-1.0	-51.37	358.35	6.08	-45.29
CS(=O)CC1=CC=CC=C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013493504	0	42	-1.0	-63.49	344.31	5.67	-57.82
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC=C2CS(C)=O)C1	REAL300013493505	0	45	-1.0	-58.99	369.71	5.16	-53.83
CS(=O)CC1=CC=CC=C1NC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300013493506	0	45	-1.0	-65.00	391.87	8.03	-56.97
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013493507	0	38	-1.0	-57.47	324.54	5.31	-52.16
CS(=O)CC1=CC=CC=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013493508	0	39	-1.0	-60.74	339.66	5.06	-55.68
CS(=O)CC1=CC=CC=C1NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013493509	0	47	-1.0	-68.92	366.24	7.24	-61.68
CC(CCC(=O)[O-])NC(=O)NC1=CC=CC=C1CS(C)=O	REAL300013493510	0	40	-1.0	-53.90	343.54	4.76	-49.14
CC1=CC(NC(=O)N2CCC(C(=O)[O-])CC2)=CC=C1C1=CC=CC=C1	REAL300013493511	0	46	-1.0	-51.84	363.26	10.91	-40.93
CC1=CC(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)=CC=C1C1=CC=CC=C1	REAL300013493512	0	46	-1.0	-57.88	382.04	11.13	-46.75
CC1=CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC=C1C1=CC=CC=C1	REAL300013493513	0	46	-1.0	-52.69	385.78	10.51	-42.18
CC1=CC(NC(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493514	0	48	-1.0	-46.82	374.26	9.36	-37.46
CC1=CC(NC(=O)N2CCOC(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493515	0	44	-1.0	-54.67	355.90	9.39	-45.28
CC1=CC(NC(=O)N(C)CCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493516	0	42	-1.0	-53.87	345.70	10.03	-43.84
CC1=CC(NC(=O)NC2CCC(C(=O)[O-])CC2)=CC=C1C1=CC=CC=C1	REAL300013493517	0	49	-1.0	-48.95	382.67	10.58	-38.37
CC1=CC(NC(=O)NCCCCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493518	0	45	-1.0	-52.57	369.22	9.20	-43.37
CC1=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=C1C1=CC=CC=C1	REAL300013493519	0	46	-1.0	-54.30	385.75	10.47	-43.83
CC1=CC(NC(=O)NCCCCCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493520	0	48	-1.0	-51.10	390.72	9.97	-41.13
CC1=CC(NC(=O)NCC(C)(O)C(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493521	0	43	-1.0	-49.05	354.73	5.97	-43.08
CC1=CC(NC(=O)NCC(C)(C)C(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493522	0	45	-1.0	-53.20	361.66	9.08	-44.12
CC1=CC(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=CC=C1C1=CC=CC=C1	REAL300013493523	0	49	-1.0	-58.33	403.44	11.93	-46.40
CC1=CC(NC(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493524	0	46	-1.0	-49.66	367.53	10.54	-39.12
CC1=CC(NC(=O)N(C)CC(C)C(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493525	0	45	-1.0	-51.45	358.61	10.35	-41.10
CC1=CC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493526	0	49	-1.0	-54.95	383.70	11.44	-43.51
CC1=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC=C1C1=CC=CC=C1	REAL300013493527	0	49	-1.0	-52.22	376.36	11.21	-41.01
CC1=CC(NC(=O)NCCCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493528	0	42	-1.0	-48.33	347.72	8.42	-39.91
CC1=CC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493529	0	49	-1.0	-43.73	379.12	11.37	-32.36
CC1=CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)=CC=C1C1=CC=CC=C1	REAL300013493530	0	50	-1.0	-45.27	390.52	8.43	-36.84
CC1=CC(NC(=O)NCCC(C)(C)C(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493531	0	48	-1.0	-48.97	380.42	9.28	-39.69
CCC(CC)(CNC(=O)NC1=CC=C(C2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300013493532	0	51	-1.0	-48.65	393.30	10.09	-38.56
CC1=CC(NC(=O)NC2(CC(=O)[O-])CCC2)=CC=C1C1=CC=CC=C1	REAL300013493533	0	46	-1.0	-51.22	369.09	9.98	-41.24
CC1=CC(NC(=O)NCC(C)C(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493534	0	42	-1.0	-51.91	344.77	8.38	-43.53
CC1=CC(NC(=O)NCC(C(=O)[O-])C(C)C)=CC=C1C1=CC=CC=C1	REAL300013493535	0	48	-1.0	-46.45	376.04	9.70	-36.75
CC1=CC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC=C1C1=CC=CC=C1	REAL300013493536	0	55	-1.0	-56.34	425.17	11.50	-44.84
CC1=CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1C1=CC=CC=C1	REAL300013493537	0	52	-1.0	-50.27	416.88	11.72	-38.55
CC1=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493538	0	46	-1.0	-48.23	369.42	9.67	-38.56
CC1=CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)=CC=C1C1=CC=CC=C1	REAL300013493539	0	52	-1.0	-51.62	402.57	12.29	-39.33
CC1=CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493540	0	48	-1.0	-56.93	381.44	9.07	-47.86
CC1=CC(NC(=O)NCC2(C(=O)[O-])CCCC2)=CC=C1C1=CC=CC=C1	REAL300013493541	0	49	-1.0	-47.79	387.90	10.50	-37.29
CC1=CC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)=CC=C1C1=CC=CC=C1	REAL300013493542	0	49	-1.0	-50.23	376.33	11.67	-38.56
CC1=CC(NC(=O)NCC2(C(=O)[O-])CCC2)=CC=C1C1=CC=CC=C1	REAL300013493543	0	46	-1.0	-46.04	370.81	9.66	-36.38
CC1=CC(NC(=O)NCC(CC(=O)[O-])C2CC2)=CC=C1C1=CC=CC=C1	REAL300013493544	0	49	-1.0	-54.49	393.73	10.47	-44.02
CC1=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC=C1C1=CC=CC=C1	REAL300013493545	0	49	-1.0	-52.22	376.36	11.21	-41.01
CC1=CC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=CC=C1C1=CC=CC=C1	REAL300013493546	0	54	-1.0	-52.82	413.94	10.79	-42.03
CC1=CC(NC(=O)NCC2(C(=O)[O-])CC2)=CC=C1C1=CC=CC=C1	REAL300013493547	0	43	-1.0	-45.36	355.09	9.39	-35.97
CC1=CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493548	0	46	-1.0	-54.75	379.39	10.62	-44.13
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(C3=CC=CC=C3)C(C)=C2)C1	REAL300013493549	0	50	-1.0	-58.91	399.69	9.62	-49.29
CC1=CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493550	0	43	-1.0	-49.26	354.56	9.02	-40.24
CC1=CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)=CC=C1C1=CC=CC=C1	REAL300013493551	0	51	-1.0	-49.61	401.32	8.07	-41.54
CC1=CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493552	0	46	-1.0	-54.90	361.78	10.86	-44.04
CC1=CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493553	0	46	-1.0	-45.24	364.40	10.98	-34.26
CC1=CC(NC(=O)NC2CC(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493554	0	43	-1.0	-49.07	354.68	9.04	-40.03
CC1=CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493555	0	43	-1.0	-50.13	354.43	9.07	-41.06
CC1=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=C1C1=CC=CC=C1	REAL300013493556	0	46	-1.0	-54.30	385.75	10.47	-43.83
CCC(CNC(=O)NC1=CC=C(C2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300013493557	0	45	-1.0	-46.11	361.31	9.25	-36.86
CC1=CC(NC(=O)N2CCCCC2CCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493558	0	52	-1.0	-63.93	396.46	12.30	-51.63
CC1=CC(NC(=O)NCCCCCCCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493559	0	54	-1.0	-52.26	433.71	11.53	-40.73
CC1=CC(NC(=O)NCCCCCCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493560	0	51	-1.0	-53.25	412.21	10.75	-42.50
CC1=CC(NC(=O)N(C)CCCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013493561	0	45	-1.0	-56.10	367.20	10.83	-45.27
CC1=CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493562	0	49	-1.0	-55.67	377.43	11.59	-44.08
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(C3=CC=CC=C3)C(C)=C2)C1	REAL300013493563	0	53	-1.0	-59.83	409.82	10.73	-49.10
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(C2=CC=CC=C2)C(C)=C1	REAL300013493564	0	49	-1.0	-45.31	398.58	10.21	-35.10
CC1=CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013493565	0	52	-1.0	-55.30	403.94	12.39	-42.91
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COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(Cl)C=C2OC(F)F)C1	REAL300013493649	0	44	-1.0	-55.10	366.34	7.56	-47.54
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(Cl)C=C1OC(F)F	REAL300013493650	0	40	-1.0	-43.53	355.61	6.29	-37.24
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O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1=CC=C(Cl)C=C1OC(F)F)C2	REAL300013493670	0	35	-1.0	-49.29	323.15	5.83	-43.46
O=C([O-])C1(CNC(=O)NC2=CC=C(Cl)C=C2OC(F)F)CC1	REAL300013493671	0	34	-1.0	-43.65	311.86	5.49	-38.16
O=C([O-])C1CN(C(=O)NC2=CC=C(Cl)C=C2OC(F)F)CC12CCC2	REAL300013493672	0	41	-1.0	-43.92	348.40	7.81	-36.11
CC1(C(=O)[O-])CN(C(=O)NC2=CC=C(Cl)C=C2OC(F)F)CCO1	REAL300013493673	0	38	-1.0	-52.38	328.12	6.28	-46.10
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(Cl)C=C2OC(F)F)C1	REAL300013493674	0	41	-1.0	-50.34	352.77	6.01	-44.33
O=C([O-])C1CCN(C(=O)NC2=CC=C(Cl)C=C2OC(F)F)C1	REAL300013493675	0	34	-1.0	-49.07	307.82	6.09	-42.98
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1=CC=C(Cl)C=C1OC(F)F)C2	REAL300013493676	0	35	-1.0	-52.30	322.12	5.84	-46.46
O=C([O-])CC1(NC(=O)NC2=CC=C(Cl)C=C2OC(F)F)CCCCC1	REAL300013493677	0	43	-1.0	-48.71	351.23	7.84	-40.87
CC(CCC(=O)[O-])NC(=O)NC1=CC=C(Cl)C=C1OC(F)F	REAL300013493678	0	36	-1.0	-46.97	326.79	5.55	-41.42
O=C([O-])CCCCNC(=O)N1CCN2N=CC(Cl)=C2C1	REAL300013685001	0	36	-1.0	-51.19	313.11	5.31	-45.88
O=C([O-])CCCCNC(=O)NCCN1C=C(C2CCOC2)C=N1	REAL300013685002	0	46	-1.0	-57.82	378.81	3.91	-53.91
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCCCCC(=O)[O-])CCN2C2CC2)=C1	REAL300013685003	1	55	-1.0	-52.49	434.80	6.34	-46.15
COC(=O)C1(C2CCOCC2)CCN(C(=O)NCCCCC(=O)[O-])C1	REAL300013685004	0	52	-1.0	-54.95	395.81	6.30	-48.65
O=C([O-])CCCCNC(=O)NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300013685005	0	44	-1.0	-53.58	371.03	1.53	-52.05
COC1=CC=C2C(=C1)N(C(=O)NCCCCC(=O)[O-])CC2C	REAL300013685006	0	43	-1.0	-57.56	347.03	7.33	-50.23
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)NCCCCC(=O)[O-]	REAL300013685007	0	53	-1.0	-56.66	420.33	10.41	-46.25
CCC(NC(=O)CNC(=O)NCCCCC(=O)[O-])C1=CC=CC=C1	REAL300013685008	0	48	-1.0	-51.48	389.63	5.20	-46.28
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)NCCCCC(=O)[O-])N=N1	REAL300013685009	0	46	-1.0	-57.29	388.62	-1.63	-58.92
COC1=CC(CNC(=O)NCCCCC(=O)[O-])=CC=C1Cl	REAL300013685010	0	39	-1.0	-51.24	344.85	5.09	-46.15
COCC(COC)N1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716001	0	51	-1.0	-52.74	382.70	3.96	-48.78
CC(C)(CNC(=O)N1CCC(NC2=CC=CC=N2)C1)C(=O)[O-]	REAL300013716002	0	43	-1.0	-55.37	343.75	5.62	-49.75
CC(C)(CNC(=O)NCC(O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300013716003	0	45	-1.0	-54.09	363.21	4.90	-49.19
CC(C)(CNC(=O)NC1CCCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013716004	0	45	-1.0	-55.36	346.45	7.43	-47.93
CC1=CC=C(CC(C)(C)NC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013716005	0	47	-1.0	-52.17	359.06	7.43	-44.74
CCCCCCCCC(CO)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716006	0	53	-1.0	-51.24	412.30	5.35	-45.89
C=CCC(CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716007	0	45	-1.0	-53.97	359.65	8.04	-45.93
CC1=CC(N(C)C)=CC=C1CC(C)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716008	0	52	-1.0	-55.07	400.15	7.72	-47.35
CC(C)(CNC(=O)NC1(C2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013716009	0	45	-1.0	-52.87	358.64	7.63	-45.24
CC(C)[C@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@H](O)C(F)(F)F	REAL300013716010	0	41	-1.0	-51.79	326.34	2.54	-49.25
CN1CC2=CC=CC=C2C(NC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716012	0	44	-1.0	-54.22	340.82	4.02	-50.20
CC1CC2=CC=C(F)C(Br)=C2CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716013	0	42	-1.0	-51.32	348.36	8.74	-42.58
CC1=CC=C([N+](=O)[O-])C=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716014	0	40	-1.0	-54.19	336.53	6.59	-47.60
CC(C)(CNC(=O)N1CCN(CCC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013716015	0	50	-1.0	-53.06	390.18	7.68	-45.38
CC(C)(CNC(=O)NCC1=CC=C(CC(N)=O)C=C1)C(=O)[O-]	REAL300013716016	0	42	-1.0	-58.66	350.92	2.60	-56.06
CC(C)(CNC(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O)C(=O)[O-]	REAL300013716017	0	43	-1.0	-65.72	352.37	5.65	-60.07
COC1=CC=C([C@@H]2C[C@H]2NC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013716018	0	43	-1.0	-54.22	348.28	5.87	-48.35
CC(C)(CNC(=O)NCC(O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300013716019	0	39	-1.0	-54.84	339.72	3.00	-51.84
CC(C)(CNC(=O)NCC1CCC(C2=CC=CC=C2)O1)C(=O)[O-]	REAL300013716020	0	46	-1.0	-53.02	368.82	6.28	-46.74
CC(C)(CNC(=O)NC1CCC2=CC(C#N)=CC=C21)C(=O)[O-]	REAL300013716021	0	40	-1.0	-54.71	334.96	6.79	-47.92
CC1CC(NC(=O)NCC(C)(C)C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300013716022	0	51	-1.0	-52.52	374.47	9.30	-43.22
CCC(C)(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300013716023	0	44	-1.0	-50.61	341.19	7.25	-43.36
CC(C)(CNC(=O)NCC(O)C1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300013716024	0	40	-1.0	-55.55	340.94	3.21	-52.34
COC1=CC=CC=C1[C@H](O)CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716025	0	43	-1.0	-53.76	348.46	2.14	-51.62
CC(C)(CNC(=O)NC(CCO)C1=CC=CC=C1F)C(=O)[O-]	REAL300013716026	0	42	-1.0	-54.68	347.43	4.10	-50.58
CC1=CC(CO)=CC(C)=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716027	0	45	-1.0	-52.70	358.61	3.48	-49.22
COC1=CC=C(CC(C)(CO)NC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013716028	0	49	-1.0	-53.35	376.47	2.87	-50.48
CC(C)(CNC(=O)NCC1=CC(O)=CC=C1Cl)C(=O)[O-]	REAL300013716029	0	36	-1.0	-52.73	317.15	2.71	-50.02
COC1=CC=C(OC)C(C(O)C(C)NC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013716030	0	50	-1.0	-54.97	391.36	2.34	-52.63
COC1=CC=C(C(NC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013716031	0	49	-1.0	-53.98	395.54	8.49	-45.49
CC(C)(CNC(=O)NC(C)(CC1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300013716032	0	51	-1.0	-53.26	393.18	9.60	-43.66
CSC1=CC=CC=C1OCC(O)CN(C(=O)NCC(C)(C)C(=O)[O-])C(C)C	REAL300013716033	0	56	-1.0	-58.78	441.08	8.04	-50.74
CC1=CC=C(C(O)C(C)NC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013716034	0	45	-1.0	-53.32	355.10	4.91	-48.41
COC1=CC=C2CC(NC(=O)NCC(C)(C)C(=O)[O-])CCC2=C1	REAL300013716035	0	46	-1.0	-54.59	361.78	6.26	-48.33
CCC1COCCN1CCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716036	0	47	-1.0	-52.08	354.96	1.87	-50.21
CC1CN(CCNC(=O)NCC(C)(C)C(=O)[O-])C(C)CO1	REAL300013716037	0	47	-1.0	-52.07	352.68	1.64	-50.43
CC(C)(CNC(=O)NC(CCO)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300013716038	0	46	-1.0	-51.43	379.90	2.84	-48.59
CC(C)(CNC(=O)NCC(CO)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300013716039	0	42	-1.0	-53.26	343.28	3.85	-49.41
CC(C)(CNC(=O)N1CCCC1CC1=CC=CC=C1Br)C(=O)[O-]	REAL300013716040	0	45	-1.0	-50.41	359.32	9.17	-41.24
CC(C)(CNC(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C(F)(F)F)C(=O)[O-]	REAL300013716041	0	41	-1.0	-52.65	361.91	7.21	-45.44
COC1(CNC(=O)NCC(C)(C)C(=O)[O-])CCCCCC1	REAL300013716042	0	48	-1.0	-49.56	346.00	5.29	-44.27
CC(C)(CNC(=O)NC(CCO)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300013716044	0	42	-1.0	-49.60	367.96	4.04	-45.56
CC(C)CN(CC1=CC=C(F)C(Cl)=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716045	0	47	-1.0	-51.16	387.42	10.41	-40.75
CC(C)(CNC(=O)NCC1=NC=C(Br)C=N1)C(=O)[O-]	REAL300013716046	0	33	-1.0	-50.96	303.09	2.92	-48.04
CC(C)C1CN(C(=O)NCC(C)(C)C(=O)[O-])CCN1CC1=CC=CC=C1	REAL300013716047	1	56	-1.0	-51.11	411.33	8.76	-42.35
CC(C)(C)C(=O)N1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716048	0	51	-1.0	-53.81	377.71	5.02	-48.79
CC(C)(CC1=CC=C2CCCCC2=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716049	0	54	-1.0	-52.25	400.36	9.25	-43.00
CC(C)(C)CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1(C)C	REAL300013716050	0	53	-1.0	-52.54	375.75	8.61	-43.93
CC(C)(CNC(=O)NC1CCCC(C2=NC3=CC=CC=C3N2)C1)C(=O)[O-]	REAL300013716051	0	51	-1.0	-57.11	394.78	7.50	-49.61
CC(C)(CNC(=O)NC(C1CCCOC1)C(F)(F)F)C(=O)[O-]	REAL300013716052	0	42	-1.0	-51.15	334.88	4.14	-47.01
CC(C)(CNC(=O)NC1(C2=CC=C(C(F)(F)F)C=C2)CCC1)C(=O)[O-]	REAL300013716053	0	45	-1.0	-53.78	368.11	7.86	-45.92
COCCN(CC(O)C(F)(F)F)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716054	0	42	-1.0	-50.94	343.04	3.45	-47.49
CC(C)N1C=C(C(C)(C)NC(=O)NCC(C)(C)C(=O)[O-])N=N1	REAL300013716055	0	46	-1.0	-54.42	359.95	4.26	-50.16
CC(C)(CNC(=O)NCC1(N2CCOCC2)CCCOC1)C(=O)[O-]	REAL300013716056	0	52	-1.0	-53.30	375.10	1.23	-52.07
CC(C)(CNC(=O)NCC1=NC=CC(C(F)(F)F)=N1)C(=O)[O-]	REAL300013716057	0	36	-1.0	-54.06	321.69	3.34	-50.72
CC(C)(CNC(=O)NC1(C2=CC=C(Br)C=N2)CCC1)C(=O)[O-]	REAL300013716058	0	41	-1.0	-56.16	351.04	5.91	-50.25
CC(C)(CNC(=O)NCC1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300013716059	0	35	-1.0	-49.45	329.78	6.23	-43.22
CCS(=O)(=O)N1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716060	0	49	-1.0	-58.10	390.19	2.87	-55.23
COC[C@@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@H]1COC	REAL300013716061	0	46	-1.0	-53.71	361.34	4.03	-49.68
CC(C)(CNC(=O)NCCOC1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300013716062	0	39	-1.0	-52.26	334.47	4.88	-47.38
CC(C)(CNC(=O)NCC1=CC=CC(Br)=C1Cl)C(=O)[O-]	REAL300013716063	0	35	-1.0	-52.14	325.54	6.09	-46.05
CC(C)(CNC(=O)N[C@H](CO)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013716065	0	39	-1.0	-50.61	334.79	3.34	-47.27
CC(C)(CNC(=O)N[C@@H](CO)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013716066	0	39	-1.0	-50.58	334.77	3.34	-47.24
CC1=CC=CC=C1C(CO)N(C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716068	0	45	-1.0	-51.80	340.12	5.54	-46.26
COC1=CC=C(Cl)C=C1C(C)(C)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716069	0	45	-1.0	-51.46	361.45	6.38	-45.08
CC(C)(CNC(=O)NC(CCO)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013716070	0	42	-1.0	-50.67	357.14	3.60	-47.07
CC(C)(CNC(=O)N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)C(=O)[O-]	REAL300013716071	0	38	-1.0	-51.04	329.59	6.28	-44.76
CC(C)(CNC(=O)N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)C(=O)[O-]	REAL300013716072	0	38	-1.0	-51.11	329.59	6.29	-44.82
COC1=CC=CC(C(CO)NC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013716073	0	43	-1.0	-52.98	347.56	2.09	-50.89
COC1=CC=C(C(NC(=O)NCC(C)(C)C(=O)[O-])C(F)(F)F)C=C1	REAL300013716074	0	42	-1.0	-52.24	353.26	5.50	-46.74
CCN(CCC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716075	0	47	-1.0	-53.55	391.42	10.28	-43.27
CC(C)(CNC(=O)N1CCCC1C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300013716076	0	41	-1.0	-52.62	349.29	7.13	-45.49
CC(C)(CNC(=O)NC1CCCC2=CC(C#N)=CC=C21)C(=O)[O-]	REAL300013716077	0	43	-1.0	-54.53	345.23	6.98	-47.55
COC1=CC=C(C(C)(C)NC(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300013716078	0	45	-1.0	-53.19	353.72	5.71	-47.48
COC1=CC=CC=C1C(=O)N1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716079	0	50	-1.0	-57.03	390.32	6.81	-50.22
CC(C1=CC=CC=C1)C(O)CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716080	0	45	-1.0	-51.37	352.39	4.30	-47.07
CC(C)(CNC(=O)N1CCC(N2CCCS2(=O)=O)CC1)C(=O)[O-]	REAL300013716081	0	47	-1.0	-59.90	368.88	3.67	-56.23
CC(C)C1=CC=CC=C1OCC(O)CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716082	0	52	-1.0	-53.09	412.75	4.40	-48.69
CC(C)(CNC(=O)NC1(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013716083	0	39	-1.0	-50.89	330.83	6.71	-44.18
CN(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716084	0	48	-1.0	-62.44	396.37	7.87	-54.57
CC(C)(CNC(=O)NC(C)(C)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300013716085	0	44	-1.0	-50.56	356.17	7.35	-43.21
COC1=CC=CC(C(C)(C)NC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013716086	0	45	-1.0	-51.80	347.51	5.64	-46.16
CC(C)(CNC(=O)NC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C(=O)[O-]	REAL300013716087	0	42	-1.0	-52.87	354.78	7.21	-45.66
CC(C)(CNC(=O)NC1CCC2=CC=CC=C2NC1=O)C(=O)[O-]	REAL300013716088	0	43	-1.0	-59.91	342.57	4.59	-55.32
CN1C=CN=C1C(CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716089	0	48	-1.0	-55.66	391.18	8.12	-47.54
