CC(C)C[N@@H+]1CCCC(C(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C1	REAL300005000052	0	50	0.0	-56.65	363.64	8.39	-48.26
CC(C)C[N@H+]1CCCC(C(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C1	REAL300005000052	1	50	0.0	-56.83	373.17	8.39	-48.44
CC[N@@H+]1CCCC(C(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C1	REAL300005000053	0	44	0.0	-81.08	325.13	6.87	-74.21
CC[N@H+]1CCCC(C(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C1	REAL300005000053	1	44	0.0	-78.47	322.16	6.74	-71.73
C[NH+](C)CC1=CC=C(C(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)O1	REAL300005000059	1	41	0.0	-56.97	333.74	6.60	-50.37
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C1	REAL300005000065	0	50	0.0	-95.96	342.44	6.60	-89.36
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C1	REAL300005000065	1	50	0.0	-87.26	344.14	6.84	-80.42
O=C([O-])C1=C2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CCN2N=C1	REAL300005000068	0	43	0.0	-79.18	332.56	7.24	-71.94
O=C([O-])C1=C2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CCN2N=C1	REAL300005000068	1	43	0.0	-78.80	317.96	7.58	-71.22
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN=CC(C(F)(F)F)=C2)C1	REAL300005000151	0	42	0.0	-51.86	350.69	6.62	-45.24
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN=CC(C(F)(F)F)=C2)C1	REAL300005000151	1	42	0.0	-49.10	344.48	6.60	-42.50
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCC2(CCCCCC2)O1	REAL300005000280	0	57	0.0	-46.69	403.66	8.98	-37.71
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CCC2(CCCCCC2)O1	REAL300005000280	1	57	0.0	-46.84	396.81	8.90	-37.94
COC1=CC=CC2=C1OCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300005000409	0	49	0.0	-51.03	371.01	8.49	-42.54
COC1=CC=CC2=C1OCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300005000409	1	49	0.0	-51.80	370.94	8.52	-43.28
O=C([O-])C1=NN2CCCC(NC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C2=C1	REAL300005001631	0	54	0.0	-87.89	416.10	9.54	-78.35
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C2=C1	REAL300005002302	0	51	0.0	-81.04	400.19	9.07	-71.97
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C2=C1	REAL300005002302	1	51	0.0	-81.19	392.66	8.46	-72.73
O=C([O-])C1=NN2CCCC(NC(=O)C3CC[NH+](C4CC4)CC3)C2=C1	REAL300005003227	0	48	0.0	-80.92	369.24	7.43	-73.49
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@@H+]3C3CC3)C2=C1	REAL300005003254	0	45	0.0	-74.53	352.43	6.86	-67.67
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@H+]3C3CC3)C2=C1	REAL300005003254	1	45	0.0	-75.46	347.97	6.74	-68.72
CC1=[NH+]C=C2CCC(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)CN21	REAL300005003260	1	46	0.0	-77.08	362.82	7.11	-69.97
O=C([O-])C1=NN2CCCC(NC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C2=C1	REAL300005003261	0	54	0.0	-74.19	417.69	9.49	-64.70
C[N@@H+]1CCCCC1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003343	0	44	0.0	-70.65	334.73	5.88	-64.77
C[N@H+]1CCCCC1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003343	1	44	0.0	-79.89	336.87	5.95	-73.94
CC(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)N1CC[NH+](C)CC1	REAL300005003344	1	49	0.0	-82.12	368.18	4.18	-77.94
C[N@@H+]1CCCC[C@H]1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003388	0	44	0.0	-70.69	334.75	5.87	-64.82
C[N@H+]1CCCC[C@H]1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003388	1	44	0.0	-74.35	327.59	5.78	-68.57
CC1(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005003446	0	57	0.0	-70.92	423.85	9.76	-61.16
C[NH+]1CCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005003480	0	44	0.0	-88.88	339.71	6.02	-82.86
O=C([O-])C1=NN2CCCC(NC(=O)C3=CN4C=[NH+]C=C4C=C3)C2=C1	REAL300005003506	0	39	0.0	-83.36	325.30	7.86	-75.50
C[NH+](C)CC1(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CCCCC1	REAL300005003540	0	53	0.0	-99.89	376.68	7.94	-91.95
C[N@H+](CCC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1CCCCC1	REAL300005003545	0	53	0.0	-81.43	393.78	7.96	-73.47
C[N@@H+](CCC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1CCCCC1	REAL300005003545	1	53	0.0	-82.69	393.77	7.96	-74.73
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)C2=C1	REAL300005003563	1	51	0.0	-74.04	399.24	8.66	-65.38
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)C2=C1	REAL300005003563	1	51	0.0	-85.06	399.12	8.53	-76.53
C[NH+]1CCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005003617	0	44	0.0	-88.88	339.71	6.02	-82.86
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C2=C1	REAL300005003622	0	47	0.0	-94.77	384.34	6.99	-87.78
O=C([O-])C1=NN2CCCC(NC(=O)C3CCCC[N@@H+]3C3CCCC3)C2=C1	REAL300005003646	0	54	0.0	-76.67	384.02	8.15	-68.52
O=C([O-])C1=NN2CCCC(NC(=O)C3CCCC[N@H+]3C3CCCC3)C2=C1	REAL300005003646	1	54	0.0	-76.12	392.47	8.17	-67.95
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC([NH+]4CCOCC4)CC3)C2=C1	REAL300005003647	0	55	0.0	-60.41	396.24	6.36	-54.05
CC1=[NH+]C=CN1CCCC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003680	1	45	0.0	-80.50	366.32	7.28	-73.22
O=C([O-])C1=NN2CCCC(NC(=O)CCCC[NH+]3CCOCC3)C2=C1	REAL300005003681	1	51	0.0	-86.06	393.63	5.96	-80.10
CC[N@H+](CC1=CC=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=C1)C(C)C	REAL300005003684	0	56	0.0	-91.03	418.26	9.30	-81.73
CC[N@@H+](CC1=CC=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=C1)C(C)C	REAL300005003684	1	56	0.0	-91.42	413.59	9.11	-82.31
O=C([O-])C1=NN2CCCC(NC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005003733	0	51	0.0	-80.85	399.52	8.84	-72.01
O=C([O-])C1=NN2CCCC(NC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005003733	1	51	0.0	-81.04	400.37	8.88	-72.16
O=C([O-])C1=NN2CCCC(NC(=O)C3CC[NH+](C4CCSC4)CC3)C2=C1	REAL300005003734	0	52	0.0	-93.12	394.98	8.00	-85.12
C[NH+]1CCN(C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C2=CC=CC=C2)CC1	REAL300005003761	1	56	0.0	-90.61	431.69	7.59	-83.02
O=C([O-])C1=NN2CCCC(NC(=O)CC3([NH+]4CCOCC4)CCCC3)C2=C1	REAL300005003762	0	55	0.0	-82.43	391.67	6.19	-76.24
CCC(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[NH+](CC)CC	REAL300005003766	0	49	0.0	-71.57	357.95	6.38	-65.19
CC(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[N@H+](C)CC1=CC=CC=C1	REAL300005003768	0	50	0.0	-82.50	390.21	8.35	-74.15
CC(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[N@@H+](C)CC1=CC=CC=C1	REAL300005003768	1	50	0.0	-82.82	390.14	8.34	-74.48
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)C2=C1	REAL300005003780	0	57	0.0	-79.15	432.74	10.64	-68.51
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)C2=C1	REAL300005003780	1	57	0.0	-79.11	432.32	10.60	-68.51
C[NH+](C)CC1=CC=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=N1	REAL300005003802	0	46	0.0	-88.84	369.07	6.36	-82.48
CCC[NH+](CCC)CCCC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003811	0	55	0.0	-81.55	417.92	8.58	-72.97
O=C([O-])C1=NN2CCCC(NC(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)C2=C1	REAL300005003812	1	55	0.0	-71.99	414.49	5.81	-66.18
CC[N@H+](C)C(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1=CC=CC=C1	REAL300005003813	0	50	0.0	-70.30	385.69	8.59	-61.71
CC[N@@H+](C)C(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1=CC=CC=C1	REAL300005003813	1	50	0.0	-69.16	385.82	8.45	-60.71
C[N@@H+]1CCOC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005003815	1	42	0.0	-88.56	332.72	4.80	-83.76
C[N@H+]1CCOC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005003815	1	42	0.0	-67.23	322.61	4.67	-62.56
CC[NH+](CC)C(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1=CC=CC=C1	REAL300005003818	0	53	0.0	-84.61	394.74	8.87	-75.74
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003827	1	45	0.0	-74.14	356.21	6.95	-67.19
C[NH+](C)C(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1=CC=C(Cl)C=C1	REAL300005003832	1	47	0.0	-73.76	384.80	8.31	-65.45
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C2=C1	REAL300005003845	0	51	0.0	-91.59	398.30	9.02	-82.57
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C2=C1	REAL300005003853	0	54	0.0	-85.41	414.85	9.70	-75.71
C[NH+](C)CC1(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005003860	0	44	0.0	-75.22	344.01	6.33	-68.89
C[NH+](C)CCCCC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003870	0	46	0.0	-85.00	360.73	6.49	-78.51
CC(C)C(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[NH+](C)C	REAL300005003879	0	46	0.0	-70.96	340.18	6.13	-64.83
O=C([O-])C1=NN2CCCC(NC(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)C2=C1	REAL300005003881	1	55	0.0	-91.25	422.92	8.82	-82.43
O=C([O-])C1=NN2CCCC(NC(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)C2=C1	REAL300005003881	1	55	0.0	-87.35	429.67	8.87	-78.48
O=C([O-])C1=NN2CCCC(NC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C2=C1	REAL300005003893	0	54	0.0	-81.36	413.79	9.51	-71.85
O=C([O-])C1=NN2CCCC(NC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C2=C1	REAL300005003893	1	54	0.0	-81.16	413.95	9.51	-71.65
CC1=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=NN1C1=CC=[NH+]C=C1	REAL300005003895	1	45	0.0	-90.98	369.03	6.20	-84.78
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C2=C1	REAL300005003903	0	54	0.0	-92.13	415.05	9.73	-82.40
O=C([O-])C1=NN2CCCC(NC(=O)C3=NOC(C[NH+]4CCCC4)=C3)C2=C1	REAL300005003917	1	47	0.0	-86.74	378.75	6.47	-80.27
C[NH+](C)CCC1=CC=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300005003918	0	50	0.0	-97.44	395.76	8.69	-88.75
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003930	1	43	0.0	-75.14	344.22	5.43	-69.71
O=C([O-])C1=NN2CCCC(NC(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)C2=C1	REAL300005003932	1	52	0.0	-96.26	402.34	8.20	-88.06
O=C([O-])C1=NN2CCCC(NC(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)C2=C1	REAL300005003932	1	52	0.0	-96.46	401.95	8.17	-88.29
C[N@H+](CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1CCC1	REAL300005003963	0	44	0.0	-76.98	341.40	6.34	-70.64
C[N@@H+](CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1CCC1	REAL300005003963	1	44	0.0	-75.49	341.24	6.34	-69.15
C[N@H+](CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)CC(C)(C)C	REAL300005003995	0	49	0.0	-78.78	364.76	6.85	-71.93
C[N@@H+](CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)CC(C)(C)C	REAL300005003995	1	49	0.0	-77.20	364.82	6.90	-70.30
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003997	0	50	0.0	-81.01	394.26	8.79	-72.22
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003997	1	50	0.0	-81.54	394.26	8.80	-72.74
COCCOCC[N@H+](C)CCC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003998	0	54	0.0	-80.66	423.52	4.98	-75.68
COCCOCC[N@@H+](C)CCC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005003998	1	54	0.0	-84.81	423.54	4.99	-79.82
C[N@@H+]1CCCC(O)(CC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005004003	0	48	0.0	-79.84	355.55	4.46	-75.38
C[N@H+]1CCCC(O)(CC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005004003	1	48	0.0	-79.77	365.24	4.66	-75.11
CCCCCC[N@H+](C)CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004027	0	52	0.0	-79.52	398.85	8.11	-71.41
CCCCCC[N@@H+](C)CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004027	1	52	0.0	-79.21	398.90	8.12	-71.09
O=C([O-])C1=NN2CCCC(NC(=O)C34CCC[NH+]3CCC4)C2=C1	REAL300005004037	0	45	0.0	-72.20	337.86	6.17	-66.03
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC4=C[NH+]=CN4C=C3)C2=C1	REAL300005004045	1	39	0.0	-89.52	325.57	7.88	-81.64
C[N@H+](CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1CCSC1	REAL300005004061	0	45	0.0	-81.74	354.77	6.61	-75.13
C[N@@H+](CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1CCSC1	REAL300005004061	1	45	0.0	-81.66	354.45	6.58	-75.08
CC(C)[NH+]1CCN(CCC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004078	0	55	0.0	-85.13	410.39	5.53	-79.60
CC(C)N1CC[NH+](CCC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004078	1	55	0.0	-81.00	409.88	5.51	-75.49
CC(C)[NH+]1CCN(CCCC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004079	0	58	0.0	-79.67	426.88	5.97	-73.70
CC(C)N1CC[NH+](CCCC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004079	1	58	0.0	-82.01	428.48	6.14	-75.87
O=C([O-])C1=NN2CCCC(NC(=O)C3CCCC4CCC[N@@H+]43)C2=C1	REAL300005004080	0	48	0.0	-73.53	359.40	7.17	-66.36
O=C([O-])C1=NN2CCCC(NC(=O)C3CCCC4CCC[N@H+]43)C2=C1	REAL300005004080	1	48	0.0	-74.08	351.30	6.91	-67.17
C[NH+](C)CCN1C=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=N1	REAL300005004082	0	47	0.0	-89.95	379.45	5.86	-84.09
O=C([O-])C1=NN2CCCC(NC(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)C2=C1	REAL300005004091	0	56	0.0	-84.85	427.94	7.70	-77.15
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C2=C1	REAL300005004094	0	53	0.0	-83.85	411.44	7.79	-76.06
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C2=C1	REAL300005004094	1	53	0.0	-83.91	410.94	7.77	-76.14
CC(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005004099	1	51	0.0	-81.40	393.80	8.74	-72.66
CC(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[N@H+]1CCC2=CC=CC=C2C1	REAL300005004099	1	51	0.0	-77.00	390.58	8.87	-68.13
CCCC(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[NH+](C)C	REAL300005004120	0	46	0.0	-82.47	350.99	6.73	-75.74
O=C([O-])C1=NN2CCCC(NC(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005004122	0	54	0.0	-85.86	418.24	9.49	-76.37
O=C([O-])C1=NN2CCCC(NC(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005004122	1	54	0.0	-86.80	420.80	9.62	-77.18
C[NH+](C)CCN1C=CC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)=N1	REAL300005004137	0	47	0.0	-97.47	379.60	5.86	-91.61
C[NH+](C)CCN1N=CC=C1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004138	0	47	0.0	-79.29	374.04	5.84	-73.45
C[C@@H]1[C@H](C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC[N@@H+]1C	REAL300005004144	0	44	0.0	-88.28	331.92	5.35	-82.93
C[C@@H]1[C@H](C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC[N@H+]1C	REAL300005004144	1	44	0.0	-87.04	338.18	5.62	-81.42
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004146	1	48	0.0	-77.26	381.32	7.58	-69.68
CC[C@@H]1[C@@H](C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC[N@@H+]1C	REAL300005004149	0	47	0.0	-85.98	351.55	6.01	-79.97
CC[C@@H]1[C@@H](C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC[N@H+]1C	REAL300005004149	1	47	0.0	-83.90	355.97	6.64	-77.26
CC1C[N@H+](C)CC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)O1	REAL300005004161	1	45	0.0	-94.55	346.40	5.34	-89.21
CC1C[N@@H+](C)CC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)O1	REAL300005004161	1	45	0.0	-99.44	346.27	5.05	-94.39
CC1=[NH+]C=CN1CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004171	1	39	0.0	-77.00	323.53	5.94	-71.06
CC(C[NH+]1CCOCC1)C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004173	0	48	0.0	-81.47	366.47	5.09	-76.38
O=C([O-])C1=NN2CCCC(NC(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)C2=C1	REAL300005004174	0	55	0.0	-84.89	425.69	7.11	-77.78
CC1CC[NH+](CC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004189	0	47	0.0	-78.98	357.95	6.85	-72.13
CC[N@@H+]1CCOC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005004203	1	45	0.0	-95.67	350.08	5.40	-90.27
CC[N@H+]1CCOC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005004203	1	45	0.0	-86.60	350.11	5.39	-81.21
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004242	1	54	0.0	-89.75	417.31	8.04	-81.71
O=C([O-])C1=NN2CCCC(NC(=O)C3CC[N@@H+](C4CCCCC4)C3)C2=C1	REAL300005004243	0	54	0.0	-75.90	400.87	8.32	-67.58
O=C([O-])C1=NN2CCCC(NC(=O)C3CC[N@H+](C4CCCCC4)C3)C2=C1	REAL300005004243	1	54	0.0	-75.93	400.88	8.32	-67.61
C[N@@H+]1CCCC1CCC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004250	0	47	0.0	-82.05	356.66	6.36	-75.69
C[N@H+]1CCCC1CCC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004250	1	47	0.0	-81.86	357.27	6.39	-75.47
O=C([O-])C1=NN2CCCC(NC(=O)C34CCC[NH+](CCC3)C4)C2=C1	REAL300005004263	0	48	0.0	-81.97	352.74	6.59	-75.38
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004265	1	45	0.0	-78.89	343.56	2.45	-76.44
C[N@H+]1CC(O)CC1(C)C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004265	1	45	0.0	-92.31	343.12	2.66	-89.65
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC4CCCC[N@@H+]43)C2=C1	REAL300005004266	0	48	0.0	-73.20	362.80	7.30	-65.90
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC4CCCC[N@H+]43)C2=C1	REAL300005004266	1	48	0.0	-73.13	363.00	7.31	-65.82
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004273	0	51	0.0	-80.27	378.96	5.61	-74.66
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=N1	REAL300005004278	0	54	0.0	-102.98	402.43	6.51	-96.47
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=N1	REAL300005004278	1	54	0.0	-101.75	411.33	6.72	-95.03
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)=C2)CC1	REAL300005004282	0	56	0.0	-88.38	431.98	7.28	-81.10
C[NH+]1CCN(CC2=CC=C(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)C=C2)CC1	REAL300005004283	0	56	0.0	-93.89	431.89	7.28	-86.61
CN1CC[NH+](CC2=CC=C(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)C=C2)CC1	REAL300005004283	1	56	0.0	-94.99	431.35	7.16	-87.83
CC(C)[NH+]1CCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004292	0	50	0.0	-80.46	370.38	6.98	-73.48
O=C([O-])C1=NN2CCCC(NC(=O)C34CC[NH+](CC3)C4)C2=C1	REAL300005004374	0	42	0.0	-84.17	326.46	4.85	-79.32
O=C([O-])C1=NN2CCCC(NC(=O)C34CC[N@H+](C3)CCC4)C2=C1	REAL300005004384	0	45	0.0	-84.85	337.24	5.57	-79.28