CN(C)CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013716092	1	49	-1.0	-53.17	402.57	6.05	-47.12
CC(C)(CNC(=O)N(CCOCCO)C1CCC1)C(=O)[O-]	REAL300013716093	0	46	-1.0	-55.85	343.42	4.38	-51.47
COC1=CC=CC(C2(NC(=O)NCC(C)(C)C(=O)[O-])CCC2)=C1	REAL300013716094	0	46	-1.0	-57.37	358.20	6.03	-51.34
CC(C)(CNC(=O)NC1(C2=CC=CC=C2Cl)CCC1)C(=O)[O-]	REAL300013716095	0	42	-1.0	-51.00	344.66	7.16	-43.84
CC(C)(CNC(=O)NC1(C2=CC=CC(Cl)=C2)CCC1)C(=O)[O-]	REAL300013716096	0	42	-1.0	-52.37	344.89	7.28	-45.09
CC(C)(CNC(=O)NC1(C2=CC=CC=C2F)CCC1)C(=O)[O-]	REAL300013716097	0	42	-1.0	-52.27	328.90	6.39	-45.88
CC(C)(CNC(=O)NC1(C2=CC=CC(F)=C2)CCC1)C(=O)[O-]	REAL300013716098	0	42	-1.0	-52.71	334.57	6.82	-45.89
CC(C)(CNC(=O)NC1(C2=CC=C(F)C=C2)CCC1)C(=O)[O-]	REAL300013716099	0	42	-1.0	-53.78	335.20	6.94	-46.84
CC(C)(CNC(=O)NC1CSCC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300013716100	0	40	-1.0	-52.39	349.77	7.73	-44.66
CC(C)(CNC(=O)N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2)C(=O)[O-]	REAL300013716101	0	43	-1.0	-52.68	356.24	8.18	-44.50
CC1=CC=C(Br)C(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013716103	0	38	-1.0	-51.24	330.81	6.40	-44.84
CC1=CC=C(CN(CC(C)C)C(=O)NCC(C)(C)C(=O)[O-])C(C)=C1	REAL300013716104	0	53	-1.0	-53.30	402.78	11.28	-42.02
CC(C)CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716105	0	50	-1.0	-50.37	400.96	10.90	-39.47
CC(C)(CNC(=O)NCC(O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300013716106	0	39	-1.0	-52.99	352.04	3.78	-49.21
CC(C)C(O)C(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013716107	0	48	-1.0	-52.43	370.30	5.71	-46.72
COCCC1=CC=C(OCC(O)CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013716108	0	53	-1.0	-53.65	430.70	2.90	-50.75
CC(C)(CNC(=O)NC1(C2=CC=CC=C2Br)CCC1)C(=O)[O-]	REAL300013716109	0	42	-1.0	-50.86	347.29	7.32	-43.54
CC(C)(CNC(=O)N1CCC(CO)(C(F)(F)F)C1)C(=O)[O-]	REAL300013716110	0	39	-1.0	-56.54	317.10	2.88	-53.66
CN(CC(O)C1=CC=CC(Br)=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716111	0	42	-1.0	-52.23	356.87	6.26	-45.97
CC(C1=CC=CC(C#N)=C1)N(C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716112	0	42	-1.0	-53.24	338.66	8.09	-45.15
CCCC(C)(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013716113	0	47	-1.0	-50.63	355.74	7.97	-42.66
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C2=NC3=CC=CC=C3N2)CC1)C(=O)[O-]	REAL300013716114	0	51	-1.0	-55.95	394.76	7.50	-48.45
CCOC(=O)C1=C(N)N(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C=N1	REAL300013716118	0	53	-1.0	-59.41	417.10	8.13	-51.28
CC1=C(Br)N2CCN(C(=O)NCC(C)(C)C(=O)[O-])C(C)C2=N1	REAL300013716119	0	42	-1.0	-49.95	349.55	7.15	-42.80
CC(C)(CNC(=O)NC(C1=CC=C(F)C(Cl)=C1)C(F)(F)F)C(=O)[O-]	REAL300013716120	0	38	-1.0	-51.02	346.38	6.77	-44.25
CC(C)(CNC(=O)N1CCC(N2C=C(C(N)=O)N=N2)CC1)C(=O)[O-]	REAL300013716121	0	45	-1.0	-57.78	361.88	1.53	-56.25
CC(C)(CNC(=O)N1CCC(N2C=NNC2=O)CC1)C(=O)[O-]	REAL300013716122	0	42	-1.0	-56.54	332.82	5.50	-51.04
CC(C)(CNC(=O)N(CC1=CC=CC(O)=C1)[C@H]1CC[C@H](O)CC1)C(=O)[O-]	REAL300013716123	0	53	-1.0	-56.80	400.00	5.19	-51.61
CC(C)(CNC(=O)N1CCN(C2CC2)C(C(N)=O)C1)C(=O)[O-]	REAL300013716124	0	45	-1.0	-52.77	343.62	1.05	-51.72
CC(C)C(NC(=O)NCC(C)(C)C(=O)[O-])C(O)C1=CC=C(Cl)C=C1	REAL300013716125	0	48	-1.0	-53.46	380.98	5.61	-47.85
CC(C)(CNC(=O)NC1(CC2=CC=C(Cl)C=C2)CCCOC1)C(=O)[O-]	REAL300013716126	0	49	-1.0	-52.10	387.24	7.12	-44.98
CC(C)(CNC(=O)NC(C1CCCO1)C1(CO)CCC1)C(=O)[O-]	REAL300013716127	0	50	-1.0	-53.08	371.53	2.85	-50.23
CC(C)C(NC(=O)NCC(C)(C)C(=O)[O-])C1(CO)CCC1	REAL300013716128	0	48	-1.0	-54.31	353.99	4.05	-50.26
CN1C=CN=C1C(NC(=O)NCC(C)(C)C(=O)[O-])C(C)(C)CO	REAL300013716129	0	48	-1.0	-51.72	362.73	3.23	-48.49
CC(C)(CC1=CC=C(F)C=C1F)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716130	0	44	-1.0	-53.72	347.04	6.76	-46.96
CC(C)(CNC(=O)NC(C1=CC=CC=C1)C1(CO)CCC1)C(=O)[O-]	REAL300013716131	0	49	-1.0	-53.19	371.44	4.75	-48.44
CC(C)(CNC(=O)N1CCOC(C2=NC(C3CC3)=NO2)C1)C(=O)[O-]	REAL300013716132	0	45	-1.0	-54.57	363.46	4.00	-50.57
CC(=O)NC1=CC=CC2=C1CCN(C(=O)NCC(C)(C)C(=O)[O-])C2	REAL300013716133	0	46	-1.0	-56.30	361.48	6.81	-49.49
CN(C)C1=NOC(C2CCCN2C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013716134	0	45	-1.0	-61.27	362.01	6.15	-55.12
COC(=O)C1CN(C)CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716135	1	46	-1.0	-52.45	354.52	4.72	-47.73
CC(C)(CNC(=O)NC(C1=CC=CS1)C1(CO)CCC1)C(=O)[O-]	REAL300013716136	0	46	-1.0	-52.06	369.76	4.55	-47.51
CC1=CC=C(CC(O)CNC(=O)NCC(C)(C)C(=O)[O-])C(C)=C1	REAL300013716138	0	48	-1.0	-52.24	383.21	4.62	-47.62
CC1=C2NC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC2=CC(Br)=C1	REAL300013716139	0	42	-1.0	-50.69	366.17	6.30	-44.39
CC(C)(CNC(=O)NCCC(O)CCC1=CC=CC=C1)C(=O)[O-]	REAL300013716140	0	48	-1.0	-54.85	386.74	4.99	-49.86
CC1CC(NC(=O)NCC(C)(C)C(=O)[O-])C(=O)N1C1=CN(C)N=C1	REAL300013716142	0	46	-1.0	-67.38	377.04	4.08	-63.30
CC1CCC(C(F)(F)F)CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716143	0	41	-1.0	-49.84	320.69	6.99	-42.85
CC(C)(CNC(=O)NC1CCCC(C2=CC=C(Cl)C=C2)C1)C(=O)[O-]	REAL300013716144	0	48	-1.0	-52.67	388.07	8.80	-43.87
CC(C)(CNC(=O)NC(CO)CCC1=CC=NC=C1)C(=O)[O-]	REAL300013716145	0	44	-1.0	-53.39	359.01	2.71	-50.68
CC(C)C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C(=O)N1CCOCC1	REAL300013716146	0	52	-1.0	-51.25	387.08	4.07	-47.18
CC(C)(CNC(=O)NC(C1CCC1)C1CCCCC1)C(=O)[O-]	REAL300013716147	0	51	-1.0	-51.39	368.71	8.02	-43.37
CC(C)(CNC(=O)NC1CCC2=C(C1)C1=CC(Cl)=CC=C1N2)C(=O)[O-]	REAL300013716148	0	46	-1.0	-53.56	381.25	7.45	-46.11
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=NN=C2N=CC=CN21	REAL300013716149	0	39	-1.0	-59.39	327.67	6.75	-52.64
CC1=NN(C)C=C1C1CCCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716150	0	45	-1.0	-56.84	354.94	6.66	-50.18
CC(C)(CNC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C(=O)[O-]	REAL300013716151	0	38	-1.0	-51.13	312.48	6.13	-45.00
CC(C)(CNC(=O)N1CCC2=C(F)C=C(Br)C=C2C1)C(=O)[O-]	REAL300013716152	0	39	-1.0	-51.05	333.39	8.37	-42.68
CC(C)(CNC(=O)N1CCCC1(C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013716153	0	48	-1.0	-53.65	369.24	9.35	-44.30
CC(C)(CNC(=O)NC(CC1CCCO1)C(F)(F)F)C(=O)[O-]	REAL300013716154	0	42	-1.0	-52.61	341.82	5.08	-47.53
CC(C)(CNC(=O)NCC1(CO)CCC2=CC=CC=C21)C(=O)[O-]	REAL300013716155	0	46	-1.0	-55.65	359.55	4.65	-51.00
CC1CCC(O)C(C2CCCCN2C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716156	0	55	-1.0	-50.17	370.03	6.46	-43.71
CC(C)(CNC(=O)N1CC2=CC=CC=C2C(F)(F)C1)C(=O)[O-]	REAL300013716157	0	39	-1.0	-54.91	318.90	7.77	-47.14
CC(C)(CNC(=O)N1CCCC1CCC1CCCC1)C(=O)[O-]	REAL300013716158	0	51	-1.0	-53.90	378.14	9.40	-44.50
CC(C)(CNC(=O)NC(COC(N)=O)CC1=CC=CC=C1)C(=O)[O-]	REAL300013716159	0	46	-1.0	-58.32	379.75	3.01	-55.31
CC(C)(CNC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2)C(=O)[O-]	REAL300013716160	0	52	-1.0	-52.72	367.75	7.34	-45.38
CC(C)(CNC(=O)NC(CO)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300013716161	0	39	-1.0	-52.87	346.79	3.63	-49.24
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CSC(C(F)(F)F)=C1	REAL300013716162	0	38	-1.0	-51.63	339.93	6.15	-45.48
CC1=CC(Cl)=CC=C1C1=CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716163	0	46	-1.0	-51.82	377.98	10.13	-41.69
CC(C)(CNC(=O)N1CCN2C(=NN=C2C2=CC=C(Cl)C=C2)C1)C(=O)[O-]	REAL300013716164	0	45	-1.0	-54.02	373.98	9.18	-44.84
CC(C)(CNC(=O)N1CC[C@@H](O)[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013716165	0	43	-1.0	-55.72	357.40	6.13	-49.59
CCN(CCOC1=CC=CC=C1C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716166	0	48	-1.0	-58.11	378.95	9.25	-48.86
CC(C)(CNC(=O)N1CC(O)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013716168	0	43	-1.0	-56.70	343.30	5.35	-51.35
COC1=CC=C(Br)C=C1C1(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716169	0	43	-1.0	-53.31	366.55	6.30	-47.01
CC(C)(CNC(=O)N1CCSC2(CCC2)CC1)C(=O)[O-]	REAL300013716170	0	43	-1.0	-51.40	324.26	7.62	-43.78
CC(C)(CNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1)C(=O)[O-]	REAL300013716171	0	45	-1.0	-70.49	333.85	4.52	-65.97
CC(C)(CNC(=O)N1CC(C2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300013716172	0	49	-1.0	-51.24	374.16	9.68	-41.56
CC(C)(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(N)=O)C1)C(=O)[O-]	REAL300013716173	0	46	-1.0	-61.21	366.02	4.81	-56.40
CC(C)(CNC(=O)N1CCC(C(N)=O)(C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013716174	0	46	-1.0	-55.95	364.60	4.52	-51.43
COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@H]1C1=CC=CC=C1	REAL300013716175	0	48	-1.0	-52.84	384.84	8.69	-44.15
CC(C)(CNC(=O)NC(CO)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300013716176	0	42	-1.0	-54.46	345.86	3.40	-51.06
COC(=O)CC1CC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716177	0	44	-1.0	-58.26	354.48	5.56	-52.70
CC(C)(CNC(=O)N1CC(C)(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013716178	0	48	-1.0	-53.37	373.07	9.79	-43.58
CC(C)(CNC(=O)NC(C1CCOCC1)C1(CO)CCC1)C(=O)[O-]	REAL300013716179	0	53	-1.0	-56.44	383.05	3.37	-53.07
COC1=CC=C(Cl)C=C1C(C)(C)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716180	0	45	-1.0	-51.46	361.45	6.38	-45.08
CC(C)(CNC(=O)N1CCCC1(C)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300013716181	0	48	-1.0	-59.03	366.88	9.62	-49.41
COCCN1[C@H](C)CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@@H]1C	REAL300013716183	1	50	-1.0	-52.14	361.22	4.15	-47.99
CC(C)(CNC(=O)N1CCCC1(C)CC1=CC=CC=C1F)C(=O)[O-]	REAL300013716184	0	48	-1.0	-58.80	361.34	9.43	-49.37
CC1=CC(CN(C(=O)NCC(C)(C)C(=O)[O-])C2CC2)=CC(S(N)(=O)=O)=C1C	REAL300013716185	0	53	-1.0	-57.43	416.63	4.94	-52.49
C[C@H]1[C@H](C2=CC=CC(F)=C2)OCCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716186	0	46	-1.0	-51.59	358.04	7.42	-44.17
CC(C)(CNC(=O)NC(C1=CC=NC=C1)C1(CO)CCC1)C(=O)[O-]	REAL300013716187	0	48	-1.0	-53.55	365.95	3.33	-50.22
CC(C)C(NC(=O)NCC(C)(C)C(=O)[O-])C1(CO)CC=CC1	REAL300013716188	0	49	-1.0	-51.94	350.50	4.12	-47.82
CC(CSC1=CC=CC=C1)N(C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716189	0	45	-1.0	-56.98	365.27	9.42	-47.56
CC(C)(CNC(=O)N1CCCC1(C)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013716190	0	48	-1.0	-57.18	377.20	10.07	-47.11
CC(C)(CNC(=O)N1CCC2(CC1)C(F)(F)C2(F)F)C(=O)[O-]	REAL300013716191	0	39	-1.0	-50.22	322.59	7.17	-43.05
COC1=CC=C(Cl)C2=C1CCCC2N(C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716192	0	49	-1.0	-54.16	377.65	8.38	-45.78
CC1CC1C1=NOC(CC2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)=N1	REAL300013716193	0	53	-1.0	-54.89	412.74	7.82	-47.07
CC(C)(CNC(=O)NC(C)(C)C1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300013716194	0	42	-1.0	-53.73	338.86	6.73	-47.00
CC(C)(CNC(=O)N1C2CCCC1CC(F)(F)C2)C(=O)[O-]	REAL300013716195	0	42	-1.0	-50.75	315.02	7.32	-43.43
CC(C)(CNC(=O)NC1CC2=CC=CC=C2N(C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013716196	0	46	-1.0	-54.07	377.73	6.29	-47.78
C[C@@H]1CN(CC2=CC=C(CN(C)C(=O)NCC(C)(C)C(=O)[O-])C=C2)C[C@H](C)O1	REAL300013716198	1	60	-1.0	-55.44	459.69	8.09	-47.35
COC(=O)[C@]12CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@H]1CCCC2	REAL300013716199	0	48	-1.0	-50.97	362.86	7.39	-43.58
CC(C)OC(=O)CC(NC(=O)NCC(C)(C)C(=O)[O-])C(C)C	REAL300013716200	0	49	-1.0	-58.76	379.11	6.49	-52.27
CC(C)C1=CC=C(C(C)(C)NC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013716201	0	50	-1.0	-50.29	377.65	8.28	-42.01
CC(C)(CNC(=O)NC1(C2=CC=C(Br)C=C2)CCCCC1)C(=O)[O-]	REAL300013716202	0	48	-1.0	-52.47	378.87	9.17	-43.30
COC1CCCC(C(CO)NC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716203	0	49	-1.0	-52.28	373.66	2.14	-50.14
CC(C)(CNC(=O)N1CCC(O)(C2CCOC2)CC1)C(=O)[O-]	REAL300013716204	0	47	-1.0	-52.76	345.07	3.37	-49.39
CC(C)(CNC(=O)N1CCN(C(=O)CCO)CC1)C(=O)[O-]	REAL300013716205	0	43	-1.0	-56.40	335.31	1.90	-54.50
CC(C)(CNC(=O)N1CCC(C2=CC=C(CO)C=C2)CC1)C(=O)[O-]	REAL300013716206	0	49	-1.0	-54.93	378.99	6.33	-48.60
CC(CC1=CC=C(F)C=C1)N(C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716207	0	44	-1.0	-57.12	348.49	9.07	-48.05
CC(C)(CNC(=O)NCC1=NC(C(F)(F)F)=NO1)C(=O)[O-]	REAL300013716208	0	33	-1.0	-49.11	302.26	1.01	-48.10
CC(C)(CNC(=O)N[C@H](CO)CCC1=CC=CC=C1)C(=O)[O-]	REAL300013716209	0	45	-1.0	-52.00	364.13	4.48	-47.52
CC(C)(CNC(=O)N[C@@H](CO)CCC1=CC=CC=C1)C(=O)[O-]	REAL300013716210	0	45	-1.0	-51.94	364.13	4.48	-47.46
CC(C)(CNC(=O)N[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300013716211	0	39	-1.0	-52.92	330.70	6.67	-46.25
CC(C)(CNC(=O)N1CCCC(CC(F)(F)F)C1)C(=O)[O-]	REAL300013716212	0	41	-1.0	-53.93	323.82	7.06	-46.87
CC(C)(CNC(=O)NCCCCN1C=C(C(N)=O)N=N1)C(=O)[O-]	REAL300013716213	0	44	-1.0	-61.61	370.55	-0.02	-61.63
CC(C)(CNC(=O)N1CCCC(CC2CCOC2)C1)C(=O)[O-]	REAL300013716214	0	49	-1.0	-53.60	362.72	6.81	-46.79
CC(C)(CNC(=O)NC(CCC1=CC=CC=C1)C(F)F)C(=O)[O-]	REAL300013716215	0	44	-1.0	-49.83	365.51	7.93	-41.90
CC(C)(CNC(=O)NC1(C2=CC=C(C#N)C=C2)CCC1)C(=O)[O-]	REAL300013716216	0	43	-1.0	-54.96	349.16	7.18	-47.78
CC(C)(CNC(=O)NCC1=CC(OCC(F)F)=CC=N1)C(=O)[O-]	REAL300013716217	0	41	-1.0	-58.15	350.75	3.83	-54.32
CC(C)(CNC(=O)NC(C1=CC=CC=C1OC(F)F)C(F)(F)F)C(=O)[O-]	REAL300013716218	0	42	-1.0	-52.95	364.59	6.48	-46.47
CC(C)(CNC(=O)NC(C)(C)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300013716219	0	47	-1.0	-51.93	363.96	8.60	-43.33
CC(C)(CNC(=O)NC1(C2=CC=CC(OC(F)(F)F)=C2)CC1)C(=O)[O-]	REAL300013716220	0	43	-1.0	-52.79	362.54	6.23	-46.56
CC(C)(CNC(=O)NC(C1=CC=CN=C1)C(C)(C)CO)C(=O)[O-]	REAL300013716221	0	47	-1.0	-51.55	353.20	2.77	-48.78
CC(C)(CNC(=O)NC(C1=CC=CS1)C(C)(C)CO)C(=O)[O-]	REAL300013716222	0	45	-1.0	-53.85	359.29	3.75	-50.10
CC(C)(CNC(=O)NC(C1=CC=C(OC(F)F)C=C1)C(F)(F)F)C(=O)[O-]	REAL300013716223	0	42	-1.0	-53.55	363.01	5.78	-47.77
CC(C)(CNC(=O)NC1CCC2=CC(O)=CC=C2C1)C(=O)[O-]	REAL300013716224	0	43	-1.0	-55.14	342.68	4.11	-51.03
CN(C(=O)NCC(C)(C)C(=O)[O-])C(C1=NC=CN1)C1=CC=C(F)C=C1	REAL300013716225	0	45	-1.0	-52.54	363.80	8.50	-44.04
CC1=CC=CC(C)=C1CN(CC(C)C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716226	0	53	-1.0	-51.69	386.21	10.45	-41.24
COC1=CC=C([C@@H](NC(=O)NCC(C)(C)C(=O)[O-])C(F)(F)F)C=C1F	REAL300013716227	0	42	-1.0	-53.17	359.46	5.58	-47.59
CC(=O)C1=CC=C2CN(C(=O)NCC(C)(C)C(=O)[O-])CC2=C1	REAL300013716228	0	41	-1.0	-57.73	334.40	7.14	-50.59
CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1NC(=O)C(F)(F)F	REAL300013716229	0	45	-1.0	-57.67	363.37	5.33	-52.34
CC(C)(CNC(=O)N1CCC2(C1)C(=O)NC1=CC=CC=C12)C(=O)[O-]	REAL300013716230	0	44	-1.0	-58.86	354.24	5.57	-53.29
CC(C)(CNC(=O)N1CCOC2=C(Br)C=CC=C2C1)C(=O)[O-]	REAL300013716231	0	40	-1.0	-51.11	335.02	7.29	-43.82
CC(C)NS(=O)(=O)N1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716232	0	48	-1.0	-56.48	376.44	2.03	-54.45
CCS(=O)(=O)C1=CC(Cl)=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013716235	0	44	-1.0	-57.11	390.65	4.04	-53.07
CC1=CC=CC(C2(NC(=O)NCC(C)(C)C(=O)[O-])CCC2)=C1	REAL300013716236	0	45	-1.0	-53.64	352.89	7.55	-46.09
CC(C)(CNC(=O)NCC1=CC=C(NC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300013716237	1	46	-1.0	-53.29	377.36	5.72	-47.57
CC(C)(CNC(=O)N1CCC(F)(F)C2(CCOC2)C1)C(=O)[O-]	REAL300013716239	0	43	-1.0	-51.17	330.36	5.53	-45.64
CCC1(CC2=CC=CC=C2)CCCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716240	0	51	-1.0	-54.55	375.50	10.44	-44.11
CC1=CC(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])C2)=C(O)C=C1Cl	REAL300013716241	0	46	-1.0	-55.04	376.63	6.38	-48.66
CC1C(=O)NC2=CC=CC=C2CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716242	0	43	-1.0	-51.91	336.93	6.06	-45.85
CN(C(=O)NCC(C)(C)C(=O)[O-])C(CO)C1=CC=CC(Cl)=C1Cl	REAL300013716243	0	42	-1.0	-55.72	353.81	6.16	-49.56
CSC1=CC=C(C2(NC(=O)NCC(C)(C)C(=O)[O-])CCOC2)C=C1	REAL300013716244	0	47	-1.0	-54.65	375.71	6.12	-48.53
CC(C)(CNC(=O)NC(CO)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300013716246	0	39	-1.0	-51.92	329.65	2.89	-49.03
CC(C)(CNC(=O)N1CCC(C)(NC(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013716247	0	42	-1.0	-59.45	348.57	3.79	-55.66
C[C@@H]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C[C@@H]1NC(=O)C(F)(F)F	REAL300013716248	0	45	-1.0	-57.97	363.92	5.32	-52.65
CC(C)(CNC(=O)NC(C1=CC=CC=C1)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300013716249	0	49	-1.0	-54.91	405.30	8.77	-46.14
CN1N=CC2=C1CC(C)(C)CN(C(=O)NCC(C)(C)C(=O)[O-])C2	REAL300013716250	0	48	-1.0	-57.84	361.28	7.29	-50.55
CN1CC2=CC=CC=C2C(NC(=O)NCC(C)(C)C(=O)[O-])C1=O	REAL300013716251	0	43	-1.0	-63.39	347.85	4.93	-58.46
CC(C)(CNC(=O)N1CC2=CC=CN=C2N2C[C@H](O)C[C@H]2C1)C(=O)[O-]	REAL300013716252	0	48	-1.0	-56.44	365.99	3.70	-52.74
CO[C@@H]1C[C@@H]2CN(C(=O)NCC(C)(C)C(=O)[O-])CC3=CC=CN=C3N2C1	REAL300013716253	0	51	-1.0	-58.88	386.95	6.16	-52.72
CCOC(=O)CCCCCCCCCCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716254	0	64	-1.0	-55.54	502.65	10.85	-44.69
CC(C)(CNC(=O)N[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)C(=O)[O-]	REAL300013716255	0	43	-1.0	-52.78	358.54	6.77	-46.01
CN1C2(CCC2)COCC1(CO)CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716256	0	52	-1.0	-52.43	370.05	-0.70	-53.13
CC(C)(CNC(=O)N1C[C@](C)(CO)[C@](C)(CO)C1)C(=O)[O-]	REAL300013716257	0	46	-1.0	-56.48	342.11	0.03	-56.45
CC(C)(CNC(=O)N1CCC(C(F)C(N)=O)CC1)C(=O)[O-]	REAL300013716258	0	42	-1.0	-61.37	326.72	2.93	-58.44
COC1=CC=CC(C(O)C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013716259	0	53	-1.0	-55.64	403.42	5.95	-49.69
CC(C)(CNC(=O)N1CC[C@@H](O)[C@H]1C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300013716260	0	43	-1.0	-55.71	361.96	6.23	-49.48
CC(C)(CNC(=O)N1CC2=CNN=C2CC(C)(C)C1)C(=O)[O-]	REAL300013716261	0	45	-1.0	-55.94	340.41	6.12	-49.82
COC1CC2CN(C(=O)NCC(C)(C)C(=O)[O-])CC3=CC=CN=C3N2C1	REAL300013716262	0	51	-1.0	-55.95	387.37	6.08	-49.87
CC(C)(CNC(=O)N1CCOCC1C1CCOC1)C(=O)[O-]	REAL300013716263	0	44	-1.0	-52.70	320.65	3.52	-49.18
CCOC(=O)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCCOC1	REAL300013716264	0	48	-1.0	-52.75	370.92	4.95	-47.80
CC(C)(CNC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1)C(=O)[O-]	REAL300013716265	0	39	-1.0	-52.65	322.38	2.88	-49.77
CC(C)(CNC(=O)NC(C)(CO)CC1=CC=CC=C1F)C(=O)[O-]	REAL300013716266	0	45	-1.0	-53.80	348.65	3.73	-50.07
COC1=CC=CC=C1CC(C)(CO)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716267	0	49	-1.0	-53.01	372.69	3.13	-49.88
CC(C)(CNC(=O)N1CCC(C2=NC=CC(C3=CC=CN=C3)=N2)CC1)C(=O)[O-]	REAL300013716268	0	52	-1.0	-58.55	410.48	8.17	-50.38
CC(C)(CNC(=O)NC(C)(CO)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300013716269	0	45	-1.0	-52.25	369.74	4.15	-48.10
CC(C)(CNC(=O)NC(C)(CO)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013716270	0	45	-1.0	-52.70	354.27	3.60	-49.10
CC(C)(CNC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)C(=O)[O-]	REAL300013716271	0	50	-1.0	-58.49	398.68	2.56	-55.93
CCOC(=O)C1CN(C(=O)NCC(C)(C)C(=O)[O-])CCC1(F)F	REAL300013716272	0	44	-1.0	-51.71	353.81	7.14	-44.57
CC(C)(CNC(=O)N1CCC(C2=NC=CC(N3CCOCC3)=N2)CC1)C(=O)[O-]	REAL300013716273	0	56	-1.0	-56.36	424.63	5.96	-50.40
CC(C)(CNC(=O)N1CC2=CC=CN=C2N2CCC[C@@H]2C1)C(=O)[O-]	REAL300013716274	0	47	-1.0	-56.58	355.08	7.01	-49.57
CC(C)(CNC(=O)N1CC2=CC=CN=C2N2CCC[C@H]2C1)C(=O)[O-]	REAL300013716275	0	47	-1.0	-56.49	354.48	7.12	-49.37
CC(C)(CNC(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)[O-]	REAL300013716276	0	39	-1.0	-51.80	318.70	6.22	-45.58
CC(C)(CNC(=O)NC1(C2CCCC3=CC=CC=C32)CC1)C(=O)[O-]	REAL300013716277	0	49	-1.0	-51.56	365.67	8.58	-42.98