O=C([O-])C1=NN2CCCC(NC(=O)C34CC[N@@H+](C3)CCC4)C2=C1	REAL300005004384	1	45	0.0	-81.10	336.89	5.56	-75.54
CC1CCC(C)[NH+]1CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004433	0	47	0.0	-75.03	352.45	6.25	-68.78
C[NH+](C)CC1=CC=CC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300005004434	0	47	0.0	-83.31	373.33	7.86	-75.45
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005004435	0	54	0.0	-79.34	416.46	9.56	-69.78
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005004435	1	54	0.0	-77.75	409.78	9.73	-68.02
C[NH+](C)C1(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CCC1	REAL300005004475	0	44	0.0	-73.88	328.65	5.86	-68.02
C#CC[NH+]1CCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004509	0	46	0.0	-91.07	364.89	7.23	-83.84
CCC[N@@H+]1CCCCC1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004511	0	50	0.0	-74.68	367.18	7.19	-67.49
CCC[N@H+]1CCCCC1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004511	1	50	0.0	-74.73	366.77	7.17	-67.56
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004512	0	47	0.0	-60.51	364.47	8.14	-52.37
CC[NH+]1CCN(CCC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004514	0	52	0.0	-86.56	393.72	5.02	-81.54
CCN1CC[NH+](CCC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004514	1	52	0.0	-80.94	393.23	4.98	-75.96
CC(C)C(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[NH+]1CCCCC1	REAL300005004516	0	53	0.0	-72.92	383.52	8.44	-64.48
C[NH+](C)C(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1=CC=CC=C1	REAL300005004517	1	47	0.0	-82.55	369.79	7.85	-74.70
O=C([O-])C1=NN2CCCC(NC(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005004521	0	52	0.0	-78.54	407.97	5.79	-72.75
O=C([O-])C1=NN2CCCC(NC(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005004521	1	52	0.0	-80.04	409.01	5.85	-74.19
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004527	1	48	0.0	-75.99	380.55	7.51	-68.48
C[NH+](C)CC1=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)OC2=CC=CC=C21	REAL300005004528	0	50	0.0	-67.06	400.23	8.20	-58.86
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@@H+]3C3CCCC3)C2=C1	REAL300005004533	0	51	0.0	-76.69	378.17	7.93	-68.76
O=C([O-])C1=NN2CCCC(NC(=O)C3CCC[N@H+]3C3CCCC3)C2=C1	REAL300005004533	1	51	0.0	-82.44	373.26	7.76	-74.68
CC[N@H+](CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1CC1	REAL300005004535	0	44	0.0	-75.45	343.96	6.40	-69.05
CC[N@@H+](CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)C1CC1	REAL300005004535	1	44	0.0	-76.26	341.50	6.33	-69.93
CC(C)C(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[NH+]1CC(C)OC(C)C1	REAL300005004564	1	57	0.0	-77.62	413.90	7.13	-70.49
CC(C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[NH+]1CCCCCC1	REAL300005004565	0	50	0.0	-74.00	362.17	6.67	-67.33
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)=CC=C1N2	REAL300005004607	1	52	0.0	-92.11	408.08	8.29	-83.82
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)=CC=C1N2	REAL300005004607	1	52	0.0	-91.37	408.27	8.26	-83.11
CC[NH+](CC)CC1=CC=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)O1	REAL300005004658	0	50	0.0	-91.01	395.10	7.55	-83.46
O=C([O-])C1=NN2CCCC(NC(=O)CCCC[NH+]3CCCC3)C2=C1	REAL300005004659	0	50	0.0	-83.51	386.46	7.68	-75.83
CC1=CC=C(N2CCC(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)CC2)[NH+]=C1	REAL300005004661	1	53	0.0	-84.16	409.17	7.43	-76.73
C[N@H+](CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)CC1=CC=CC=C1	REAL300005004662	1	47	0.0	-82.87	371.78	7.95	-74.92
C[N@@H+](CC(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)CC1=CC=CC=C1	REAL300005004662	1	47	0.0	-81.95	371.83	7.95	-74.00
CC(C)[C@@H](C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12)[NH+](C)C	REAL300005004673	0	46	0.0	-82.94	339.73	6.46	-76.48
O=C([O-])C1=NN2CCCC(NC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2=C1	REAL300005004691	1	42	0.0	-90.45	354.23	5.80	-84.65
C[NH+](C)CC1=CC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)=NO1	REAL300005004721	1	43	0.0	-88.17	354.05	5.39	-82.78
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004725	0	54	0.0	-83.02	408.69	9.17	-73.85
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004725	1	54	0.0	-91.97	420.29	9.45	-82.52
CC(C)[N@@H+]1CCCC1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004741	0	47	0.0	-76.01	353.88	6.44	-69.57
CC(C)[N@H+]1CCCC1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005004741	1	47	0.0	-75.91	353.87	6.48	-69.43
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300005004749	0	55	0.0	-93.93	437.62	8.83	-85.10
C[NH+]1CCC(OCC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005004768	0	48	0.0	-91.42	375.30	6.43	-84.99
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C2=C1	REAL300005004773	0	51	0.0	-91.93	400.01	7.93	-84.00
CCC[N@@H+]1CCCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005004971	0	50	0.0	-75.28	372.44	7.57	-67.71
CCC[N@H+]1CCCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005004971	1	50	0.0	-70.46	368.92	7.45	-63.01
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005005004	0	50	0.0	-81.38	369.51	7.61	-73.77
CC(C)C[N@H+]1CCCC1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005005004	1	50	0.0	-77.26	378.44	7.52	-69.74
O=C([O-])C1=NN2CCCC(NC(=O)C[NH+]3CCC(CO)CC3)C2=C1	REAL300005005005	1	48	0.0	-79.67	368.78	3.54	-76.13
O=C([O-])C1=NN2CCCC(NC(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)C2=C1	REAL300005005113	0	55	0.0	-97.00	423.83	9.84	-87.16
O=C([O-])C1=NN2CCCC(NC(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)C2=C1	REAL300005005113	1	55	0.0	-84.11	426.22	9.80	-74.31
CC(C)[N@@H+]1CCCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005005247	0	50	0.0	-74.96	367.56	7.34	-67.62
CC(C)[N@H+]1CCCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005005247	1	50	0.0	-74.99	367.55	7.34	-67.65
C[N@@H+]1CC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C(C(F)(F)F)C1	REAL300005005248	0	44	0.0	-83.92	345.56	6.78	-77.14
C[N@H+]1CC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C(C(F)(F)F)C1	REAL300005005248	1	44	0.0	-97.50	352.36	5.85	-91.65
CC1=C(C)[NH+]=C(CCC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)N1	REAL300005005273	1	45	0.0	-75.75	365.66	5.65	-70.10
C[NH+](C)CCC1=CC=CC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300005005780	0	50	0.0	-89.41	395.78	8.69	-80.72
C[NH+](C)CCOC1=CC=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300005005787	0	51	0.0	-95.62	403.07	7.64	-87.98
O=C([O-])C1=NN2CCCC(NC(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)C2=C1	REAL300005005885	0	57	0.0	-83.20	435.04	10.31	-72.89
CC1CN(CC2=CC=C(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)C=C2)CCO1	REAL300005005887	0	55	0.0	-94.22	420.85	8.04	-86.18
CC1C[N@H+](CC2=CC=C(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)C=C2)CCO1	REAL300005005887	1	55	0.0	-94.57	420.43	8.01	-86.56
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)C=C2)CCO1	REAL300005005887	1	55	0.0	-94.57	420.43	8.01	-86.56
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005005932	0	44	0.0	-75.83	344.48	6.07	-69.76
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300005005936	0	50	0.0	-58.80	363.50	6.91	-51.89
CC1=[NH+]C=C2C=CC(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)=CN21	REAL300005005940	0	42	0.0	-80.13	346.72	7.64	-72.49
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005006007	0	53	0.0	-80.83	396.69	8.09	-72.74
CC(C)C[N@H+]1CCCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005006007	1	53	0.0	-71.87	386.39	8.13	-63.74
CC[N@@H+]1CCCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005006008	0	47	0.0	-74.93	350.91	6.82	-68.11
CC[N@H+]1CCCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005006008	1	47	0.0	-80.81	357.17	6.63	-74.18
C[N@@H+]1CCCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005006012	0	44	0.0	-82.83	339.91	5.99	-76.84
C[N@H+]1CCCC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005006012	1	44	0.0	-82.88	339.74	5.99	-76.89
C[NH+](C)CC1=CC=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)O1	REAL300005006014	1	44	0.0	-90.22	358.42	6.07	-84.15
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005006020	0	53	0.0	-84.96	377.71	7.06	-77.90
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300005006020	1	53	0.0	-85.03	377.48	7.04	-77.99
O=C([O-])C1=NN2CCCC(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)C2=C1	REAL300005006023	0	46	0.0	-83.98	352.12	6.96	-77.02
O=C([O-])C1=NN2CCCC(NC(=O)C34CC(C3)C[N@H+]4C3CC3)C2=C1	REAL300005006023	1	46	0.0	-75.11	345.35	7.25	-67.86
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CCS2	REAL300005007569	0	55	0.0	-72.98	420.20	10.93	-62.05
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CCS2	REAL300005007569	1	55	0.0	-69.74	422.55	11.01	-58.73
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[NH+](C3CC3)CC1)CCS2	REAL300005008351	0	52	0.0	-71.73	394.10	9.75	-61.98
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1C1CC1)CCS2	REAL300005008376	0	49	0.0	-68.29	378.28	9.31	-58.98
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1C1CC1)CCS2	REAL300005008376	1	49	0.0	-68.96	374.84	9.16	-59.80
CC1=[NH+]C=C2CCC(C(=O)NC3CCSC4(CC(C(=O)[O-])C4)C3)CN21	REAL300005008382	1	50	0.0	-68.77	390.73	9.56	-59.21
C[N@@H+]1CCCCC1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008458	0	48	0.0	-72.77	354.70	8.22	-64.55
C[N@H+]1CCCCC1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008458	1	48	0.0	-68.73	366.66	8.49	-60.24
CC(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)N1CC[NH+](C)CC1	REAL300005008459	1	53	0.0	-71.56	398.00	6.73	-64.83
C[N@@H+]1CCCC[C@H]1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008498	0	48	0.0	-65.50	366.68	8.49	-57.01
C[N@H+]1CCCC[C@H]1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008498	1	48	0.0	-69.83	357.06	8.31	-61.52
C[NH+]1CCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005008577	0	48	0.0	-77.67	366.97	8.47	-69.20
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN3C=[NH+]C=C3C=C1)CCS2	REAL300005008607	0	43	0.0	-72.52	354.85	10.40	-62.12
C[NH+](C)CC1(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CCCCC1	REAL300005008640	0	57	0.0	-65.86	412.86	10.26	-55.60
C[N@H+](CCC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1CCCCC1	REAL300005008645	0	57	0.0	-73.00	423.10	10.47	-62.53
C[N@@H+](CCC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1CCCCC1	REAL300005008645	1	57	0.0	-73.52	423.10	10.47	-63.05
C[N@@H+]1CCCC1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008661	0	45	0.0	-67.50	344.39	7.44	-60.06
C[N@H+]1CCCC1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008661	1	45	0.0	-71.69	342.08	7.36	-64.33
C[NH+]1CCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005008711	0	48	0.0	-77.67	366.97	8.47	-69.20
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)CCS2	REAL300005008715	0	51	0.0	-77.40	413.92	9.52	-67.88
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)CCS2	REAL300005008733	0	58	0.0	-69.70	415.93	10.75	-58.95
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC[N@H+]1C1CCCC1)CCS2	REAL300005008733	1	58	0.0	-69.40	414.70	10.74	-58.66
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC([NH+]3CCOCC3)CC1)CCS2	REAL300005008734	0	59	0.0	-79.67	434.14	9.10	-70.57
CC1=[NH+]C=CN1CCCC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008769	1	49	0.0	-68.91	395.65	9.78	-59.13
O=C(CCCC[NH+]1CCOCC1)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008770	1	55	0.0	-76.04	422.97	8.46	-67.58
C[C@@H](C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005008775	0	44	0.0	-73.23	340.56	7.21	-66.02
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008776	0	45	0.0	-74.80	341.96	7.34	-67.46
C[N@H+]1CCC[C@@H]1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008776	1	45	0.0	-67.98	351.03	7.95	-60.03
C[C@H](C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005008779	0	44	0.0	-71.42	340.52	7.23	-64.19
C[NH+](C)C1(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005008786	0	45	0.0	-78.13	350.56	8.15	-69.98
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)CCS2	REAL300005008828	0	55	0.0	-75.94	427.11	11.23	-64.71
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)CCS2	REAL300005008828	1	55	0.0	-73.80	429.44	11.39	-62.41
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[NH+](C3CCSC3)CC1)CCS2	REAL300005008829	0	56	0.0	-81.53	428.48	10.78	-70.75
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008851	0	59	0.0	-75.69	419.13	8.65	-67.04
CCC(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+](CC)CC	REAL300005008855	0	53	0.0	-64.10	387.30	8.89	-55.21
CC(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300005008857	0	54	0.0	-73.73	417.49	10.78	-62.95
CC(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005008857	1	54	0.0	-71.91	419.57	10.89	-61.02
C[NH+](C)CC1=CC=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300005008887	0	50	0.0	-79.25	396.34	8.44	-70.81
CCC[NH+](CCC)CCCC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008892	0	59	0.0	-72.51	447.26	11.08	-61.43
CC[N@H+](C)C(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300005008893	0	54	0.0	-71.83	414.84	10.94	-60.89
CC[N@@H+](C)C(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300005008893	1	54	0.0	-70.54	409.95	10.79	-59.75
C[N@@H+]1CCOC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005008895	1	46	0.0	-78.42	354.64	7.19	-71.23
C[N@H+]1CCOC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005008895	1	46	0.0	-68.37	354.96	7.18	-61.19
CC[NH+](CC)C(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300005008897	0	57	0.0	-71.00	418.47	11.12	-59.88
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008906	1	49	0.0	-65.68	390.43	9.62	-56.06
C[NH+](C)C(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1=CC=C(Cl)C=C1	REAL300005008911	1	51	0.0	-74.68	416.15	10.89	-63.79
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)CCS2	REAL300005008920	0	55	0.0	-78.78	427.64	11.53	-67.25
C[NH+](C)CC1(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005008929	0	48	0.0	-79.60	366.64	8.62	-70.98
C[NH+](C)CCCCC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008937	0	50	0.0	-74.43	390.07	9.01	-65.42
CC(C)C(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005008945	0	50	0.0	-66.35	368.92	8.42	-57.93
CC1=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300005008955	1	49	0.0	-81.83	396.56	8.66	-73.17
O=C([O-])C1CC2(C1)CC(NC(=O)C1=NOC(C[NH+]3CCCC3)=C1)CCS2	REAL300005008973	1	51	0.0	-79.43	405.78	8.89	-70.54
C[NH+](C)CCC1=CC=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300005008974	0	54	0.0	-81.12	425.32	11.22	-69.90
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008984	1	47	0.0	-67.51	371.70	7.89	-59.62
CCC[N@H+](C)CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008994	0	47	0.0	-70.59	363.91	8.30	-62.29
CCC[N@@H+](C)CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008994	1	47	0.0	-74.08	361.62	8.21	-65.87
C[N@H+](CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1CCC1	REAL300005009016	0	48	0.0	-68.53	370.79	8.86	-59.67
C[N@@H+](CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1CCC1	REAL300005009016	1	48	0.0	-68.82	370.92	8.88	-59.94
CC(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+]1CCSCC1	REAL300005009039	1	49	0.0	-70.57	380.07	8.73	-61.84
C[N@H+](CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)CC(C)(C)C	REAL300005009042	0	53	0.0	-73.80	390.23	9.21	-64.59
C[N@@H+](CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)CC(C)(C)C	REAL300005009042	1	53	0.0	-70.48	394.82	9.45	-61.03
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009044	0	54	0.0	-77.81	421.53	11.24	-66.57
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009044	1	54	0.0	-77.63	421.53	11.23	-66.40
COCCOCC[N@H+](C)CCC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009045	0	58	0.0	-72.77	452.86	7.49	-65.28
COCCOCC[N@@H+](C)CCC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009045	1	58	0.0	-74.76	452.87	7.50	-67.26
CC[C@@H](C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005009049	0	47	0.0	-71.92	352.80	7.82	-64.10
C[N@@H+]1CCCC(O)(CC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005009051	0	52	0.0	-71.56	382.56	6.95	-64.61
C[N@H+]1CCCC(O)(CC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005009051	1	52	0.0	-71.16	392.31	7.15	-64.01
CCCCCC[N@H+](C)CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009072	0	56	0.0	-71.62	428.40	10.64	-60.98
CCCCCC[N@@H+](C)CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009072	1	56	0.0	-75.19	426.11	10.55	-64.64
O=C([O-])C1CC2(C1)CC(NC(=O)C13CCC[NH+]1CCC3)CCS2	REAL300005009082	0	49	0.0	-69.79	369.31	8.87	-60.92
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC3=C[NH+]=CN3C=C1)CCS2	REAL300005009090	1	43	0.0	-77.06	355.12	10.40	-66.66
C[N@H+](CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1CCSC1	REAL300005009101	0	49	0.0	-74.67	384.17	9.11	-65.56
C[N@@H+](CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1CCSC1	REAL300005009101	1	49	0.0	-74.52	383.97	9.13	-65.39
CC(C)[NH+]1CCN(CCC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005009117	0	59	0.0	-73.52	437.74	7.98	-65.54
CC(C)N1CC[NH+](CCC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005009117	1	59	0.0	-72.81	436.55	7.85	-64.96
CC(C)[NH+]1CCN(CCCC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005009118	0	62	0.0	-69.99	461.54	8.85	-61.14