CC(C)(CNC(=O)NCC1=CC=C2C(=O)C=CNC2=C1)C(=O)[O-]	REAL300013716278	0	41	-1.0	-61.32	342.07	4.94	-56.38
CC(C)(CNC(=O)N1CCN(S(=O)(=O)C2=NNC=C2)CC1)C(=O)[O-]	REAL300013716279	0	44	-1.0	-60.18	362.52	1.47	-58.71
CC(C)(CNC(=O)NCCCN1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013716280	1	47	-1.0	-59.68	363.28	-0.42	-60.10
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(N2CCNC2=O)C=C1	REAL300013716281	0	48	-1.0	-61.80	381.75	4.70	-57.10
COC1=CC(CCCNC(=O)NCC(C)(C)C(=O)[O-])=CC(OC)=C1O	REAL300013716282	0	50	-1.0	-56.86	403.65	3.70	-53.16
CC(C)(CNC(=O)NC(C1CCCCC1)C1CCCCC1)C(=O)[O-]	REAL300013716283	0	57	-1.0	-51.74	400.27	9.08	-42.66
CC(C)(CNC(=O)NCC1(CC(N)=O)CCCCC1)C(=O)[O-]	REAL300013716284	0	48	-1.0	-53.80	351.59	2.70	-51.10
CC1=NN(C2=CC=CC=C2)C=C1CCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716286	0	51	-1.0	-56.73	414.30	8.43	-48.30
CC(C)(CNC(=O)NC1CCC(C2=CC=C(Cl)C=C2)C1)C(=O)[O-]	REAL300013716287	0	45	-1.0	-53.17	370.13	8.23	-44.94
CC(C)(CNC(=O)NCC1=NC=C2COCCC2=N1)C(=O)[O-]	REAL300013716288	0	41	-1.0	-54.40	335.64	2.33	-52.07
CC1=CC=C(OC2=CC=CC=C2CCNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013716289	0	52	-1.0	-55.82	422.55	9.49	-46.33
CO[C@H]1C2=CC=CC=C2C[C@H]1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716291	0	43	-1.0	-51.51	345.87	5.74	-45.77
CC(C)(CNC(=O)NCC1(C2=C(F)C=CC=C2F)CCC1)C(=O)[O-]	REAL300013716292	0	45	-1.0	-51.77	361.47	7.62	-44.15
CC(C)(CNC(=O)NCC1=NN=C(C2=CC=NC=C2)N1)C(=O)[O-]	REAL300013716293	0	40	-1.0	-55.31	341.19	3.63	-51.68
CC(C)(CNC(=O)NCC1=NNC(C2=CC=NC=C2)=N1)C(=O)[O-]	REAL300013716293	1	40	-1.0	-54.64	341.52	3.25	-51.39
CC(C)(CNC(=O)NCCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300013716294	0	43	-1.0	-64.69	341.24	1.46	-63.23
CC(C)(CNC(=O)NCC1(CS(C)(=O)=O)CCC1)C(=O)[O-]	REAL300013716295	0	44	-1.0	-66.07	353.92	2.44	-63.63
COC1=CC=CC([C@@H]2C[C@H]2CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013716296	0	46	-1.0	-54.21	369.72	6.55	-47.66
CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716297	0	44	-1.0	-52.83	352.03	5.87	-46.96
COC(=O)C1=CN=C(C(C)NC(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013716298	0	40	-1.0	-51.84	352.72	3.96	-47.88
CC(C)(CNC(=O)N[C@@H]1CCO[C@@H](C2=CC=CN=C2)C1)C(=O)[O-]	REAL300013716299	0	45	-1.0	-53.63	356.20	4.83	-48.80
CCO[C@@H]1C[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1SC	REAL300013716300	0	43	-1.0	-56.96	357.25	4.71	-52.25
COC1=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C(Br)C=C1O	REAL300013716301	0	40	-1.0	-52.68	350.20	2.86	-49.82
CC(C)(CNC(=O)NCC1=NC(C2CCCO2)=NN1)C(=O)[O-]	REAL300013716302	0	42	-1.0	-53.35	345.71	2.08	-51.27
CC(C)(CNC(=O)NCC1=NNC(C2CCCO2)=N1)C(=O)[O-]	REAL300013716302	1	42	-1.0	-52.32	344.45	2.22	-50.10
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])CCCN1C1CC1	REAL300013716303	1	57	-1.0	-53.98	425.04	6.77	-47.21
CC(C)(CNC(=O)NC[C@@H]1CC(=O)N(C2CC2)[C@H]1C1=CC=NC=C1)C(=O)[O-]	REAL300013716304	0	52	-1.0	-55.97	413.39	6.35	-49.62
CC(C)(CNC(=O)NC1CCCCN2C(=O)NN=C12)C(=O)[O-]	REAL300013716305	0	42	-1.0	-58.74	334.12	3.12	-55.62
CC(C)(CNC(=O)N[C@H]1C[C@H](SC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013716306	0	43	-1.0	-52.17	357.35	7.70	-44.47
CCOC(=O)CC1=CSC(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)=N1	REAL300013716307	0	53	-1.0	-57.38	432.61	8.43	-48.95
CC(C)(CNC(=O)NC(C1=CC=CC(C#N)=C1)C(F)(F)F)C(=O)[O-]	REAL300013716308	0	39	-1.0	-55.33	344.57	6.59	-48.74
COC1=CC=C(CC(C)(CO)NC(=O)NCC(C)(C)C(=O)[O-])C=C1OC	REAL300013716309	0	53	-1.0	-55.81	406.23	2.76	-53.05
CC(C)(CNC(=O)N1CCCC1(C)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013716310	0	48	-1.0	-56.93	381.77	10.18	-46.75
CN(C)CC1=C2CN(C(=O)NCC(C)(C)C(=O)[O-])CCN2N=C1	REAL300013716311	1	47	-1.0	-51.32	365.96	4.09	-47.23
CC(C)(CNC(=O)NC1(C2=CC(Cl)=CC(Br)=C2)CC1)C(=O)[O-]	REAL300013716312	0	39	-1.0	-52.66	355.13	7.56	-45.10
CC(C)(CNC(=O)NCC(O)C(F)(F)C(F)(F)F)C(=O)[O-]	REAL300013716313	0	35	-1.0	-51.41	311.86	1.16	-50.25
CC(C)(CNC(=O)N1CC2=CC=CC=C2N2CCC[C@@H]2C1)C(=O)[O-]	REAL300013716314	0	48	-1.0	-54.32	357.09	7.65	-46.67
CC(C)(CNC(=O)NC1(C2=CC=C(Br)C=C2)CC(F)C1)C(=O)[O-]	REAL300013716315	0	42	-1.0	-55.14	355.68	7.69	-47.45
CC(C)(CNC(=O)N1CC2=CC=CC=C2N2CCC[C@H]2C1)C(=O)[O-]	REAL300013716316	0	48	-1.0	-54.36	356.90	7.58	-46.78
CC(C)(CNC(=O)N[C@]1(C2=CC=CC=C2)C[C@@H](F)C1)C(=O)[O-]	REAL300013716317	0	42	-1.0	-53.46	335.62	6.90	-46.56
CC(C)(CNC(=O)NC[C@]1(C2=CC=CC=C2)C[C@H](O)C1)C(=O)[O-]	REAL300013716318	0	46	-1.0	-54.27	362.36	4.45	-49.82
CC(C)(CNC(=O)NC(C)(C)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300013716319	0	41	-1.0	-50.81	328.78	6.30	-44.51
CC(C)(CNC(=O)N1C[C@@H]2C[C@H]1CN2C1=CC=CC=C1)C(=O)[O-]	REAL300013716320	0	45	-1.0	-53.15	342.05	6.34	-46.81
CO[C@]12CCC[C@@]1(NC(=O)NCC(C)(C)C(=O)[O-])CCO2	REAL300013716321	0	44	-1.0	-50.33	330.27	3.43	-46.90
CC(C)(CNC(=O)N[C@@H]1CN(CC2=CC=CC=C2)C[C@H]1C(F)(F)F)C(=O)[O-]	REAL300013716322	0	50	-1.0	-53.25	407.83	5.95	-47.30
CC(C)(CNC(=O)NCC1(S(N)(=O)=O)CCC1)C(=O)[O-]	REAL300013716323	0	40	-1.0	-55.20	329.84	-0.54	-55.74
CC(C)(CNC(=O)NC(C1=CC=C(Cl)C=C1Cl)C(F)(F)F)C(=O)[O-]	REAL300013716324	0	38	-1.0	-52.15	350.87	7.08	-45.07
CN1CCOCC1(CO)CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716325	0	45	-1.0	-52.65	336.85	-2.04	-54.69
CN(CC1=NC=C(Br)C=N1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716326	0	36	-1.0	-53.98	320.45	5.37	-48.61
COC(=O)C1(CCCCNC(=O)NCC(C)(C)C(=O)[O-])CCC1	REAL300013716327	0	50	-1.0	-57.22	392.98	6.86	-50.36
CC(C)(CNC(=O)NC1(C2=CC=C3OCCOC3=C2)CC1)C(=O)[O-]	REAL300013716328	0	45	-1.0	-57.68	360.83	5.79	-51.89
CC(C)(CNC(=O)N[C@H]1C2=CC=CC=C2OC[C@H]1CO)C(=O)[O-]	REAL300013716329	0	44	-1.0	-52.69	345.17	2.69	-50.00
CC(C)(CNC(=O)N[C@H]1C[C@@](CO)(C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013716330	0	46	-1.0	-53.93	359.55	4.48	-49.45
CC(C)(CNC(=O)NC1CC2=CC(Br)=CN=C2NC1=O)C(=O)[O-]	REAL300013716331	0	39	-1.0	-58.88	344.31	3.36	-55.52
CC(C)(CNC(=O)NC1(C)CCOC2=CC=CC=C21)C(=O)[O-]	REAL300013716332	0	43	-1.0	-49.74	331.39	5.42	-44.32
CC(C)(CNC(=O)NC1(C2=NC=C(Br)C=N2)CCC1)C(=O)[O-]	REAL300013716333	0	40	-1.0	-54.67	346.61	4.75	-49.92
CC(C)(CNC(=O)NCC1=CC=CC(Cl)=C1O)C(=O)[O-]	REAL300013716334	0	36	-1.0	-51.98	317.16	2.88	-49.10
CC(C)(CNC(=O)N1CC2=NC=CC=C2N2CCC[C@H]2C1)C(=O)[O-]	REAL300013716335	0	47	-1.0	-54.71	352.03	5.88	-48.83
CN(CCC1=NC=CC(C(F)(F)F)=N1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716336	0	42	-1.0	-59.75	360.81	6.48	-53.27
CC(C)(CNC(=O)NC[C@H](O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300013716337	0	45	-1.0	-55.88	365.20	1.96	-53.92
CC(C)(CNC(=O)N[C@@H]1COC[C@@H]1N1C=C(Br)C=N1)C(=O)[O-]	REAL300013716338	0	40	-1.0	-52.02	341.66	3.35	-48.67
CC(C)(CNC(=O)N1CCC2=C(C1)C(=O)C(Br)=CN2)C(=O)[O-]	REAL300013716339	0	39	-1.0	-62.06	331.43	5.92	-56.14
COC(=O)C1=CN(C2CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)N=N1	REAL300013716340	0	50	-1.0	-62.27	396.13	6.53	-55.74
CC(C)(CNC(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1)C(=O)[O-]	REAL300013716341	0	50	-1.0	-57.25	362.26	1.29	-55.96
CC(C)(CNC(=O)N1C[C@@]2(CO)C[C@@]2(C(F)(F)F)C1)C(=O)[O-]	REAL300013716342	0	40	-1.0	-52.04	333.71	3.73	-48.31
CC(C)(CNC(=O)NC(C1=CC=CC=C1)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300013716343	0	45	-1.0	-51.19	400.15	10.20	-40.99
CC1CCCN(C(=O)CCNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716344	0	48	-1.0	-61.25	371.47	4.99	-56.26
CN1CCCC2(CCN(C(=O)NCC(C)(C)C(=O)[O-])C2)C1=O	REAL300013716345	0	46	-1.0	-57.74	348.18	5.47	-52.27
CC(C)(CNC(=O)N[C@H]1C[C@H](S(=O)(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013716346	0	45	-1.0	-58.40	377.85	4.34	-54.06
CCOC(=O)CSC(CNC(=O)NCC(C)(C)C(=O)[O-])C(F)(F)F	REAL300013716347	0	44	-1.0	-55.53	384.18	6.14	-49.39
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716348	0	42	-1.0	-61.34	338.53	3.69	-57.65
CC(C)(CNC(=O)NC1CCC2=CC=CC3=CC=CC1=C32)C(=O)[O-]	REAL300013716349	0	45	-1.0	-55.25	350.31	8.08	-47.17
CC(C)(CNC(=O)NC1CCC2=CC(Br)=CC=C2NC1=O)C(=O)[O-]	REAL300013716350	0	43	-1.0	-58.68	363.89	5.23	-53.45
C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(S(N)(=O)=O)C=C1	REAL300013716351	0	43	-1.0	-57.64	363.48	0.94	-56.70
CC(C)(CNC(=O)NC1CC2(C1)CS(=O)(=O)C2)C(=O)[O-]	REAL300013716352	0	39	-1.0	-60.43	325.82	1.29	-59.14
CC(C)(CNC(=O)NC1CC(O)C12CCOCC2)C(=O)[O-]	REAL300013716353	0	44	-1.0	-53.19	333.81	1.62	-51.57
CC(C)(CNC(=O)NCCC1=CC(F)=CC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013716354	0	52	-1.0	-55.47	430.93	9.24	-46.23
COC(=O)C1CC2CC(NC(=O)NCC(C)(C)C(=O)[O-])C2C1	REAL300013716355	0	45	-1.0	-59.50	351.69	6.44	-53.06
CC(C)(CNC(=O)NCC1=NSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300013716356	0	37	-1.0	-51.01	338.59	5.66	-45.35
COC(=O)C1CC2(C1)CC(NC(=O)NCC(C)(C)C(=O)[O-])CCS2	REAL300013716357	0	49	-1.0	-53.34	395.34	7.01	-46.33
COC(=O)C[C@@H]1CC[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716358	0	44	-1.0	-57.26	349.39	5.55	-51.71
CCOC(=O)[C@@H]1C[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])CCO1	REAL300013716359	0	45	-1.0	-53.73	358.17	5.22	-48.51
COC(=O)C1CC2(C1)CC(NC(=O)NCC(C)(C)C(=O)[O-])CCS2(=O)=O	REAL300013716360	0	51	-1.0	-61.47	410.47	3.32	-58.15
CC(C)(CNC(=O)NC1CCC2(CS(=O)(=O)C2)CC1)C(=O)[O-]	REAL300013716361	0	45	-1.0	-60.78	352.37	2.55	-58.23
COC1=CC(OC)=CC(CCNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013716362	0	46	-1.0	-56.11	372.25	4.50	-51.61
CN1N=CC=C1C[C@H]1CCCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716363	0	45	-1.0	-55.59	348.76	6.45	-49.14
CC(C)(CNC(=O)N1CCCC1(C)CC1=CC(F)=CC=C1F)C(=O)[O-]	REAL300013716364	0	48	-1.0	-53.19	372.35	9.36	-43.83
CC(C)(CNC(=O)N1C[C@@]2(CO)CC[C@@]2(CO)C1)C(=O)[O-]	REAL300013716365	0	44	-1.0	-56.69	340.44	0.16	-56.53
CC(C)(C)C1=CC=C(C2(NC(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013716366	0	51	-1.0	-53.47	395.53	8.66	-44.81
CC(C)(CNC(=O)N1CCC(=CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013716367	0	43	-1.0	-51.54	345.47	8.59	-42.95
CC(C)(CNC(=O)N(CC1=CC=C2OCOC2=C1)CC1CC1)C(=O)[O-]	REAL300013716368	0	48	-1.0	-58.86	387.37	8.71	-50.15
CC(C)(CNC(=O)NC(CCC1=CC=CC=C1)CC(F)(F)F)C(=O)[O-]	REAL300013716369	0	47	-1.0	-57.19	380.67	8.22	-48.97
CC1=C(CNC(=O)NCC(C)(C)C(=O)[O-])N2CCCCC2=N1	REAL300013716370	0	45	-1.0	-52.83	354.23	5.73	-47.10
CC(C)(CNC(=O)N1C[C@H]2[C@](C(F)(F)F)(CCS2(=O)=O)C1)C(=O)[O-]	REAL300013716371	0	42	-1.0	-54.31	349.62	3.34	-50.97
CCC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300013716372	0	47	-1.0	-50.81	365.30	7.71	-43.10
CC(C)(CNC(=O)NC(CN1CCCS1(=O)=O)C1CC1)C(=O)[O-]	REAL300013716373	0	47	-1.0	-57.28	373.23	3.64	-53.64
CC(C)(CNC(=O)NCC1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300013716374	0	35	-1.0	-50.65	313.67	4.47	-46.18
COCCOCCOCCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716375	0	59	-1.0	-56.61	451.90	6.43	-50.18
COC1=CC=C2C(=C1)CCN(C(=O)NCC(C)(C)C(=O)[O-])C2C	REAL300013716376	0	46	-1.0	-52.59	355.29	7.68	-44.91
CCC1=CC=C2CN(C(=O)NCC(C)(C)C(=O)[O-])CCC2=C1	REAL300013716377	0	45	-1.0	-51.45	349.81	9.14	-42.31
CC(C)(CNC(=O)NCC1CC2=CC(Br)=CC=C2O1)C(=O)[O-]	REAL300013716378	0	40	-1.0	-51.98	348.10	5.69	-46.29
CC(C)(CNC(=O)NCC1(C2=CC=CC=C2)CC(F)(F)C1)C(=O)[O-]	REAL300013716379	0	45	-1.0	-53.28	364.47	7.72	-45.56
COC1=C(F)C=CC=C1CC1CCCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716380	0	49	-1.0	-52.29	383.77	8.63	-43.66
CC(C)(CNC(=O)NCC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300013716381	0	34	-1.0	-50.26	314.63	4.18	-46.08
CC(C)(CNC(=O)N1CCC(CCN2CCCS2(=O)=O)CC1)C(=O)[O-]	REAL300013716382	0	53	-1.0	-61.57	411.50	5.13	-56.44
COC1=CC=C(C[C@@H]2CCCN2C(=O)NCC(C)(C)C(=O)[O-])C=C1OC	REAL300013716383	0	53	-1.0	-56.84	410.82	8.16	-48.68
CN1C(=O)C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@H]1C1=CC=C(Cl)C=C1	REAL300013716384	0	46	-1.0	-56.70	386.13	6.54	-50.16
CC(C)(CNC(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300013716386	0	33	-1.0	-50.72	281.52	6.10	-44.62
CC(C)(CNC(=O)N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013716387	0	49	-1.0	-52.80	369.77	10.05	-42.75
CN1C(=O)C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300013716388	0	46	-1.0	-56.77	391.53	6.61	-50.16
CC(C)(CNC(=O)NC[C@@H]1CCCN1C1=CC=CC=C1)C(=O)[O-]	REAL300013716390	0	47	-1.0	-51.09	361.16	5.88	-45.21
CC(C)(CNC(=O)NC1CC12CCC1=CC=CC=C12)C(=O)[O-]	REAL300013716391	0	43	-1.0	-51.34	343.30	7.81	-43.53
COC(=O)C1CN(C(=O)NCC(C)(C)C(=O)[O-])CC12CCC2	REAL300013716392	0	45	-1.0	-51.98	351.49	6.99	-44.99
CC(C)(CNC(=O)N1CCCCC1CCC(F)(F)F)C(=O)[O-]	REAL300013716393	0	44	-1.0	-54.47	341.28	7.88	-46.59
CC(C)(CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)C(=O)[O-]	REAL300013716394	0	40	-1.0	-57.49	324.54	0.43	-57.06
CC(C)(CNC(=O)N1CCCCC1CC1=CC(F)=CC=C1F)C(=O)[O-]	REAL300013716395	0	48	-1.0	-51.98	368.77	9.68	-42.30
CC(C)(CNC(=O)NCC(CC1=CC=CC=C1)C1CC1)C(=O)[O-]	REAL300013716396	0	48	-1.0	-51.58	381.52	8.73	-42.85
CN(C)C1=NC=C2CN(C(=O)NCC(C)(C)C(=O)[O-])CCC2=N1	REAL300013716397	0	45	-1.0	-54.91	353.80	8.14	-46.77
CC1=CC(C)=NN1C1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716398	0	48	-1.0	-57.62	371.43	7.49	-50.13
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300013716399	0	47	-1.0	-49.93	380.53	6.37	-43.56
CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716400	0	44	-1.0	-53.78	362.73	9.30	-44.48
CC1=CC(C)=C(CCNC(=O)NCC(C)(C)C(=O)[O-])C=C1C	REAL300013716401	0	47	-1.0	-53.22	367.04	7.55	-45.67
CC(C)(CNC(=O)N1CCN(C2=NC(C(F)(F)F)=CS2)CC1)C(=O)[O-]	REAL300013716402	0	43	-1.0	-52.18	365.75	5.63	-46.55
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC2=CC=CN=C21	REAL300013716403	0	43	-1.0	-58.57	348.25	6.56	-52.01
CC(C)(C)C1=CC=C(C2(CNC(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013716404	0	54	-1.0	-51.90	410.76	9.29	-42.61
CN(CCCCC1=CC=CC(Br)=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716405	0	47	-1.0	-54.94	394.32	10.47	-44.47
CC(C)(CNC(=O)NCC1=C2CCCCC2=NNC1=O)C(=O)[O-]	REAL300013716406	0	44	-1.0	-56.50	348.45	2.94	-53.56
CC(C)(CNC(=O)NCCC1=NC=C(F)C=C1F)C(=O)[O-]	REAL300013716407	0	37	-1.0	-53.19	319.42	4.17	-49.02
CC1=CC(Br)=C(F)C=C1[C@H](C)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716408	0	41	-1.0	-50.50	352.35	7.22	-43.28
CN(CC1=CC=CC2=C1OCO2)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716409	0	41	-1.0	-60.18	329.42	7.06	-53.12
CC(C)(CNC(=O)NC1CCOCC12CCCCC2)C(=O)[O-]	REAL300013716410	0	49	-1.0	-51.34	350.12	5.71	-45.63
CN1N=NC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1C(F)F	REAL300013716411	0	37	-1.0	-58.32	318.60	2.27	-56.05
COC(=O)C1CC(C2=CC=CC=C2)CN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716412	0	51	-1.0	-52.45	400.07	9.59	-42.86
COC(=O)C1=C(C)N=C(N2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)S1	REAL300013716413	0	49	-1.0	-53.25	397.62	5.91	-47.34
C=CCN(CC(=C)Br)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716414	0	36	-1.0	-54.74	309.48	7.39	-47.35
CCCOC1=CC=C2NC=C(CCNC(=O)NCC(C)(C)C(=O)[O-])C2=C1	REAL300013716415	0	52	-1.0	-58.99	418.06	6.95	-52.04
CC(C)(CNC(=O)N1CCOCC1C1CCOCC1)C(=O)[O-]	REAL300013716416	0	47	-1.0	-50.23	336.82	3.81	-46.42
C[C@@H](C1=CC=CC=C1Cl)N(C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716417	0	41	-1.0	-55.85	335.19	8.16	-47.69
CC(C)(CNC(=O)NCCC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300013716418	0	41	-1.0	-60.39	335.74	1.45	-58.94
CCOC(=O)C1=CSC(C2CCCN(C(=O)NCC(C)(C)C(=O)[O-])C2)=N1	REAL300013716419	0	50	-1.0	-59.44	410.44	7.65	-51.79
CC(C)(CNC(=O)NC(CCO)C1CCCCCC1)C(=O)[O-]	REAL300013716421	0	51	-1.0	-50.32	366.72	3.73	-46.59
CC(C)(CNC(=O)N1C2CCC1CC(N1CCCCS1(=O)=O)C2)C(=O)[O-]	REAL300013716422	0	54	-1.0	-58.12	403.46	5.40	-52.72
CC(C)(CNC(=O)NCC1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300013716423	0	41	-1.0	-55.95	339.37	2.41	-53.54
COC(=O)C[C@@H]1CCC[C@H]1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716424	0	44	-1.0	-52.30	349.28	5.58	-46.72
COC(=O)C1=CC=CC2=C1CN(C(=O)NCC(C)(C)C(=O)[O-])CCO2	REAL300013716425	0	46	-1.0	-54.48	366.45	7.54	-46.94
COC(=O)C1=NN(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013716426	0	48	-1.0	-57.38	383.88	6.91	-50.47
CC(C)(CNC(=O)N1CCC(S(=O)(=O)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013716427	0	48	-1.0	-59.30	397.33	5.93	-53.37
CC1C2=CC=C(O)C=C2CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716428	0	43	-1.0	-53.24	337.36	5.53	-47.71
CC(C)(CNC(=O)NCC1=CC2=CC=CC=C2NC1=O)C(=O)[O-]	REAL300013716429	0	41	-1.0	-59.53	342.11	4.17	-55.36
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716430	0	43	-1.0	-74.09	366.91	5.80	-68.29
COC1=CC(OC)=CC(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013716431	0	53	-1.0	-55.76	405.18	7.60	-48.16
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=NC=CC(C(F)(F)F)=N1	REAL300013716432	0	39	-1.0	-54.57	340.27	4.19	-50.38
CC(C)(CNC(=O)N1CCC2(CC1)OC(=O)NC21CCC1)C(=O)[O-]	REAL300013716433	0	48	-1.0	-56.60	359.33	4.04	-52.56
CC(C)(CNC(=O)N1CCCC(CC2=CC=C(C#N)C=C2)C1)C(=O)[O-]	REAL300013716434	0	49	-1.0	-57.63	388.18	10.13	-47.50
CC1=NN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=N2)C=C1	REAL300013716435	0	44	-1.0	-54.53	369.25	6.18	-48.35
CC1CC2=CC(F)=CC=C2CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716436	0	42	-1.0	-51.12	327.66	8.35	-42.77
CC(C)(CNC(=O)N(CCO)CC1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300013716437	0	42	-1.0	-51.65	366.40	5.93	-45.72
C=CCC1(C(=O)OCC)CCCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716438	0	51	-1.0	-52.48	387.50	8.99	-43.49
CC(C)(CNC(=O)NCC1CCC2(CCOC2)O1)C(=O)[O-]	REAL300013716440	0	44	-1.0	-52.92	343.58	2.46	-50.46
CC(C)(CNC(=O)NCC1=CC=C(C2=NNC=C2)C=C1)C(=O)[O-]	REAL300013716441	0	42	-1.0	-55.62	350.63	5.16	-50.46
COC(=O)C1=CC2=C(CN(C(=O)NCC(C)(C)C(=O)[O-])CC2)S1	REAL300013716442	0	42	-1.0	-53.89	353.54	7.55	-46.34
CC(C)(CNC(=O)N1CCC(N2C=NC3=CC=CC=C3C2=O)C1)C(=O)[O-]	REAL300013716443	0	47	-1.0	-59.50	376.13	7.84	-51.66
CCOC(=O)COC1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716444	0	51	-1.0	-59.57	404.18	6.43	-53.14
CC(C)(CNC(=O)NCCC12CCC(CC1)C2(C)C)C(=O)[O-]	REAL300013716445	0	51	-1.0	-51.31	370.91	7.17	-44.14
CC(C)(CNC(=O)NCC1=CC2=CC=C(F)C=C2NC1=O)C(=O)[O-]	REAL300013716446	0	41	-1.0	-59.11	347.93	4.25	-54.86
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=NN(C2=CC=CC=C2)C=C1	REAL300013716447	0	45	-1.0	-54.15	370.17	7.13	-47.02
CN(CC1OCCN(C)C1C1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716448	0	54	-1.0	-54.03	411.24	6.85	-47.18
CC(C)(CNC(=O)NCCC(N1CCOCC1)C(F)(F)F)C(=O)[O-]	REAL300013716449	0	47	-1.0	-52.91	366.58	2.29	-50.62
CC(C)(CNC(=O)NCC1=CN2C=C(Cl)C=C(Cl)C2=N1)C(=O)[O-]	REAL300013716450	0	38	-1.0	-54.97	352.21	6.58	-48.39
COCCN1CC(CNC(=O)NCC(C)(C)C(=O)[O-])CC1=O	REAL300013716451	0	46	-1.0	-59.09	371.22	3.01	-56.08
C[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C2OC(C)CC2=C1	REAL300013716452	0	46	-1.0	-52.84	366.17	6.60	-46.24
CC(C)(CNC(=O)NCC1=CC=C(C(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300013716454	0	41	-1.0	-52.53	355.95	6.91	-45.62
CC(C)(CNC(=O)NCC1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300013716455	0	41	-1.0	-53.00	350.70	7.73	-45.27
C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C2OC(C)CC2=C1	REAL300013716456	0	46	-1.0	-52.68	366.31	6.59	-46.09
CC(C)(CNC(=O)NCCC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300013716458	0	45	-1.0	-58.17	371.03	7.12	-51.05