CC(C)N1CC[NH+](CCCC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005009118	1	62	0.0	-73.40	458.05	8.65	-64.75
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC3CCC[N@@H+]31)CCS2	REAL300005009119	0	52	0.0	-67.26	380.55	9.42	-57.84
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC3CCC[N@H+]31)CCS2	REAL300005009119	1	52	0.0	-67.38	386.65	9.63	-57.75
C[NH+](C)CCN1C=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300005009121	0	51	0.0	-79.28	408.99	8.38	-70.90
CC(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005009135	1	55	0.0	-73.72	420.72	11.17	-62.55
CC(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005009135	1	55	0.0	-75.45	420.36	11.16	-64.29
CCCC(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005009154	0	50	0.0	-67.15	376.61	8.65	-58.50
C[NH+](C)CCN1C=CC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)=N1	REAL300005009169	0	51	0.0	-85.43	407.07	8.31	-77.12
C[NH+](C)CCN1N=CC=C1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009170	0	51	0.0	-68.41	402.04	8.29	-60.12
C[C@@H]1[C@H](C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC[N@@H+]1C	REAL300005009173	0	48	0.0	-74.50	361.88	8.09	-66.41
C[C@@H]1[C@H](C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC[N@H+]1C	REAL300005009173	1	48	0.0	-73.67	366.55	8.39	-65.28
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009175	1	52	0.0	-66.17	410.65	10.09	-56.08
CC[C@@H]1[C@@H](C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC[N@@H+]1C	REAL300005009178	0	51	0.0	-73.98	381.88	8.59	-65.39
CC[C@@H]1[C@@H](C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC[N@H+]1C	REAL300005009178	1	51	0.0	-73.42	386.64	8.93	-64.49
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009181	1	47	0.0	-72.58	369.02	8.57	-64.01
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009181	1	47	0.0	-72.52	373.75	9.07	-63.45
CC1C[N@H+](C)CC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)O1	REAL300005009187	1	49	0.0	-85.50	374.24	7.97	-77.53
CC1C[N@@H+](C)CC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)O1	REAL300005009187	1	49	0.0	-84.52	373.72	7.55	-76.97
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)CCS2	REAL300005009193	1	54	0.0	-65.58	425.09	9.93	-55.65
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)CCS2	REAL300005009193	1	54	0.0	-67.39	418.16	9.19	-58.20
O=C(C[NH+]1CCCC1)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009195	0	45	0.0	-69.85	350.18	8.02	-61.83
CC1=[NH+]C=CN1CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009197	1	43	0.0	-66.48	354.11	8.50	-57.98
CC(C[NH+]1CCOCC1)C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009199	0	52	0.0	-72.95	395.98	7.61	-65.34
CC1CC[NH+](CC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005009218	0	51	0.0	-70.86	387.28	9.37	-61.49
CC[N@@H+]1CCOC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005009229	1	49	0.0	-81.70	377.56	7.90	-73.80
CC[N@H+]1CCOC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005009229	1	49	0.0	-73.05	370.09	7.73	-65.32
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[N@@H+](C3CCCCC3)C1)CCS2	REAL300005009265	0	58	0.0	-75.39	428.95	10.72	-64.67
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[N@H+](C3CCCCC3)C1)CCS2	REAL300005009265	1	58	0.0	-70.28	429.34	10.76	-59.52
C[N@@H+]1CCCC1CCC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009271	0	51	0.0	-75.23	387.96	9.25	-65.98
C[N@H+]1CCCC1CCC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009271	1	51	0.0	-70.64	386.65	8.90	-61.74
O=C([O-])C1CC2(C1)CC(NC(=O)C13CCC[NH+](CCC1)C3)CCS2	REAL300005009283	0	52	0.0	-72.15	381.80	9.10	-63.05
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009285	0	49	0.0	-70.39	369.92	5.56	-64.83
C[N@H+]1CC(O)CC1(C)C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009285	1	49	0.0	-71.64	372.60	5.25	-66.39
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC3CCCC[N@@H+]31)CCS2	REAL300005009286	0	52	0.0	-68.58	386.13	9.39	-59.19
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC3CCCC[N@H+]31)CCS2	REAL300005009286	1	52	0.0	-65.09	392.13	9.82	-55.27
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009293	0	55	0.0	-71.29	405.32	7.98	-63.31
CC[NH+](CC)CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009308	0	47	0.0	-68.68	356.29	7.96	-60.72
CC(C)[NH+]1CCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005009310	0	54	0.0	-73.77	399.95	9.49	-64.28
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC[NH+](CC1)C3)CCS2	REAL300005009390	0	46	0.0	-73.71	356.01	7.43	-66.28
CCC(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005009393	0	47	0.0	-68.53	355.33	7.88	-60.65
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC[N@H+](C1)CCC3)CCS2	REAL300005009401	0	49	0.0	-75.99	364.00	8.00	-67.99
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC[N@@H+](C1)CCC3)CCS2	REAL300005009401	1	49	0.0	-74.89	363.61	8.01	-66.88
CC1CCC(C)[NH+]1CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009445	0	51	0.0	-66.98	381.83	8.90	-58.08
C[NH+](C)CC1=CC=CC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)=C1	REAL300005009446	0	51	0.0	-75.73	402.86	10.37	-65.36
C[NH+](C)C1(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CCC1	REAL300005009482	0	48	0.0	-75.85	358.86	8.04	-67.81
C#CC[NH+]1CCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005009508	0	50	0.0	-76.80	393.96	9.69	-67.11
CCC[N@@H+]1CCCCC1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009510	0	54	0.0	-70.31	394.26	9.63	-60.68
CCC[N@H+]1CCCCC1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009510	1	54	0.0	-68.46	396.60	9.70	-58.76
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009511	0	51	0.0	-62.56	393.23	10.53	-52.03
CC[NH+]1CCN(CCC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005009513	0	56	0.0	-73.86	423.31	7.54	-66.32
CCN1CC[NH+](CCC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005009513	1	56	0.0	-72.87	423.31	7.53	-65.34
CC(C)[N@H+](C)CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009514	0	47	0.0	-71.30	356.81	7.99	-63.31
CC(C)[N@@H+](C)CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009514	1	47	0.0	-68.32	359.10	8.08	-60.24
CC(C)C(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+]1CCCCC1	REAL300005009515	0	57	0.0	-68.55	407.03	10.90	-57.65
C[NH+](C)C(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300005009516	1	51	0.0	-66.03	399.36	10.37	-55.66
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009524	1	52	0.0	-65.98	410.11	10.02	-55.96
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1C1CCCC1)CCS2	REAL300005009531	0	55	0.0	-70.63	399.93	10.71	-59.92
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1C1CCCC1)CCS2	REAL300005009531	1	55	0.0	-74.59	399.29	10.67	-63.92
CC[N@H+](CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1CC1	REAL300005009533	0	48	0.0	-67.49	373.90	8.93	-58.56
CC[N@@H+](CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)C1CC1	REAL300005009533	1	48	0.0	-70.73	371.50	8.84	-61.89
CC(C)C(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+]1CC(C)OC(C)C1	REAL300005009558	1	61	0.0	-68.00	446.96	10.06	-57.94
CC(C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+]1CCCCCC1	REAL300005009559	0	54	0.0	-67.22	394.74	9.29	-57.93
C[N@@H+]1CCC[C@H]1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009562	0	45	0.0	-71.38	347.99	7.83	-63.55
C[N@H+]1CCC[C@H]1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009562	1	45	0.0	-74.69	342.44	7.35	-67.34
CC(C)(C)[NH2+]CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009641	0	47	0.0	-69.44	363.65	6.61	-62.83
CC[NH+](CC)CC1=CC=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)O1	REAL300005009643	0	54	0.0	-77.86	422.75	9.97	-67.89
O=C(CCCC[NH+]1CCCC1)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009644	0	54	0.0	-72.88	416.03	10.19	-62.69
C[N@H+](CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)CC1=CC=CC=C1	REAL300005009646	1	51	0.0	-78.32	399.05	10.39	-67.93
C[N@@H+](CC(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)CC1=CC=CC=C1	REAL300005009646	1	51	0.0	-78.51	399.10	10.39	-68.12
CC(C)[C@@H](C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005009656	0	50	0.0	-74.29	372.48	8.84	-65.45
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)CCS2	REAL300005009674	1	46	0.0	-78.97	383.98	8.32	-70.65
C[NH+](C)CC1=CC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)=NO1	REAL300005009698	1	47	0.0	-79.05	382.53	7.86	-71.19
CC(C)[N@@H+]1CCCC1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009712	0	51	0.0	-73.01	368.16	8.76	-64.25
CC(C)[N@H+]1CCCC1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009712	1	51	0.0	-72.97	368.59	8.70	-64.27
C[NH+]1CCC(OCC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005009733	0	52	0.0	-77.98	404.63	8.97	-69.01
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C[NH+]3CCCCC3)O1)CCS2	REAL300005009737	0	55	0.0	-79.60	427.47	10.38	-69.22
CCC[N@@H+]1CCCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005009907	0	54	0.0	-64.07	401.91	10.12	-53.95
CCC[N@H+]1CCCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005009907	1	54	0.0	-70.40	408.45	9.91	-60.49
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009935	0	54	0.0	-70.26	407.17	9.99	-60.27
CC(C)C[N@H+]1CCCC1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009935	1	54	0.0	-70.57	406.66	9.95	-60.62
O=C([O-])C1CC2(C1)CC(NC(=O)C[NH+]1CCC(CO)CC1)CCS2	REAL300005009936	0	52	0.0	-71.96	398.11	6.05	-65.91
CC(C)[N@@H+]1CCCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010143	0	54	0.0	-67.98	394.65	9.79	-58.19
CC(C)[N@H+]1CCCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010143	1	54	0.0	-72.05	401.27	9.60	-62.45
C[N@@H+]1CC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C(C(F)(F)F)C1	REAL300005010144	0	48	0.0	-86.17	386.32	8.53	-77.64
C[N@H+]1CC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C(C(F)(F)F)C1	REAL300005010144	1	48	0.0	-79.03	381.40	8.61	-70.42
CC1=C(C)[NH+]=C(CCC(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)N1	REAL300005010167	1	49	0.0	-69.54	392.63	8.09	-61.45
C[NH+](C)CCC1=CC=CC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)=C1	REAL300005010616	0	54	0.0	-77.04	425.35	11.21	-65.83
C[NH+](C)CCOC1=CC=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300005010622	0	55	0.0	-79.30	432.62	10.16	-69.14
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010754	0	48	0.0	-76.44	371.55	8.52	-67.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005010758	0	54	0.0	-72.20	397.03	9.57	-62.63
CC1=[NH+]C=C2C=CC(C(=O)NC3CCSC4(CC(C(=O)[O-])C4)C3)=CN21	REAL300005010762	0	46	0.0	-68.95	376.27	10.18	-58.77
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010823	0	57	0.0	-70.28	425.86	10.61	-59.67
CC(C)C[N@H+]1CCCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010823	1	57	0.0	-74.03	423.49	10.52	-63.51
CC[N@@H+]1CCCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010824	0	51	0.0	-73.41	384.20	9.07	-64.34
CC[N@H+]1CCCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010824	1	51	0.0	-65.92	380.41	9.37	-56.55
C[N@@H+]1CCCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010829	0	48	0.0	-66.25	363.07	8.72	-57.53
C[N@H+]1CCCC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010829	1	48	0.0	-72.51	368.94	8.51	-64.00
C[NH+](C)CC1=CC=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)O1	REAL300005010831	1	48	0.0	-80.40	385.88	8.51	-71.89
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010837	0	57	0.0	-76.58	411.98	9.92	-66.66
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C1	REAL300005010837	1	57	0.0	-77.56	404.36	9.47	-68.09
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC(C1)C[N@H+]3C1CC1)CCS2	REAL300005010840	1	50	0.0	-74.44	377.11	9.88	-64.56
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Br)C=C2F)C1	REAL300005010921	1	40	0.0	-48.67	337.39	8.05	-40.62
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300005010969	0	49	0.0	-76.91	380.21	8.87	-68.04
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300005010970	0	52	0.0	-85.99	401.54	10.36	-75.63
CCOC1=CC(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)=CC=C1OCC(=O)[O-]	REAL300005010971	0	56	0.0	-81.37	425.72	9.66	-71.71
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005010972	0	51	0.0	-79.97	389.73	10.17	-69.80
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005010973	0	49	0.0	-79.78	378.19	9.87	-69.91
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005010974	0	53	0.0	-81.55	427.60	5.01	-76.54
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005010975	0	47	0.0	-72.32	376.67	9.26	-63.06
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005010976	0	47	0.0	-72.32	376.67	9.26	-63.06
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C=C1	REAL300005010977	0	55	0.0	-84.70	415.46	10.12	-74.58
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005010978	0	52	0.0	-77.31	406.72	9.60	-67.71
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005010979	0	51	0.0	-56.78	385.24	10.16	-46.62
CC1=CC(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)=CC(C)=C1OCC(=O)[O-]	REAL300005010980	0	55	0.0	-80.74	423.42	10.37	-70.37
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300005010981	0	48	0.0	-75.60	374.01	9.26	-66.34
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300005010982	0	45	0.0	-78.71	345.00	8.62	-70.09
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300005010983	0	48	0.0	-81.10	374.03	9.31	-71.79
CC1=NC(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)=CC=C1C(=O)[O-]	REAL300005010984	0	47	0.0	-65.60	363.16	7.39	-58.21
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300005010985	0	45	0.0	-72.95	369.79	9.20	-63.75
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005010986	0	48	0.0	-71.82	370.75	9.34	-62.48
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300005010987	0	55	0.0	-59.24	417.23	11.77	-47.47
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@@H](CC(C)C)C[NH+](C)C	REAL300005010988	0	48	0.0	-54.97	378.60	8.11	-46.86
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC1CCC(C(=O)[O-])CC1	REAL300005010989	0	54	0.0	-73.81	376.97	9.21	-64.60
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300005010990	0	52	0.0	-76.47	380.61	9.19	-67.28
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005010991	0	55	0.0	-73.92	390.42	9.72	-64.20
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005010992	0	47	0.0	-73.84	365.44	7.99	-65.85
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CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005010994	0	58	0.0	-74.16	425.93	11.80	-62.36
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300005010995	0	46	0.0	-65.42	363.20	8.27	-57.15
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300005010996	0	52	0.0	-58.60	379.97	9.23	-49.37
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CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005010998	0	54	0.0	-76.77	417.62	9.17	-67.60
CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300005010999	0	49	0.0	-79.12	362.85	7.87	-71.25
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300005011000	0	48	0.0	-72.19	371.06	9.40	-62.79
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005011001	0	49	0.0	-77.65	375.68	9.97	-67.68
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300005011002	0	46	0.0	-69.73	365.88	8.28	-61.45
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300005011003	0	51	0.0	-69.96	383.93	10.14	-59.82
CC(C)C[C@@H](C[NH+](C)C)NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300005011004	0	48	0.0	-81.01	373.27	4.11	-76.90
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300005011005	0	46	0.0	-71.60	369.01	8.34	-63.26
CC1=CC=C(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C=C1C(=O)[O-]	REAL300005011006	0	48	0.0	-72.49	361.01	9.34	-63.15
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CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005011008	0	51	0.0	-96.11	393.34	8.23	-87.88
CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005011009	0	52	0.0	-76.91	392.99	8.45	-68.46
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CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300005011011	0	53	0.0	-62.34	366.28	10.38	-51.96
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CN1CCCC(C(=O)[O-])C1	REAL300005011012	1	53	0.0	-73.33	388.77	6.66	-66.67
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300005011013	0	52	0.0	-55.70	390.63	10.56	-45.14
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005011014	0	52	0.0	-81.51	400.62	9.27	-72.24
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300005011015	0	52	0.0	-93.91	404.75	10.92	-82.99
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CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005011025	0	45	0.0	-74.22	379.06	9.13	-65.09
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CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300005011028	0	48	0.0	-72.27	381.98	10.10	-62.17
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300005011029	0	50	0.0	-80.07	374.10	8.01	-72.06
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CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)O1	REAL300005015369	0	49	0.0	-74.23	378.02	8.61	-65.62
CC1=CC=C(N2CCC(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)CC2)[NH+]=C1	REAL300005015370	1	52	0.0	-69.85	391.89	8.51	-61.34
C[N@H+](CC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)CC1=CC=CC=C1	REAL300005015371	1	46	0.0	-74.41	354.94	9.03	-65.38
C[N@@H+](CC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)CC1=CC=CC=C1	REAL300005015371	1	46	0.0	-74.39	354.99	9.03	-65.36
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)C=C2)CC1	REAL300005015374	0	58	0.0	-77.72	424.01	9.28	-68.44
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005015385	1	41	0.0	-78.24	337.16	6.87	-71.37
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	REAL300005015419	0	53	0.0	-77.13	402.53	10.40	-66.73
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	REAL300005015419	1	53	0.0	-71.80	397.99	10.41	-61.39
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C=C1	REAL300005015437	0	54	0.0	-79.57	421.32	9.83	-69.74
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300005015455	0	50	0.0	-76.03	383.97	9.11	-66.92
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300005015486	0	52	0.0	-70.39	391.98	8.59	-61.80
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300005015486	1	52	0.0	-69.14	390.62	8.70	-60.44
O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300005015725	0	54	0.0	-77.00	406.96	10.89	-66.11
O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300005015725	1	54	0.0	-77.04	408.17	10.86	-66.18
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300005015757	1	53	0.0	-70.83	402.95	10.62	-60.21
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300005015757	1	53	0.0	-72.89	393.45	10.48	-62.41
C[N@@H+]1CC(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005015840	0	43	0.0	-77.17	329.70	7.10	-70.07
C[N@H+]1CC(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005015840	1	43	0.0	-74.52	334.54	7.11	-67.41
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)=C1	REAL300005016272	0	49	0.0	-74.27	378.55	9.73	-64.54
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C=C1	REAL300005016278	0	50	0.0	-78.36	385.80	8.69	-69.67
O=C([O-])C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005016357	0	56	0.0	-72.45	417.31	11.28	-61.17
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)C=C2)CCO1	REAL300005016359	1	54	0.0	-78.70	403.42	9.06	-69.64
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)C=C2)CCO1	REAL300005016359	1	54	0.0	-79.22	410.21	9.09	-70.13
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1	REAL300005016445	0	52	0.0	-67.61	379.08	9.10	-58.51
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1	REAL300005016445	1	52	0.0	-67.61	379.08	9.10	-58.51
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1	REAL300005016453	0	52	0.0	-72.73	360.24	8.09	-64.64
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1	REAL300005016453	1	52	0.0	-72.73	360.24	8.09	-64.64
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[NH+](C3CC3)CC1)CCS2(=O)=O	REAL300005017580	0	54	0.0	-84.01	408.87	6.03	-77.98
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1C1CC1)CCS2(=O)=O	REAL300005017598	0	51	0.0	-77.47	392.80	5.41	-72.06
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1C1CC1)CCS2(=O)=O	REAL300005017598	1	51	0.0	-74.72	392.51	5.69	-69.03
CC1=[NH+]C=C2CCC(C(=O)NC3CCS(=O)(=O)C4(CC(C(=O)[O-])C4)C3)CN21	REAL300005017602	1	52	0.0	-73.89	408.36	6.08	-67.81
C[NH+](C)CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017645	1	43	0.0	-80.24	340.04	3.33	-76.91
C[N@@H+]1CCCCC1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017646	0	50	0.0	-76.65	372.69	4.75	-71.90
C[N@H+]1CCCCC1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017646	1	50	0.0	-77.41	382.29	4.92	-72.49
CC(C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)N1CC[NH+](C)CC1	REAL300005017647	1	55	0.0	-78.91	413.37	3.16	-75.75
C[N@@H+]1CCCC[C@H]1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017676	0	50	0.0	-82.60	381.35	4.75	-77.85
C[N@H+]1CCCC[C@H]1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017676	1	50	0.0	-82.65	372.45	4.59	-78.06
C[NH+]1CCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300005017714	0	50	0.0	-81.69	384.63	4.98	-76.71
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN3C=[NH+]C=C3C=C1)CCS2(=O)=O	REAL300005017738	0	45	0.0	-80.04	370.21	6.82	-73.22
C[N@@H+]1CCCC1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017768	0	47	0.0	-80.88	360.06	3.87	-77.01
C[N@H+]1CCCC1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017768	1	47	0.0	-80.44	365.87	4.20	-76.24
C[NH+]1CCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300005017806	0	50	0.0	-81.69	384.63	4.98	-76.71
CC1=[NH+]C=CN1CCCC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017834	1	51	0.0	-77.12	411.02	6.23	-70.89
C[C@@H](C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005017840	0	46	0.0	-79.25	358.22	3.73	-75.52
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017841	0	47	0.0	-80.94	359.99	3.87	-77.07
C[N@H+]1CCC[C@@H]1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017841	1	47	0.0	-76.49	366.64	4.39	-72.10
C[C@H](C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005017845	0	46	0.0	-76.86	358.21	3.72	-73.14
C[NH+](C)C1(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300005017853	0	47	0.0	-87.89	367.95	4.53	-83.36
CCC(C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[NH+](CC)CC	REAL300005017908	0	55	0.0	-74.42	402.64	5.34	-69.08
C[NH+](C)CC1=CC=C(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=N1	REAL300005017924	0	52	0.0	-83.70	413.97	5.35	-78.35
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017936	1	51	0.0	-79.34	405.21	5.90	-73.44
C[NH+](C)CC1(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300005017944	0	50	0.0	-87.30	391.47	4.91	-82.39
C[NH+](C)CCCCC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017949	0	52	0.0	-81.35	405.40	5.46	-75.89
CC(C)C(C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005017959	0	52	0.0	-78.66	387.47	5.53	-73.13
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017974	1	49	0.0	-72.75	389.35	4.40	-68.35
CCC[N@H+](C)CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017980	0	49	0.0	-85.15	378.69	4.58	-80.57
CCC[N@@H+](C)CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005017980	1	49	0.0	-79.97	379.27	4.73	-75.24
C[N@H+](CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)C1CCC1	REAL300005017997	0	50	0.0	-82.67	385.55	5.15	-77.52
C[N@@H+](CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)C1CCC1	REAL300005017997	1	50	0.0	-78.26	386.28	5.32	-72.94
C[N@H+](CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)CC(C)(C)C	REAL300005018010	0	55	0.0	-79.64	407.88	5.74	-73.90
C[N@@H+](CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)CC(C)(C)C	REAL300005018010	1	55	0.0	-79.81	410.18	5.89	-73.92
CC[C@@H](C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005018013	0	49	0.0	-78.31	370.46	4.33	-73.98
C[N@@H+]1CCCC(O)(CC(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005018015	0	54	0.0	-77.69	400.43	3.30	-74.39
C[N@H+]1CCCC(O)(CC(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005018015	1	54	0.0	-76.75	410.61	3.66	-73.09
CCCCCC[N@H+](C)CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018035	0	58	0.0	-86.36	443.18	6.92	-79.44
CCCCCC[N@@H+](C)CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018035	1	58	0.0	-81.12	443.77	7.08	-74.04
O=C([O-])C1CC2(C1)CC(NC(=O)C13CCC[NH+]1CCC3)CCS2(=O)=O	REAL300005018041	0	51	0.0	-84.02	384.02	5.14	-78.88
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC3=C[NH+]=CN3C=C1)CCS2(=O)=O	REAL300005018048	1	45	0.0	-83.91	370.48	6.84	-77.07
C[N@H+](CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)C1CCSC1	REAL300005018054	0	51	0.0	-84.21	399.53	5.56	-78.65
C[N@@H+](CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)C1CCSC1	REAL300005018054	1	51	0.0	-85.62	400.79	5.55	-80.07
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC3CCC[N@@H+]31)CCS2(=O)=O	REAL300005018067	0	54	0.0	-72.50	404.56	6.17	-66.33
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC3CCC[N@H+]31)CCS2(=O)=O	REAL300005018067	1	54	0.0	-73.20	404.66	6.15	-67.05
C[NH+](C)CCN1C=C(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=N1	REAL300005018068	0	53	0.0	-90.54	423.78	4.67	-85.87
CCCC(C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005018085	0	52	0.0	-79.43	391.95	5.11	-74.32
C[NH+](C)CCN1C=CC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=N1	REAL300005018094	0	53	0.0	-88.91	424.72	4.83	-84.08
C[NH+](C)CCN1N=CC=C1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018095	0	53	0.0	-75.71	419.69	4.81	-70.90
C[C@@H]1[C@H](C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC[N@@H+]1C	REAL300005018097	0	50	0.0	-84.04	377.02	4.32	-79.72
C[C@@H]1[C@H](C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC[N@H+]1C	REAL300005018097	1	50	0.0	-79.48	383.36	4.60	-74.88
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018099	1	54	0.0	-74.06	425.99	6.53	-67.53
CC[C@@H]1[C@@H](C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC[N@@H+]1C	REAL300005018101	0	53	0.0	-85.23	397.25	4.86	-80.37
CC[C@@H]1[C@@H](C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC[N@H+]1C	REAL300005018101	1	53	0.0	-81.32	401.92	5.36	-75.96
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018103	1	49	0.0	-83.31	386.42	4.93	-78.38
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018103	1	49	0.0	-81.34	392.26	5.45	-75.89
CC1C[N@H+](C)CC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)O1	REAL300005018106	1	51	0.0	-90.07	391.87	4.49	-85.58
CC1C[N@@H+](C)CC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)O1	REAL300005018106	1	51	0.0	-87.67	391.68	4.07	-83.60
O=C([O-])C1CC2(C1)CC(NC(=O)C[NH+]1CCCC1)CCS2(=O)=O	REAL300005018112	0	47	0.0	-84.26	364.93	4.30	-79.96
CC1=[NH+]C=CN1CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018114	1	45	0.0	-80.24	368.89	4.77	-75.47
CC(C[NH+]1CCOCC1)C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018116	1	54	0.0	-81.52	411.35	4.06	-77.46
CC1CC[NH+](CC(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300005018133	0	53	0.0	-80.42	403.00	5.81	-74.61
CC[N@@H+]1CCOC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005018140	1	51	0.0	-85.92	388.04	4.26	-81.66
CC[N@H+]1CCOC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005018140	1	51	0.0	-84.76	395.46	4.41	-80.35
C[N@@H+]1CCCC1CCC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018163	0	53	0.0	-82.70	407.40	5.82	-76.88
C[N@H+]1CCCC1CCC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018163	1	53	0.0	-82.39	401.38	5.17	-77.22
O=C([O-])C1CC2(C1)CC(NC(=O)C13CCC[NH+](CCC1)C3)CCS2(=O)=O	REAL300005018171	0	54	0.0	-79.60	397.42	5.51	-74.09
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018173	1	51	0.0	-85.98	384.69	1.83	-84.15
C[N@H+]1CC(O)CC1(C)C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018173	1	51	0.0	-87.12	387.33	1.52	-85.60
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC3CCCC[N@@H+]31)CCS2(=O)=O	REAL300005018174	0	54	0.0	-81.64	401.50	5.66	-75.98
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC3CCCC[N@H+]31)CCS2(=O)=O	REAL300005018174	1	54	0.0	-78.92	407.42	6.11	-72.81
CC[NH+](CC)CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018185	0	49	0.0	-77.60	376.14	4.68	-72.92
CC(C)[NH+]1CCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300005018187	0	56	0.0	-83.90	414.71	5.78	-78.12
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC[NH+](CC1)C3)CCS2(=O)=O	REAL300005018238	0	48	0.0	-85.18	371.43	3.67	-81.51
CCC(C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005018241	0	49	0.0	-78.36	370.46	4.33	-74.03
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC[N@H+](C1)CCC3)CCS2(=O)=O	REAL300005018248	0	51	0.0	-84.15	381.35	4.36	-79.79
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC[N@@H+](C1)CCC3)CCS2(=O)=O	REAL300005018248	1	51	0.0	-83.55	381.39	4.38	-79.17
CC1CCC(C)[NH+]1CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018275	0	53	0.0	-76.66	397.18	5.34	-71.32
C[NH+](C)CC1=CC=CC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300005018276	0	53	0.0	-81.05	418.24	6.82	-74.23
C[NH+](C)C1(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CCC1	REAL300005018301	0	50	0.0	-87.62	375.15	4.83	-82.79
C#CC[NH+]1CCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300005018316	0	52	0.0	-87.73	408.71	5.98	-81.75
CCC[N@@H+]1CCCCC1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018317	0	56	0.0	-76.08	411.84	6.13	-69.95
CCC[N@H+]1CCCCC1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018317	1	56	0.0	-81.31	411.26	5.96	-75.35
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018318	0	53	0.0	-69.56	410.88	7.04	-62.52
CC(C)[N@H+](C)CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018319	0	49	0.0	-77.16	374.47	4.52	-72.64
CC(C)[N@@H+](C)CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018319	1	49	0.0	-82.91	373.88	4.37	-78.54
C[NH+](C)C(C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300005018320	1	53	0.0	-80.02	414.69	6.81	-73.21
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018325	1	54	0.0	-78.32	424.87	6.32	-72.00
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1C1CCCC1)CCS2(=O)=O	REAL300005018330	0	57	0.0	-78.97	415.51	7.14	-71.83
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1C1CCCC1)CCS2(=O)=O	REAL300005018330	1	57	0.0	-81.54	425.19	6.55	-74.99
CC[N@H+](CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)C1CC1	REAL300005018332	0	50	0.0	-76.08	388.64	5.35	-70.73
CC[N@@H+](CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)C1CC1	REAL300005018332	1	50	0.0	-77.23	383.41	5.07	-72.16
CC(C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[NH+]1CCCCCC1	REAL300005018345	0	56	0.0	-75.21	410.08	5.73	-69.48
C[N@@H+]1CCC[C@H]1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018348	0	47	0.0	-81.13	365.76	4.18	-76.95
C[N@H+]1CCC[C@H]1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018348	1	47	0.0	-80.93	360.05	3.87	-77.06
CC(C)(C)[NH2+]CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018389	0	49	0.0	-78.96	378.99	3.04	-75.92
O=C([O-])C1CC2(C1)CC(NC(=O)CCCC[NH+]1CCCC1)CCS2(=O)=O	REAL300005018390	0	56	0.0	-79.95	431.37	6.64	-73.31
C[N@H+](CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)CC1=CC=CC=C1	REAL300005018392	1	53	0.0	-84.12	416.70	6.92	-77.20
C[N@@H+](CC(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)CC1=CC=CC=C1	REAL300005018392	1	53	0.0	-84.44	416.75	6.92	-77.52
CC(C)[C@@H](C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005018399	0	52	0.0	-79.68	388.76	5.56	-74.12
C[NH+](C)CC1=CC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=NO1	REAL300005018422	1	49	0.0	-85.93	399.16	4.35	-81.58
CC(C)[N@@H+]1CCCC1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018431	0	53	0.0	-78.24	386.57	5.31	-72.93
CC(C)[N@H+]1CCCC1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018431	1	53	0.0	-83.60	386.00	5.08	-78.52
C[NH+]1CCC(OCC(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300005018444	0	54	0.0	-85.37	420.00	5.41	-79.96
CCC[N@@H+]1CCCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005018536	0	56	0.0	-83.05	423.55	6.18	-76.87
CCC[N@H+]1CCCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005018536	1	56	0.0	-83.04	423.14	6.17	-76.87
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018550	0	56	0.0	-75.99	424.84	6.50	-69.49
CC(C)C[N@H+]1CCCC1C(=O)NC1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300005018550	1	56	0.0	-80.72	424.07	6.31	-74.41
O=C([O-])C1CC2(C1)CC(NC(=O)C[NH+]1CCC(CO)CC1)CCS2(=O)=O	REAL300005018551	1	54	0.0	-81.60	413.46	2.49	-79.11
CC(C)[N@@H+]1CCCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005018676	0	56	0.0	-73.74	412.98	6.31	-67.43
CC(C)[N@H+]1CCCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005018676	1	56	0.0	-77.19	418.90	6.11	-71.08
CC1=C(C)[NH+]=C(CCC(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)N1	REAL300005018691	1	51	0.0	-74.69	410.28	4.61	-70.08
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005019030	0	50	0.0	-81.30	389.87	5.04	-76.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300005019034	0	56	0.0	-76.16	411.71	5.85	-70.31
CC1=[NH+]C=C2C=CC(C(=O)NC3CCS(=O)(=O)C4(CC(C(=O)[O-])C4)C3)=CN21	REAL300005019036	0	48	0.0	-76.37	391.63	6.60	-69.77
CC[N@@H+]1CCCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005019072	0	53	0.0	-78.40	402.21	5.59	-72.81
CC[N@H+]1CCCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005019072	1	53	0.0	-74.76	395.98	5.80	-68.96
C[N@@H+]1CCCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005019077	0	50	0.0	-78.97	378.17	4.99	-73.98
C[N@H+]1CCCC(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300005019077	1	50	0.0	-83.93	384.37	4.78	-79.15
C[NH+](C)CC1=CC=C(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)O1	REAL300005019079	1	50	0.0	-84.46	404.62	5.12	-79.34
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC(C1)C[N@@H+]3C1CC1)CCS2(=O)=O	REAL300005019086	0	52	0.0	-82.47	396.93	5.70	-76.77
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC(C1)C[N@H+]3C1CC1)CCS2(=O)=O	REAL300005019086	1	52	0.0	-78.53	395.36	6.40	-72.13
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC12CCC(CC1)CO2	REAL300005019130	0	48	0.0	-47.14	350.17	6.57	-40.57
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC12CCC(CC1)CO2	REAL300005019130	1	48	0.0	-47.31	343.72	6.52	-40.79
CCC1C2=CC=CC=C2CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005019250	0	47	0.0	-47.60	349.70	10.63	-36.97