CC1=CC([C@H](C)NC(=O)NCC(C)(C)C(=O)[O-])=CC=C1Br	REAL300013716459	0	41	-1.0	-50.83	348.75	7.17	-43.66
CC(C)(CNC(=O)NCC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300013716460	0	35	-1.0	-52.66	315.17	5.35	-47.31
CC(C)(CNC(=O)N1CCCC2=C(C=C(Br)S2)C1)C(=O)[O-]	REAL300013716461	0	39	-1.0	-52.83	336.66	8.33	-44.50
CC1=CC(C)=C2OCC[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C2=C1	REAL300013716462	0	46	-1.0	-50.98	362.96	6.75	-44.23
CC(C)(CNC(=O)N1CCN2C=C(C(F)(F)F)N=C2C1)C(=O)[O-]	REAL300013716463	0	39	-1.0	-53.59	329.20	6.49	-47.10
CC(C)C1=CC=C2CN(C(=O)NCC(C)(C)C(=O)[O-])CCC2=C1	REAL300013716464	0	48	-1.0	-51.33	367.17	9.62	-41.71
CC(C)(C)C1=CC=C2CN(C(=O)NCC(C)(C)C(=O)[O-])CCC2=C1	REAL300013716465	0	51	-1.0	-51.41	383.71	10.02	-41.39
CC1=CC(C)=C2OCC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])C2=C1	REAL300013716466	0	46	-1.0	-50.88	362.39	6.77	-44.11
CC(C)(CNC(=O)N1CCC2(CC1)C(F)(F)C21CCC1)C(=O)[O-]	REAL300013716467	0	46	-1.0	-52.77	360.23	8.93	-43.84
CC(C)(CNC(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C)C(=O)[O-]	REAL300013716468	0	49	-1.0	-51.93	369.42	7.45	-44.48
COCC1(CCNC(=O)NCC(C)(C)C(=O)[O-])CCCC1	REAL300013716469	0	48	-1.0	-51.41	364.24	4.97	-46.44
CC(C)(CNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)C(=O)[O-]	REAL300013716470	1	48	-1.0	-53.53	355.87	2.67	-50.86
CC(C)(CNC(=O)N1CCC2(CCS(=O)(=O)C2)C1)C(=O)[O-]	REAL300013716471	0	42	-1.0	-60.71	332.85	2.88	-57.83
CN1CCN(C2=CC=C(CCNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013716472	1	55	-1.0	-53.81	422.48	4.60	-49.21
CN1C=C(N2CCC[C@@H]2CNC(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300013716473	0	47	-1.0	-53.23	363.71	3.54	-49.69
C=CCC1(C(=O)OCC)CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716474	0	51	-1.0	-55.05	386.18	8.50	-46.55
CN1C=NC=C1[C@@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@H]1CO	REAL300013716475	0	46	-1.0	-55.64	363.17	4.51	-51.13
CNC(=O)C1=CN(CC2CCCN(C(=O)NCC(C)(C)C(=O)[O-])C2)N=N1	REAL300013716476	0	51	-1.0	-65.52	402.15	3.92	-61.60
CC1=CC=CC(N2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2)=C1	REAL300013716477	0	47	-1.0	-51.00	367.66	5.74	-45.26
CC(C)(CNC(=O)NCCC1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300013716478	0	44	-1.0	-62.60	373.36	3.42	-59.18
CC(C)(CNC(=O)NCC1(C2=CC=CC=C2)CCCCO1)C(=O)[O-]	REAL300013716479	0	49	-1.0	-51.04	370.34	6.64	-44.40
CCC1=CC=C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2=C1	REAL300013716480	0	45	-1.0	-51.39	350.41	9.11	-42.28
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC(F)=CC=C1N(C)C	REAL300013716481	0	46	-1.0	-51.68	367.24	6.01	-45.67
COC1=CC=C2CC(C)N(C(=O)NCC(C)(C)C(=O)[O-])CC2=C1	REAL300013716482	0	46	-1.0	-52.05	351.40	7.58	-44.47
CC(C)(CNC(=O)NCC1=NC(=O)C2=CC=CC=C2N1)C(=O)[O-]	REAL300013716483	0	40	-1.0	-61.19	335.65	3.37	-57.82
CC1=C2OC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC2=CC(Br)=C1	REAL300013716484	0	41	-1.0	-50.63	361.76	6.92	-43.71
CC(C)(CNC(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1)C(=O)[O-]	REAL300013716485	0	39	-1.0	-50.76	338.10	8.64	-42.12
CC1=CC(C)=C2CN(C(=O)NCC(C)(C)C(=O)[O-])CCC2=C1	REAL300013716486	0	45	-1.0	-51.52	346.04	8.85	-42.67
CC(C)(CNC(=O)N1CCN2C(=NC3=C2CCCC3)C1)C(=O)[O-]	REAL300013716487	0	46	-1.0	-53.02	350.63	7.82	-45.20
CC(C)(CNC(=O)NCC1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300013716488	0	41	-1.0	-55.02	372.21	3.23	-51.79
CCC1=CC=CC2=C1CN(C(=O)NCC(C)(C)C(=O)[O-])CC2	REAL300013716489	0	45	-1.0	-51.15	343.79	8.83	-42.32
C=CCC1(C(=O)OCC)CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716490	0	48	-1.0	-56.26	376.68	7.93	-48.33
C=CCC(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013716491	0	45	-1.0	-51.88	361.80	7.72	-44.16
CN(CC1=CC2=CC=NC=C2C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716492	0	43	-1.0	-55.52	348.98	7.98	-47.54
CC1=NN(C2=CC=CC=C2)C(C)=C1CN(C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716493	0	51	-1.0	-59.90	398.66	9.57	-50.33
CC1=CC=C(C)C2=C1OCC[C@@H]2NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716494	0	46	-1.0	-51.02	355.45	7.26	-43.76
CC(C)(CNC(=O)NCC1CCCC1N1CCCS1(=O)=O)C(=O)[O-]	REAL300013716495	0	50	-1.0	-66.50	395.72	2.84	-63.66
CC(C)(CNC(=O)NCC1(O)CCOC2=CC=CC=C21)C(=O)[O-]	REAL300013716496	0	44	-1.0	-52.77	348.77	2.36	-50.41
CC1=CC=C(C)C2=C1OCC[C@H]2NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716497	0	46	-1.0	-51.01	355.44	7.26	-43.75
CC(C)(CNC(=O)N1CCC2CCN(CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013716498	1	51	-1.0	-54.35	375.37	7.18	-47.17
CC(C)(CNC(=O)N1CCCC12CCS(=O)(=O)CC2)C(=O)[O-]	REAL300013716499	0	45	-1.0	-60.69	331.57	3.49	-57.20
COC1=CC=C2CC=C(CCNC(=O)NCC(C)(C)C(=O)[O-])C2=C1	REAL300013716500	0	47	-1.0	-57.11	379.90	7.02	-50.09
CC(C)(CNC(=O)NCCC[C@@H]1NC(=O)NC1=O)C(=O)[O-]	REAL300013716501	0	40	-1.0	-59.97	332.11	-0.86	-60.83
CC(C)(CNC(=O)N1CCC[C@H]1CC1=CC=CS1)C(=O)[O-]	REAL300013716502	0	42	-1.0	-55.09	340.26	8.13	-46.96
CC(C)(CNC(=O)N1CCCC2(CN(CC3=CC=CC=C3)CCO2)C1)C(=O)[O-]	REAL300013716503	0	58	-1.0	-55.64	430.66	7.92	-47.72
CCOC(=O)C1=CC2=C(CN(C(=O)NCC(C)(C)C(=O)[O-])CC2)S1	REAL300013716504	0	45	-1.0	-53.88	375.99	8.46	-45.42
C[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])C1=CSC2=CC=CC=C12	REAL300013716506	0	41	-1.0	-52.14	344.56	7.40	-44.74
CC(C)(CNC(=O)N1CCC[C@@H]1CC1=CC=CS1)C(=O)[O-]	REAL300013716507	0	42	-1.0	-53.13	340.83	8.14	-44.99
COC1=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC(Cl)=C1OC	REAL300013716508	0	43	-1.0	-52.10	370.46	4.95	-47.15
CC(C)COC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013716509	0	48	-1.0	-51.08	384.14	6.84	-44.24
CC(C)(CNC(=O)NCC1(CO)COCC2CCCCN21)C(=O)[O-]	REAL300013716510	0	52	-1.0	-54.69	374.39	0.35	-54.34
CC1=CC=CC(N2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2=O)=C1	REAL300013716511	0	46	-1.0	-66.47	368.44	6.24	-60.23
COC1=CC=CC=C1[C@H]1[C@@H](O)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716512	0	47	-1.0	-58.21	368.72	4.72	-53.49
C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C1=CSC2=CC=CC=C12	REAL300013716513	0	41	-1.0	-52.10	344.90	7.42	-44.68
CC(C)(CNC(=O)NCC1(CO)CC12CCOCC2)C(=O)[O-]	REAL300013716515	0	47	-1.0	-54.51	361.56	1.73	-52.78
COC1=CC2=C(C=C1C)CN(C(=O)NCC(C)(C)C(=O)[O-])CC2	REAL300013716516	0	46	-1.0	-52.74	357.10	7.72	-45.02
CCCCOC1=CC=C(C(C)NC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013716517	0	51	-1.0	-51.82	403.02	7.79	-44.03
CC(C)(CNC(=O)N1CCC(C)(N2CCOCC2)C1)C(=O)[O-]	REAL300013716518	0	48	-1.0	-54.12	352.25	3.29	-50.83
CN1C=CN=C1C(NC(=O)NCC(C)(C)C(=O)[O-])C(F)(F)F	REAL300013716519	0	38	-1.0	-52.52	326.24	4.44	-48.08
CC1=CC2=C(C=C1O)CCN(C(=O)NCC(C)(C)C(=O)[O-])C2	REAL300013716520	0	43	-1.0	-53.49	338.63	5.57	-47.92
CC(C)(CNC(=O)N[C@H]1CCC2=C(Cl)C=CC=C21)C(=O)[O-]	REAL300013716521	0	39	-1.0	-52.38	328.83	6.72	-45.66
CC(C)(CNC(=O)N[C@@H]1CCC2=C(Cl)C=CC=C21)C(=O)[O-]	REAL300013716522	0	39	-1.0	-52.21	331.35	6.88	-45.33
CC(C)(CNC(=O)N1CCC2(CC1)C(F)(F)C21CC1)C(=O)[O-]	REAL300013716523	0	43	-1.0	-51.37	343.94	8.48	-42.89
CC(C)(CNC(=O)NC1(CC2=CC=C(F)C=C2F)CC1)C(=O)[O-]	REAL300013716524	0	42	-1.0	-49.32	350.78	7.23	-42.09
COC(=O)C12CCC1(C(=O)OC)CN(C(=O)NCC(C)(C)C(=O)[O-])C2	REAL300013716526	0	48	-1.0	-57.79	385.96	6.86	-50.93
CC(C)(CNC(=O)N1CCCCCCNS(=O)(=O)CC1)C(=O)[O-]	REAL300013716527	0	49	-1.0	-56.76	374.49	3.46	-53.30
COC1=CC=C(CCNC(=O)NCC(C)(C)C(=O)[O-])C=C1Br	REAL300013716528	0	42	-1.0	-55.44	363.18	5.86	-49.58
COC(=O)C1CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C21	REAL300013716529	0	48	-1.0	-56.68	373.37	7.16	-49.52
COCC1(O)CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716530	0	46	-1.0	-51.75	339.96	3.58	-48.17
COC(=O)CC(CNC(=O)NCC(C)(C)C(=O)[O-])C(F)(F)F	REAL300013716531	0	40	-1.0	-54.25	337.71	4.76	-49.49
CC(C)NS(=O)(=O)C1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716532	0	49	-1.0	-56.71	398.26	3.92	-52.79
CC(C)(CNC(=O)NC(CF)C1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300013716533	0	39	-1.0	-59.06	333.72	6.39	-52.67
CC(C)(CNC(=O)N1CCCC1CC1=CC=CC(F)=C1F)C(=O)[O-]	REAL300013716534	0	45	-1.0	-51.85	359.27	8.95	-42.90
CCN1C=C(CNC(=O)NCC(C)(C)C(=O)[O-])C(=O)NC1=O	REAL300013716535	0	41	-1.0	-61.08	342.23	2.09	-58.99
CC(C)N1C=C(CNC(=O)NCC(C)(C)C(=O)[O-])C(=O)NC1=O	REAL300013716536	0	44	-1.0	-60.65	355.28	2.57	-58.08
CC(C)(CNC(=O)NC1CCN(C(=O)C2=CC=CC=C2F)CC1)C(=O)[O-]	REAL300013716537	0	49	-1.0	-57.54	388.60	6.45	-51.09
CSC1=CC=CC=C1CC(C)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716538	0	45	-1.0	-55.16	366.71	7.40	-47.76
CC(C)(CNC(=O)NCC1CCCN1C1=CC=CC=C1)C(=O)[O-]	REAL300013716539	0	47	-1.0	-51.71	355.92	6.22	-45.49
CC(C)(CNC(=O)NC(C1=CC=C(F)C(C(F)(F)F)=C1)C1CC1)C(=O)[O-]	REAL300013716540	0	45	-1.0	-52.59	374.83	8.75	-43.84
COC1=CC=C2C(CCNC(=O)NCC(C)(C)C(=O)[O-])=CNC2=C1	REAL300013716541	0	46	-1.0	-57.24	374.00	5.24	-52.00
COCC(NC(=O)NCC(C)(C)C(=O)[O-])C(=O)N1CCOCC1	REAL300013716542	0	47	-1.0	-52.16	370.46	1.07	-51.09
CC(C)(CNC(=O)NC1CCCC2=CC=C(Br)C=C2C1)C(=O)[O-]	REAL300013716543	0	45	-1.0	-56.80	368.25	8.00	-48.80
CC(C)(C)C1(C)CN(C(=O)NCC(C)(C)C(=O)[O-])CCO1	REAL300013716544	0	48	-1.0	-50.59	342.44	6.25	-44.34
CC(NC(=O)NCC(C)(C)C(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300013716545	0	44	-1.0	-50.34	361.28	7.64	-42.70
CC(C)(CNC(=O)NCC1CCC2(CCCOC2)O1)C(=O)[O-]	REAL300013716546	0	47	-1.0	-54.26	361.78	3.53	-50.73
CC(C)(CNC(=O)N1CCCC12CCCSC2)C(=O)[O-]	REAL300013716547	0	43	-1.0	-52.00	317.56	6.87	-45.13
CC(C)(CNC(=O)NCC1=CC=C2C(=O)CCC2=C1)C(=O)[O-]	REAL300013716548	0	41	-1.0	-54.32	339.32	6.11	-48.21
CC(C)(CNC(=O)NCC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C)C(=O)[O-]	REAL300013716549	0	51	-1.0	-50.96	371.23	7.26	-43.70
CC(C)C(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300013716550	0	44	-1.0	-50.26	357.25	7.66	-42.60
CC(C)(CNC(=O)NCC1CC(=O)N(C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013716551	0	46	-1.0	-57.84	367.79	6.21	-51.63
CC(C)(CNC(=O)NC1(C)CC2CCC(C1)S2)C(=O)[O-]	REAL300013716552	0	43	-1.0	-52.37	318.15	5.75	-46.62
COCC1(CCNC(=O)NCC(C)(C)C(=O)[O-])CCOCC1	REAL300013716553	0	49	-1.0	-53.44	365.99	2.99	-50.45
CC(C)(CNC(=O)N1C[C@@H](F)C[C@H]1CS(C)(=O)=O)C(=O)[O-]	REAL300013716554	0	41	-1.0	-56.13	339.51	3.01	-53.12
CN1C=C(CNC(=O)NCC(C)(C)C(=O)[O-])C(C(F)F)=N1	REAL300013716555	0	38	-1.0	-55.79	327.56	3.71	-52.08
CC(C)(CNC(=O)NCCN1C=C(I)C=N1)C(=O)[O-]	REAL300013716556	0	35	-1.0	-56.86	322.48	4.20	-52.66
CC(C)(CNC(=O)N1CCCN(CC2=CC=CC=C2)CC(F)(F)C1)C(=O)[O-]	REAL300013716557	0	53	-1.0	-55.23	388.31	8.12	-47.11
CCC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1C1=CC=CC=C1	REAL300013716558	0	51	-1.0	-52.89	396.35	9.77	-43.12
CC(C)(CNC(=O)NCCNC(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013716559	0	45	-1.0	-57.14	379.36	4.32	-52.82
CCC1=CC=CC2=C1CCN(C(=O)NCC(C)(C)C(=O)[O-])C2	REAL300013716560	0	45	-1.0	-51.53	343.32	8.91	-42.62
CCN(CCCOCC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716561	0	51	-1.0	-56.02	403.60	9.22	-46.80
CC(C)(CNC(=O)N1CCCCCCC1C1=CC=CC=C1)C(=O)[O-]	REAL300013716562	0	51	-1.0	-54.21	362.74	10.53	-43.68
CC(C)(CNC(=O)N1CCC2(CC3=CC=CC=C3C2=O)CC1)C(=O)[O-]	REAL300013716563	0	48	-1.0	-55.88	365.22	9.07	-46.81
CC(C)(CNC(=O)NCCC(C(F)F)N1CCOCC1)C(=O)[O-]	REAL300013716564	0	47	-1.0	-55.31	358.63	2.04	-53.27
C[C@@H]1CC2=C(Cl)C=CC=C2[C@@H]1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716565	0	42	-1.0	-51.61	347.73	7.84	-43.77
CC(C)C(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300013716566	0	44	-1.0	-50.26	357.25	7.66	-42.60
COC(=O)CC1CC2(CCC2)CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716567	0	48	-1.0	-52.74	372.59	7.80	-44.94
CN1N=C(CNC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C2C1=O	REAL300013716568	0	43	-1.0	-55.03	356.39	4.57	-50.46
CC(C)(CNC(=O)NCC1=NOC(C2=CC3=CC=CC=C3C=C2)=C1)C(=O)[O-]	REAL300013716569	0	47	-1.0	-53.38	392.17	8.47	-44.91
COC(=O)C1=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C(Cl)S1	REAL300013716570	0	38	-1.0	-52.90	353.54	5.36	-47.54
CCCCCN(CC1=C(C)N(C)N=C1C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716571	0	56	-1.0	-57.43	424.79	9.40	-48.03
C=CCCC1(CNC(=O)NCC(C)(C)C(=O)[O-])CCOCC1	REAL300013716572	0	49	-1.0	-51.31	363.04	5.41	-45.90
COC(=O)C[C@@H]1CC2(CC2)CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716573	0	45	-1.0	-52.99	357.88	7.28	-45.71
CC(C)[C@@H]1C[C@H](CNC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C21	REAL300013716574	0	51	-1.0	-51.77	384.53	9.00	-42.77
CC1=CC(Cl)=CN2C=C(CNC(=O)NCC(C)(C)C(=O)[O-])N=C12	REAL300013716575	0	41	-1.0	-54.08	356.31	6.71	-47.37
CN(CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716576	0	41	-1.0	-54.20	352.96	8.57	-45.63
CC(C)(CNC(=O)N1CCCC1C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300013716577	0	42	-1.0	-52.83	365.47	9.77	-43.06
CC(C)N1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013716578	0	53	-1.0	-52.83	418.01	7.01	-45.82
CN(CC1=CC=C(C2=CSC=C2)C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716579	0	45	-1.0	-55.73	373.96	9.93	-45.80
CC(C)N1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013716580	0	53	-1.0	-52.13	427.90	7.45	-44.68
CC(C)(CNC(=O)N1CCC2=C(C=C(C#N)C(=O)N2)C1)C(=O)[O-]	REAL300013716581	1	40	-1.0	-62.01	331.95	4.94	-57.07
CC1CCCC1N(CCC1=CC=CC=N1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716582	0	53	-1.0	-57.14	400.77	9.73	-47.41
COC(=O)C1=CC2=C(C=C1F)CCN(C(=O)NCC(C)(C)C(=O)[O-])C2	REAL300013716583	0	45	-1.0	-56.22	366.72	8.33	-47.89
CC(C)(CNC(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)[O-]	REAL300013716585	0	49	-1.0	-51.23	347.80	7.01	-44.22
CC(C)NC(=O)CN1C=C(NC(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300013716586	0	45	-1.0	-68.39	368.99	3.01	-65.38
CC(C)(CNC(=O)NC1CC2=CC=C(Br)C=C2NC1=O)C(=O)[O-]	REAL300013716587	0	40	-1.0	-59.49	349.94	4.28	-55.21
CC(C)(CNC(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]21)C(=O)[O-]	REAL300013716588	0	39	-1.0	-64.68	312.55	2.29	-62.39
CC(CC(=O)NC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716589	0	45	-1.0	-64.18	366.13	5.32	-58.86
CC1CCC2=C(C1)SC(CNC(=O)NCC(C)(C)C(=O)[O-])=N2	REAL300013716590	0	44	-1.0	-51.30	360.49	5.48	-45.82
CC(C)(CNC(=O)NCC1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300013716591	0	43	-1.0	-51.88	344.87	5.74	-46.14
COC1(C(F)(F)CNC(=O)NCC(C)(C)C(=O)[O-])CCCCC1	REAL300013716592	0	48	-1.0	-49.35	362.70	5.18	-44.17
COC(=O)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1OC	REAL300013716593	0	45	-1.0	-57.81	353.15	5.88	-51.93
CC(CC1=CNC2=CC(F)=C(F)C=C12)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716594	0	45	-1.0	-57.07	373.32	7.11	-49.96
CN(CC1=CC=CC(OC(F)F)=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716595	0	42	-1.0	-55.80	346.82	7.09	-48.71
CC(C)(CNC(=O)N(CC1=CC=CC=C1Cl)C1CC1)C(=O)[O-]	REAL300013716596	0	42	-1.0	-55.23	332.04	9.86	-45.37
CC1CC2=C(Cl)C=CC=C2C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716597	0	42	-1.0	-51.63	347.30	7.82	-43.81
CC(C)(CNC(=O)NCC1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300013716598	0	38	-1.0	-54.06	325.33	6.06	-48.00
CC1=CC=C(CN(C(=O)NCC(C)(C)C(=O)[O-])C2CC2)C=C1	REAL300013716599	0	45	-1.0	-53.89	346.25	9.17	-44.72
CC1=CC=CC(N2CCCC(NC(=O)NCC(C)(C)C(=O)[O-])C2=O)=C1	REAL300013716600	0	49	-1.0	-64.68	390.97	7.04	-57.64
CC(C)(CNC(=O)N(CC1=CC=CC=C1F)[C@H]1CC[C@H](O)CC1)C(=O)[O-]	REAL300013716601	0	52	-1.0	-59.23	390.62	7.98	-51.25
CC(CC1=CC=C(Cl)S1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716602	0	38	-1.0	-54.61	340.44	6.60	-48.01
CC(C)(CNC(=O)N[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1)C(=O)[O-]	REAL300013716603	0	42	-1.0	-52.90	356.19	7.73	-45.17
CC(C)(CNC(=O)N[C@H]1C[C@@H](OC2=CC=CC=C2)C1(C)C)C(=O)[O-]	REAL300013716604	0	49	-1.0	-52.26	379.72	7.80	-44.46
COC(=O)C1=C2CN(C(=O)NCC(C)(C)C(=O)[O-])CCN2C=C1	REAL300013716605	0	43	-1.0	-53.79	347.59	7.06	-46.73
CC(C)(CNC(=O)NCC1=NOC(C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300013716607	0	41	-1.0	-52.03	363.44	6.72	-45.31
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC2=C(Cl)C=CC=C21	REAL300013716608	0	42	-1.0	-50.53	338.06	8.56	-41.97
CC1OC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2C1C	REAL300013716609	0	46	-1.0	-51.99	365.16	6.23	-45.76
CC(C)(CNC(=O)NCC1CCCC2=CC=CN=C21)C(=O)[O-]	REAL300013716610	0	44	-1.0	-54.14	344.14	6.76	-47.38
CC(C)(CNC(=O)NCC(F)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300013716611	0	38	-1.0	-52.21	338.76	6.59	-45.62
CC(C)(CNC(=O)NC1CCN(C2=NC3=CC=CC=C3N2)CC1)C(=O)[O-]	REAL300013716612	0	50	-1.0	-56.45	393.49	6.66	-49.79
CCCC1C2=CC=CC=C2CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716613	0	48	-1.0	-50.43	353.40	9.17	-41.26
CC(C)(CNC(=O)NCC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300013716614	0	41	-1.0	-52.78	354.68	5.90	-46.88
CCN1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013716615	0	50	-1.0	-53.03	413.17	7.07	-45.96
COC(=O)COCC1CCCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716616	0	48	-1.0	-65.27	379.11	6.89	-58.38
CC(C)(CNC(=O)NCC1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300013716617	0	41	-1.0	-51.85	344.96	6.64	-45.21
CN1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013716618	0	47	-1.0	-55.16	382.74	5.73	-49.43
CCOC(=O)C12CC(C)(C1)OC21CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716619	0	56	-1.0	-56.93	420.79	7.93	-49.00
COC(=O)C1(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CCOCC1	REAL300013716620	0	55	-1.0	-57.78	391.88	7.00	-50.78
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716621	0	59	-1.0	-53.77	438.11	11.49	-42.28
CN1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013716622	0	47	-1.0	-54.32	393.21	6.17	-48.15
CN1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013716623	0	47	-1.0	-52.39	387.42	6.11	-46.28
COC(=O)C1CC(C)CN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716624	0	44	-1.0	-51.40	344.34	6.74	-44.66
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716625	0	48	-1.0	-57.98	375.07	8.31	-49.67
CC(C)(CNC(=O)N1CCC2(C1)CCC(F)(F)CC2)C(=O)[O-]	REAL300013716626	0	45	-1.0	-53.29	341.23	7.46	-45.83
CC(C)(CNC(=O)NCC1CCS(=O)(=O)C1(C)C)C(=O)[O-]	REAL300013716627	0	44	-1.0	-60.81	347.55	1.97	-58.84
CC(C)(CNC(=O)N1CCN2N=CC(Cl)=C2C1)C(=O)[O-]	REAL300013716628	0	36	-1.0	-50.80	305.55	5.17	-45.63
CC(C)(CNC(=O)NCCN1C=C(C2CCOC2)C=N1)C(=O)[O-]	REAL300013716629	0	46	-1.0	-58.48	370.67	3.80	-54.68
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])CCN2C2CC2)=C1	REAL300013716630	1	55	-1.0	-53.33	430.42	6.46	-46.87
COC(=O)C1(C2CCOCC2)CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716631	0	52	-1.0	-55.10	387.62	6.13	-48.97
CC(C)(CNC(=O)NCC1(C2=CC=CC=C2)NC(=O)NC1=O)C(=O)[O-]	REAL300013716632	0	44	-1.0	-53.32	362.89	1.42	-51.90
COC1=CC=C2C(=C1)N(C(=O)NCC(C)(C)C(=O)[O-])CC2C	REAL300013716633	0	43	-1.0	-58.64	338.89	7.22	-51.42
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716634	0	53	-1.0	-58.45	412.76	10.28	-48.17
CCC(NC(=O)CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013716635	0	48	-1.0	-51.38	382.07	5.08	-46.30
CC(C)(CNC(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1)C(=O)[O-]	REAL300013716636	0	46	-1.0	-57.52	380.47	-1.74	-59.26
COC1=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC=C1Cl	REAL300013716637	0	39	-1.0	-51.39	337.29	4.97	-46.42
COC1=CC=CC=C1N1CCCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855001	0	48	-1.0	-49.73	370.40	6.59	-43.14