CCC1C2=CC=CC=C2CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005019250	1	47	0.0	-47.99	356.58	10.86	-37.13
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=NC=CC=C3N3CCC[C@H]3C2)C1	REAL300005019369	0	52	0.0	-44.08	378.11	7.82	-36.26
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=NC=CC=C3N3CCC[C@H]3C2)C1	REAL300005019369	1	52	0.0	-45.86	371.95	7.76	-38.10
CC1=NC=CC=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005019458	0	45	0.0	-52.87	342.40	6.81	-46.06
CC1=NC=CC=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005019458	1	45	0.0	-49.77	340.48	6.37	-43.40
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1Cl	REAL300005020725	0	47	0.0	-85.61	382.64	11.10	-74.51
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1Cl	REAL300005021427	0	44	0.0	-76.68	367.00	10.56	-66.12
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1Cl	REAL300005021427	1	44	0.0	-74.66	359.27	10.01	-64.65
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1Cl	REAL300005022358	0	41	0.0	-78.63	335.38	8.94	-69.69
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1Cl	REAL300005022388	0	38	0.0	-70.77	314.09	8.20	-62.57
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1Cl	REAL300005022388	1	38	0.0	-71.61	313.84	8.25	-63.36
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)CN12	REAL300005022394	1	39	0.0	-70.83	329.90	8.62	-62.21
O=C([O-])C1=CC=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1Cl	REAL300005022395	0	47	0.0	-74.59	377.07	10.54	-64.05
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)CC2)=CS1	REAL300005022473	1	46	0.0	-84.47	389.66	8.80	-75.67
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)N1CC[NH+](C)CC1	REAL300005022474	1	42	0.0	-75.89	334.73	5.72	-70.17
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300005022560	0	50	0.0	-79.65	415.78	10.64	-69.01
CC1(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005022573	0	50	0.0	-75.09	395.25	11.52	-63.57
O=C([O-])C1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1Cl	REAL300005022630	0	32	0.0	-76.82	291.54	9.40	-67.42
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CCCCC1	REAL300005022662	0	46	0.0	-80.17	346.64	9.41	-70.76
C[N@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1CCCCC1	REAL300005022667	0	46	0.0	-80.14	360.19	9.48	-70.66
C[N@@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1CCCCC1	REAL300005022667	1	46	0.0	-80.13	360.19	9.46	-70.67
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1Cl	REAL300005022689	1	44	0.0	-78.04	365.75	10.07	-67.97
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=C1Cl	REAL300005022689	1	44	0.0	-80.64	371.94	10.60	-70.04
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1Cl	REAL300005022743	0	40	0.0	-81.47	350.28	8.50	-72.97
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1Cl	REAL300005022768	0	47	0.0	-71.63	358.74	9.65	-61.98
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1Cl	REAL300005022768	1	47	0.0	-71.50	358.97	9.70	-61.80
O=C([O-])C1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1Cl	REAL300005022769	0	48	0.0	-73.73	366.77	7.99	-65.74
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005022800	1	38	0.0	-75.26	332.74	8.79	-66.47
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1Cl	REAL300005022801	1	44	0.0	-81.90	360.04	7.47	-74.43
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1)C(C)C	REAL300005022803	0	49	0.0	-80.42	387.49	10.99	-69.43
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1)C(C)C	REAL300005022803	1	49	0.0	-80.51	379.54	10.56	-69.95
O=C([O-])C1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300005022831	0	44	0.0	-79.12	364.89	10.26	-68.86
O=C([O-])C1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300005022831	1	44	0.0	-79.82	366.84	10.36	-69.46
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1Cl	REAL300005022832	0	45	0.0	-86.07	361.32	9.50	-76.57
C[NH+]1CCN(C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=CC=C2)CC1	REAL300005022860	1	49	0.0	-67.82	387.62	8.29	-59.53
O=C([O-])C1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1Cl	REAL300005022861	0	48	0.0	-82.47	354.69	7.54	-74.93
CCC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[NH+](CC)CC	REAL300005022865	0	42	0.0	-70.71	323.06	8.01	-62.70
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300005022867	1	43	0.0	-79.01	356.51	9.87	-69.14
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005022867	1	43	0.0	-78.70	356.44	9.86	-68.84
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C1Cl	REAL300005022877	0	50	0.0	-81.65	404.95	11.93	-69.72
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C1Cl	REAL300005022877	1	50	0.0	-73.86	399.09	12.15	-61.71
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300005022903	0	39	0.0	-81.54	335.31	7.90	-73.64
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005022913	0	48	0.0	-79.05	379.92	9.81	-69.24
O=C([O-])C1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C=C1Cl	REAL300005022914	1	48	0.0	-76.83	389.81	7.83	-69.00
CC[N@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=CC=C1	REAL300005022915	1	43	0.0	-74.34	348.78	9.81	-64.53
CC[N@@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=CC=C1	REAL300005022915	1	43	0.0	-74.83	349.99	9.82	-65.01
CC[NH+](CC)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=CC=C1	REAL300005022920	0	46	0.0	-75.03	360.22	10.12	-64.91
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005022928	1	38	0.0	-72.01	327.41	8.61	-63.40
C[NH+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300005022932	1	40	0.0	-78.08	353.25	9.89	-68.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1Cl	REAL300005022945	0	44	0.0	-83.39	364.66	10.51	-72.88
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CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)CC2)CC1	REAL300005022958	0	55	0.0	-81.93	412.20	8.60	-73.33
O=C([O-])C1=CC=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1Cl	REAL300005022978	1	48	0.0	-88.83	389.02	10.31	-78.52
O=C([O-])C1=CC=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1Cl	REAL300005022978	1	48	0.0	-89.80	389.39	10.30	-79.50
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1Cl	REAL300005022992	0	47	0.0	-75.53	370.78	10.85	-64.68
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1Cl	REAL300005022992	1	47	0.0	-75.86	370.96	10.86	-65.00
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300005022994	1	38	0.0	-82.99	337.23	7.78	-75.21
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1Cl	REAL300005023002	0	47	0.0	-83.47	381.40	11.22	-72.25
O=C([O-])C1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1Cl	REAL300005023015	1	40	0.0	-80.52	345.12	7.98	-72.54
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300005023016	0	43	0.0	-84.77	362.34	10.21	-74.56
O=C([O-])C1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1Cl	REAL300005023029	1	45	0.0	-87.28	376.16	9.81	-77.47
O=C([O-])C1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1Cl	REAL300005023029	1	45	0.0	-82.97	369.18	9.65	-73.32
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)CC(C)(C)C	REAL300005023091	0	42	0.0	-78.20	330.49	8.30	-69.90
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)CC(C)(C)C	REAL300005023091	1	42	0.0	-77.53	332.33	8.47	-69.06
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023093	0	43	0.0	-81.95	360.90	10.32	-71.63
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023093	1	43	0.0	-82.46	360.92	10.33	-72.13
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023094	0	47	0.0	-79.39	389.66	6.49	-72.90
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023094	1	47	0.0	-80.55	389.95	6.51	-74.04
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005023098	0	41	0.0	-72.91	322.18	5.96	-66.95
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005023098	1	41	0.0	-72.57	331.86	6.16	-66.41
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023118	0	45	0.0	-79.40	365.49	9.64	-69.76
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023118	1	45	0.0	-80.03	365.51	9.65	-70.38
O=C([O-])C1=CC=C(NC(=O)C23CCC[NH+]2CCC3)C=C1Cl	REAL300005023128	0	38	0.0	-76.31	306.01	7.82	-68.49
O=C([O-])C1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1Cl	REAL300005023136	1	32	0.0	-81.85	291.80	9.41	-72.44
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1CCSC1	REAL300005023153	1	38	0.0	-83.25	321.26	8.12	-75.13
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1CCSC1	REAL300005023153	1	38	0.0	-82.61	321.04	8.12	-74.49
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023168	0	48	0.0	-77.45	377.14	7.05	-70.40
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023168	1	48	0.0	-80.62	373.61	6.85	-73.77
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023169	0	51	0.0	-73.94	398.63	7.86	-66.08
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023169	1	51	0.0	-79.11	394.93	7.65	-71.46
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1Cl	REAL300005023170	0	41	0.0	-74.45	318.04	8.44	-66.01
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1Cl	REAL300005023170	1	41	0.0	-70.09	326.42	8.70	-61.39
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300005023172	0	40	0.0	-83.36	345.69	7.39	-75.97
O=C([O-])C1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1Cl	REAL300005023181	0	49	0.0	-85.04	394.57	9.22	-75.82
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C1Cl	REAL300005023184	0	46	0.0	-81.69	371.40	9.49	-72.20
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C1Cl	REAL300005023184	1	46	0.0	-81.34	371.43	9.52	-71.82
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005023189	1	44	0.0	-77.12	357.46	10.38	-66.74
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005023189	1	44	0.0	-77.84	359.90	10.27	-67.57
O=C([O-])C1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300005023213	0	47	0.0	-82.97	386.91	11.10	-71.87
O=C([O-])C1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300005023213	1	47	0.0	-84.36	387.35	11.10	-73.26
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300005023228	0	40	0.0	-87.03	346.38	7.39	-79.64
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023229	0	40	0.0	-80.78	335.49	7.78	-73.00
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023235	1	41	0.0	-71.78	347.74	9.08	-62.70
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC[N@@H+]1C	REAL300005023238	0	40	0.0	-79.34	318.72	7.51	-71.83
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC[N@H+]1C	REAL300005023238	1	40	0.0	-77.97	323.79	7.92	-70.05
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1	REAL300005023241	1	41	0.0	-82.99	347.22	6.96	-76.03
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1	REAL300005023241	1	41	0.0	-81.74	347.93	6.93	-74.81
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300005023250	1	38	0.0	-86.82	313.31	6.97	-79.85
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300005023250	1	38	0.0	-90.88	312.78	6.56	-84.32
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=C1Cl	REAL300005023256	0	47	0.0	-81.41	389.26	11.14	-70.27
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=C1Cl	REAL300005023256	1	47	0.0	-77.24	382.91	11.35	-65.89
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023262	1	41	0.0	-80.01	333.33	6.60	-73.41
O=C([O-])C1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C1Cl	REAL300005023263	0	48	0.0	-85.07	392.32	8.63	-76.44
CC1CC[NH+](CC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023273	1	40	0.0	-79.34	324.67	8.37	-70.97
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005023288	1	38	0.0	-85.82	316.61	6.91	-78.91
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005023288	1	38	0.0	-78.70	309.51	6.71	-71.99
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023327	1	47	0.0	-85.43	383.37	9.43	-76.00
O=C([O-])C1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1Cl	REAL300005023328	0	47	0.0	-77.33	366.48	9.75	-67.58
O=C([O-])C1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1Cl	REAL300005023328	1	47	0.0	-76.54	367.08	9.80	-66.74
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023335	0	40	0.0	-80.18	328.87	8.39	-71.79
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023335	1	40	0.0	-76.94	323.71	7.90	-69.04
O=C([O-])C1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1Cl	REAL300005023348	0	41	0.0	-76.71	319.26	8.06	-68.65
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023352	1	38	0.0	-81.72	309.71	4.00	-77.72
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023352	1	38	0.0	-83.70	308.69	3.83	-79.87
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1Cl	REAL300005023353	0	41	0.0	-73.28	322.45	8.37	-64.91
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1Cl	REAL300005023353	1	41	0.0	-72.19	329.57	8.81	-63.38
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023361	0	44	0.0	-75.72	342.48	6.94	-68.78
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300005023366	0	47	0.0	-88.92	378.43	8.25	-80.67
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300005023366	1	47	0.0	-87.51	375.89	8.45	-79.06
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)CC1	REAL300005023371	0	49	0.0	-74.65	398.15	8.79	-65.86
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CC1	REAL300005023372	0	49	0.0	-80.89	398.49	8.79	-72.10
CN1CC[NH+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CC1	REAL300005023372	1	49	0.0	-84.46	397.93	8.67	-75.79
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300005023373	0	50	0.0	-80.19	404.84	10.49	-69.70
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023381	0	43	0.0	-80.01	340.21	8.73	-71.28
O=C([O-])C1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C=C1Cl	REAL300005023468	0	38	0.0	-77.81	303.70	7.09	-70.72
O=C([O-])C1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=C1Cl	REAL300005023468	1	38	0.0	-78.78	302.82	7.10	-71.68
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023521	0	40	0.0	-73.37	319.07	7.76	-65.61
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300005023522	0	40	0.0	-78.39	339.53	9.37	-69.02
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300005023523	0	47	0.0	-75.33	376.47	11.24	-64.09
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300005023523	1	47	0.0	-75.38	376.54	11.28	-64.10
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023593	0	39	0.0	-83.29	330.81	8.68	-74.61
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023595	0	43	0.0	-72.02	342.33	8.91	-63.11
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023595	1	43	0.0	-73.96	333.28	8.69	-65.27
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023596	0	40	0.0	-63.90	332.27	9.60	-54.30
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023598	0	45	0.0	-78.85	359.89	6.50	-72.35
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023598	1	45	0.0	-80.61	360.38	6.53	-74.08
CC(C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[NH+]1CCCCC1	REAL300005023600	0	46	0.0	-74.16	351.28	9.90	-64.26
C[NH+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=CC=C1	REAL300005023601	1	40	0.0	-73.81	336.51	9.37	-64.44
O=C([O-])C1=CC=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300005023605	0	45	0.0	-76.47	375.56	7.34	-69.13
O=C([O-])C1=CC=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300005023605	1	45	0.0	-75.97	374.63	7.30	-68.67
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023611	1	41	0.0	-71.36	347.17	9.03	-62.33
C[NH+](C)CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)OC2=CC=CC=C21	REAL300005023612	0	43	0.0	-68.12	366.69	9.73	-58.39
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1Cl	REAL300005023618	0	44	0.0	-78.21	338.20	8.98	-69.23
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1Cl	REAL300005023618	1	44	0.0	-77.22	340.18	9.18	-68.04
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[NH+]1CCCCCC1	REAL300005023649	0	43	0.0	-73.59	331.24	8.31	-65.28
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C1N2	REAL300005023687	1	45	0.0	-81.86	374.66	9.79	-72.07
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C1N2	REAL300005023687	1	45	0.0	-81.65	374.55	9.79	-71.86
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300005023742	0	43	0.0	-81.08	360.72	9.07	-72.01
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1Cl	REAL300005023743	0	43	0.0	-78.50	353.10	9.19	-69.31
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)CC2)[NH+]=C1	REAL300005023745	1	46	0.0	-75.34	375.58	8.94	-66.40
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)CC1=CC=CC=C1	REAL300005023746	1	40	0.0	-82.98	338.42	9.48	-73.50
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)CC1=CC=CC=C1	REAL300005023746	1	40	0.0	-83.74	338.50	9.48	-74.26
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=NO1	REAL300005023799	1	36	0.0	-81.92	319.79	6.85	-75.07
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023803	0	47	0.0	-85.27	386.49	10.85	-74.42
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023803	1	47	0.0	-80.73	382.34	10.97	-69.76
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023820	0	40	0.0	-74.85	313.79	7.95	-66.90
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005023820	1	40	0.0	-72.00	320.46	8.00	-64.00
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300005023827	0	48	0.0	-84.15	404.17	10.33	-73.82
C[NH+]1CCC(OCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005023847	0	41	0.0	-83.94	341.72	7.89	-76.05
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1Cl	REAL300005023852	0	44	0.0	-81.19	366.77	9.47	-71.72
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)[C@@H](C(F)(F)F)C1	REAL300005023897	0	46	0.0	-81.03	375.82	9.07	-71.96
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)[C@@H](C(F)(F)F)C1	REAL300005023897	1	46	0.0	-78.89	374.15	9.12	-69.77
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005024050	0	43	0.0	-70.85	339.53	9.10	-61.75
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005024050	1	43	0.0	-76.54	345.77	8.89	-67.65
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005024083	0	43	0.0	-75.67	340.51	8.55	-67.12
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005024083	1	43	0.0	-72.57	346.12	8.97	-63.60
O=C([O-])C1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1Cl	REAL300005024084	1	41	0.0	-80.25	335.50	5.06	-75.19
O=C([O-])C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1Cl	REAL300005024186	0	48	0.0	-86.45	390.18	11.34	-75.11
O=C([O-])C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1Cl	REAL300005024186	1	48	0.0	-82.94	391.68	11.39	-71.55
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005024322	0	43	0.0	-69.91	334.68	8.86	-61.05
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005024322	1	43	0.0	-69.73	334.18	8.86	-60.87
C[N@@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(F)(F)F)C1	REAL300005024323	0	37	0.0	-86.51	325.41	7.63	-78.88
C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(F)(F)F)C1	REAL300005024323	1	37	0.0	-83.18	318.21	7.52	-75.66
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)N1	REAL300005024347	1	38	0.0	-73.36	332.00	7.17	-66.19
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300005024847	0	43	0.0	-78.95	362.01	10.21	-68.74
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300005024855	0	44	0.0	-81.80	369.64	9.14	-72.66
O=C([O-])C1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1Cl	REAL300005024957	0	50	0.0	-75.96	401.47	11.81	-64.15
CC1CN(CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CCO1	REAL300005024959	0	48	0.0	-86.05	386.90	9.54	-76.51
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CCO1	REAL300005024959	1	48	0.0	-86.08	387.28	9.53	-76.55
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CCO1	REAL300005024959	1	48	0.0	-86.08	387.28	9.53	-76.55
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300005025005	0	43	0.0	-70.60	334.00	8.58	-62.02
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=CN12	REAL300005025009	0	35	0.0	-72.94	313.29	9.16	-63.78
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005025073	0	46	0.0	-71.13	356.61	9.81	-61.32
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005025073	1	46	0.0	-76.69	363.04	9.60	-67.09
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005025074	0	40	0.0	-76.62	324.28	8.14	-68.48
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005025074	1	40	0.0	-70.25	317.53	8.34	-61.91
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300005025080	1	37	0.0	-83.93	324.88	7.60	-76.33
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005025086	0	46	0.0	-79.72	351.79	8.98	-70.74
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300005025086	1	46	0.0	-78.84	351.82	8.99	-69.85
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1Cl	REAL300005025089	1	39	0.0	-73.69	319.52	8.61	-65.08
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1Cl	REAL300005025089	1	39	0.0	-78.17	318.34	8.89	-69.28
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC3=C2OCCO3)C1	REAL300005025170	0	46	0.0	-49.80	360.06	6.61	-43.19
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC3=C2OCCO3)C1	REAL300005025170	1	46	0.0	-49.22	353.86	6.58	-42.64
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300005026536	0	51	0.0	-72.61	386.61	9.30	-63.31
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300005027313	0	48	0.0	-62.89	363.38	8.21	-54.68
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300005027313	1	48	0.0	-63.65	369.38	8.72	-54.93
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300005028115	1	48	0.0	-66.14	380.10	8.72	-57.42
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300005028115	1	48	0.0	-64.23	379.86	8.72	-55.51
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CCO[C@H](C(=O)[O-])C3)CN21	REAL300005028207	1	43	0.0	-61.50	333.74	6.83	-54.67
O=C([O-])[C@@H]1C[C@@H](NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCO1	REAL300005028208	0	51	0.0	-64.00	379.86	8.92	-55.08
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3CCO[C@H](C(=O)[O-])C3)CC2)=CS1	REAL300005028273	1	50	0.0	-71.12	393.48	6.99	-64.13
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300005028351	0	54	0.0	-72.47	419.46	8.82	-63.65
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)=C1	REAL300005028365	0	54	0.0	-76.49	420.37	11.15	-65.34
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)=C1	REAL300005028365	1	54	0.0	-76.22	420.32	11.16	-65.06
CC1(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005028366	0	54	0.0	-64.77	399.29	9.72	-55.05
C[NH+](C)CC1(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)CCCCC1	REAL300005028449	0	50	0.0	-63.48	349.98	7.69	-55.79
C[N@H+](CCC(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300005028452	0	50	0.0	-68.25	363.82	7.65	-60.60
C[N@@H+](CCC(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300005028452	1	50	0.0	-68.10	363.82	7.65	-60.45
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005028476	1	51	0.0	-65.01	390.43	9.27	-55.74
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005028476	1	51	0.0	-66.76	381.09	9.13	-57.63
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005028477	1	48	0.0	-67.08	369.77	8.26	-58.82
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005028477	1	48	0.0	-65.10	369.54	8.26	-56.84
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCO1	REAL300005028531	0	44	0.0	-69.88	354.65	6.71	-63.17
C[NH+](C)CCN1N=CC(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300005028536	0	54	0.0	-75.05	422.98	8.89	-66.16
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCCC[N@@H+]2C2CCCC2)CCO1	REAL300005028562	0	51	0.0	-59.31	362.35	7.86	-51.45
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCCC[N@H+]2C2CCCC2)CCO1	REAL300005028562	1	51	0.0	-60.78	358.09	8.00	-52.78
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCO1	REAL300005028563	0	52	0.0	-63.51	370.61	6.20	-57.31
O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL300005028591	1	48	0.0	-72.08	363.67	5.65	-66.43
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300005028593	0	53	0.0	-71.66	384.76	9.02	-62.64
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300005028593	1	53	0.0	-70.28	382.95	8.74	-61.54
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005028617	0	48	0.0	-69.30	369.97	8.56	-60.74
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005028617	1	48	0.0	-69.33	370.09	8.52	-60.81
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C3CCSC3)CC2)CCO1	REAL300005028618	0	49	0.0	-73.94	365.23	7.65	-66.29
C[NH+]1CCN(C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300005028641	1	53	0.0	-65.20	390.75	6.49	-58.71
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL300005028642	0	52	0.0	-68.40	358.45	5.76	-62.64
CC(C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300005028645	0	47	0.0	-64.14	360.38	8.08	-56.06
CC(C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005028645	1	47	0.0	-65.11	360.37	8.04	-57.07
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300005028655	0	54	0.0	-71.49	409.13	10.14	-61.35
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300005028655	1	54	0.0	-71.25	409.05	10.12	-61.13
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C=N1	REAL300005028686	0	43	0.0	-72.08	339.43	5.70	-66.38
CCC[NH+](CCC)CCCC(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL300005028697	0	52	0.0	-68.52	387.80	8.27	-60.25
O=C([O-])[C@@H]1C[C@@H](NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CCO1	REAL300005028698	1	52	0.0	-63.65	393.31	6.00	-57.65
CC[N@H+](C)C(C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300005028699	0	47	0.0	-62.42	358.56	8.19	-54.23
CC[N@@H+](C)C(C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300005028699	1	47	0.0	-60.37	357.99	8.21	-52.16
CC[NH+](CC)C(C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300005028704	0	50	0.0	-60.49	363.43	8.22	-52.27
C[NH+](C)C(C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005028710	1	44	0.0	-65.47	356.81	8.08	-57.39
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCO1	REAL300005028724	0	48	0.0	-73.12	369.46	8.75	-64.37
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCO1	REAL300005028731	0	51	0.0	-71.30	385.23	9.42	-61.88
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCO[C@H](C(=O)[O-])C3)CC2)CC1	REAL300005028737	0	59	0.0	-69.16	419.24	6.89	-62.27
CC1C[NH+](CC2=CC=C(C(=O)N[C@H]3CCO[C@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300005028744	1	55	0.0	-75.57	412.11	8.49	-67.08
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL300005028753	1	52	0.0	-75.50	399.68	8.60	-66.90
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL300005028753	1	52	0.0	-76.32	393.13	8.55	-67.77
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300005028767	0	51	0.0	-63.20	374.63	9.06	-54.14
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C[NH+](C)CC1=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005029251	0	47	0.0	-66.75	370.68	7.92	-58.83
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CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005036925	1	47	0.0	-50.14	387.35	10.95	-39.19
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CCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005036961	0	45	0.0	-66.09	365.22	8.76	-57.33
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CC(C(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCSCC1	REAL300005036983	1	47	0.0	-50.10	387.92	9.99	-40.11
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CCCCCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005036999	1	54	0.0	-67.35	429.71	11.10	-56.25
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C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCSC1	REAL300005037013	0	47	0.0	-57.68	393.60	10.24	-47.44
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCSC1	REAL300005037013	1	47	0.0	-57.14	392.27	10.26	-46.88
O=C([O-])CC(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=C(C(F)(F)F)C=C1	REAL300005037025	0	50	0.0	-58.36	390.43	10.14	-48.22
O=C([O-])CC(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=C(C(F)(F)F)C=C1	REAL300005037025	1	50	0.0	-58.66	390.63	10.14	-48.52
C[NH+](C)CCN1C=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300005037026	0	49	0.0	-78.41	410.32	8.86	-69.55
C[NH+](C)CCN1C=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300005037045	0	49	0.0	-73.50	417.48	9.66	-63.84
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037046	0	49	0.0	-73.79	395.23	10.45	-63.34
C[C@@H]1[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300005037048	0	46	0.0	-63.31	366.75	9.04	-54.27
C[C@@H]1[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@H+]1C	REAL300005037048	1	46	0.0	-63.92	374.37	9.22	-54.70
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037049	1	50	0.0	-63.47	411.88	10.54	-52.93
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300005037051	0	49	0.0	-61.71	389.88	9.75	-51.96
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@H+]1C	REAL300005037051	1	49	0.0	-58.79	393.58	10.37	-48.42
CC1C[N@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300005037055	1	47	0.0	-68.84	384.29	9.30	-59.54
CC1C[N@@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300005037055	1	47	0.0	-82.36	376.79	8.06	-74.30
O=C([O-])CC(NC(=O)C[NH+]1CCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300005037060	0	43	0.0	-51.66	358.46	9.17	-42.49
CC1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037062	1	41	0.0	-53.65	362.31	9.61	-44.04
CC(C[NH+]1CCOCC1)C(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037064	0	50	0.0	-69.88	396.97	8.02	-61.86
CC1CC[NH+](CC(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300005037081	0	49	0.0	-51.25	395.83	10.63	-40.62
CC[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037088	1	47	0.0	-78.85	380.85	8.45	-70.40
CC[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037088	1	47	0.0	-78.38	380.74	8.43	-69.95
C[N@@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037109	0	49	0.0	-59.46	396.45	10.34	-49.12
C[N@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037109	1	49	0.0	-59.10	394.29	10.11	-48.99
O=C([O-])CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=C(C(F)(F)F)C=C1	REAL300005037117	0	50	0.0	-60.86	393.64	10.25	-50.61
O=C([O-])CC(NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=C(C(F)(F)F)C=C1	REAL300005037117	1	50	0.0	-52.09	393.37	10.62	-41.47
CC[NH+](CC)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037128	0	45	0.0	-52.74	360.31	9.72	-43.02
CC(C)[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300005037130	0	52	0.0	-63.30	408.38	10.60	-52.70
O=C([O-])CC(NC(=O)C12CC[NH+](CC1)C2)C1=CC=C(C(F)(F)F)C=C1	REAL300005037174	0	44	0.0	-60.51	364.41	8.65	-51.86
CCC(C(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[NH+](C)C	REAL300005037177	0	45	0.0	-62.62	355.93	8.37	-54.25
O=C([O-])CC(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=C(C(F)(F)F)C=C1	REAL300005037183	0	47	0.0	-70.18	367.08	8.53	-61.65
O=C([O-])CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=C(C(F)(F)F)C=C1	REAL300005037183	1	47	0.0	-78.39	366.76	8.68	-69.71
CC1CCC(C)[NH+]1CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037207	0	49	0.0	-48.61	378.38	10.02	-38.59
C[NH+](C)CC1=CC=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300005037208	0	49	0.0	-73.07	404.11	10.81	-62.26
C#CC[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300005037238	0	48	0.0	-67.77	402.91	10.87	-56.90
CC(C)[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037239	0	45	0.0	-63.39	360.41	8.54	-54.85
CC(C)[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037239	1	45	0.0	-50.42	367.36	9.24	-41.18
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037243	1	50	0.0	-54.44	418.07	11.27	-43.17
CC[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300005037248	0	46	0.0	-62.51	375.13	9.39	-53.12
CC[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300005037248	1	46	0.0	-63.55	372.17	9.29	-54.26
CC(C(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCCCC1	REAL300005037261	0	52	0.0	-61.54	395.58	9.76	-51.78
C[N@@H+]1CCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037264	0	43	0.0	-63.10	351.77	8.37	-54.73
C[N@H+]1CCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037264	1	43	0.0	-46.95	352.67	8.68	-38.27
CC(C)(C)[NH2+]CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037300	0	45	0.0	-64.47	364.94	7.06	-57.41
O=C([O-])CC(NC(=O)CCCC[NH+]1CCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300005037301	0	52	0.0	-71.64	417.32	10.67	-60.97
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1	REAL300005037303	1	49	0.0	-70.33	402.65	10.94	-59.39
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1	REAL300005037303	1	49	0.0	-54.97	409.65	11.63	-43.34
C[NH+](C)CC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300005037328	1	45	0.0	-76.23	384.03	8.30	-67.93
CC(C)[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037337	0	49	0.0	-63.58	378.23	9.50	-54.08
CC(C)[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005037337	1	49	0.0	-50.55	391.99	10.14	-40.41
C[NH+]1CCC(OCC(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300005037347	0	50	0.0	-77.77	405.94	9.44	-68.33
CCC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037424	0	52	0.0	-67.58	409.40	10.32	-57.26
CCC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037424	1	52	0.0	-59.94	403.15	10.53	-49.41
O=C([O-])CC(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300005037436	1	50	0.0	-52.04	406.66	7.31	-44.73
CC(C)[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037531	0	52	0.0	-59.55	398.76	10.31	-49.24
CC(C)[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037531	1	52	0.0	-59.68	398.42	10.34	-49.34
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N1	REAL300005037544	1	47	0.0	-63.97	396.22	8.64	-55.33
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037828	0	46	0.0	-56.26	382.34	9.87	-46.39
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300005037832	0	52	0.0	-64.33	397.97	10.02	-54.31
CC1=[NH+]C=C2C=CC(C(=O)NC(CC(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=CN12	REAL300005037834	0	44	0.0	-57.96	384.55	11.31	-46.65
CC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037864	0	49	0.0	-55.92	394.97	10.31	-45.61
CC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037864	1	49	0.0	-57.36	395.37	10.27	-47.09
C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037869	0	46	0.0	-69.30	370.19	8.93	-60.37
C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005037869	1	46	0.0	-60.13	377.67	9.75	-50.38
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300005037871	1	46	0.0	-66.10	397.38	9.95	-56.15
O=C([O-])CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300005037878	0	48	0.0	-50.25	390.25	10.64	-39.61
O=C([O-])CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300005037878	1	48	0.0	-61.80	380.99	11.35	-50.45