O=C([O-])CCCNC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL300013855002	0	41	-1.0	-48.87	324.05	5.34	-43.53
O=C([O-])CCCNC(=O)NCC1(CC2=CC=CC(Br)=C2)CC1	REAL300013855003	0	42	-1.0	-47.29	369.77	7.82	-39.47
CC1CC2=CC(CCNC(=O)NCCCC(=O)[O-])=CC=C2O1	REAL300013855004	0	43	-1.0	-50.19	356.20	5.82	-44.37
CC(NC(=O)NCCCC(=O)[O-])C1(C2=CC=CC=C2)CCC1	REAL300013855005	0	45	-1.0	-47.46	353.65	7.94	-39.52
O=C([O-])CCCNC(=O)N(CC1=CC=CS1)CC1=CC=NC=C1	REAL300013855006	0	41	-1.0	-51.29	360.42	8.23	-43.06
CCN1CCC2=CC(CNC(=O)NCCCC(=O)[O-])=CC=C21	REAL300013855007	0	44	-1.0	-47.16	354.76	4.96	-42.20
O=C([O-])CCCNC(=O)NC[C@@H]1OCO[C@H]1C(=O)NC1CC1	REAL300013855008	0	42	-1.0	-51.97	356.52	0.87	-51.10
O=C([O-])CCCNC(=O)N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300013855009	0	40	-1.0	-47.88	342.39	6.57	-41.31
NS(=O)(=O)C1=CC=CC(C2CCN(C(=O)NCCCC(=O)[O-])CC2)=C1	REAL300013855010	0	47	-1.0	-54.18	386.48	3.30	-50.88
O=C([O-])CCCNC(=O)NCCSC1=NC=C(C(F)(F)F)C=C1Cl	REAL300013855011	0	38	-1.0	-47.50	370.38	5.52	-41.98
CCOC(=O)C1(CC(F)F)CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855012	0	47	-1.0	-51.25	371.36	7.52	-43.73
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COC(=O)C1CN(C(=O)NCCCC(=O)[O-])CC1C(=O)OC	REAL300013855014	0	41	-1.0	-52.84	344.81	5.39	-47.45
CN1C(=O)OC2=CC(CNC(=O)NCCCC(=O)[O-])=CC=C21	REAL300013855015	0	38	-1.0	-53.38	331.97	4.42	-48.96
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O=C([O-])CCCNC(=O)NCCC1=CC=C(N2CCOCC2)C(F)=C1	REAL300013855017	0	48	-1.0	-50.53	386.51	4.06	-46.47
CC(NC(=O)NCCCC(=O)[O-])C1=CC=C(C(F)(F)F)S1	REAL300013855018	0	35	-1.0	-45.98	327.57	5.60	-40.38
O=C([O-])CCCNC(=O)N(CCOCCO)CCC1=CC=CC=C1	REAL300013855019	0	49	-1.0	-52.77	397.83	5.85	-46.92
CC(C)(CNC(=O)NCCCC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300013855020	0	47	-1.0	-47.44	386.50	8.08	-39.36
CC1=CC(C)=CC(OCCN(C)C(=O)NCCCC(=O)[O-])=C1	REAL300013855022	0	45	-1.0	-53.43	365.93	8.20	-45.23
O=C([O-])CCCNC(=O)N1CCN(C2=NC3=CC=C(Cl)C=C3S2)CC1	REAL300013855024	0	43	-1.0	-47.97	376.44	7.09	-40.88
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CS(=O)(=O)C1=C(CNC(=O)NCCCC(=O)[O-])C=CS1	REAL300013855026	0	35	-1.0	-54.80	323.86	1.83	-52.97
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COC1=CC=C([C@@H](C)NC(=O)NCCCC(=O)[O-])C(OC)=C1	REAL300013855029	0	43	-1.0	-49.96	352.05	4.02	-45.94
O=C([O-])CCCNC(=O)NCCC1CCC(C2=CC=CC=C2)CC1	REAL300013855030	0	51	-1.0	-47.68	390.32	8.64	-39.04
COC1=CC=CC(C2CCCN2C(=O)NCCCC(=O)[O-])=C1	REAL300013855031	0	43	-1.0	-50.44	348.23	7.37	-43.07
O=C([O-])CCCNC(=O)NCC1=CSC(C2=CC3=CC=CC=C3O2)=N1	REAL300013855032	0	41	-1.0	-54.41	372.19	5.67	-48.74
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O=C([O-])CCCNC(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300013855034	0	35	-1.0	-53.45	320.09	3.51	-49.94
O=C([O-])CCCNC(=O)NCCC1=CNC2=CC=C(OCC3=CC=CC=C3)C=C12	REAL300013855035	0	53	-1.0	-55.12	442.53	8.57	-46.55
O=C([O-])CCCNC(=O)NCC1=NC=CC=C1Br	REAL300013855036	0	31	-1.0	-49.01	290.93	3.10	-45.91
O=C([O-])CCCNC(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300013855038	0	36	-1.0	-46.56	323.81	4.26	-42.30
O=C([O-])CCCNC(=O)N1CCC[C@@H]1C(=O)NC1=CC=CC=C1	REAL300013855040	0	43	-1.0	-57.55	353.85	6.02	-51.53
CC1(C)NC(=O)N(CCCNC(=O)NCCCC(=O)[O-])C1=O	REAL300013855041	0	43	-1.0	-52.96	362.73	1.54	-51.42
COC1=CC=C(C2CN(C(=O)NCCCC(=O)[O-])CCO2)C=C1OC	REAL300013855042	0	48	-1.0	-50.54	384.79	5.48	-45.06
O=C([O-])CCCNC(=O)N1CC2CCCS(=O)(=O)C2(C(F)(F)F)C1	REAL300013855043	0	42	-1.0	-54.82	338.99	2.86	-51.96
CC1=CC=C(Br)C=C1C(C)NC(=O)NCCCC(=O)[O-]	REAL300013855044	0	38	-1.0	-46.63	330.90	6.43	-40.20
CN1N=CC=C1[C@@H]1OCC[C@H]1CNC(=O)NCCCC(=O)[O-]	REAL300013855045	0	43	-1.0	-50.67	349.16	3.17	-47.50
CC1=CC(CNC(=O)NCCCC(=O)[O-])=NC=C1Br	REAL300013855047	0	34	-1.0	-47.18	312.62	3.79	-43.39
CC1CN(C2CCCN(C(=O)NCCCC(=O)[O-])C2)S(=O)(=O)C1	REAL300013855048	0	47	-1.0	-59.27	376.02	3.60	-55.67
O=C([O-])CCCNC(=O)N1CCN(CC2=NC(C(F)(F)F)=CS2)CC1	REAL300013855049	0	43	-1.0	-50.81	374.76	4.49	-46.32
O=C([O-])CCCNC(=O)N1CCN(CC2=CC=CC=C2)CC(F)(F)C1	REAL300013855050	0	47	-1.0	-50.22	368.95	7.08	-43.14
CC1=CC(Br)=CC(C)=C1CCNC(=O)NCCCC(=O)[O-]	REAL300013855051	0	41	-1.0	-47.80	353.69	6.86	-40.94
COCC(CN1CCOCC1)NC(=O)NCCCC(=O)[O-]	REAL300013855052	0	45	-1.0	-47.38	359.38	0.27	-47.11
O=C([O-])CCCNC(=O)N(O)CC1=CC=CC2=CC=CC=C21	REAL300013855053	0	39	-1.0	-47.56	324.06	6.44	-41.12
CN(C)C1=NC=CC2=C1CN(C(=O)NCCCC(=O)[O-])CC2	REAL300013855054	0	43	-1.0	-48.30	344.55	5.88	-42.42
O=C([O-])CCCNC(=O)N1CCCC1(CO)C1=CC=CC=C1	REAL300013855055	0	43	-1.0	-51.61	337.02	6.62	-44.99
O=C([O-])CCCNC(=O)NCC(CC1=CC=CC=C1)C1=CC=CC=N1	REAL300013855058	0	47	-1.0	-47.84	388.68	7.58	-40.26
O=C([O-])CCCNC(=O)NCC1CCN(C2=CC=C(F)C=C2F)C1	REAL300013855059	0	44	-1.0	-49.22	368.11	5.19	-44.03
CS(=O)(=O)C1=CC(CNC(=O)NCCCC(=O)[O-])=CC=N1	REAL300013855060	0	37	-1.0	-55.97	334.48	0.09	-55.88
O=C([O-])CCCNC(=O)N1CCCC1C1=CC=CC(C(F)(F)F)=C1F	REAL300013855061	0	42	-1.0	-48.78	360.16	8.98	-39.80
CCN(CC1=NC2=C(CC(C)CC2)S1)C(=O)NCCCC(=O)[O-]	REAL300013855062	0	47	-1.0	-47.43	382.85	8.38	-39.05
O=C([O-])CCCNC(=O)N1CCC2(COC(CO)C2)CC1	REAL300013855063	0	44	-1.0	-49.91	336.49	1.89	-48.02
O=C([O-])CCCNC(=O)NC[C@H]1CCCN1C1=CC=CC=C1	REAL300013855064	0	44	-1.0	-46.97	349.40	5.20	-41.77
COC(=O)C1(C2(O)CCN(C(=O)NCCCC(=O)[O-])C2)CCOCC1	REAL300013855065	0	50	-1.0	-50.16	375.94	2.95	-47.21
CC1=CC(C)=C(C(CO)NC(=O)NCCCC(=O)[O-])C(C)=C1	REAL300013855066	0	45	-1.0	-47.00	350.09	4.78	-42.22
CCOC(=O)C1=CSC(N2CCN(C(=O)NCCCC(=O)[O-])CC2)=N1	REAL300013855067	0	46	-1.0	-49.95	390.68	5.58	-44.37
O=C([O-])CCCNC(=O)N1CCN(C2=NSC3=CC=CC=C32)CC1	REAL300013855068	0	43	-1.0	-51.41	354.60	6.85	-44.56
O=C([O-])CCCNC(=O)NCC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300013855069	0	38	-1.0	-47.24	349.01	6.33	-40.91
O=C([O-])CCCNC(=O)N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300013855070	0	36	-1.0	-48.79	315.17	7.57	-41.22
O=C([O-])CCCNC(=O)NCC1=C(Br)N2C=CC=CC2=N1	REAL300013855071	0	35	-1.0	-52.16	325.33	5.39	-46.77
COC1=CC=C(Br)C2=C1CCN(C(=O)NCCCC(=O)[O-])C2	REAL300013855072	0	40	-1.0	-48.03	340.05	6.89	-41.14
O=C([O-])CCCNC(=O)N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300013855073	0	36	-1.0	-46.75	315.72	7.59	-39.16
CCCN(CC1COC2=CC=CC=C2O1)C(=O)NCCCC(=O)[O-]	REAL300013855074	0	47	-1.0	-53.54	380.83	8.24	-45.30
C[C@@H](NC(=O)NCCCC(=O)[O-])C1=CC=C(Br)C=C1	REAL300013855075	0	35	-1.0	-46.30	316.61	5.95	-40.35
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)NCCCC(=O)[O-]	REAL300013855076	0	53	-1.0	-47.79	408.62	8.57	-39.22
O=C([O-])CCCNC(=O)NCCNC1=CC=C(C(F)(F)F)C=N1	REAL300013855077	0	39	-1.0	-49.39	346.60	3.44	-45.95
CCC(=O)NC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013855078	0	42	-1.0	-51.30	354.22	4.17	-47.13
CC1=CC=C(C)C(OC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=N2)=C1	REAL300013855080	0	48	-1.0	-49.50	406.25	6.09	-43.41
O=C([O-])CCCNC(=O)NC(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300013855081	0	48	-1.0	-49.54	389.98	9.39	-40.15
O=C([O-])CCCNC(=O)NCC(O)C1=CC=C(C(F)(F)F)C=C1	REAL300013855082	0	39	-1.0	-48.76	345.51	3.15	-45.61
O=C([O-])CCCNC(=O)NCC1=C(Cl)C=CC=C1Cl	REAL300013855083	0	32	-1.0	-48.16	305.93	5.27	-42.89
CC(C)N(CC1=CC=C(C#N)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013855084	0	42	-1.0	-50.68	347.04	9.40	-41.28
CCCC(=O)NC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013855085	0	45	-1.0	-51.13	376.00	4.93	-46.20
O=C([O-])CCCNC(=O)NCCN1CCN(C2=CC=CC=C2)CC1	REAL300013855086	0	49	-1.0	-48.39	383.73	3.25	-45.14
CC(C)N(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NCCCC(=O)[O-]	REAL300013855087	0	44	-1.0	-51.85	366.37	10.01	-41.84
COC1=CC=CC(CN(CC(C)C)C(=O)NCCCC(=O)[O-])=C1	REAL300013855088	0	48	-1.0	-48.29	373.33	8.57	-39.72
CC1=CC=CC(CN(CC(C)C)C(=O)NCCCC(=O)[O-])=C1	REAL300013855089	0	47	-1.0	-48.49	365.21	9.93	-38.56
CC(C)CN(CC1=CC=C(C#N)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013855090	0	45	-1.0	-49.71	373.30	9.50	-40.21
O=C([O-])CCCNC(=O)N1CCN(S(=O)(=O)NCC2=CC=CC=C2)CC1	REAL300013855091	0	49	-1.0	-52.58	403.67	3.71	-48.87
CNS(=O)(=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855092	0	39	-1.0	-52.29	322.07	-0.15	-52.44
O=C([O-])CCCNC(=O)N1CCC(C2=NN=C3CCCN32)CC1	REAL300013855093	0	45	-1.0	-59.47	356.18	7.77	-51.70
O=C([O-])CCCNC(=O)NC(CC1=CC=CC=C1)C(O)C(F)(F)F	REAL300013855094	0	42	-1.0	-50.74	352.27	3.87	-46.87
O=C([O-])CCCNC(=O)N(CCC1CC2CCC1C2)C1CC1	REAL300013855095	0	49	-1.0	-46.75	365.74	9.42	-37.33
CCOC(=O)CC(C1=CC=CC=C1)C1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855096	0	57	-1.0	-52.60	442.29	11.01	-41.59
O=C([O-])CCCNC(=O)N1CCC(CCC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300013855097	0	51	-1.0	-48.76	414.03	10.91	-37.85
O=C([O-])CCCNC(=O)NC1CCC2=NC(C3=CC=CC=C3)=NC=C2C1	REAL300013855098	0	47	-1.0	-51.65	387.64	7.55	-44.10
O=C([O-])CCCNC(=O)N1CCC(CCO)(CCO)CC1	REAL300013855099	0	46	-1.0	-49.45	341.09	0.07	-49.38
O=C([O-])CCCNC(=O)N1CC(C(F)(F)F)CC(C(F)(F)F)C1	REAL300013855100	0	38	-1.0	-46.11	329.75	6.66	-39.45
O=C([O-])CCCNC(=O)NC(CO)C1=CC(F)=CC=C1F	REAL300013855101	0	36	-1.0	-48.06	316.44	2.21	-45.85
O=C([O-])CCCNC(=O)NCCNC1=NC2=CC=CC=C2C=C1	REAL300013855102	0	42	-1.0	-52.67	353.92	4.64	-48.03
CCCN(C(=O)NCCCC(=O)[O-])C1CCC2=CC=CC=C2C1	REAL300013855103	0	48	-1.0	-47.67	372.38	10.03	-37.64
O=C([O-])CCCNC(=O)N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300013855105	0	36	-1.0	-46.54	314.21	7.51	-39.03
O=C([O-])CCCNC(=O)N1CCCC(CC2=CC=C(O)C=C2)C1	REAL300013855106	0	46	-1.0	-51.76	364.42	6.23	-45.53
O=C([O-])CCCNC(=O)N1CCC(OCC2=CC=C(Br)C=C2)CC1	REAL300013855108	0	46	-1.0	-49.05	390.35	8.53	-40.52
COC1=CC(C(C)NC(=O)NCCCC(=O)[O-])=CC=C1S(C)(=O)=O	REAL300013855109	0	45	-1.0	-55.62	382.66	2.68	-52.94
CN(CC1=CC=NC2=CC=CC=C12)C(=O)NCCCC(=O)[O-]	REAL300013855110	0	40	-1.0	-51.13	326.40	6.82	-44.31
CC(F)(F)C1(CNC(=O)NCCCC(=O)[O-])CCOCC1	REAL300013855111	0	42	-1.0	-46.96	323.38	3.66	-43.30
O=C([O-])CCCNC(=O)NCC1=CC=C(N2C=CN=C2)C=C1	REAL300013855113	0	39	-1.0	-50.34	333.77	6.84	-43.50
O=C([O-])CCCNC(=O)NCC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300013855114	0	47	-1.0	-51.85	383.96	3.96	-47.89
CC1=NC(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)=CS1	REAL300013855115	0	41	-1.0	-49.61	362.29	5.88	-43.73
O=C([O-])CCCNC(=O)NCC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300013855116	0	46	-1.0	-53.15	373.82	5.47	-47.68
CNC(=O)C1=CC=C(CN(C(=O)NCCCC(=O)[O-])C2CC2)C=C1	REAL300013855117	0	46	-1.0	-56.21	367.34	6.13	-50.08
O=C([O-])CCCNC(=O)NCCN1CCCC2=CC=CC=C21	REAL300013855118	0	44	-1.0	-47.91	347.98	4.92	-42.99
O=C([O-])CCCNC(=O)N1CCC(OCC2CCCCC2)CC1	REAL300013855119	0	52	-1.0	-47.37	392.33	8.26	-39.11
C[C@H](NC(=O)NCCCC(=O)[O-])C1=CC=C(F)C(Br)=C1	REAL300013855120	0	35	-1.0	-47.02	322.35	5.99	-41.03
CN(CC1CCCOC1C1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013855121	0	49	-1.0	-46.92	368.74	7.83	-39.09
O=C([O-])CCCNC(=O)N1CCCCC1C(O)C1=CC=CC=C1	REAL300013855122	0	46	-1.0	-48.89	348.84	7.39	-41.50
CN(CCCC1=CC(C2=CC=C(F)C=C2)=NO1)C(=O)NCCCC(=O)[O-]	REAL300013855123	0	47	-1.0	-51.29	399.81	9.62	-41.67
CC1=NC(CNC(=O)NCCCC(=O)[O-])=NC2=CC=CC=C12	REAL300013855124	0	39	-1.0	-52.99	332.52	4.31	-48.68
CN1C=C(CN2CCN(C(=O)NCCCC(=O)[O-])CC2)C=N1	REAL300013855125	0	44	-1.0	-50.77	351.36	3.85	-46.92
CC1=CC=CC=C1CC1CCCN1C(=O)NCCCC(=O)[O-]	REAL300013855126	0	45	-1.0	-47.42	346.18	8.74	-38.68
COC1=CC=CC=C1OCCCNC(=O)NCCCC(=O)[O-]	REAL300013855127	0	43	-1.0	-51.00	358.53	4.73	-46.27
NS(=O)(=O)CC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855128	0	40	-1.0	-56.47	327.44	0.59	-55.88
CC[C@H](CO)N(CC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013855129	0	45	-1.0	-48.40	351.85	5.92	-42.48
COC1=CC=CC=C1C1CCCCN1C(=O)NCCCC(=O)[O-]	REAL300013855130	0	46	-1.0	-47.92	352.62	7.74	-40.18
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1OC1=CC=CC(F)=C1	REAL300013855131	0	43	-1.0	-50.35	373.57	7.45	-42.90
COC1=C(CNC(=O)NCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300013855132	0	41	-1.0	-55.16	345.58	4.36	-50.80
CC(C)(C)N1C=NC=C1C1CCCN(C(=O)NCCCC(=O)[O-])C1	REAL300013855133	0	51	-1.0	-49.06	380.75	8.73	-40.33
CCC(NC(=O)NCCCC(=O)[O-])C1=CC(OC)=CC(OC)=C1	REAL300013855134	0	46	-1.0	-48.62	368.13	4.31	-44.31
O=C([O-])CCCNC(=O)NCC(O)C1=CC=CC(C(F)(F)F)=C1	REAL300013855135	0	39	-1.0	-49.21	345.48	3.14	-46.07
CC1CN(CC2CN(C)CCO2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013855136	0	53	-1.0	-46.85	394.93	2.28	-44.57
COC(=O)C1=CC=C2CN(C(=O)NCCCC(=O)[O-])CC2=C1	REAL300013855137	0	39	-1.0	-50.17	334.76	6.76	-43.41
O=C([O-])CCCNC(=O)N1CCN(C(CO)C2=CC=C(Cl)C=C2)CC1	REAL300013855138	0	48	-1.0	-48.46	389.06	4.27	-44.19
C[C@@H](NC(=O)NCCCC(=O)[O-])C1=CC=C(F)C(Br)=C1	REAL300013855139	0	35	-1.0	-47.28	322.32	5.98	-41.30
O=C([O-])CCCNC(=O)N[C@H](CO)[C@H](O)C1=CC=C([N+](=O)[O-])C=C1	REAL300013855140	0	42	-1.0	-53.67	356.46	2.49	-51.18
CCC1=CC=C(CN(CC(C)C)C(=O)NCCCC(=O)[O-])C=C1	REAL300013855141	0	50	-1.0	-48.03	395.30	10.57	-37.46
COC(=O)CC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013855143	0	41	-1.0	-51.18	354.76	5.90	-45.28
COC1=CC=C(C(O)CNC(=O)NCCCC(=O)[O-])C=C1OC	REAL300013855144	0	44	-1.0	-51.86	365.50	1.35	-50.51
COC1=CC(CCNC(=O)NCCCC(=O)[O-])=CC(OC)=C1O	REAL300013855145	0	44	-1.0	-53.27	368.79	2.24	-51.03
COC1=CC2=C(C=C1O)CCN(C(=O)NCCCC(=O)[O-])C2	REAL300013855146	0	41	-1.0	-50.06	333.67	4.16	-45.90
O=C([O-])CCCNC(=O)N1CCC2=CC(Br)=CC(Cl)=C2C1	REAL300013855147	0	36	-1.0	-46.28	329.11	8.06	-38.22
CC1=CC=C(C2CCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013855148	0	45	-1.0	-47.65	353.64	9.03	-38.62
O=C([O-])CCCNC(=O)N1CCC(N2C=NC3=CC=CC=C3C2=O)CC1	REAL300013855149	0	47	-1.0	-52.33	376.52	8.25	-44.08
CC1=CC=C(CNC(=O)NCCCC(=O)[O-])C2=CC=CC=C12	REAL300013855150	0	41	-1.0	-47.90	338.39	7.09	-40.81
CS(=O)(=O)C1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013855151	0	38	-1.0	-54.30	326.40	2.83	-51.47
COC1=CC=C(C(NC(=O)NCCCC(=O)[O-])C2CC2)C=N1	REAL300013855152	0	42	-1.0	-47.50	344.48	3.78	-43.72
O=C([O-])CCCNC(=O)N1CCCC(N2CCCC2=O)CC1	REAL300013855153	0	46	-1.0	-49.54	353.44	6.89	-42.65
CC1=CC(Cl)=C2CN(C(=O)NCCCC(=O)[O-])CCC2=C1	REAL300013855154	0	39	-1.0	-47.53	329.22	8.11	-39.42
O=C([O-])CCCNC(=O)NCC1=CN2C=C(Cl)C=CC2=N1	REAL300013855155	0	35	-1.0	-50.40	321.51	5.46	-44.94
O=C([O-])CCCNC(=O)N1CCC2(CS(=O)(=O)C2)CC1	REAL300013855156	0	39	-1.0	-55.16	313.72	2.50	-52.66
CC(C)(CO)C(NC(=O)NCCCC(=O)[O-])C1=CC=CC=C1	REAL300013855157	0	45	-1.0	-46.68	344.92	3.97	-42.71
O=C([O-])CCCNC(=O)N1CCC(C2=CC=CC=C2F)CC1	REAL300013855158	0	42	-1.0	-47.31	337.26	8.37	-38.94
COC1=CC=C(CN(CCO)C(=O)NCCCC(=O)[O-])C=C1	REAL300013855159	0	43	-1.0	-53.43	353.75	4.25	-49.18
O=C([O-])CCCNC(=O)NCC(O)C1=C(F)C=CC=C1F	REAL300013855160	0	36	-1.0	-49.30	315.60	2.25	-47.05
O=C([O-])CCCNC(=O)NC(C1=CC=C(Cl)C=C1)C(F)(F)F	REAL300013855161	0	35	-1.0	-46.60	326.57	6.06	-40.54
O=C([O-])CCCNC(=O)N1CCCC1C(O)C1=CC=CC=C1	REAL300013855162	0	43	-1.0	-52.18	340.31	5.33	-46.85
O=C([O-])CCCNC(=O)N1CCCC(N2CCOCC2)CC1	REAL300013855163	1	48	-1.0	-48.52	352.25	4.05	-44.47
CC1CN(C(=O)NCCCC(=O)[O-])CCN1CC1=CC=CC=C1	REAL300013855164	0	47	-1.0	-46.70	364.91	6.54	-40.16
O=C([O-])CCCNC(=O)N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300013855165	0	41	-1.0	-49.43	336.12	6.11	-43.32
CN(C(=O)NCCCC(=O)[O-])C1CCCCC1C1=CC=CC=C1	REAL300013855166	0	48	-1.0	-48.44	370.06	9.89	-38.55
CN(CC(O)C1=CC=CC(C#N)=C1)C(=O)NCCCC(=O)[O-]	REAL300013855167	0	40	-1.0	-55.06	342.66	5.03	-50.03
CN(CC(O)C1=CC=C(C#N)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013855168	0	40	-1.0	-50.79	341.94	5.46	-45.33
O=C([O-])CCCNC(=O)N1CCCCC1C1CCCCC1O	REAL300013855169	0	49	-1.0	-46.21	348.53	5.96	-40.25
COC1=CC=C(CN(C)C(=O)NCCCC(=O)[O-])C=C1Cl	REAL300013855170	0	39	-1.0	-48.36	339.73	6.71	-41.65
COCC(COC)N1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855171	0	48	-1.0	-48.02	368.76	3.30	-44.72
O=C([O-])CCCNC(=O)NCC(O)C1=CC=CC2=CC=CC=C21	REAL300013855172	0	42	-1.0	-49.77	349.27	4.24	-45.53
CCCCCCCCC(CO)NC(=O)NCCCC(=O)[O-]	REAL300013855173	0	50	-1.0	-46.90	398.36	4.68	-42.22
CC1=CC(N(C)C)=CC=C1CC(C)NC(=O)NCCCC(=O)[O-]	REAL300013855174	0	49	-1.0	-50.04	386.80	7.06	-42.98
CC(C)[C@H](NC(=O)NCCCC(=O)[O-])[C@H](O)C(F)(F)F	REAL300013855175	0	38	-1.0	-47.55	316.08	2.40	-45.15
CC1CC2=CC=C(F)C(Br)=C2CN1C(=O)NCCCC(=O)[O-]	REAL300013855176	0	39	-1.0	-48.79	335.00	8.09	-40.70
O=C([O-])CCCNC(=O)N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300013855177	0	47	-1.0	-48.10	376.84	7.02	-41.08
O=C([O-])CCCNC(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300013855178	0	40	-1.0	-59.53	339.01	4.98	-54.55
O=C([O-])CCCNC(=O)NCC(O)C1=CC(F)=C(F)C(F)=C1	REAL300013855179	0	36	-1.0	-50.33	325.77	2.33	-48.00
O=C([O-])CCCNC(=O)NCC1CCC(C2=CC=CC=C2)O1	REAL300013855180	0	43	-1.0	-48.84	354.88	5.62	-43.22
CC1CC(NC(=O)NCCCC(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300013855181	0	48	-1.0	-47.40	360.53	8.64	-38.76
COC1=CC=C(CC(C)(CO)NC(=O)NCCCC(=O)[O-])C=C1	REAL300013855182	0	46	-1.0	-48.97	363.11	2.20	-46.77
COC1=CC=C(OC)C(C(O)C(C)NC(=O)NCCCC(=O)[O-])=C1	REAL300013855183	0	47	-1.0	-50.71	378.00	1.66	-49.05
COC1=CC=C(C(NC(=O)NCCCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013855184	0	46	-1.0	-49.23	382.18	7.81	-41.42
CC(CC1=CC=CC=C1)(NC(=O)NCCCC(=O)[O-])C1=CC=CC=C1	REAL300013855185	0	48	-1.0	-47.97	379.25	8.93	-39.04
CSC1=CC=CC=C1OCC(O)CN(C(=O)NCCCC(=O)[O-])C(C)C	REAL300013855186	0	53	-1.0	-53.63	427.14	7.39	-46.24
COC1=CC=C2CC(NC(=O)NCCCC(=O)[O-])CCC2=C1	REAL300013855187	0	43	-1.0	-49.35	347.84	5.60	-43.75
O=C([O-])CCCNC(=O)NC(CCO)C1=CC=CC(OC(F)(F)F)=C1	REAL300013855188	0	43	-1.0	-47.22	366.55	2.16	-45.06
O=C([O-])CCCNC(=O)N1CCCC1CC1=CC=CC=C1Br	REAL300013855189	0	42	-1.0	-45.97	345.96	8.50	-37.47
O=C([O-])CCCNC(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C(F)(F)F	REAL300013855190	0	38	-1.0	-47.96	348.55	6.54	-41.42
O=C([O-])CCCNC(=O)NC(CCO)C1=CC(Cl)=CC(Cl)=C1	REAL300013855192	0	39	-1.0	-45.95	354.03	3.39	-42.56
CC(C)CN(CC1=CC=C(F)C(Cl)=C1)C(=O)NCCCC(=O)[O-]	REAL300013855193	0	44	-1.0	-46.75	372.34	10.06	-36.69
O=C([O-])CCCNC(=O)NCC1=NC=C(Br)C=N1	REAL300013855194	0	30	-1.0	-47.14	289.15	2.26	-44.88
CC(C)C1CN(C(=O)NCCCC(=O)[O-])CCN1CC1=CC=CC=C1	REAL300013855195	1	53	-1.0	-46.45	397.26	7.98	-38.47
CC(C)(C)C(=O)N1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013855196	0	48	-1.0	-49.82	363.77	4.36	-45.46
CC(C)(CC1=CC=C2CCCCC2=C1)NC(=O)NCCCC(=O)[O-]	REAL300013855197	0	51	-1.0	-47.34	387.01	8.57	-38.77
O=C([O-])CCCNC(=O)NC1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300013855198	0	48	-1.0	-53.16	380.84	6.83	-46.33
O=C([O-])CCCNC(=O)NC(C1CCCOC1)C(F)(F)F	REAL300013855199	0	39	-1.0	-47.02	320.94	3.48	-43.54
O=C([O-])CCCNC(=O)NC1(C2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300013855200	0	42	-1.0	-48.53	354.17	7.19	-41.34
COCCN(CC(O)C(F)(F)F)C(=O)NCCCC(=O)[O-]	REAL300013855201	0	39	-1.0	-47.86	336.38	1.98	-45.88
O=C([O-])CCCNC(=O)NCC1(N2CCOCC2)CCCOC1	REAL300013855202	0	49	-1.0	-48.18	361.16	0.57	-47.61
O=C([O-])CCCNC(=O)NCC1=NC=CC(C(F)(F)F)=N1	REAL300013855203	0	33	-1.0	-50.07	307.74	2.68	-47.39
O=C([O-])CCCNC(=O)NC1(C2=CC=C(Br)C=N2)CCC1	REAL300013855204	0	38	-1.0	-49.95	337.68	5.24	-44.71
O=C([O-])CCCNC(=O)NCC1=CC(Cl)=CC(Br)=C1	REAL300013855205	0	32	-1.0	-45.44	315.84	5.57	-39.87
CCS(=O)(=O)N1CCC(CNC(=O)NCCCC(=O)[O-])CC1	REAL300013855206	0	46	-1.0	-53.52	376.26	2.20	-51.32
O=C([O-])CCCNC(=O)NCCOC1=CC(F)=CC(F)=C1	REAL300013855207	0	36	-1.0	-48.12	320.53	4.22	-43.90
O=C([O-])CCCNC(=O)NCC1=CC=CC(Br)=C1Cl	REAL300013855208	0	32	-1.0	-48.00	311.60	5.43	-42.57
O=C([O-])CCCNC(=O)N[C@H](CO)C1=CC=C(Cl)C=C1	REAL300013855210	0	36	-1.0	-46.82	320.85	2.67	-44.15
O=C([O-])CCCNC(=O)N[C@@H](CO)C1=CC=C(Cl)C=C1	REAL300013855211	0	36	-1.0	-46.85	320.83	2.67	-44.18
COC1=CC=C(Cl)C=C1C(C)(C)NC(=O)NCCCC(=O)[O-]	REAL300013855213	0	42	-1.0	-46.88	347.52	5.72	-41.16
O=C([O-])CCCNC(=O)NC(CCO)C1=CC=C(Cl)C(F)=C1	REAL300013855214	0	39	-1.0	-47.53	343.20	2.94	-44.59
O=C([O-])CCCNC(=O)N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F	REAL300013855215	0	35	-1.0	-47.01	316.23	5.61	-41.40
O=C([O-])CCCNC(=O)N[C@H](C1=CC=C(F)C=C1)C(F)(F)F	REAL300013855216	0	35	-1.0	-47.00	316.24	5.61	-41.39
COC1=CC=C(C(NC(=O)NCCCC(=O)[O-])C(F)(F)F)C=C1	REAL300013855217	0	39	-1.0	-48.19	339.32	4.84	-43.35
CCN(CCC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013855218	0	44	-1.0	-48.16	377.48	9.63	-38.53
O=C([O-])CCCNC(=O)N1CCCC1C1=CC=C(Br)C=N1	REAL300013855219	0	38	-1.0	-48.04	335.35	6.47	-41.57
N#CC1=CC=C2C(=C1)CCCC2NC(=O)NCCCC(=O)[O-]	REAL300013855220	0	40	-1.0	-49.67	331.89	6.31	-43.36
COC1=CC=C(C(C)(C)NC(=O)NCCCC(=O)[O-])C=C1F	REAL300013855221	0	42	-1.0	-49.59	339.78	5.05	-44.54
COC1=CC=CC=C1C(=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855222	0	47	-1.0	-53.35	376.40	6.14	-47.21
O=C([O-])CCCNC(=O)N1CCC(N2CCCS2(=O)=O)CC1	REAL300013855223	0	44	-1.0	-55.37	355.52	3.00	-52.37
CC(C)C1=CC=CC=C1OCC(O)CNC(=O)NCCCC(=O)[O-]	REAL300013855224	0	49	-1.0	-49.21	398.81	3.73	-45.48
CN(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)NCCCC(=O)[O-]	REAL300013855225	0	45	-1.0	-56.71	383.02	7.21	-49.50
CC(C)(NC(=O)NCCCC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013855226	0	41	-1.0	-46.35	342.82	6.67	-39.68
O=C([O-])CCCNC(=O)NC1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300013855227	0	39	-1.0	-47.72	341.42	6.55	-41.17
O=C([O-])CCCNC(=O)NC1CCC2=CC=CC=C2NC1=O	REAL300013855228	0	40	-1.0	-54.43	328.64	3.93	-50.50
CN1C=CN=C1C(CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013855229	0	45	-1.0	-51.65	377.24	7.46	-44.19
CN(C)CC(NC(=O)NCCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013855232	1	46	-1.0	-48.62	388.53	5.63	-42.99
COC1=CC=CC(C2(NC(=O)NCCCC(=O)[O-])CCC2)=C1	REAL300013855233	0	43	-1.0	-51.88	344.25	5.37	-46.51
O=C([O-])CCCNC(=O)NC1(C2=CC=CC=C2Cl)CCC1	REAL300013855234	0	39	-1.0	-46.55	330.73	6.51	-40.04
O=C([O-])CCCNC(=O)NC1(C2=CC=CC(Cl)=C2)CCC1	REAL300013855235	0	39	-1.0	-47.38	331.54	6.61	-40.77
O=C([O-])CCCNC(=O)NC1CSCC2=CC=C(Br)C=C21	REAL300013855236	0	37	-1.0	-48.02	337.06	7.07	-40.95
O=C([O-])CCCNC(=O)N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300013855237	0	40	-1.0	-49.52	342.30	7.54	-41.98
O=C([O-])CCCNC(=O)NC1CCN(CC2=CC=CC(Br)=C2)CC1	REAL300013855238	0	47	-1.0	-47.72	393.68	5.77	-41.95
CC1=CC=C(Br)C(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013855239	0	35	-1.0	-47.13	317.46	5.73	-41.40
CC1=CC=C(CN(CC(C)C)C(=O)NCCCC(=O)[O-])C(C)=C1	REAL300013855240	0	50	-1.0	-48.33	388.84	10.63	-37.70
CC(C)CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NCCCC(=O)[O-]	REAL300013855241	0	47	-1.0	-46.48	382.87	10.29	-36.19
O=C([O-])CCCNC(=O)NCC(O)C1=CC=C(Cl)C(Cl)=C1	REAL300013855242	0	36	-1.0	-48.77	338.69	3.12	-45.65
CC(C)C(O)C(NC(=O)NCCCC(=O)[O-])C1=CC=CC=C1	REAL300013855243	0	45	-1.0	-47.46	356.36	5.05	-42.41
COCCC1=CC=C(OCC(O)CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013855244	0	50	-1.0	-49.91	416.76	2.24	-47.67
O=C([O-])CCCNC(=O)NC1(C2=CC=CC=C2Br)CCC1	REAL300013855245	0	39	-1.0	-46.53	333.94	6.65	-39.88
CN(CC(O)C1=CC=CC(Br)=C1)C(=O)NCCCC(=O)[O-]	REAL300013855246	0	39	-1.0	-47.79	343.51	5.59	-42.20
O=C([O-])CCCNC(=O)N[C@H]1CC[C@@H](C2=NC3=CC=CC=C3N2)CC1	REAL300013855247	0	48	-1.0	-51.17	380.85	6.84	-44.33
CCOC(=O)C1=C(N)N(C2CCN(C(=O)NCCCC(=O)[O-])CC2)C=N1	REAL300013855250	0	50	-1.0	-54.44	403.16	7.48	-46.96
CC1=C(Br)N2CCN(C(=O)NCCCC(=O)[O-])C(C)C2=N1	REAL300013855251	0	39	-1.0	-47.41	336.19	6.48	-40.93
O=C([O-])CCCNC(=O)NC(C1=CC=C(F)C(Cl)=C1)C(F)(F)F	REAL300013855252	0	35	-1.0	-47.52	332.44	6.11	-41.41
NC(=O)C1=CN(C2CCN(C(=O)NCCCC(=O)[O-])CC2)N=N1	REAL300013855253	0	42	-1.0	-52.58	347.94	0.88	-51.70
O=C([O-])CCCNC(=O)N(CC1=CC=CC(O)=C1)[C@H]1CC[C@H](O)CC1	REAL300013855254	0	50	-1.0	-50.20	390.88	4.70	-45.50
CC(C)C(NC(=O)NCCCC(=O)[O-])C(O)C1=CC=C(Cl)C=C1	REAL300013855255	0	45	-1.0	-48.32	367.28	4.95	-43.37
O=C([O-])CCCNC(=O)NC1(CC2=CC=C(Cl)C=C2)CCCOC1	REAL300013855256	0	46	-1.0	-47.86	373.30	6.46	-41.40
O=C([O-])CCCNC(=O)NC(C1CCCO1)C1(CO)CCC1	REAL300013855257	0	47	-1.0	-48.63	360.46	2.34	-46.29
CN1C=CN=C1C(NC(=O)NCCCC(=O)[O-])C(C)(C)CO	REAL300013855258	0	45	-1.0	-49.25	349.37	2.55	-46.70
CC(C)(CC1=CC=C(F)C=C1F)NC(=O)NCCCC(=O)[O-]	REAL300013855259	0	41	-1.0	-48.49	333.10	6.10	-42.39
O=C([O-])CCCNC(=O)NC(C1=CC=CC=C1)C1(CO)CCC1	REAL300013855260	0	46	-1.0	-48.04	357.50	4.09	-43.95
O=C([O-])CCCNC(=O)N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300013855261	0	42	-1.0	-49.55	350.10	3.32	-46.23
CC(=O)NC1=CC=CC2=C1CCN(C(=O)NCCCC(=O)[O-])C2	REAL300013855262	0	43	-1.0	-52.11	347.54	6.17	-45.94
CN(C)C1=NOC(C2CCCN2C(=O)NCCCC(=O)[O-])=N1	REAL300013855263	0	42	-1.0	-54.95	347.59	5.62	-49.33
COC(=O)C1CN(C)CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013855264	1	43	-1.0	-48.18	340.57	4.06	-44.12
O=C([O-])CCCNC(=O)NC(C1=CC=CS1)C1(CO)CCC1	REAL300013855265	0	43	-1.0	-47.31	349.61	4.02	-43.29
CC1=CC=C(CC(O)CNC(=O)NCCCC(=O)[O-])C(C)=C1	REAL300013855267	0	45	-1.0	-48.32	369.27	3.96	-44.36
CC1=C2NC(CNC(=O)NCCCC(=O)[O-])=CC2=CC(Br)=C1	REAL300013855268	0	39	-1.0	-46.93	352.23	5.64	-41.29
O=C([O-])CCCNC(=O)NCCC(O)CCC1=CC=CC=C1	REAL300013855269	0	45	-1.0	-49.79	373.38	4.32	-45.47
CC1CC(NC(=O)NCCCC(=O)[O-])C(=O)N1C1=CN(C)N=C1	REAL300013855271	0	43	-1.0	-61.81	363.69	3.41	-58.40
O=C([O-])CCCNC(=O)NC1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300013855272	0	45	-1.0	-47.70	374.13	8.13	-39.57
CC(C)C[C@H](NC(=O)NCCCC(=O)[O-])C(=O)N1CCOCC1	REAL300013855273	0	49	-1.0	-48.29	373.40	2.92	-45.37
O=C([O-])CCCNC(=O)NC1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300013855274	0	43	-1.0	-49.03	367.31	6.79	-42.24
O=C([O-])CCCNC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300013855275	0	35	-1.0	-47.16	299.14	5.46	-41.70
O=C([O-])CCCNC(=O)N1CCC2=C(F)C=C(Br)C=C2C1	REAL300013855276	0	36	-1.0	-46.32	320.03	7.71	-38.61
CC1(CC2=CC=C(F)C=C2)CCCN1C(=O)NCCCC(=O)[O-]	REAL300013855277	0	45	-1.0	-48.12	355.31	8.69	-39.43
O=C([O-])CCCNC(=O)NC(CC1CCCO1)C(F)(F)F	REAL300013855278	0	39	-1.0	-48.19	328.47	4.40	-43.79
O=C([O-])CCCNC(=O)NCC1(CO)CCC2=CC=CC=C21	REAL300013855279	0	43	-1.0	-50.17	345.60	4.00	-46.17
CC1CCC(O)C(C2CCCCN2C(=O)NCCCC(=O)[O-])C1	REAL300013855280	0	52	-1.0	-43.94	360.07	5.94	-38.00
NC(=O)OCC(CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013855281	0	43	-1.0	-52.98	366.40	2.33	-50.65
CC12CC3CC(C)(C1)CC(NC(=O)NCCCC(=O)[O-])(C3)C2	REAL300013855282	0	49	-1.0	-47.01	353.81	6.68	-40.33
O=C([O-])CCCNC(=O)NC(CO)C1=CC=CC(Cl)=C1Cl	REAL300013855283	0	36	-1.0	-48.23	333.44	2.95	-45.28
O=C([O-])CCCNC(=O)NC(CO)C1=CC=CC=C1I	REAL300013855284	0	36	-1.0	-48.00	327.39	3.02	-44.98
CC(NC(=O)NCCCC(=O)[O-])C1=CSC(C(F)(F)F)=C1	REAL300013855285	0	35	-1.0	-46.85	326.57	5.48	-41.37
CC1=CC(Cl)=CC=C1C1=CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855286	0	43	-1.0	-46.86	364.04	9.49	-37.37
O=C([O-])CCCNC(=O)N1CCN2C(=NN=C2C2=CC=C(Cl)C=C2)C1	REAL300013855287	0	42	-1.0	-51.96	360.04	8.54	-43.42
O=C([O-])CCCNC(=O)N1CC[C@@H](O)[C@H]1C1=CC=C(Cl)C=C1	REAL300013855288	0	40	-1.0	-50.47	343.99	5.44	-45.03
CCN(CCOC1=CC=CC=C1C)C(=O)NCCCC(=O)[O-]	REAL300013855289	0	45	-1.0	-51.89	365.01	8.60	-43.29
COC1=CC=C(Br)C=C1C1(NC(=O)NCCCC(=O)[O-])CC1	REAL300013855290	0	40	-1.0	-48.20	353.20	5.62	-42.58
O=C([O-])CCCNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1	REAL300013855291	0	42	-1.0	-63.44	320.14	3.89	-59.55
O=C([O-])CCCNC(=O)N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300013855292	0	46	-1.0	-46.76	360.22	9.02	-37.74
NC(=O)[C@@H]1CN(C(=O)NCCCC(=O)[O-])C[C@H]1C1=CC=CC=C1	REAL300013855293	0	43	-1.0	-55.08	352.63	4.13	-50.95
NC(=O)C1(C2=CC=CC=C2)CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013855294	0	43	-1.0	-52.33	350.66	3.88	-48.45
COC(=O)[C@@H]1CN(C(=O)NCCCC(=O)[O-])C[C@H]1C1=CC=CC=C1	REAL300013855295	0	45	-1.0	-48.55	371.48	8.03	-40.52
O=C([O-])CCCNC(=O)NC(CO)C1=CC=CC=C1C(F)(F)F	REAL300013855296	0	39	-1.0	-49.43	331.92	2.74	-46.69
CN(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)NCCCC(=O)[O-]	REAL300013855297	0	45	-1.0	-56.74	399.65	3.88	-52.86
CC1(C)CC(C2=CC=CC=C2)N(C(=O)NCCCC(=O)[O-])C1	REAL300013855298	0	45	-1.0	-48.14	359.13	9.13	-39.01
O=C([O-])CCCNC(=O)NC(C1CCOCC1)C1(CO)CCC1	REAL300013855299	0	50	-1.0	-50.13	369.11	2.71	-47.42
CC1=CC=C(C2(NC(=O)NCCCC(=O)[O-])CCCCC2)C(Br)=C1	REAL300013855300	0	48	-1.0	-46.56	379.18	9.51	-37.05
COC1=CC=C(Cl)C=C1C(C)(C)NC(=O)NCCCC(=O)[O-]	REAL300013855301	0	42	-1.0	-46.88	347.52	5.72	-41.16
CC1(CC2=CC=CC(F)=C2)CCCN1C(=O)NCCCC(=O)[O-]	REAL300013855302	0	45	-1.0	-53.19	352.94	8.96	-44.23
COCCN1[C@H](C)CN(C(=O)NCCCC(=O)[O-])C[C@@H]1C	REAL300013855304	1	47	-1.0	-47.07	348.03	3.39	-43.68
CC1(CC2=CC=CC=C2F)CCCN1C(=O)NCCCC(=O)[O-]	REAL300013855305	0	45	-1.0	-52.82	347.98	8.76	-44.06
CC1=CC(CN(C(=O)NCCCC(=O)[O-])C2CC2)=CC(S(N)(=O)=O)=C1C	REAL300013855306	0	50	-1.0	-53.50	403.14	4.67	-48.83
C[C@H]1[C@H](C2=CC=CC(F)=C2)OCCN1C(=O)NCCCC(=O)[O-]	REAL300013855307	0	43	-1.0	-47.12	344.05	6.76	-40.36
CN(CCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)NCCCC(=O)[O-]	REAL300013855308	0	45	-1.0	-59.43	388.82	4.68	-54.75
O=C([O-])CCCNC(=O)NC(C1=CC=NC=C1)C1(CO)CCC1	REAL300013855309	0	45	-1.0	-48.79	352.60	2.66	-46.13
CC(CSC1=CC=CC=C1)N(C)C(=O)NCCCC(=O)[O-]	REAL300013855310	0	42	-1.0	-51.20	351.33	8.77	-42.43
CC1(CC2=CC=CC(Cl)=C2)CCCN1C(=O)NCCCC(=O)[O-]	REAL300013855311	0	45	-1.0	-51.52	363.26	9.41	-42.11
O=C([O-])CCCNC(=O)N1CCC2(CC1)C(F)(F)C2(F)F	REAL300013855312	0	36	-1.0	-45.70	309.23	6.49	-39.21
COC1=CC=C(Cl)C2=C1CCCC2N(C)C(=O)NCCCC(=O)[O-]	REAL300013855313	0	46	-1.0	-49.01	364.29	7.70	-41.31
CC1CC1C1=NOC(CC2CCN(C(=O)NCCCC(=O)[O-])CC2)=N1	REAL300013855314	0	50	-1.0	-50.87	398.79	7.17	-43.70
O=C([O-])CCCNC(=O)NC1CC2=CC=CC=C2N(C(=O)C(F)(F)F)C1	REAL300013855315	0	43	-1.0	-49.24	364.37	5.62	-43.62
C[C@@H]1CN(CC2=CC=C(CN(C)C(=O)NCCCC(=O)[O-])C=C2)C[C@H](C)O1	REAL300013855317	1	57	-1.0	-49.49	445.74	7.44	-42.05
COC(=O)[C@]12CN(C(=O)NCCCC(=O)[O-])C[C@H]1CCCC2	REAL300013855318	0	45	-1.0	-51.68	349.40	6.82	-44.86
CC(C)OC(=O)CC(NC(=O)NCCCC(=O)[O-])C(C)C	REAL300013855319	0	46	-1.0	-53.11	365.18	5.83	-47.28
CC(C)C1=CC=C(C(C)(C)NC(=O)NCCCC(=O)[O-])C=C1	REAL300013855320	0	47	-1.0	-46.03	364.30	7.60	-38.43
O=C([O-])CCCNC(=O)NC1(C2=CC=C(Br)C=C2)CCCCC1	REAL300013855321	0	45	-1.0	-47.28	365.54	8.49	-38.79
COC1CCCC(C(CO)NC(=O)NCCCC(=O)[O-])C1	REAL300013855322	0	46	-1.0	-47.69	359.72	1.48	-46.21
O=C([O-])CCCNC(=O)N1CCC(O)(C2CCOC2)CC1	REAL300013855323	0	44	-1.0	-47.86	331.72	2.71	-45.15
O=C([O-])CCCNC(=O)N1CCC(C2=CC=C(CO)C=C2)CC1	REAL300013855324	0	46	-1.0	-50.12	365.05	5.68	-44.44
NC(=O)C1=CN(CCCCNC(=O)NCCCC(=O)[O-])N=N1	REAL300013855325	0	41	-1.0	-56.14	356.61	-0.68	-56.82
O=C([O-])CCCNC(=O)NC(CCC1=CC=CC=C1)C(F)F	REAL300013855326	0	41	-1.0	-46.07	352.16	7.25	-38.82
N#CC1=CC=C(C2(NC(=O)NCCCC(=O)[O-])CCC2)C=C1	REAL300013855327	0	40	-1.0	-49.96	335.79	6.53	-43.43
O=C([O-])CCCNC(=O)NCC1=CC(OCC(F)F)=CC=N1	REAL300013855328	0	38	-1.0	-54.06	337.40	3.16	-50.90
COC1=CC(C(NC(=O)NCCCC(=O)[O-])C(F)(F)F)=CC(OC)=C1OC	REAL300013855329	0	47	-1.0	-50.06	401.70	4.68	-45.38
O=C([O-])CCCNC(=O)NC(C1=CC=CC=C1OC(F)F)C(F)(F)F	REAL300013855330	0	39	-1.0	-48.94	350.66	5.82	-43.12
CC(C)(NC(=O)NCCCC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300013855331	0	44	-1.0	-47.48	350.03	7.94	-39.54
O=C([O-])CCCNC(=O)NC1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300013855332	0	40	-1.0	-47.75	348.60	5.57	-42.18
CC(C)(CO)C(NC(=O)NCCCC(=O)[O-])C1=CC=CN=C1	REAL300013855333	0	44	-1.0	-50.82	349.88	2.32	-48.50
CC(C)(CO)C(NC(=O)NCCCC(=O)[O-])C1=CC=CS1	REAL300013855334	0	42	-1.0	-48.85	345.93	3.08	-45.77
O=C([O-])CCCNC(=O)NC(C1=CC=C(OC(F)F)C=C1)C(F)(F)F	REAL300013855335	0	39	-1.0	-49.76	349.08	5.11	-44.65
CN(C(=O)NCCCC(=O)[O-])C(C1=NC=CN1)C1=CC=C(F)C=C1	REAL300013855336	0	42	-1.0	-49.30	350.44	7.84	-41.46
CC1=CC=CC(C)=C1CN(CC(C)C)C(=O)NCCCC(=O)[O-]	REAL300013855337	0	50	-1.0	-47.15	358.10	9.78	-37.37
COC1=CC=C([C@@H](NC(=O)NCCCC(=O)[O-])C(F)(F)F)C=C1F	REAL300013855338	0	39	-1.0	-49.87	345.53	4.92	-44.95
CC1CCN(C(=O)NCCCC(=O)[O-])CC1NC(=O)C(F)(F)F	REAL300013855339	0	42	-1.0	-51.20	350.02	4.66	-46.54
O=C([O-])CCCNC(=O)N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300013855340	0	41	-1.0	-54.25	340.90	4.91	-49.34
O=C([O-])CCCNC(=O)N1CCOC2=C(Br)C=CC=C2C1	REAL300013855341	0	37	-1.0	-46.19	322.73	6.70	-39.49
CC(C)NS(=O)(=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855342	0	45	-1.0	-51.65	363.08	1.36	-50.29
CCS(=O)(=O)C1=CC(Cl)=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013855345	0	41	-1.0	-53.67	376.71	3.38	-50.29
O=C([O-])CCCNC(=O)NCC1=CC=C(NC2=CC=NC=C2)C=C1	REAL300013855346	1	43	-1.0	-49.11	364.00	5.04	-44.07
O=C([O-])CCCNC(=O)NCC1=CC=C(NC2=CC(C(F)(F)F)=CC=N2)C=C1	REAL300013855347	0	46	-1.0	-49.00	401.82	6.82	-42.18
O=C([O-])CCCNC(=O)N1CCC(F)(F)C2(CCOC2)C1	REAL300013855349	0	40	-1.0	-46.19	316.43	4.88	-41.31
CCC1(CC2=CC=CC=C2)CCCN1C(=O)NCCCC(=O)[O-]	REAL300013855350	0	48	-1.0	-48.67	362.14	9.76	-38.91
CC1=CC(C2CCN(C(=O)NCCCC(=O)[O-])C2)=C(O)C=C1Cl	REAL300013855351	0	43	-1.0	-49.65	362.69	5.73	-43.92
CC1C(=O)NC2=CC=CC=C2CN1C(=O)NCCCC(=O)[O-]	REAL300013855352	0	40	-1.0	-50.08	323.58	5.40	-44.68
CN(C(=O)NCCCC(=O)[O-])C(CO)C1=CC=CC(Cl)=C1Cl	REAL300013855353	0	39	-1.0	-51.32	339.88	5.51	-45.81
CSC1=CC=C(C2(NC(=O)NCCCC(=O)[O-])CCOC2)C=C1	REAL300013855354	0	44	-1.0	-49.36	362.36	5.45	-43.91
O=C([O-])CCCNC(=O)NC(CO)C1=CC=C(F)C=C1F	REAL300013855356	0	36	-1.0	-47.46	316.29	2.23	-45.23
CC1(NC(=O)C(F)(F)F)CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013855357	0	39	-1.0	-52.92	334.63	3.13	-49.79
C[C@@H]1CCN(C(=O)NCCCC(=O)[O-])C[C@@H]1NC(=O)C(F)(F)F	REAL300013855358	0	42	-1.0	-51.26	349.98	4.67	-46.59
O=C([O-])CCCNC(=O)NC(C1=CC=CC=C1)C1=CC=C(OC(F)F)C=C1	REAL300013855359	0	46	-1.0	-50.75	391.94	8.10	-42.65
CN1N=CC2=C1CC(C)(C)CN(C(=O)NCCCC(=O)[O-])C2	REAL300013855360	0	45	-1.0	-52.89	347.34	6.63	-46.26
CN1CC2=CC=CC=C2C(NC(=O)NCCCC(=O)[O-])C1=O	REAL300013855361	0	40	-1.0	-56.65	333.68	4.30	-52.35
O=C([O-])CCCNC(=O)N1CC2=CC=CN=C2N2C[C@H](O)C[C@H]2C1	REAL300013855362	0	45	-1.0	-50.87	352.06	3.05	-47.82
CO[C@@H]1C[C@@H]2CN(C(=O)NCCCC(=O)[O-])CC3=CC=CN=C3N2C1	REAL300013855363	0	48	-1.0	-52.79	373.58	5.52	-47.27
CCOC(=O)CCCCCCCCCCCNC(=O)NCCCC(=O)[O-]	REAL300013855364	0	61	-1.0	-50.83	488.71	10.20	-40.63
O=C([O-])CCCNC(=O)N[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300013855365	0	40	-1.0	-48.58	344.63	6.12	-42.46
CN1C2(CCC2)COCC1(CO)CNC(=O)NCCCC(=O)[O-]	REAL300013855366	0	49	-1.0	-48.07	356.69	-1.37	-49.44
COC1=CC=CC(C(O)C2CCN(C(=O)NCCCC(=O)[O-])CC2)=C1	REAL300013855367	0	50	-1.0	-51.00	389.48	5.30	-45.70
O=C([O-])CCCNC(=O)N1CC[C@@H](O)[C@H]1C1=CC=C(Br)C=C1	REAL300013855368	0	40	-1.0	-50.53	348.56	5.55	-44.98
O=C([O-])CCCNC(=O)N1CCC(C2=NC=CC(C3=CC=CC(F)=C3)=N2)CC1	REAL300013855369	0	50	-1.0	-53.60	408.57	9.35	-44.25
COC1CC2CN(C(=O)NCCCC(=O)[O-])CC3=CC=CN=C3N2C1	REAL300013855370	0	48	-1.0	-50.63	374.03	5.42	-45.21
CCOC(=O)C1(CNC(=O)NCCCC(=O)[O-])CCCOC1	REAL300013855371	0	45	-1.0	-48.74	356.98	4.29	-44.45
CC(CO)(CC1=CC=CC=C1F)NC(=O)NCCCC(=O)[O-]	REAL300013855372	0	42	-1.0	-49.34	334.71	3.07	-46.27
COC1=CC=CC=C1CC(C)(CO)NC(=O)NCCCC(=O)[O-]	REAL300013855373	0	46	-1.0	-48.80	359.33	2.46	-46.34
O=C([O-])CCCNC(=O)N1CCC(C2=NC=CC(C3=CC=CN=C3)=N2)CC1	REAL300013855374	0	49	-1.0	-53.94	397.12	7.51	-46.43
CC(CO)(CC1=CC=C(Br)C=C1)NC(=O)NCCCC(=O)[O-]	REAL300013855375	0	42	-1.0	-47.56	355.80	3.49	-44.07
CC(CO)(CC1=CC=C(F)C=C1)NC(=O)NCCCC(=O)[O-]	REAL300013855376	0	42	-1.0	-48.19	340.92	2.94	-45.25
O=C([O-])CCCNC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1	REAL300013855377	0	47	-1.0	-55.03	385.23	1.89	-53.14
CCOC(=O)C1CN(C(=O)NCCCC(=O)[O-])CCC1(F)F	REAL300013855378	0	41	-1.0	-49.15	340.49	6.47	-42.68
O=C([O-])CCCNC(=O)N1CCC(C2=NC=CC(N3CCOCC3)=N2)CC1	REAL300013855379	0	53	-1.0	-51.57	410.69	5.31	-46.26
O=C([O-])CCCNC(=O)N1CC2=CC=CN=C2N2CCC[C@@H]2C1	REAL300013855380	0	44	-1.0	-50.84	341.09	6.43	-44.41
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CC(NC(=O)NCCCC(=O)[O-])C1=CC=C(N2CCNC2=O)C=C1	REAL300013855386	0	45	-1.0	-56.13	367.81	4.04	-52.09
COC1=CC(CCCNC(=O)NCCCC(=O)[O-])=CC(OC)=C1O	REAL300013855387	0	47	-1.0	-52.65	390.29	3.02	-49.63
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CC1=CC=C(OC2=CC=CC=C2CCNC(=O)NCCCC(=O)[O-])C=C1	REAL300013855392	0	49	-1.0	-50.98	409.20	8.83	-42.15
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CS(=O)(=O)CC1(CNC(=O)NCCCC(=O)[O-])CCC1	REAL300013855396	0	41	-1.0	-59.04	339.97	1.78	-57.26
COC1=CC=CC([C@@H]2C[C@H]2CNC(=O)NCCCC(=O)[O-])=C1	REAL300013855397	0	43	-1.0	-49.46	356.35	5.88	-43.58
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COC(=O)C1=CN=C(C(C)NC(=O)NCCCC(=O)[O-])S1	REAL300013855399	0	37	-1.0	-48.32	339.36	3.29	-45.03
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COC1=CC(CNC(=O)NCCCC(=O)[O-])=C(Br)C=C1O	REAL300013855401	0	37	-1.0	-48.63	336.26	2.20	-46.43
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)NCCCC(=O)[O-])CCCN1C1CC1	REAL300013855402	1	54	-1.0	-49.83	411.69	6.10	-43.73
O=C([O-])CCCNC(=O)NC[C@@H]1CC(=O)N(C2CC2)[C@H]1C1=CC=NC=C1	REAL300013855403	0	49	-1.0	-52.01	399.72	5.68	-46.33
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CCOC(=O)CC1=CSC(C2CCN(C(=O)NCCCC(=O)[O-])CC2)=N1	REAL300013855405	0	50	-1.0	-52.29	418.68	7.79	-44.50
N#CC1=CC=CC(C(NC(=O)NCCCC(=O)[O-])C(F)(F)F)=C1	REAL300013855406	0	36	-1.0	-50.33	330.64	5.93	-44.40
COC1=CC=C(CC(C)(CO)NC(=O)NCCCC(=O)[O-])C=C1OC	REAL300013855407	0	50	-1.0	-51.18	392.30	2.10	-49.08
CC1(CC2=CC=CC(Br)=C2)CCCN1C(=O)NCCCC(=O)[O-]	REAL300013855408	0	45	-1.0	-51.36	367.82	9.52	-41.84
CN(C)CC1=C2CN(C(=O)NCCCC(=O)[O-])CCN2N=C1	REAL300013855409	1	44	-1.0	-47.32	352.47	3.46	-43.86
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CC(C)(NC(=O)NCCCC(=O)[O-])C1=CC=C(F)C=C1F	REAL300013855416	0	38	-1.0	-46.90	314.84	5.63	-41.27
O=C([O-])CCCNC(=O)N1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(CC3=CC=CC=C3)C(=O)[C@H]12	REAL300013855417	0	53	-1.0	-50.46	419.37	8.54	-41.92
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O=C([O-])CCCNC(=O)N[C@@H]1CN(CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300013855419	0	47	-1.0	-48.77	394.46	5.27	-43.50
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CN(CC1=NC=C(Br)C=N1)C(=O)NCCCC(=O)[O-]	REAL300013855421	0	33	-1.0	-48.95	306.52	4.72	-44.23
COC(=O)C1(CCCCNC(=O)NCCCC(=O)[O-])CCC1	REAL300013855422	0	47	-1.0	-51.92	379.63	6.18	-45.74
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O=C([O-])CCCNC(=O)NC1(C2=NC=C(Br)C=N2)CCC1	REAL300013855427	0	37	-1.0	-49.38	332.67	4.09	-45.29
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CN(CCC1=NC=CC(C(F)(F)F)=N1)C(=O)NCCCC(=O)[O-]	REAL300013855430	0	39	-1.0	-53.58	346.87	5.83	-47.75