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2CCCCO2)C1	REAL300005037940	0	51	0.0	-45.65	370.14	8.61	-37.04
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2CCCCO2)C1	REAL300005037940	1	51	0.0	-49.24	361.90	9.00	-40.24
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC2CCO)C1	REAL300005037994	0	45	0.0	-51.05	324.01	2.99	-48.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC2CCO)C1	REAL300005037994	1	45	0.0	-50.66	330.30	2.99	-47.67
CC1=CC=CN=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300005038079	0	54	0.0	-44.60	383.70	8.68	-35.92
CC1=CC=CN=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300005038079	1	54	0.0	-44.15	384.25	9.13	-35.02
CN1C=CN=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300005038179	0	50	0.0	-51.42	399.29	9.45	-41.97
CN1C=CN=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300005038179	1	50	0.0	-49.86	395.80	9.54	-40.32
CN1C=CN=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300005038267	0	50	0.0	-53.52	405.91	9.56	-43.96
CN1C=CN=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300005038267	1	50	0.0	-50.52	399.96	9.59	-40.93
CN(CC1=NN(C2=CC=CC=C2)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005038374	0	50	0.0	-50.52	393.80	10.61	-39.91
CN(CC1=NN(C2=CC=CC=C2)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005038374	1	50	0.0	-48.19	385.58	10.15	-38.04
CC(C)[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005039314	0	49	0.0	-74.58	370.17	9.43	-65.15
CC1=NC(C[NH+]2CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC2)=CS1	REAL300005040386	1	48	0.0	-72.39	379.11	7.44	-64.95
CC(C)[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005040421	0	52	0.0	-76.87	401.63	8.97	-67.90
CC(C)[C@H](NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005040426	0	52	0.0	-78.20	402.41	11.30	-66.90
CC(C)[C@H](NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005040426	1	52	0.0	-78.66	403.92	11.30	-67.36
CC(C)[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005040513	0	42	0.0	-79.15	337.71	6.91	-72.24
CC(C)[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005040530	0	50	0.0	-55.45	358.65	6.57	-48.88
CC[N@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)C)C=C1)C(C)C	REAL300005040542	0	51	0.0	-80.28	367.79	9.22	-71.06
CC[N@@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)C)C=C1)C(C)C	REAL300005040542	1	51	0.0	-79.92	366.77	9.12	-70.80
CC(C)[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005040556	0	46	0.0	-66.88	352.70	8.60	-58.28
CC(C)[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005040556	1	46	0.0	-66.62	358.42	8.90	-57.72
CC(C)[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005040557	0	47	0.0	-74.23	352.24	8.15	-66.08
CC(C)[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005040575	0	50	0.0	-68.01	346.39	6.12	-61.89
CC(C)[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005040582	0	52	0.0	-69.35	391.19	10.28	-59.07
CC(C)[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005040582	1	52	0.0	-67.28	391.18	10.28	-57.00
CC(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005040616	0	46	0.0	-81.18	352.06	8.85	-72.33
CC(C)[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005040619	0	49	0.0	-74.51	368.83	9.55	-64.96
CCN1CCC([NH+]2CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC2)CC1	REAL300005040625	0	57	0.0	-70.54	407.22	7.26	-63.28
CC(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300005040630	1	53	0.0	-83.71	406.49	8.82	-74.89
CC(C)[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005040639	1	50	0.0	-77.68	376.66	8.68	-69.00
CC(C)[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005040639	1	50	0.0	-75.26	383.45	8.73	-66.53
CC1=C(C(=O)N[C@H](C(=O)[O-])C(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300005040652	1	40	0.0	-79.85	327.68	6.31	-73.54
CC(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005040655	0	49	0.0	-79.71	370.30	9.79	-69.92
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CC(C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005044437	1	46	0.0	-60.23	366.85	10.02	-50.21
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CC(CN1C=CC=N1)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005048901	0	56	0.0	-69.25	430.13	11.56	-57.69
CC(CN1C=CC=N1)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005048901	1	56	0.0	-67.10	430.02	11.59	-55.51
C[NH+](C)CC1=CC=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300005048915	0	45	0.0	-81.68	355.98	7.52	-74.16
CCC[NH+](CCC)CCCC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005048922	0	54	0.0	-69.73	400.12	9.43	-60.30
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005048930	1	44	0.0	-58.30	347.70	8.20	-50.10
CC(CN1C=CC=N1)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005048944	0	50	0.0	-82.62	389.24	10.21	-72.41
CC(CN1C=CC=N1)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005048949	0	53	0.0	-74.77	406.12	10.88	-63.89
CCN1CCC([NH+]2CCC(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])CC2)CC1	REAL300005048954	0	61	0.0	-67.97	437.19	8.26	-59.71
CC(CN1C=CC=N1)(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005048973	1	54	0.0	-80.93	409.55	9.72	-71.21
CC(CN1C=CC=N1)(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005048973	1	54	0.0	-73.63	420.61	9.86	-63.77
CC1=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005048988	1	44	0.0	-79.79	361.59	7.38	-72.41
CC(CN1C=CC=N1)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005048991	0	53	0.0	-86.01	401.45	10.81	-75.20
CC(CN1C=CC=N1)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300005049002	1	46	0.0	-77.08	369.81	7.64	-69.44
C[NH+](C)CCC1=CC=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300005049003	0	49	0.0	-86.80	386.92	9.91	-76.89
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049009	1	42	0.0	-60.34	331.33	6.49	-53.85
CC(CN1C=CC=N1)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005049010	1	51	0.0	-67.53	400.50	9.21	-58.32
CC(CN1C=CC=N1)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005049010	1	51	0.0	-76.17	400.53	9.23	-66.94
CC(C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005049019	0	59	0.0	-57.88	444.36	12.00	-45.88
C[N@H+](CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC(C)(C)C	REAL300005049059	0	48	0.0	-54.23	353.85	7.89	-46.34
C[N@@H+](CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC(C)(C)C	REAL300005049059	1	48	0.0	-59.14	352.18	8.00	-51.14
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049061	0	49	0.0	-62.20	381.18	9.87	-52.33
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049061	1	49	0.0	-57.84	385.52	9.90	-47.94
COCCOCC[N@H+](C)CCC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049062	0	53	0.0	-64.30	414.52	6.14	-58.16
COCCOCC[N@@H+](C)CCC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049062	1	53	0.0	-69.58	410.22	6.12	-63.46
C[N@@H+]1CCCC(O)(CC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005049065	0	47	0.0	-65.66	353.85	5.55	-60.11
C[N@H+]1CCCC(O)(CC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005049065	1	47	0.0	-54.97	356.31	5.53	-49.44
CC(CN1C=CC=N1)(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005049075	0	58	0.0	-74.57	436.34	9.64	-64.93
CCCCCC[N@H+](C)CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049077	0	51	0.0	-60.99	385.78	9.18	-51.81
CCCCCC[N@@H+](C)CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049077	1	51	0.0	-56.48	390.11	9.21	-47.27
CC(CN1C=CC=N1)(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300005049091	1	38	0.0	-77.32	316.83	9.06	-68.26
C[N@H+](CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CCSC1	REAL300005049106	0	44	0.0	-65.30	341.54	7.65	-57.65
C[N@@H+](CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CCSC1	REAL300005049106	1	44	0.0	-58.98	345.66	7.71	-51.27
CC(C)[NH+]1CCN(CCC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049119	0	54	0.0	-73.75	397.39	6.67	-67.08
CC(C)N1CC[NH+](CCC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049119	1	54	0.0	-62.78	398.07	6.49	-56.29
CC(C)[NH+]1CCN(CCCC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049120	0	57	0.0	-71.48	423.13	7.53	-63.95
CC(C)N1CC[NH+](CCCC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049120	1	57	0.0	-67.14	419.57	7.28	-59.86
CC(CN1C=CC=N1)(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300005049121	0	47	0.0	-55.64	340.53	7.84	-47.80
CC(CN1C=CC=N1)(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300005049121	1	47	0.0	-58.93	336.16	7.79	-51.14
C[NH+](C)CCN1C=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300005049123	0	46	0.0	-82.18	366.35	7.02	-75.16
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])CC2)=C1	REAL300005049126	0	58	0.0	-69.96	436.26	9.50	-60.46
CC(CN1C=CC=N1)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005049128	0	55	0.0	-69.95	414.84	8.83	-61.12
CC(CN1C=CC=N1)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005049130	0	52	0.0	-64.43	389.01	8.96	-55.47
CC(CN1C=CC=N1)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005049130	1	52	0.0	-56.88	393.38	8.87	-48.01
CC(C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005049135	1	50	0.0	-57.93	379.15	9.81	-48.12
CC(C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005049135	1	50	0.0	-56.08	381.49	9.98	-46.10
CC(CN1C=CC=N1)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005049155	0	53	0.0	-74.95	407.06	10.70	-64.25
CC(CN1C=CC=N1)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005049155	1	53	0.0	-73.81	405.58	10.61	-63.20
C[NH+](C)CCN1C=CC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300005049169	0	46	0.0	-88.06	371.08	7.06	-81.00
C[NH+](C)CCN1N=CC=C1C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049170	0	46	0.0	-54.28	365.98	6.85	-47.43
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049171	1	47	0.0	-63.04	368.00	8.64	-54.40
CC[C@@H]1[C@@H](C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC[N@@H+]1C	REAL300005049174	0	46	0.0	-68.58	338.98	7.12	-61.46
CC[C@@H]1[C@@H](C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC[N@H+]1C	REAL300005049174	1	46	0.0	-67.69	343.92	7.47	-60.22
CC1C[N@H+](C)CC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])O1	REAL300005049184	1	44	0.0	-77.97	338.21	6.35	-71.62
CC1C[N@@H+](C)CC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])O1	REAL300005049184	1	44	0.0	-78.89	333.30	5.89	-73.00
CC(CN1C=CC=N1)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005049188	0	53	0.0	-66.30	413.94	10.77	-55.53
CC(CN1C=CC=N1)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005049188	1	53	0.0	-55.65	404.92	10.80	-44.85
CC(C[NH+]1CCOCC1)C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049193	1	47	0.0	-67.99	353.36	6.22	-61.77
CC(CN1C=CC=N1)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005049194	0	54	0.0	-70.46	412.60	8.25	-62.21
CC1CC[NH+](CC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049204	0	46	0.0	-55.84	349.45	7.93	-47.91
CC[N@@H+]1CCOC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005049217	1	44	0.0	-68.89	341.57	6.30	-62.59
CC[N@H+]1CCOC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005049217	1	44	0.0	-75.36	341.56	6.31	-69.05
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049248	1	53	0.0	-72.98	408.11	9.11	-63.87
CC(CN1C=CC=N1)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005049249	0	53	0.0	-66.01	387.47	9.41	-56.60
CC(CN1C=CC=N1)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005049249	1	53	0.0	-68.31	387.38	9.38	-58.93
C[N@@H+]1CCCC1CCC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049255	0	46	0.0	-70.54	345.54	7.85	-62.69
C[N@H+]1CCCC1CCC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049255	1	46	0.0	-67.65	348.10	7.57	-60.08
CC(CN1C=CC=N1)(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300005049267	0	47	0.0	-56.71	342.90	7.86	-48.85
CC(CN1C=CC=N1)(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300005049267	1	47	0.0	-61.01	342.69	7.84	-53.17
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])=C2)CC1	REAL300005049281	0	55	0.0	-76.90	423.23	8.45	-68.45
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C=C2)CC1	REAL300005049282	0	55	0.0	-81.85	422.27	8.27	-73.58
CN1CC[NH+](CC2=CC=C(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C=C2)CC1	REAL300005049282	1	55	0.0	-86.78	418.27	8.31	-78.47
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300005049283	0	56	0.0	-81.97	425.58	9.90	-72.07
CC(C)[NH+]1CCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049291	0	49	0.0	-67.70	365.19	8.39	-59.31
CC(CN1C=CC=N1)(NC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300005049364	0	44	0.0	-71.44	323.56	6.72	-64.72
CC(CN1C=CC=N1)(NC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300005049364	1	44	0.0	-76.65	327.13	6.89	-69.76
CC1CCC(C)[NH+]1CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049404	0	46	0.0	-57.19	339.17	7.33	-49.86
C[NH+](C)CC1=CC=CC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=C1	REAL300005049405	0	46	0.0	-74.83	364.60	9.03	-65.80
CC(CN1C=CC=N1)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005049406	0	53	0.0	-58.34	394.06	10.73	-47.61
CC(CN1C=CC=N1)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005049406	1	53	0.0	-61.96	407.49	10.72	-51.24
C#CC[NH+]1CCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049457	0	45	0.0	-78.43	351.79	8.36	-70.07
CC[NH+]1CCN(CCC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049459	0	51	0.0	-75.53	380.15	6.12	-69.41
CCN1CC[NH+](CCC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049459	1	51	0.0	-66.24	380.66	6.15	-60.09
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049466	1	47	0.0	-59.79	371.69	8.71	-51.08
CC(C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[NH+]1CCCCCC1	REAL300005049497	0	49	0.0	-54.86	357.74	8.25	-46.61
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])=CC=C1N2	REAL300005049531	1	51	0.0	-83.13	399.44	9.43	-73.70
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])=CC=C1N2	REAL300005049531	1	51	0.0	-83.51	399.42	9.44	-74.07
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])O1	REAL300005049574	0	49	0.0	-79.45	382.37	8.72	-70.73
CC(CN1C=CC=N1)(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300005049575	0	49	0.0	-70.65	377.73	8.83	-61.82
CC1=CC=C(N2CCC(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])CC2)[NH+]=C1	REAL300005049577	1	52	0.0	-73.21	396.06	8.58	-64.63
C[N@H+](CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC1=CC=CC=C1	REAL300005049578	1	46	0.0	-58.13	363.05	9.04	-49.09
C[N@@H+](CC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC1=CC=CC=C1	REAL300005049578	1	46	0.0	-63.28	358.70	9.01	-54.27
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C=C2)CC1	REAL300005049582	0	58	0.0	-86.03	428.20	9.38	-76.65
CC(CN1C=CC=N1)(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005049598	1	41	0.0	-79.97	341.34	6.97	-73.00
C[NH+](C)CC1=CC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=NO1	REAL300005049622	1	42	0.0	-79.05	344.50	6.52	-72.53
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049626	0	53	0.0	-70.26	403.68	10.52	-59.74
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049626	1	53	0.0	-68.27	396.96	10.25	-58.02
CC(C)[N@@H+]1CCCC1C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049644	0	46	0.0	-57.56	340.25	7.52	-50.04
CC(C)[N@H+]1CCCC1C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300005049644	1	46	0.0	-65.48	325.65	7.87	-57.61
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300005049651	0	54	0.0	-86.72	424.53	9.99	-76.73
C[NH+]1CCC(OCC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005049666	0	47	0.0	-81.16	362.01	7.22	-73.94
CC(CN1C=CC=N1)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005049671	0	50	0.0	-80.74	387.12	9.14	-71.60
CCC[N@@H+]1CCCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005049819	0	49	0.0	-67.35	365.80	8.51	-58.84
CCC[N@H+]1CCCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005049819	1	49	0.0	-53.49	356.70	8.57	-44.92
CC(CN1C=CC=N1)(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300005049847	1	47	0.0	-56.28	360.06	4.66	-51.62
CC(C)[N@@H+]1CCCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005050031	0	49	0.0	-66.10	360.92	8.30	-57.80
CC(C)[N@H+]1CCCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005050031	1	49	0.0	-55.97	358.92	8.45	-47.52
C[N@@H+]1CC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005050032	0	43	0.0	-77.66	350.65	7.25	-70.41
C[N@H+]1CC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005050032	1	43	0.0	-66.02	332.35	7.50	-58.52
CC1=C(C)[NH+]=C(CCC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])N1	REAL300005050054	1	44	0.0	-59.47	356.64	6.81	-52.66
C[NH+](C)CCC1=CC=CC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=C1	REAL300005050451	0	49	0.0	-78.41	387.03	9.87	-68.54
C[NH+](C)CCOC1=CC=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300005050459	0	50	0.0	-84.11	394.23	8.83	-75.28
CC(CN1C=CC=N1)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005050552	0	56	0.0	-64.71	426.11	11.38	-53.33
CC1C[N@H+](CC2=CC=C(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C=C2)CCO1	REAL300005050554	1	54	0.0	-87.92	407.49	9.18	-78.74
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C=C2)CCO1	REAL300005050554	1	54	0.0	-88.04	407.54	9.18	-78.86
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300005050584	0	49	0.0	-51.88	355.24	8.04	-43.84