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COC(=O)C1=CN(C2CCCN(C(=O)NCCCC(=O)[O-])CC2)N=N1	REAL300013855434	0	47	-1.0	-56.34	382.77	5.87	-50.47
O=C([O-])CCCNC(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1	REAL300013855435	0	47	-1.0	-51.59	349.16	0.66	-50.93
O=C([O-])CCCNC(=O)N1C[C@@]2(CO)C[C@@]2(C(F)(F)F)C1	REAL300013855436	0	37	-1.0	-47.84	320.05	3.04	-44.80
O=C([O-])CCCNC(=O)NC(C1=CC=CC=C1)C1=CC(Cl)=CC(Cl)=C1	REAL300013855437	0	42	-1.0	-46.78	386.23	9.56	-37.22
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CCOC(=O)CSC(CNC(=O)NCCCC(=O)[O-])C(F)(F)F	REAL300013855439	0	41	-1.0	-51.34	370.82	5.48	-45.86
O=C([O-])CCCNC(=O)NC1CCC2=CC=CC3=CC=CC1=C32	REAL300013855440	0	42	-1.0	-49.38	337.42	7.83	-41.55
O=C([O-])CCCNC(=O)NC1CCC2=CC(Br)=CC=C2NC1=O	REAL300013855441	0	40	-1.0	-53.27	349.95	4.57	-48.70
C[C@H](NC(=O)NCCCC(=O)[O-])C1=CC=C(S(N)(=O)=O)C=C1	REAL300013855442	0	40	-1.0	-53.20	349.48	0.29	-52.91
O=C([O-])CCCNC(=O)NCCC1=CC(F)=CC(OCC2=CC=CC=C2)=C1	REAL300013855443	0	49	-1.0	-50.34	416.99	8.58	-41.76
O=C([O-])CCCNC(=O)NCC1=NSC2=CC=C(Cl)C=C21	REAL300013855444	0	34	-1.0	-47.45	325.24	4.98	-42.47
COC(=O)C1CC2(C1)CC(NC(=O)NCCCC(=O)[O-])CCS2	REAL300013855445	0	46	-1.0	-48.77	381.40	6.35	-42.42
CCOC(=O)[C@@H]1C[C@@H](NC(=O)NCCCC(=O)[O-])CCO1	REAL300013855446	0	42	-1.0	-49.54	344.81	4.55	-44.99
COC(=O)C1CC2(C1)CC(NC(=O)NCCCC(=O)[O-])CCS2(=O)=O	REAL300013855447	0	48	-1.0	-57.12	396.53	2.65	-54.47
O=C([O-])CCCNC(=O)NC1CCC2(CS(=O)(=O)C2)CC1	REAL300013855448	0	42	-1.0	-55.42	339.01	1.89	-53.53
COC1=CC(CCNC(=O)NCCCC(=O)[O-])=CC(OC)=C1	REAL300013855449	0	43	-1.0	-51.01	358.32	3.84	-47.17
CC1(CC2=CC(F)=CC=C2F)CCCN1C(=O)NCCCC(=O)[O-]	REAL300013855450	0	45	-1.0	-47.91	358.41	8.69	-39.22
CC(C)(C)C1=CC=C(C2(NC(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013855451	0	48	-1.0	-48.11	381.59	8.00	-40.11
O=C([O-])CCCNC(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300013855452	0	40	-1.0	-47.14	331.52	7.93	-39.21
O=C([O-])CCCNC(=O)N(CC1=CC=C2OCOC2=C1)CC1CC1	REAL300013855453	0	45	-1.0	-52.97	374.01	8.07	-44.90
O=C([O-])CCCNC(=O)NC(CCC1=CC=CC=C1)CC(F)(F)F	REAL300013855454	0	44	-1.0	-51.09	367.32	7.54	-43.55
O=C([O-])CCCNC(=O)N1C[C@H]2[C@](C(F)(F)F)(CCS2(=O)=O)C1	REAL300013855455	0	39	-1.0	-52.60	335.62	2.67	-49.93
O=C([O-])CCCNC(=O)NC(CN1CCCS1(=O)=O)C1CC1	REAL300013855456	0	44	-1.0	-54.29	359.29	2.97	-51.32
COCCOCCOCCC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855457	0	56	-1.0	-51.59	438.55	5.76	-45.83
COC1=CC=C2C(=C1)CCN(C(=O)NCCCC(=O)[O-])C2C	REAL300013855458	0	43	-1.0	-47.97	341.94	7.03	-40.94
O=C([O-])CCCNC(=O)NCC1CC2=CC(Br)=CC=C2O1	REAL300013855459	0	37	-1.0	-47.95	334.74	5.01	-42.94
O=C([O-])CCCNC(=O)NCC1(C2=CC=CC=C2)CC(F)(F)C1	REAL300013855460	0	42	-1.0	-48.54	351.11	7.06	-41.48
COC1=C(F)C=CC=C1CC1CCCN1C(=O)NCCCC(=O)[O-]	REAL300013855461	0	46	-1.0	-47.85	370.41	7.95	-39.90
O=C([O-])CCCNC(=O)NCC1=C(Cl)C=NC=C1Cl	REAL300013855462	0	31	-1.0	-46.31	301.28	3.50	-42.81
O=C([O-])CCCNC(=O)N1CCC(CCN2CCCS2(=O)=O)CC1	REAL300013855463	0	50	-1.0	-57.01	397.53	4.48	-52.53
COC1=CC=C(C[C@@H]2CCCN2C(=O)NCCCC(=O)[O-])C=C1OC	REAL300013855464	0	50	-1.0	-52.42	394.29	7.49	-44.93
CN1C(=O)C[C@H](NC(=O)NCCCC(=O)[O-])[C@H]1C1=CC=C(Cl)C=C1	REAL300013855465	0	43	-1.0	-51.40	372.77	5.87	-45.53
O=C([O-])CCCNC(=O)N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300013855467	0	46	-1.0	-48.53	355.83	9.41	-39.12
CN1C(=O)C[C@H](NC(=O)NCCCC(=O)[O-])[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300013855468	0	43	-1.0	-51.67	380.79	6.06	-45.61
O=C([O-])CCCNC(=O)NC[C@@H]1CCCN1C1=CC=CC=C1	REAL300013855470	0	44	-1.0	-46.75	347.81	5.20	-41.55
O=C([O-])CCCNC(=O)N1CCCCC1CCC(F)(F)F	REAL300013855471	0	41	-1.0	-48.78	327.34	7.22	-41.56
O=C([O-])CCCNC(=O)N1CCCCC1CC1=CC(F)=CC=C1F	REAL300013855472	0	45	-1.0	-47.05	359.93	9.20	-37.85
O=C([O-])CCCNC(=O)NCC(CC1=CC=CC=C1)C1CC1	REAL300013855473	0	45	-1.0	-46.90	367.58	8.07	-38.83
CN(C)C1=NC=C2CN(C(=O)NCCCC(=O)[O-])CCC2=N1	REAL300013855474	0	42	-1.0	-50.39	340.26	7.42	-42.97
CC1=CC(C)=NN1C1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855475	0	45	-1.0	-52.84	358.07	6.82	-46.02
CC(NC(=O)NCCCC(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300013855476	0	44	-1.0	-46.59	367.18	5.69	-40.90
CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013855477	0	41	-1.0	-48.53	349.37	8.63	-39.90
O=C([O-])CCCNC(=O)N1CCN(C2=NC(C(F)(F)F)=CS2)CC1	REAL300013855478	0	40	-1.0	-48.57	352.39	4.97	-43.60
CC(NC(=O)NCCCC(=O)[O-])C1=CC=CC2=CC=CN=C21	REAL300013855479	0	40	-1.0	-52.97	334.31	5.90	-47.07
CC(C)(C)C1=CC=C(C2(CNC(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013855480	0	51	-1.0	-46.54	405.36	8.85	-37.69
CN(CCCCC1=CC=CC(Br)=C1)C(=O)NCCCC(=O)[O-]	REAL300013855481	0	44	-1.0	-47.88	381.23	9.80	-38.08
O=C([O-])CCCNC(=O)NCC1=C2CCCCC2=NNC1=O	REAL300013855482	0	41	-1.0	-52.45	335.09	2.26	-50.19
CC1=CC(Br)=C(F)C=C1[C@H](C)NC(=O)NCCCC(=O)[O-]	REAL300013855483	0	38	-1.0	-46.87	338.41	6.56	-40.31
COC(=O)C1CC(C2=CC=CC=C2)CN(C(=O)NCCCC(=O)[O-])C1	REAL300013855484	0	48	-1.0	-48.30	386.72	8.92	-39.38
COC(=O)C1=C(C)N=C(N2CCN(C(=O)NCCCC(=O)[O-])CC2)S1	REAL300013855485	0	46	-1.0	-49.44	384.30	5.26	-44.18
C=CCN(CC(=C)Br)C(=O)NCCCC(=O)[O-]	REAL300013855486	0	33	-1.0	-50.02	299.56	6.89	-43.13
CCCOC1=CC=C2NC=C(CCNC(=O)NCCCC(=O)[O-])C2=C1	REAL300013855487	0	49	-1.0	-53.81	404.12	6.30	-47.51
O=C([O-])CCCNC(=O)N1CCOCC1C1CCOCC1	REAL300013855488	0	44	-1.0	-45.65	322.88	3.16	-42.49
CCOC(=O)C1=CSC(C2CCCN(C(=O)NCCCC(=O)[O-])C2)=N1	REAL300013855489	0	47	-1.0	-53.70	397.09	6.98	-46.72
C=C(Br)CN(CC1=CC=C(Cl)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013855490	0	39	-1.0	-45.96	362.96	9.46	-36.50
O=C([O-])CCCNC(=O)NC(CCO)C1CCCCCC1	REAL300013855491	0	48	-1.0	-46.04	353.37	3.05	-42.99
O=C([O-])CCCNC(=O)N1C2CCC1CC(N1CCCCS1(=O)=O)C2	REAL300013855492	0	51	-1.0	-53.19	390.09	4.70	-48.49
O=C([O-])CCCNC(=O)NCC1=CC=CC2=C1NC(=O)CO2	REAL300013855493	0	38	-1.0	-51.55	325.43	1.75	-49.80
COC(=O)C1=CC=CC2=C1CN(C(=O)NCCCC(=O)[O-])CCO2	REAL300013855494	0	43	-1.0	-51.36	352.51	6.88	-44.48
COC(=O)C1=NN(C2CCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013855495	0	45	-1.0	-52.16	370.53	6.25	-45.91
O=C([O-])CCCNC(=O)N1CCC(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300013855496	0	45	-1.0	-55.25	383.72	5.29	-49.96
O=C([O-])CCCNC(=O)NCC1=CC2=CC=CC=C2NC1=O	REAL300013855497	0	38	-1.0	-55.10	328.17	3.51	-51.59
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)NCCCC(=O)[O-]	REAL300013855498	0	40	-1.0	-69.57	352.97	5.15	-64.42
COC1=CC(C2CCN(C(=O)NCCCC(=O)[O-])CC2)=CC(OC)=C1	REAL300013855499	0	50	-1.0	-50.65	391.21	6.94	-43.71
CC(NC(=O)NCCCC(=O)[O-])C1=NC=CC(C(F)(F)F)=N1	REAL300013855500	0	36	-1.0	-50.03	326.91	3.52	-46.51
O=C([O-])CCCNC(=O)N1CCC2(CC1)OC(=O)NC21CCC1	REAL300013855501	0	45	-1.0	-52.09	345.26	3.37	-48.72
N#CC1=CC=C(CC2CCCN(C(=O)NCCCC(=O)[O-])C2)C=C1	REAL300013855502	0	46	-1.0	-51.88	374.25	9.48	-42.40
CC1=NN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=N2)C=C1	REAL300013855503	0	41	-1.0	-50.69	355.31	5.53	-45.16
O=C([O-])CCCNC(=O)N(CCO)CC1=CC=C(F)C(Br)=C1	REAL300013855504	0	39	-1.0	-46.74	352.47	5.28	-41.46
O=C([O-])CCCNC(=O)NC1CCCN(C2=CC=C(Cl)C(Cl)=C2)C1=O	REAL300013855505	0	43	-1.0	-56.95	387.56	6.66	-50.29
C=CCC1(C(=O)OCC)CCCN(C(=O)NCCCC(=O)[O-])C1	REAL300013855506	0	48	-1.0	-47.51	374.14	8.32	-39.19
O=C([O-])CCCNC(=O)NCC1=CC=C(C2=NNC=C2)C=C1	REAL300013855508	0	39	-1.0	-51.53	336.69	4.50	-47.03
COC(=O)C1=CC2=C(CN(C(=O)NCCCC(=O)[O-])CC2)S1	REAL300013855509	0	39	-1.0	-49.41	340.18	6.89	-42.52
O=C([O-])CCCNC(=O)N1CCC(N2C=NC3=CC=CC=C3C2=O)C1	REAL300013855510	0	44	-1.0	-54.36	362.19	7.19	-47.17
CCOC(=O)COC1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013855511	0	48	-1.0	-53.93	390.82	5.75	-48.18
O=C([O-])CCCNC(=O)NCC1=CC2=CC=C(F)C=C2NC1=O	REAL300013855512	0	38	-1.0	-54.83	334.58	3.58	-51.25
CC(NC(=O)NCCCC(=O)[O-])C1=NN(C2=CC=CC=C2)C=C1	REAL300013855513	0	42	-1.0	-50.94	356.23	6.48	-44.46
CN(CC1OCCN(C)C1C1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013855514	0	51	-1.0	-48.87	397.30	6.20	-42.67
O=C([O-])CCCNC(=O)NCCC(N1CCOCC1)C(F)(F)F	REAL300013855515	0	44	-1.0	-48.46	353.22	1.62	-46.84
O=C([O-])CCCNC(=O)NCC1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL300013855516	0	35	-1.0	-51.04	338.27	5.92	-45.12
COCCN1CC(CNC(=O)NCCCC(=O)[O-])CC1=O	REAL300013855517	0	43	-1.0	-54.07	357.28	2.35	-51.72
C[C@@H](NC(=O)NCCCC(=O)[O-])C1=CC=C2OC(C)CC2=C1	REAL300013855518	0	43	-1.0	-48.47	352.23	5.93	-42.54
O=C([O-])CCCNC(=O)NCC1=CC=C(C(F)C(F)(F)F)C=C1	REAL300013855520	0	38	-1.0	-48.41	342.01	6.25	-42.16
O=C([O-])CCCNC(=O)NCC1=CC=CC2=CC=C(Cl)C=C21	REAL300013855521	0	38	-1.0	-48.81	337.35	7.06	-41.75
C[C@H](NC(=O)NCCCC(=O)[O-])C1=CC=C2OC(C)CC2=C1	REAL300013855522	0	43	-1.0	-48.33	352.37	5.93	-42.40
O=C([O-])CCCNC(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300013855524	0	42	-1.0	-53.08	357.67	6.44	-46.64
CC1=CC([C@H](C)NC(=O)NCCCC(=O)[O-])=CC=C1Br	REAL300013855525	0	38	-1.0	-46.36	334.81	6.51	-39.85
O=C([O-])CCCNC(=O)NCC1=CSC=C1C(F)(F)F	REAL300013855526	0	32	-1.0	-48.26	301.23	4.70	-43.56
O=C([O-])CCCNC(=O)N1CCCC2=C(C=C(Br)S2)C1	REAL300013855527	0	36	-1.0	-48.57	323.15	7.66	-40.91
CC1=CC(C)=C2OCC[C@H](NC(=O)NCCCC(=O)[O-])C2=C1	REAL300013855528	0	43	-1.0	-46.83	349.02	6.08	-40.75
O=C([O-])CCCNC(=O)N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300013855529	0	36	-1.0	-51.20	315.26	5.83	-45.37
CC(C)C1=CC=C2CN(C(=O)NCCCC(=O)[O-])CCC2=C1	REAL300013855530	0	45	-1.0	-46.92	353.81	8.95	-37.97
CC(C)(C)C1=CC=C2CN(C(=O)NCCCC(=O)[O-])CCC2=C1	REAL300013855531	0	48	-1.0	-46.83	369.65	9.39	-37.44
CC1=CC(C)=C2OCC[C@@H](NC(=O)NCCCC(=O)[O-])C2=C1	REAL300013855532	0	43	-1.0	-46.89	349.03	6.09	-40.80
O=C([O-])CCCNC(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300013855533	0	43	-1.0	-47.83	346.27	8.25	-39.58
O=C([O-])CCCNC(=O)N1CCC2(CCS(=O)(=O)C2)C1	REAL300013855534	0	39	-1.0	-56.06	319.50	2.23	-53.83
CN1CCN(C2=CC=C(CCNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013855535	1	52	-1.0	-48.80	408.53	3.94	-44.86
CN1C=C(N2CCC[C@@H]2CNC(=O)NCCCC(=O)[O-])C=N1	REAL300013855536	0	44	-1.0	-50.19	350.35	2.87	-47.32
C=CCC1(C(=O)OCC)CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855537	0	48	-1.0	-49.70	372.24	7.84	-41.86
COC(=O)C1CN(C(=O)NCCCC(=O)[O-])CC2=C1C=CC=C2C(F)(F)F	REAL300013855538	0	45	-1.0	-47.81	375.04	8.20	-39.61
CN1C=NC=C1[C@@H]1CN(C(=O)NCCCC(=O)[O-])C[C@H]1CO	REAL300013855539	0	43	-1.0	-52.00	349.23	3.84	-48.16
CNC(=O)C1=CN(CC2CCCN(C(=O)NCCCC(=O)[O-])C2)N=N1	REAL300013855540	0	48	-1.0	-59.06	388.21	3.27	-55.79
CC1=CC=CC(N2CCC(NC(=O)NCCCC(=O)[O-])C2)=C1	REAL300013855541	0	44	-1.0	-46.74	354.30	5.06	-41.68
CS(=O)(=O)C1=CC=C(CCNC(=O)NCCCC(=O)[O-])C=C1	REAL300013855542	0	41	-1.0	-57.23	360.00	2.76	-54.47
O=C([O-])CCCNC(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300013855543	0	46	-1.0	-47.11	356.40	5.98	-41.13
O=C([O-])CCCNC(=O)NCC1(SC2=CC=C(Br)C=C2)CC1	REAL300013855544	0	40	-1.0	-47.13	363.70	7.68	-39.45
CC(NC(=O)NCCCC(=O)[O-])C1=CC(F)=CC=C1N(C)C	REAL300013855545	0	43	-1.0	-47.51	353.88	5.33	-42.18
COC1=CC=C2CC(C)N(C(=O)NCCCC(=O)[O-])CC2=C1	REAL300013855546	0	43	-1.0	-48.19	337.46	6.93	-41.26
O=C([O-])CCCNC(=O)NCC1=NC(=O)C2=CC=CC=C2N1	REAL300013855548	0	37	-1.0	-60.01	321.71	2.71	-57.30
CC1=C2OC(CNC(=O)NCCCC(=O)[O-])=CC2=CC(Br)=C1	REAL300013855549	0	38	-1.0	-47.07	348.40	6.24	-40.83
O=C([O-])CCCNC(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300013855550	0	36	-1.0	-45.99	324.16	7.98	-38.01
O=C([O-])CCCNC(=O)N1CCN2C(=NC3=C2CCCC3)C1	REAL300013855551	0	43	-1.0	-50.86	337.27	7.17	-43.69
O=C([O-])CCCNC(=O)NCC1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300013855552	0	38	-1.0	-50.71	358.27	2.57	-48.14
C=CCC1(C(=O)OCC)CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013855553	0	45	-1.0	-49.13	365.31	7.20	-41.93
CN(CC1=CC2=CC=NC=C2C=C1)C(=O)NCCCC(=O)[O-]	REAL300013855554	0	40	-1.0	-50.27	335.04	7.33	-42.94
CC1=NN(C2=CC=CC=C2)C(C)=C1CN(C)C(=O)NCCCC(=O)[O-]	REAL300013855555	0	48	-1.0	-54.09	384.72	8.92	-45.17
CC1=CC=C(C)C2=C1OCC[C@@H]2NC(=O)NCCCC(=O)[O-]	REAL300013855556	0	43	-1.0	-46.82	340.71	6.36	-40.46
O=C([O-])CCCNC(=O)NCC1CCCC1N1CCCS1(=O)=O	REAL300013855557	0	47	-1.0	-60.06	381.78	2.18	-57.88
O=C([O-])CCCNC(=O)NC(C1=CC(Cl)=CC(Cl)=C1)C1CCCCC1	REAL300013855558	0	48	-1.0	-45.70	403.59	9.93	-35.77
O=C([O-])CCCNC(=O)NCC1(O)CCOC2=CC=CC=C21	REAL300013855559	0	41	-1.0	-48.51	334.83	1.70	-46.81
CC1=CC=C(C)C2=C1OCC[C@H]2NC(=O)NCCCC(=O)[O-]	REAL300013855560	0	43	-1.0	-46.75	341.50	6.60	-40.15
O=C([O-])CCCNC(=O)N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300013855561	1	48	-1.0	-48.68	361.43	6.52	-42.16
O=C([O-])CCCNC(=O)N1CCCC12CCS(=O)(=O)CC2	REAL300013855562	0	42	-1.0	-53.70	318.22	2.82	-50.88
COC1=CC=C2CC=C(CCNC(=O)NCCCC(=O)[O-])C2=C1	REAL300013855563	0	44	-1.0	-52.22	366.54	6.36	-45.86
O=C([O-])CCCNC(=O)N1CCCC2(CN(CC3=CC=CC=C3)CCO2)C1	REAL300013855564	0	55	-1.0	-49.97	416.72	7.27	-42.70
CCOC(=O)C1=CC2=C(CN(C(=O)NCCCC(=O)[O-])CC2)S1	REAL300013855565	0	42	-1.0	-49.22	362.05	7.82	-41.40
C[C@@H](NC(=O)NCCCC(=O)[O-])C1=CSC2=CC=CC=C12	REAL300013855566	0	38	-1.0	-47.82	331.21	6.72	-41.10
COC1=CC(CNC(=O)NCCCC(=O)[O-])=CC(Cl)=C1OC	REAL300013855567	0	40	-1.0	-48.15	356.52	4.29	-43.86
CC(C)COC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013855568	0	45	-1.0	-46.93	370.77	6.18	-40.75
O=C([O-])CCCNC(=O)NCC1(CO)COCC2CCCCN21	REAL300013855569	0	49	-1.0	-49.76	361.00	-0.32	-50.08
CC1=CC=CC(N2CCC(NC(=O)NCCCC(=O)[O-])C2=O)=C1	REAL300013855570	0	43	-1.0	-60.19	354.50	5.58	-54.61
COC1=CC=CC=C1[C@H]1[C@@H](O)CCN1C(=O)NCCCC(=O)[O-]	REAL300013855571	0	44	-1.0	-52.87	354.77	4.08	-48.79
C[C@H](NC(=O)NCCCC(=O)[O-])C1=CSC2=CC=CC=C12	REAL300013855572	0	38	-1.0	-47.82	331.55	6.75	-41.07
O=C([O-])CCCNC(=O)NCC1(CO)CC12CCOCC2	REAL300013855574	0	44	-1.0	-49.64	347.62	1.07	-48.57
COC1=CC2=C(C=C1C)CN(C(=O)NCCCC(=O)[O-])CC2	REAL300013855575	0	43	-1.0	-48.33	343.16	7.07	-41.26
CCCCOC1=CC=C(C(C)NC(=O)NCCCC(=O)[O-])C=C1	REAL300013855576	0	48	-1.0	-47.34	389.66	7.12	-40.22
CN1C=CN=C1C(NC(=O)NCCCC(=O)[O-])C(F)(F)F	REAL300013855577	0	35	-1.0	-49.90	312.88	3.76	-46.14
O=C([O-])CCCNC(=O)N1CCC2(CC1)C(F)(F)C21CC1	REAL300013855578	0	40	-1.0	-46.82	330.00	7.82	-39.00
O=C([O-])CCCNC(=O)NC1(CC2=CC=C(F)C=C2F)CC1	REAL300013855579	0	39	-1.0	-45.26	336.84	6.57	-38.69
COC(=O)C12CCC1(C(=O)OC)CN(C(=O)NCCCC(=O)[O-])C2	REAL300013855581	0	45	-1.0	-53.74	372.03	6.21	-47.53
O=C([O-])CCCNC(=O)N1CCCCCCNS(=O)(=O)CC1	REAL300013855582	0	46	-1.0	-52.37	360.56	2.82	-49.55
COC1=CC=C(CCNC(=O)NCCCC(=O)[O-])C=C1Br	REAL300013855583	0	39	-1.0	-50.28	349.24	5.20	-45.08
COC(=O)C1CCC(NC(=O)NCCCC(=O)[O-])C2=CC=CC=C21	REAL300013855584	0	45	-1.0	-51.25	359.43	6.50	-44.75
COC(=O)CC(CNC(=O)NCCCC(=O)[O-])C(F)(F)F	REAL300013855585	0	37	-1.0	-50.27	324.35	4.09	-46.18
CC(C)NS(=O)(=O)C1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013855586	0	46	-1.0	-53.48	386.70	3.33	-50.15
O=C([O-])CCCNC(=O)N1CCCC1CC1=CC=CC(F)=C1F	REAL300013855587	0	42	-1.0	-47.81	345.92	8.29	-39.52
CC(C)N1C=C(CNC(=O)NCCCC(=O)[O-])C(=O)NC1=O	REAL300013855588	0	41	-1.0	-56.66	341.92	1.90	-54.76
O=C([O-])CCCNC(=O)NC1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300013855589	0	46	-1.0	-54.24	375.24	5.77	-48.47
CSC1=CC=CC=C1CC(C)NC(=O)NCCCC(=O)[O-]	REAL300013855590	0	42	-1.0	-49.94	352.77	6.74	-43.20
O=C([O-])CCCNC(=O)NCC1CCCN1C1=CC=CC=C1	REAL300013855591	0	44	-1.0	-46.53	342.02	5.57	-40.96
O=C([O-])CCCNC(=O)NC(C1=CC=C(F)C(C(F)(F)F)=C1)C1CC1	REAL300013855592	0	42	-1.0	-47.58	361.47	8.07	-39.51
COC1=CC=C2C(CCNC(=O)NCCCC(=O)[O-])=CNC2=C1	REAL300013855593	0	43	-1.0	-52.17	360.65	4.58	-47.59
O=C([O-])CCCNC(=O)NCC1(SC2=CC=C(Br)C=C2)CC1	REAL300013855594	0	40	-1.0	-47.13	363.70	7.68	-39.45
COCC(NC(=O)NCCCC(=O)[O-])C(=O)N1CCOCC1	REAL300013855595	0	44	-1.0	-50.30	357.10	0.40	-49.90
O=C([O-])CCCNC(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300013855596	0	42	-1.0	-50.54	354.31	7.34	-43.20
CC(NC(=O)NCCCC(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300013855597	0	41	-1.0	-46.32	347.34	6.97	-39.35
O=C([O-])CCCNC(=O)NCC1CCC2(CCCOC2)O1	REAL300013855598	0	44	-1.0	-50.41	348.24	2.91	-47.50
CC(C)C(NC(=O)NCCCC(=O)[O-])C1=CC=C(Br)C=C1	REAL300013855599	0	41	-1.0	-45.74	347.53	6.74	-39.00
O=C([O-])CCCNC(=O)NCC1CC(=O)N(C2=CC=CC=C2)C1	REAL300013855600	0	43	-1.0	-53.76	354.44	5.53	-48.23
COCC1(CCNC(=O)NCCCC(=O)[O-])CCOCC1	REAL300013855601	0	46	-1.0	-48.47	352.05	2.33	-46.14
CS(=O)(=O)C[C@@H]1C[C@H](F)CN1C(=O)NCCCC(=O)[O-]	REAL300013855602	0	38	-1.0	-52.51	325.60	2.35	-50.16
O=C([O-])CCCNC(=O)NCCN1C=C(I)C=N1	REAL300013855603	0	32	-1.0	-51.32	308.54	3.53	-47.79
O=C([O-])CCCNC(=O)N1CCCN(CC2=CC=CC=C2)CC(F)(F)C1	REAL300013855604	0	50	-1.0	-49.41	374.95	7.45	-41.96
CCC(NC(=O)NCCCC(=O)[O-])C1=CC=CC=C1C1=CC=CC=C1	REAL300013855605	0	48	-1.0	-47.97	382.99	9.11	-38.86
O=C([O-])CCCNC(=O)NCCNC(=O)CC1=CC=C(F)C=C1	REAL300013855606	0	42	-1.0	-53.44	365.42	3.66	-49.78
CCN(CCCOCC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013855607	0	48	-1.0	-50.71	390.24	8.55	-42.16
O=C([O-])CCCNC(=O)N1CCCCCCC1C1=CC=CC=C1	REAL300013855608	0	48	-1.0	-48.41	348.80	9.87	-38.54
O=C([O-])CCCNC(=O)N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300013855609	0	45	-1.0	-51.55	351.83	8.41	-43.14
O=C([O-])CCCNC(=O)NCCC(C(F)F)N1CCOCC1	REAL300013855610	0	44	-1.0	-49.22	347.80	1.37	-47.85
C[C@@H]1CC2=C(Cl)C=CC=C2[C@@H]1NC(=O)NCCCC(=O)[O-]	REAL300013855611	0	39	-1.0	-47.00	331.41	6.89	-40.11
CC(C)C(NC(=O)NCCCC(=O)[O-])C1=CC=C(Br)C=C1	REAL300013855612	0	41	-1.0	-45.74	347.53	6.74	-39.00
COC(=O)CC1CC2(CCC2)CN1C(=O)NCCCC(=O)[O-]	REAL300013855613	0	45	-1.0	-47.85	358.65	7.15	-40.70
CN1N=C(CNC(=O)NCCCC(=O)[O-])C2=CC=CC=C2C1=O	REAL300013855614	0	40	-1.0	-52.34	342.45	3.91	-48.43
O=C([O-])CCCNC(=O)NCC1=NOC(C2=CC3=CC=CC=C3C=C2)=C1	REAL300013855615	0	44	-1.0	-49.82	378.81	7.79	-42.03
COC(=O)C1=CC(CNC(=O)NCCCC(=O)[O-])=C(Cl)S1	REAL300013855616	0	35	-1.0	-48.67	339.60	4.70	-43.97
CCCCCN(CC1=C(C)N(C)N=C1C)C(=O)NCCCC(=O)[O-]	REAL300013855617	0	53	-1.0	-52.48	411.44	8.74	-43.74
CC(C)[C@@H]1C[C@H](CNC(=O)NCCCC(=O)[O-])C2=CC=CC=C21	REAL300013855618	0	48	-1.0	-47.36	371.18	8.33	-39.03
CC1=CC(Cl)=CN2C=C(CNC(=O)NCCCC(=O)[O-])N=C12	REAL300013855619	0	38	-1.0	-50.18	342.95	6.04	-44.14
CN(CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)NCCCC(=O)[O-]	REAL300013855620	0	38	-1.0	-48.65	339.60	7.91	-40.74
O=C([O-])CCCNC(=O)N1CCCC1C1=CC(Cl)=CC(Cl)=C1	REAL300013855621	0	39	-1.0	-47.67	352.12	9.10	-38.57
CC(C)N1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013855622	0	50	-1.0	-48.44	401.01	6.11	-42.33
CN(CC1=CC=C(C2=CSC=C2)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013855623	0	42	-1.0	-49.84	360.02	9.28	-40.56
CC(C)N1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013855624	0	50	-1.0	-47.74	410.90	6.56	-41.18
CC(C)(C)N1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013855625	0	53	-1.0	-47.37	425.82	7.04	-40.33
N#CC1=CC2=C(CCN(C(=O)NCCCC(=O)[O-])C2)NC1=O	REAL300013855626	1	37	-1.0	-57.85	318.60	4.28	-53.57
CC1CCCC1N(CCC1=CC=CC=N1)C(=O)NCCCC(=O)[O-]	REAL300013855627	0	50	-1.0	-52.98	385.45	9.86	-43.12
COC(=O)C1=CC2=C(C=C1F)CCN(C(=O)NCCCC(=O)[O-])C2	REAL300013855628	0	42	-1.0	-51.62	352.79	7.69	-43.93
CC(C)NC(=O)CN1C=C(NC(=O)NCCCC(=O)[O-])C=N1	REAL300013855630	0	42	-1.0	-62.29	355.05	2.35	-59.94
O=C([O-])CCCNC(=O)NC1CC2=CC=C(Br)C=C2NC1=O	REAL300013855631	0	37	-1.0	-53.78	336.00	3.62	-50.16
CC(CC(=O)NC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013855632	0	42	-1.0	-58.29	352.18	4.66	-53.63
CC1CCC2=C(C1)SC(CNC(=O)NCCCC(=O)[O-])=N2	REAL300013855633	0	41	-1.0	-47.52	347.13	4.80	-42.72
COC1(C(F)(F)CNC(=O)NCCCC(=O)[O-])CCCCC1	REAL300013855634	0	45	-1.0	-45.84	349.34	4.51	-41.33
COC(=O)C1CCN(C(=O)NCCCC(=O)[O-])CC1OC	REAL300013855635	0	42	-1.0	-52.34	339.21	5.23	-47.11
CC(CC1=CNC2=CC(F)=C(F)C=C12)NC(=O)NCCCC(=O)[O-]	REAL300013855636	0	42	-1.0	-54.35	359.38	6.45	-47.90
CN(CC1=CC=CC(OC(F)F)=C1)C(=O)NCCCC(=O)[O-]	REAL300013855637	0	39	-1.0	-50.69	333.46	6.44	-44.25
O=C([O-])CCCNC(=O)N(CC1=CC=CC=C1Cl)C1CC1	REAL300013855638	0	39	-1.0	-51.17	323.60	9.58	-41.59
CC1CC2=C(Cl)C=CC=C2C1NC(=O)NCCCC(=O)[O-]	REAL300013855639	0	39	-1.0	-46.79	333.35	7.16	-39.63
CC1=CC=CC(N2CCCC(NC(=O)NCCCC(=O)[O-])C2=O)=C1	REAL300013855640	0	46	-1.0	-58.36	377.06	6.36	-52.00
O=C([O-])CCCNC(=O)N(CC1=CC=CC=C1F)[C@H]1CC[C@H](O)CC1	REAL300013855641	0	49	-1.0	-47.31	382.06	7.43	-39.88
CC(CC1=CC=C(Cl)S1)NC(=O)NCCCC(=O)[O-]	REAL300013855642	0	35	-1.0	-48.92	326.50	5.94	-42.98
O=C([O-])CCCNC(=O)N[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1	REAL300013855643	0	39	-1.0	-47.50	342.88	7.05	-40.45
CC1(C)[C@H](OC2=CC=CC=C2)C[C@@H]1NC(=O)NCCCC(=O)[O-]	REAL300013855644	0	46	-1.0	-48.37	366.36	7.12	-41.25
COC(=O)C1=C2CN(C(=O)NCCCC(=O)[O-])CCN2C=C1	REAL300013855645	0	40	-1.0	-52.63	334.23	6.40	-46.23
O=C([O-])CCCNC(=O)NCC1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300013855647	0	38	-1.0	-48.26	349.50	6.06	-42.20
CC1CN(C(=O)NCCCC(=O)[O-])CC2=C(Cl)C=CC=C21	REAL300013855648	0	39	-1.0	-47.52	324.70	7.90	-39.62
CC1OC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2C1C	REAL300013855649	0	43	-1.0	-47.77	351.22	5.57	-42.20
CN1N=C(C(F)(F)F)C(Br)=C1CNC(=O)NCCCC(=O)[O-]	REAL300013855650	0	35	-1.0	-47.40	337.76	3.48	-43.92
O=C([O-])CCCNC(=O)NCC(F)C1=CC=C(Br)C=C1	REAL300013855651	0	35	-1.0	-47.87	325.40	5.91	-41.96
O=C([O-])CCCNC(=O)NC1CCN(C2=NC3=CC=CC=C3N2)CC1	REAL300013855652	0	47	-1.0	-51.57	379.55	6.00	-45.57
CCCC1C2=CC=CC=C2CCN1C(=O)NCCCC(=O)[O-]	REAL300013855653	0	45	-1.0	-45.58	339.46	8.52	-37.06
O=C([O-])CCCNC(=O)NCC1=CC=C(C2=CSC=C2)N=C1	REAL300013855654	0	38	-1.0	-48.85	340.74	5.23	-43.62
CCN1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013855655	0	47	-1.0	-47.77	399.22	6.41	-41.36
COC(=O)COCC1CCCN(C(=O)NCCCC(=O)[O-])C1	REAL300013855656	0	45	-1.0	-58.45	365.17	6.24	-52.21
CC(F)(F)C1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013855657	0	38	-1.0	-47.91	331.02	5.98	-41.93
CN1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013855658	0	44	-1.0	-48.47	369.65	5.12	-43.35
CCOC(=O)C12CC(C)(C1)OC21CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855659	0	53	-1.0	-52.05	406.80	7.26	-44.79
COC(=O)C1(C2CCN(C(=O)NCCCC(=O)[O-])CC2)CCOCC1	REAL300013855660	0	52	-1.0	-52.35	377.92	6.38	-45.97
CC1(C)OC2=CC(Br)=C(CNC(=O)NCCCC(=O)[O-])C=C2O1	REAL300013855661	0	41	-1.0	-47.78	364.18	5.35	-42.43
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)NCCCC(=O)[O-]	REAL300013855662	0	56	-1.0	-48.27	424.75	10.84	-37.43
CN1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013855663	0	44	-1.0	-47.74	379.54	5.56	-42.18
CN1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013855664	0	44	-1.0	-46.79	373.62	5.55	-41.24
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855665	0	45	-1.0	-52.51	361.13	7.66	-44.85
O=C([O-])CCCNC(=O)N1CCC2(C1)CCC(F)(F)CC2	REAL300013855666	0	42	-1.0	-48.87	326.95	6.81	-42.06
CC1(C)C(CNC(=O)NCCCC(=O)[O-])CCS1(=O)=O	REAL300013855667	0	41	-1.0	-55.13	334.07	1.26	-53.87
O=C([O-])CCCNC(=O)NCCN1C=C(C2CCOC2)C=N1	REAL300013855668	0	43	-1.0	-53.10	357.32	3.13	-49.97
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCCCC(=O)[O-])CCN2C2CC2)=C1	REAL300013855669	1	52	-1.0	-48.67	416.48	5.80	-42.87
COC(=O)C1(C2CCOCC2)CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013855670	0	49	-1.0	-49.59	373.68	5.49	-44.10
O=C([O-])CCCNC(=O)NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300013855671	0	41	-1.0	-50.49	349.53	0.75	-49.74
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)NCCCC(=O)[O-]	REAL300013855672	0	50	-1.0	-52.16	398.83	9.63	-42.53
CCC(NC(=O)CNC(=O)NCCCC(=O)[O-])C1=CC=CC=C1	REAL300013855673	0	45	-1.0	-48.67	368.13	4.42	-44.25
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)NCCCC(=O)[O-])N=N1	REAL300013855674	0	43	-1.0	-53.32	367.12	-2.41	-55.73
COC1=CC(CNC(=O)NCCCC(=O)[O-])=CC=C1Cl	REAL300013855675	0	36	-1.0	-47.34	323.35	4.31	-43.03
CC(CNC(=O)N1CCC2=CC(C(C)(C)C)=CC=C2C1)C(=O)[O-]	REAL300013893001	0	48	-1.0	-50.18	365.94	9.31	-40.87
CC1=CC(C)=C2OCC[C@@H](NC(=O)NCC(C)C(=O)[O-])C2=C1	REAL300013893002	0	43	-1.0	-49.82	346.07	6.05	-43.77
CC(CNC(=O)N1CCC2(CC1)C(F)(F)C21CCC1)C(=O)[O-]	REAL300013893003	0	43	-1.0	-51.73	343.32	8.21	-43.52
CC(CNC(=O)N1CCC2(CCS(=O)(=O)C2)C1)C(=O)[O-]	REAL300013893004	0	39	-1.0	-59.37	315.67	2.17	-57.20
CC(CNC(=O)NCCC1=CC=C(N2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300013893005	1	52	-1.0	-52.51	405.58	3.90	-48.61
CC(CNC(=O)NC[C@H]1CCCN1C1=CN(C)N=C1)C(=O)[O-]	REAL300013893006	0	44	-1.0	-52.57	347.40	2.82	-49.75
C=CCC1(C(=O)OCC)CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013893007	0	48	-1.0	-53.88	369.29	7.81	-46.07
COC(=O)C1CN(C(=O)NCC(C)C(=O)[O-])CC2=C1C=CC=C2C(F)(F)F	REAL300013893008	0	45	-1.0	-48.97	371.22	8.14	-40.83
CC(CNC(=O)N1C[C@@H](CO)[C@H](C2=CN=CN2C)C1)C(=O)[O-]	REAL300013893009	0	43	-1.0	-54.45	345.40	3.79	-50.66
CNC(=O)C1=CN(CC2CCCN(C(=O)NCC(C)C(=O)[O-])C2)N=N1	REAL300013893010	0	48	-1.0	-64.19	386.07	3.24	-60.95
CC1=CC=CC(N2CCC(NC(=O)NCC(C)C(=O)[O-])C2)=C1	REAL300013893011	0	44	-1.0	-49.87	351.36	5.02	-44.85
CC(CNC(=O)NCCC1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300013893012	0	41	-1.0	-60.98	356.17	2.71	-58.27
CC(CNC(=O)NCC1(C2=CC=CC=C2)CCCCO1)C(=O)[O-]	REAL300013893013	0	46	-1.0	-49.96	353.45	5.94	-44.02
CC(CNC(=O)NCC1(SC2=CC=C(Br)C=C2)CC1)C(=O)[O-]	REAL300013893014	0	40	-1.0	-50.44	360.91	7.61	-42.83
CC(CNC(=O)NC(C)C1=CC(F)=CC=C1N(C)C)C(=O)[O-]	REAL300013893015	0	43	-1.0	-50.30	350.05	5.28	-45.02
COC1=CC=C2CC(C)N(C(=O)NCC(C)C(=O)[O-])CC2=C1	REAL300013893016	0	43	-1.0	-51.26	334.62	6.86	-44.40
CC(CNC(=O)NCC1=NC(=O)C2=CC=CC=C2N1)C(=O)[O-]	REAL300013893018	0	37	-1.0	-60.16	317.88	2.66	-57.50
CC1=C2OC(CNC(=O)NCC(C)C(=O)[O-])=CC2=CC(Br)=C1	REAL300013893019	0	38	-1.0	-49.35	344.57	6.19	-43.16
CC(CNC(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1)C(=O)[O-]	REAL300013893020	0	36	-1.0	-49.29	320.33	7.92	-41.37
CC(CNC(=O)N1CCN2C(=NC3=C2CCCC3)C1)C(=O)[O-]	REAL300013893021	0	43	-1.0	-52.54	334.32	7.12	-45.42
CC(CNC(=O)NCC1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300013893022	0	38	-1.0	-53.30	354.45	2.51	-50.79
C=CCC1(C(=O)OCC)CCN(C(=O)NCC(C)C(=O)[O-])C1	REAL300013893023	0	45	-1.0	-54.42	358.91	7.23	-47.19
CC(CNC(=O)N(C)CC1=CC2=CC=NC=C2C=C1)C(=O)[O-]	REAL300013893024	0	40	-1.0	-54.46	332.09	7.29	-47.17
CC1=NN(C2=CC=CC=C2)C(C)=C1CN(C)C(=O)NCC(C)C(=O)[O-]	REAL300013893025	0	48	-1.0	-58.60	382.58	8.91	-49.69
CC1=CC=C(C)C2=C1OCC[C@@H]2NC(=O)NCC(C)C(=O)[O-]	REAL300013893026	0	43	-1.0	-49.43	336.89	6.32	-43.11
CC(CNC(=O)NCC1CCCC1N1CCCS1(=O)=O)C(=O)[O-]	REAL300013893027	0	47	-1.0	-64.67	377.95	2.12	-62.55
CC(CNC(=O)NC(C1=CC(Cl)=CC(Cl)=C1)C1CCCCC1)C(=O)[O-]	REAL300013893028	0	48	-1.0	-48.51	394.11	9.18	-39.33
CC(CNC(=O)NCC1(O)CCOC2=CC=CC=C21)C(=O)[O-]	REAL300013893029	0	41	-1.0	-51.22	331.00	1.64	-49.58
CC1=CC=C(C)C2=C1OCC[C@H]2NC(=O)NCC(C)C(=O)[O-]	REAL300013893030	0	43	-1.0	-49.31	337.15	6.46	-42.85
CC(CNC(=O)N1CCC2CCN(CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013893031	1	48	-1.0	-52.95	357.60	6.46	-46.49
CC(CNC(=O)N1CCCC12CCS(=O)(=O)CC2)C(=O)[O-]	REAL300013893032	0	42	-1.0	-59.43	316.08	2.80	-56.63
COC1=CC=C2CC=C(CCNC(=O)NCC(C)C(=O)[O-])C2=C1	REAL300013893033	0	44	-1.0	-55.87	363.58	6.32	-49.55
CC(CNC(=O)N1CCCC2(CN(CC3=CC=CC=C3)CCO2)C1)C(=O)[O-]	REAL300013893034	0	55	-1.0	-54.30	413.77	7.23	-47.07
CCOC(=O)C1=CC2=C(CN(C(=O)NCC(C)C(=O)[O-])CC2)S1	REAL300013893035	0	42	-1.0	-52.47	358.22	7.75	-44.72
CC(CNC(=O)N[C@H](C)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300013893036	0	38	-1.0	-51.08	328.25	6.68	-44.40
COC1=CC(CNC(=O)NCC(C)C(=O)[O-])=CC(Cl)=C1OC	REAL300013893037	0	40	-1.0	-50.66	352.69	4.24	-46.42
CC(C)COC1=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C1	REAL300013893038	0	45	-1.0	-49.68	366.95	6.12	-43.56
CC(CNC(=O)NCC1(CO)COCC2CCCCN21)C(=O)[O-]	REAL300013893039	0	49	-1.0	-53.77	358.05	-0.36	-54.13
CC1=CC=CC(N2CCC(NC(=O)NCC(C)C(=O)[O-])C2=O)=C1	REAL300013893040	0	43	-1.0	-65.55	352.36	5.57	-59.98
COC1=CC=CC=C1[C@H]1[C@@H](O)CCN1C(=O)NCC(C)C(=O)[O-]	REAL300013893041	0	44	-1.0	-57.02	352.69	4.07	-52.95
CC(CNC(=O)N[C@@H](C)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300013893042	0	38	-1.0	-50.62	327.72	6.70	-43.92
CC(CNC(=O)NCC1(CO)CC12CCOCC2)C(=O)[O-]	REAL300013893044	0	44	-1.0	-53.46	345.48	1.06	-52.40
COC1=CC2=C(C=C1C)CN(C(=O)NCC(C)C(=O)[O-])CC2	REAL300013893045	0	43	-1.0	-51.46	339.33	7.01	-44.45
CCCCOC1=CC=C(C(C)NC(=O)NCC(C)C(=O)[O-])C=C1	REAL300013893046	0	48	-1.0	-50.84	386.71	7.08	-43.76
CC(CNC(=O)NC(C1=NC=CN1C)C(F)(F)F)C(=O)[O-]	REAL300013893047	0	35	-1.0	-51.52	309.92	3.72	-47.80
CC(CNC(=O)N1CCC2(CC1)C(F)(F)C21CC1)C(=O)[O-]	REAL300013893048	0	40	-1.0	-50.19	327.86	7.81	-42.38
CC(CNC(=O)NC1(CC2=CC=C(F)C=C2F)CC1)C(=O)[O-]	REAL300013893049	0	39	-1.0	-48.10	333.89	6.53	-41.57
COC(=O)C12CCC1(C(=O)OC)CN(C(=O)NCC(C)C(=O)[O-])C2	REAL300013893051	0	45	-1.0	-54.19	369.43	6.29	-47.90
CC(CNC(=O)N1CCCCCCNS(=O)(=O)CC1)C(=O)[O-]	REAL300013893052	0	46	-1.0	-55.65	357.60	2.78	-52.87
COC1=CC=C(CCNC(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300013893053	0	39	-1.0	-54.15	346.29	5.16	-48.99
COC(=O)C1CCC(NC(=O)NCC(C)C(=O)[O-])C2=CC=CC=C21	REAL300013893054	0	45	-1.0	-55.48	356.48	6.46	-49.02
COC(=O)CC(CNC(=O)NCC(C)C(=O)[O-])C(F)(F)F	REAL300013893055	0	37	-1.0	-53.37	321.35	4.05	-49.32
CC(C)NS(=O)(=O)C1=CC=CC=C1CNC(=O)NCC(C)C(=O)[O-]	REAL300013893056	0	46	-1.0	-55.58	383.75	3.29	-52.29
CC(CNC(=O)N1CCCC1CC1=CC=CC(F)=C1F)C(=O)[O-]	REAL300013893057	0	42	-1.0	-50.93	342.96	8.25	-42.68
CC(C)N1C=C(CNC(=O)NCC(C)C(=O)[O-])C(=O)NC1=O	REAL300013893058	0	41	-1.0	-59.93	338.97	1.86	-58.07
CC(CNC(=O)NC1CCN(C(=O)C2=CC=CC=C2F)CC1)C(=O)[O-]	REAL300013893059	0	46	-1.0	-56.68	373.10	5.76	-50.92
CSC1=CC=CC=C1CC(C)NC(=O)NCC(C)C(=O)[O-]	REAL300013893060	0	42	-1.0	-53.96	350.63	6.73	-47.23
CC(CNC(=O)NCC1CCCN1C1=CC=CC=C1)C(=O)[O-]	REAL300013893061	0	44	-1.0	-50.50	339.07	5.53	-44.97
CC(CNC(=O)NC(C1=CC=C(F)C(C(F)(F)F)=C1)C1CC1)C(=O)[O-]	REAL300013893062	0	42	-1.0	-51.13	357.64	8.02	-43.11
COC1=CC=C2C(CCNC(=O)NCC(C)C(=O)[O-])=CNC2=C1	REAL300013893063	0	43	-1.0	-55.99	357.69	4.54	-51.45
CC(CNC(=O)NCC1(SC2=CC=C(Br)C=C2)CC1)C(=O)[O-]	REAL300013893064	0	40	-1.0	-50.44	360.91	7.61	-42.83
COCC(NC(=O)NCC(C)C(=O)[O-])C(=O)N1CCOCC1	REAL300013893065	0	44	-1.0	-51.59	354.96	0.39	-51.20
CC(CNC(=O)NC1CCCC2=CC=C(Br)C=C2C1)C(=O)[O-]	REAL300013893066	0	42	-1.0	-55.33	351.36	7.30	-48.03
CC(CNC(=O)NC(C)C(C)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300013893067	0	41	-1.0	-49.32	344.39	6.94	-42.38
CC(CNC(=O)NCC1CCC2(CCCOC2)O1)C(=O)[O-]	REAL300013893068	0	44	-1.0	-53.99	346.10	2.91	-51.08
CC(C)C(NC(=O)NCC(C)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300013893069	0	41	-1.0	-48.69	343.70	6.69	-42.00
CC(CNC(=O)NCC1CC(=O)N(C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013893070	0	43	-1.0	-56.69	351.49	5.49	-51.20
COCC1(CCNC(=O)NCC(C)C(=O)[O-])CCOCC1	REAL300013893071	0	46	-1.0	-52.20	349.91	2.32	-49.88
CC(CNC(=O)N1C[C@@H](F)C[C@H]1CS(C)(=O)=O)C(=O)[O-]	REAL300013893072	0	38	-1.0	-54.74	321.73	2.30	-52.44
CC(CNC(=O)NCCN1C=C(I)C=N1)C(=O)[O-]	REAL300013893073	0	32	-1.0	-55.03	304.71	3.48	-51.55
CC(CNC(=O)N1CCCN(CC2=CC=CC=C2)CC(F)(F)C1)C(=O)[O-]	REAL300013893074	0	50	-1.0	-54.29	372.81	7.44	-46.85
CCC(NC(=O)NCC(C)C(=O)[O-])C1=CC=CC=C1C1=CC=CC=C1	REAL300013893075	0	48	-1.0	-51.77	380.04	9.07	-42.70
CC(CNC(=O)NCCNC(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013893076	0	42	-1.0	-55.90	362.47	3.62	-52.28
CCN(CCCOCC1=CC=CC=C1)C(=O)NCC(C)C(=O)[O-]	REAL300013893077	0	48	-1.0	-54.72	386.42	8.50	-46.22
CC(CNC(=O)N1CCCCCCC1C1=CC=CC=C1)C(=O)[O-]	REAL300013893078	0	48	-1.0	-53.02	345.84	9.83	-43.19
CC(CNC(=O)N1CCC2(CC3=CC=CC=C3C2=O)CC1)C(=O)[O-]	REAL300013893079	0	45	-1.0	-54.78	349.71	8.39	-46.39
CC(CNC(=O)NCCC(C(F)F)N1CCOCC1)C(=O)[O-]	REAL300013893080	0	44	-1.0	-52.59	345.66	1.37	-51.22
CC(CNC(=O)N[C@H]1C2=CC=CC(Cl)=C2C[C@H]1C)C(=O)[O-]	REAL300013893081	0	39	-1.0	-50.08	329.96	7.12	-42.96
CC(C)C(NC(=O)NCC(C)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300013893082	0	41	-1.0	-48.69	343.70	6.69	-42.00
COC(=O)CC1CC2(CCC2)CN1C(=O)NCC(C)C(=O)[O-]	REAL300013893083	0	45	-1.0	-51.51	356.51	7.14	-44.37
CC(CNC(=O)NCC1=NN(C)C(=O)C2=CC=CC=C21)C(=O)[O-]	REAL300013893084	0	40	-1.0	-53.74	338.63	3.86	-49.88
CC(CNC(=O)NCC1=NOC(C2=CC3=CC=CC=C3C=C2)=C1)C(=O)[O-]	REAL300013893085	0	44	-1.0	-52.25	374.98	7.74	-44.51
COC(=O)C1=CC(CNC(=O)NCC(C)C(=O)[O-])=C(Cl)S1	REAL300013893086	0	35	-1.0	-51.73	336.65	4.66	-47.07
CCCCCN(CC1=C(C)N(C)N=C1C)C(=O)NCC(C)C(=O)[O-]	REAL300013893087	0	53	-1.0	-56.51	408.49	8.70	-47.81
CC(C)[C@@H]1C[C@H](CNC(=O)NCC(C)C(=O)[O-])C2=CC=CC=C21	REAL300013893088	0	48	-1.0	-50.72	368.22	8.29	-42.43
CC1=CC(Cl)=CN2C=C(CNC(=O)NCC(C)C(=O)[O-])N=C12	REAL300013893089	0	38	-1.0	-53.20	340.00	6.00	-47.20
CC(CNC(=O)N(C)CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300013893090	0	38	-1.0	-52.94	336.64	7.88	-45.06
CC(CNC(=O)N1CCCC1C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300013893091	0	39	-1.0	-51.62	349.17	9.05	-42.57
CC(C)N1CC[C@@H](NC(=O)NCC(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013893092	0	50	-1.0	-51.72	401.70	6.29	-45.43
CC(CNC(=O)N(C)CC1=CC=C(C2=CSC=C2)C=C1)C(=O)[O-]	REAL300013893093	0	42	-1.0	-54.36	357.07	9.24	-45.12
CC(C)N1CC[C@@H](NC(=O)NCC(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013893094	0	50	-1.0	-50.68	410.71	6.72	-43.96
CC(CNC(=O)N[C@@H]1CCN(C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013893095	0	53	-1.0	-50.78	422.86	6.98	-43.80
CC(CNC(=O)N1CCC2=C(C=C(C#N)C(=O)N2)C1)C(=O)[O-]	REAL300013893096	1	37	-1.0	-60.38	314.77	4.21	-56.17
CC(CNC(=O)N(CCC1=CC=CC=N1)C1CCCC1C)C(=O)[O-]	REAL300013893097	0	50	-1.0	-56.25	372.36	9.26	-46.99
COC(=O)C1=CC2=C(C=C1F)CCN(C(=O)NCC(C)C(=O)[O-])C2	REAL300013893098	0	42	-1.0	-54.71	348.96	7.63	-47.08
CC(C)NC(=O)CN1C=C(NC(=O)NCC(C)C(=O)[O-])C=N1	REAL300013893100	0	42	-1.0	-67.07	352.10	2.31	-64.76
CC(CNC(=O)NC1CC2=CC=C(Br)C=C2NC1=O)C(=O)[O-]	REAL300013893101	0	37	-1.0	-58.07	332.17	3.57	-54.50
CC(CC(=O)NC1=CC=CC=C1)NC(=O)NCC(C)C(=O)[O-]	REAL300013893102	0	42	-1.0	-63.03	348.36	4.60	-58.43
CC(CNC(=O)NCC1=NC2=C(CC(C)CC2)S1)C(=O)[O-]	REAL300013893103	0	41	-1.0	-50.24	344.18	4.76	-45.48
COC1(C(F)(F)CNC(=O)NCC(C)C(=O)[O-])CCCCC1	REAL300013893104	0	45	-1.0	-48.13	345.51	4.46	-43.67
COC(=O)C1CCN(C(=O)NCC(C)C(=O)[O-])CC1OC	REAL300013893105	0	42	-1.0	-56.90	337.07	5.22	-51.68
CC(CC1=CNC2=CC(F)=C(F)C=C12)NC(=O)NCC(C)C(=O)[O-]	REAL300013893106	0	42	-1.0	-56.18	355.55	6.39	-49.79
CC(CNC(=O)N(C)CC1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300013893107	0	39	-1.0	-54.51	329.63	6.38	-48.13
CC(CNC(=O)N(CC1=CC=CC=C1Cl)C1CC1)C(=O)[O-]	REAL300013893108	0	39	-1.0	-55.19	320.43	9.53	-45.66
CC(CNC(=O)NC1C2=CC=CC(Cl)=C2CC1C)C(=O)[O-]	REAL300013893109	0	39	-1.0	-50.30	330.41	7.12	-43.18
CC1=CC=CC(N2CCCC(NC(=O)NCC(C)C(=O)[O-])C2=O)=C1	REAL300013893110	0	46	-1.0	-63.01	374.10	6.32	-56.69
CC(CNC(=O)N(CC1=CC=CC=C1F)[C@H]1CC[C@H](O)CC1)C(=O)[O-]	REAL300013893111	0	49	-1.0	-50.63	380.72	6.81	-43.82
CC(CC1=CC=C(Cl)S1)NC(=O)NCC(C)C(=O)[O-]	REAL300013893112	0	35	-1.0	-53.29	324.36	5.93	-47.36
CC(CNC(=O)N[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1)C(=O)[O-]	REAL300013893113	0	39	-1.0	-50.96	340.69	7.04	-43.92
CC(CNC(=O)N[C@H]1C[C@@H](OC2=CC=CC=C2)C1(C)C)C(=O)[O-]	REAL300013893114	0	46	-1.0	-50.86	363.36	7.11	-43.75
COC(=O)C1=C2CN(C(=O)NCC(C)C(=O)[O-])CCN2C=C1	REAL300013893115	0	40	-1.0	-53.53	331.27	6.36	-47.17
CC(CNC(=O)NCC1=NOC(C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300013893117	0	38	-1.0	-50.71	346.55	6.02	-44.69
CC(CNC(=O)N1CC2=C(Cl)C=CC=C2C(C)C1)C(=O)[O-]	REAL300013893118	0	39	-1.0	-49.97	321.75	7.85	-42.12
CC(CNC(=O)NCC1=CC=C2OC(C)C(C)C2=C1)C(=O)[O-]	REAL300013893119	0	43	-1.0	-50.73	348.26	5.53	-45.20
CC(CNC(=O)NCC1=C(Br)C(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300013893120	0	35	-1.0	-49.55	334.81	3.44	-46.11
CC(CNC(=O)NCC(F)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300013893121	0	35	-1.0	-50.96	322.40	5.87	-45.09
CC(CNC(=O)NC1CCN(C2=NC3=CC=CC=C3N2)CC1)C(=O)[O-]	REAL300013893122	0	47	-1.0	-55.20	376.60	5.96	-49.24
CCCC1C2=CC=CC=C2CCN1C(=O)NCC(C)C(=O)[O-]	REAL300013893123	0	45	-1.0	-48.76	335.63	8.47	-40.29
CC(CNC(=O)NCC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300013893124	0	38	-1.0	-51.24	336.92	5.18	-46.06
CCN1CC[C@@H](NC(=O)NCC(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013893125	0	47	-1.0	-52.85	396.15	6.18	-46.67
COC(=O)COCC1CCCN(C(=O)NCC(C)C(=O)[O-])C1	REAL300013893126	0	45	-1.0	-63.99	363.03	6.23	-57.76
CC(CNC(=O)NCC1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300013893127	0	38	-1.0	-50.67	328.07	5.94	-44.73
CC(CNC(=O)N[C@@H]1CCN(C)[C@H]1C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300013893128	0	44	-1.0	-51.49	366.61	5.13	-46.36
CCOC(=O)C12CC(C)(C1)OC21CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013893129	0	53	-1.0	-56.16	403.84	7.22	-48.94
COC(=O)C1(C2CCN(C(=O)NCC(C)C(=O)[O-])CC2)CCOCC1	REAL300013893130	0	52	-1.0	-56.96	375.00	6.33	-50.63
CC(CNC(=O)NCC1=CC2=C(C=C1Br)OC(C)(C)O2)C(=O)[O-]	REAL300013893131	0	41	-1.0	-50.21	360.36	5.30	-44.91
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)NCC(C)C(=O)[O-]	REAL300013893132	0	56	-1.0	-52.40	420.92	10.78	-41.62
CC(CNC(=O)N[C@@H]1CCN(C)[C@H]1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013893133	0	44	-1.0	-50.75	376.49	5.57	-45.18
CC(CNC(=O)N[C@@H]1CCN(C)[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013893134	0	44	-1.0	-50.44	370.67	5.49	-44.95
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013893135	0	45	-1.0	-56.85	358.18	7.62	-49.23
CC(CNC(=O)N1CCC2(C1)CCC(F)(F)CC2)C(=O)[O-]	REAL300013893136	0	42	-1.0	-52.13	325.15	6.79	-45.34
CC(CNC(=O)NCC1CCS(=O)(=O)C1(C)C)C(=O)[O-]	REAL300013893137	0	41	-1.0	-59.32	331.93	1.25	-58.07
CC(CNC(=O)NCCN1C=C(C2CCOC2)C=N1)C(=O)[O-]	REAL300013893138	0	43	-1.0	-56.84	353.49	3.07	-53.77
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCC(C)C(=O)[O-])CCN2C2CC2)=C1	REAL300013893139	1	52	-1.0	-52.21	410.15	5.55	-46.66
COC(=O)C1(C2CCOCC2)CCN(C(=O)NCC(C)C(=O)[O-])C1	REAL300013893140	0	49	-1.0	-54.11	371.36	5.47	-48.64
CC(CNC(=O)NCC1(C2=CC=CC=C2)NC(=O)NC1=O)C(=O)[O-]	REAL300013893141	0	41	-1.0	-52.16	345.70	0.70	-51.46
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)NCC(C)C(=O)[O-]	REAL300013893142	0	50	-1.0	-57.01	395.00	9.58	-47.43
CCC(NC(=O)CNC(=O)NCC(C)C(=O)[O-])C1=CC=CC=C1	REAL300013893143	0	45	-1.0	-50.51	365.17	4.38	-46.13
CC(CNC(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1)C(=O)[O-]	REAL300013893144	0	43	-1.0	-56.70	364.80	-2.36	-59.06
COC1=CC(CNC(=O)NCC(C)C(=O)[O-])=CC=C1Cl	REAL300013893145	0	36	-1.0	-49.77	319.52	4.24	-45.53