CC1=[NH+]C=C2C=CC(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])=CN21	REAL300005050588	0	41	0.0	-68.76	333.60	8.80	-59.96
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005050638	0	52	0.0	-51.25	378.17	9.34	-41.91
CC(C)C[N@H+]1CCCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005050638	1	52	0.0	-67.34	383.47	9.21	-58.13
CC[N@@H+]1CCCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005050639	0	46	0.0	-62.50	348.51	7.82	-54.68
CC[N@H+]1CCCC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300005050639	1	46	0.0	-65.42	344.27	7.78	-57.64
C[NH+](C)CC1=CC=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])O1	REAL300005050645	1	43	0.0	-79.45	350.97	7.36	-72.09
CC(CN1C=CC=N1)(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300005050653	1	45	0.0	-67.63	340.25	8.19	-59.44
CC(CN1C=CC=N1)(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300005050653	1	45	0.0	-62.23	335.79	8.27	-53.96
O=C([O-])C(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)CC1CCCC1	REAL300005051897	0	59	0.0	-65.13	441.51	11.99	-53.14
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC1CCCC1	REAL300005052598	0	56	0.0	-53.11	418.21	10.86	-42.25
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC1CCCC1	REAL300005052598	1	56	0.0	-50.69	417.52	11.22	-39.47
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)CC1CCCC1	REAL300005053446	1	56	0.0	-55.68	434.95	11.38	-44.30
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)CC1CCCC1	REAL300005053446	1	56	0.0	-53.41	430.73	11.54	-41.87
O=C([O-])C(CNC(=O)C1CC[NH+](C2CC2)CC1)CC1CCCC1	REAL300005053530	0	53	0.0	-60.01	394.21	9.82	-50.19
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CC1)CC1CCCC1	REAL300005053560	0	50	0.0	-51.43	377.88	9.25	-42.18
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CC1)CC1CCCC1	REAL300005053560	1	50	0.0	-50.13	366.42	8.91	-41.22
CC1=[NH+]C=C2CCC(C(=O)NCC(CC3CCCC3)C(=O)[O-])CN21	REAL300005053566	1	51	0.0	-56.34	388.00	9.50	-46.84
O=C([O-])C(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC1CCCC1	REAL300005053567	0	59	0.0	-56.96	441.93	11.99	-44.97
CC1=NC(C[NH+]2CCC(C(=O)NCC(CC3CCCC3)C(=O)[O-])CC2)=CS1	REAL300005053645	1	58	0.0	-62.57	443.60	9.95	-52.62
CC(C(=O)NCC(CC1CCCC1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005053646	1	54	0.0	-64.63	387.05	6.42	-58.21
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(CC2CCCC2)C(=O)[O-])C=C1	REAL300005053732	0	62	0.0	-70.96	467.85	11.34	-59.62
CC1(C(=O)NCC(CC2CCCC2)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300005053745	0	62	0.0	-52.60	454.13	12.41	-40.19
O=C([O-])C(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)CC1CCCC1	REAL300005053802	0	44	0.0	-63.67	348.94	10.17	-53.50
C[NH+](C)CC1(C(=O)NCC(CC2CCCC2)C(=O)[O-])CCCCC1	REAL300005053834	0	58	0.0	-46.07	397.91	10.39	-35.68
C[N@H+](CCC(=O)NCC(CC1CCCC1)C(=O)[O-])C1CCCCC1	REAL300005053839	0	58	0.0	-60.47	418.77	10.34	-50.13
C[N@@H+](CCC(=O)NCC(CC1CCCC1)C(=O)[O-])C1CCCCC1	REAL300005053839	1	58	0.0	-55.74	413.12	10.44	-45.30
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)CC1CCCC1	REAL300005053860	1	59	0.0	-46.32	439.04	12.17	-34.15
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)CC1CCCC1	REAL300005053860	1	59	0.0	-52.12	439.06	12.13	-39.99
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CC1CCCC1	REAL300005053861	1	56	0.0	-52.27	418.98	11.02	-41.25
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CC1CCCC1	REAL300005053861	1	56	0.0	-54.59	418.12	10.76	-43.83
O=C([O-])C(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)CC1CCCC1	REAL300005053915	0	52	0.0	-65.28	404.28	9.54	-55.74
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)CC1CCCC1	REAL300005053940	0	59	0.0	-50.71	418.32	10.55	-40.16
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1C1CCCC1)CC1CCCC1	REAL300005053940	1	59	0.0	-47.74	413.83	10.71	-37.03
O=C([O-])C(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)CC1CCCC1	REAL300005053941	0	60	0.0	-61.61	420.30	9.08	-52.53
CC1=[NH+]C=CN1CCCC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005053972	1	50	0.0	-60.02	384.76	9.50	-50.52
O=C(CCCC[NH+]1CCOCC1)NCC(CC1CCCC1)C(=O)[O-]	REAL300005053973	1	56	0.0	-68.25	418.62	8.35	-59.90
CC[N@H+](CC1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C=C1)C(C)C	REAL300005053975	0	61	0.0	-64.62	437.35	11.87	-52.75
CC[N@@H+](CC1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C=C1)C(C)C	REAL300005053975	1	61	0.0	-70.07	437.82	11.43	-58.64
O=C([O-])C(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)CC1CCCC1	REAL300005054003	0	56	0.0	-60.93	423.44	11.14	-49.79
O=C([O-])C(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)CC1CCCC1	REAL300005054003	1	56	0.0	-60.21	418.27	11.08	-49.13
O=C([O-])C(CNC(=O)C1CC[NH+](C2CCSC2)CC1)CC1CCCC1	REAL300005054004	0	57	0.0	-65.33	417.81	10.82	-54.51
C[NH+]1CCN(C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300005054032	1	61	0.0	-59.42	448.11	10.13	-49.29
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054033	0	60	0.0	-59.91	415.52	8.53	-51.38
CCC(C(=O)NCC(CC1CCCC1)C(=O)[O-])[NH+](CC)CC	REAL300005054037	0	54	0.0	-46.17	380.91	9.32	-36.85
CC(C(=O)NCC(CC1CCCC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005054039	0	55	0.0	-56.39	415.35	10.72	-45.67
CC(C(=O)NCC(CC1CCCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005054039	1	55	0.0	-52.66	409.61	10.92	-41.74
O=C([O-])C(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)CC1CCCC1	REAL300005054049	0	62	0.0	-56.61	457.79	13.00	-43.61
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)CC1CCCC1	REAL300005054049	1	62	0.0	-60.23	458.35	12.89	-47.34
C[NH+](C)CC1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C=N1	REAL300005054075	0	51	0.0	-69.77	387.74	8.23	-61.54
CCC[NH+](CCC)CCCC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054085	0	60	0.0	-63.20	442.92	10.97	-52.23
O=C([O-])C(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)CC1CCCC1	REAL300005054086	1	60	0.0	-54.02	447.86	8.70	-45.32
CC[N@H+](C)C(C(=O)NCC(CC1CCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300005054087	0	55	0.0	-55.68	407.72	10.70	-44.98
CC[N@@H+](C)C(C(=O)NCC(CC1CCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300005054087	1	55	0.0	-44.25	406.25	11.07	-33.18
CC[NH+](CC)C(C(=O)NCC(CC1CCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300005054092	0	58	0.0	-50.84	414.74	11.54	-39.30
CC(C)C1=[NH+]C=CN1CC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054100	1	50	0.0	-52.90	386.01	9.47	-43.43
C[NH+](C)C(C(=O)NCC(CC1CCCC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005054104	1	52	0.0	-52.65	411.82	10.77	-41.88
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)CC1CCCC1	REAL300005054117	0	56	0.0	-70.08	418.06	11.59	-58.49
O=C([O-])C(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)CC1CCCC1	REAL300005054124	0	59	0.0	-68.01	438.50	12.03	-55.98
CCN1CCC([NH+]2CCC(C(=O)NCC(CC3CCCC3)C(=O)[O-])CC2)CC1	REAL300005054130	0	67	0.0	-57.53	464.91	9.65	-47.88
O=C([O-])C(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)CC1CCCC1	REAL300005054150	1	60	0.0	-65.35	441.55	11.42	-53.93
O=C([O-])C(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)CC1CCCC1	REAL300005054150	1	60	0.0	-68.66	446.37	11.17	-57.49
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC1CCCC1	REAL300005054164	0	59	0.0	-43.65	432.70	12.08	-31.57
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC1CCCC1	REAL300005054164	1	59	0.0	-49.23	424.30	11.62	-37.61
CC1=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005054166	1	50	0.0	-74.39	394.37	8.55	-65.84
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)CC1CCCC1	REAL300005054174	0	59	0.0	-72.43	439.77	12.05	-60.38
O=C([O-])C(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)CC1CCCC1	REAL300005054187	1	52	0.0	-73.90	397.20	8.67	-65.23
C[NH+](C)CCC1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C=C1	REAL300005054188	0	55	0.0	-74.35	415.74	11.29	-63.06
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054200	1	48	0.0	-50.67	363.09	7.65	-43.02
O=C([O-])C(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)CC1CCCC1	REAL300005054201	1	57	0.0	-65.36	434.76	10.78	-54.58
O=C([O-])C(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)CC1CCCC1	REAL300005054201	1	57	0.0	-56.26	428.08	10.61	-45.65
CC(C(=O)NCC(CC1CCCC1)C(=O)[O-])[NH+]1CCSCC1	REAL300005054257	1	50	0.0	-50.10	369.94	8.77	-41.33
C[N@H+](CC(=O)NCC(CC1CCCC1)C(=O)[O-])CC(C)(C)C	REAL300005054263	0	54	0.0	-49.18	382.27	9.34	-39.84
C[N@@H+](CC(=O)NCC(CC1CCCC1)C(=O)[O-])CC(C)(C)C	REAL300005054263	1	54	0.0	-49.09	384.35	9.51	-39.58
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054265	0	55	0.0	-58.54	419.49	11.20	-47.34
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054265	1	55	0.0	-53.26	413.13	11.37	-41.89
COCCOCC[N@H+](C)CCC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054266	0	59	0.0	-59.12	441.95	7.20	-51.92
COCCOCC[N@@H+](C)CCC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054266	1	59	0.0	-61.38	448.54	7.38	-54.00
C[N@@H+]1CCCC(O)(CC(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005054270	0	53	0.0	-56.77	381.00	6.91	-49.86
C[N@H+]1CCCC(O)(CC(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005054270	1	53	0.0	-55.99	390.67	7.10	-48.89
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CC1CCCC1	REAL300005054287	1	58	0.0	-52.04	434.03	10.14	-41.90
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CC1CCCC1	REAL300005054287	1	58	0.0	-52.77	419.30	9.89	-42.88
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CC1CCCC1	REAL300005054288	1	58	0.0	-46.44	428.59	10.16	-36.28
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CC1CCCC1	REAL300005054288	1	58	0.0	-53.68	428.30	10.22	-43.46
CCCCCC[N@H+](C)CC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054290	0	57	0.0	-54.35	417.51	10.34	-44.01
CCCCCC[N@@H+](C)CC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054290	1	57	0.0	-52.36	418.82	10.71	-41.65
O=C([O-])C(CNC(=O)C12CCC[NH+]1CCC2)CC1CCCC1	REAL300005054300	0	50	0.0	-48.84	365.09	8.74	-40.10
O=C([O-])C(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)CC1CCCC1	REAL300005054308	1	44	0.0	-64.66	345.15	10.35	-54.31
C[N@H+](CC(=O)NCC(CC1CCCC1)C(=O)[O-])C1CCSC1	REAL300005054325	0	50	0.0	-52.77	374.71	9.16	-43.61
C[N@@H+](CC(=O)NCC(CC1CCCC1)C(=O)[O-])C1CCSC1	REAL300005054325	1	50	0.0	-56.21	373.13	8.81	-47.40
CC(C)[NH+]1CCN(CCC(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005054340	0	60	0.0	-61.57	430.45	8.13	-53.44
CC(C)N1CC[NH+](CCC(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005054340	1	60	0.0	-60.16	432.02	7.73	-52.43
CC(C)[NH+]1CCN(CCCC(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005054341	0	63	0.0	-61.25	451.94	8.93	-52.32
CC(C)N1CC[NH+](CCCC(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005054341	1	63	0.0	-63.65	453.52	8.51	-55.14
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@@H+]21)CC1CCCC1	REAL300005054342	0	53	0.0	-46.43	380.22	9.79	-36.64
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@H+]21)CC1CCCC1	REAL300005054342	1	53	0.0	-48.00	383.26	9.52	-38.48
C[NH+](C)CCN1C=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C=N1	REAL300005054344	0	52	0.0	-74.54	404.67	8.24	-66.30
O=C([O-])C(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)CC1CCCC1	REAL300005054353	0	61	0.0	-60.45	447.89	10.29	-50.16
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)CC1CCCC1	REAL300005054356	0	58	0.0	-64.92	436.45	10.17	-54.75
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)CC1CCCC1	REAL300005054356	1	58	0.0	-64.12	434.74	10.02	-54.10
CC(C(=O)NCC(CC1CCCC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005054361	1	56	0.0	-50.33	412.40	10.94	-39.39
CC(C(=O)NCC(CC1CCCC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005054361	1	56	0.0	-54.76	415.42	11.31	-43.45
O=C([O-])C(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)CC1CCCC1	REAL300005054385	0	59	0.0	-65.60	440.10	11.85	-53.75
O=C([O-])C(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)CC1CCCC1	REAL300005054385	1	59	0.0	-65.22	443.57	11.93	-53.29
C[NH+](C)CCN1C=CC(C(=O)NCC(CC2CCCC2)C(=O)[O-])=N1	REAL300005054400	0	52	0.0	-74.78	403.46	8.18	-66.60
C[NH+](C)CCN1N=CC=C1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054401	0	52	0.0	-60.01	393.28	8.07	-51.94
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054407	1	53	0.0	-55.66	406.32	9.96	-45.70
CC[C@@H]1[C@@H](C(=O)NCC(CC2CCCC2)C(=O)[O-])CC[N@@H+]1C	REAL300005054410	0	52	0.0	-58.47	373.94	8.55	-49.92
CC[C@@H]1[C@@H](C(=O)NCC(CC2CCCC2)C(=O)[O-])CC[N@H+]1C	REAL300005054410	1	52	0.0	-58.49	376.99	8.67	-49.82
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054414	1	48	0.0	-45.69	361.39	8.71	-36.98
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054414	1	48	0.0	-49.86	369.44	9.11	-40.75
CC1C[N@H+](C)CC(C(=O)NCC(CC2CCCC2)C(=O)[O-])O1	REAL300005054422	1	50	0.0	-60.36	365.34	7.61	-52.75
CC1C[N@@H+](C)CC(C(=O)NCC(CC2CCCC2)C(=O)[O-])O1	REAL300005054422	1	50	0.0	-61.05	378.96	7.94	-53.11
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)CC1CCCC1	REAL300005054428	0	59	0.0	-62.75	444.64	12.08	-50.67
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)CC1CCCC1	REAL300005054428	1	59	0.0	-63.90	441.30	11.84	-52.06
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)CC1CCCC1	REAL300005054429	1	55	0.0	-49.69	414.65	9.68	-40.01
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)CC1CCCC1	REAL300005054429	1	55	0.0	-54.35	414.30	9.43	-44.92
CC(C[NH+]1CCOCC1)C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054434	0	53	0.0	-60.72	389.59	7.39	-53.33
O=C([O-])C(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)CC1CCCC1	REAL300005054435	0	60	0.0	-62.29	444.35	9.34	-52.95
CC1CC[NH+](CC(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005054445	0	52	0.0	-49.30	376.88	9.43	-39.87
CC[N@@H+]1CCOC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005054460	1	50	0.0	-60.43	368.44	7.68	-52.75
CC[N@H+]1CCOC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005054460	1	50	0.0	-60.38	369.15	8.04	-52.34
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005054499	1	59	0.0	-69.46	437.89	10.19	-59.27
O=C([O-])C(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)CC1CCCC1	REAL300005054500	0	59	0.0	-57.94	425.05	10.63	-47.31
O=C([O-])C(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)CC1CCCC1	REAL300005054500	1	59	0.0	-58.76	419.12	10.47	-48.29
C[N@@H+]1CCCC1CCC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054507	0	52	0.0	-63.09	387.76	9.24	-53.85
C[N@H+]1CCCC1CCC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054507	1	52	0.0	-60.81	375.86	8.62	-52.19
O=C([O-])C(CNC(=O)C12CCC[NH+](CCC1)C2)CC1CCCC1	REAL300005054520	0	53	0.0	-65.74	377.75	8.96	-56.78
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054524	0	50	0.0	-59.85	369.11	4.85	-55.00
C[N@H+]1CC(O)CC1(C)C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054524	1	50	0.0	-49.09	368.10	4.83	-44.26
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@@H+]21)CC1CCCC1	REAL300005054525	0	53	0.0	-49.48	376.03	9.33	-40.15
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@H+]21)CC1CCCC1	REAL300005054525	1	53	0.0	-51.23	388.14	9.69	-41.54
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054533	0	56	0.0	-55.29	401.17	7.84	-47.45
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC(CC2CCCC2)C(=O)[O-])C=N1	REAL300005054538	0	59	0.0	-68.39	423.01	8.78	-59.61
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC(CC2CCCC2)C(=O)[O-])C=N1	REAL300005054538	1	59	0.0	-72.60	431.48	9.01	-63.59
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC(CC3CCCC3)C(=O)[O-])=C2)CC1	REAL300005054543	0	61	0.0	-71.32	451.48	9.74	-61.58
C[NH+]1CCN(CC2=CC=C(C(=O)NCC(CC3CCCC3)C(=O)[O-])C=C2)CC1	REAL300005054544	0	61	0.0	-73.23	450.55	9.50	-63.73
CN1CC[NH+](CC2=CC=C(C(=O)NCC(CC3CCCC3)C(=O)[O-])C=C2)CC1	REAL300005054544	1	61	0.0	-72.62	450.02	9.38	-63.24
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C=C1	REAL300005054545	0	62	0.0	-68.05	453.86	11.29	-56.76
CC(C)[NH+]1CCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005054553	0	55	0.0	-61.46	389.03	9.21	-52.25
O=C([O-])C(CNC(=O)C12CC[N@H+](C1)CCC2)CC1CCCC1	REAL300005054640	0	50	0.0	-56.17	357.01	8.17	-48.00
O=C([O-])C(CNC(=O)C12CC[N@@H+](C1)CCC2)CC1CCCC1	REAL300005054640	1	50	0.0	-64.77	361.96	7.97	-56.80
CC1CCC(C)[NH+]1CC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054693	0	52	0.0	-47.82	371.80	8.96	-38.86
C[NH+](C)CC1=CC=CC(C(=O)NCC(CC2CCCC2)C(=O)[O-])=C1	REAL300005054694	0	52	0.0	-70.96	398.52	10.25	-60.71
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)CC1CCCC1	REAL300005054695	0	59	0.0	-59.93	435.02	11.77	-48.16
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)CC1CCCC1	REAL300005054695	1	59	0.0	-60.31	439.88	11.87	-48.44
C#CC[NH+]1CCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005054765	0	51	0.0	-65.27	389.65	9.56	-55.71
CCC[N@@H+]1CCCCC1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054767	0	55	0.0	-55.45	392.57	9.58	-45.87
CCC[N@H+]1CCCCC1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054767	1	55	0.0	-49.87	388.17	9.70	-40.17
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054768	0	52	0.0	-55.93	389.61	10.41	-45.52
CC[NH+]1CCN(CCC(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005054770	0	57	0.0	-60.75	412.10	7.55	-53.20
CCN1CC[NH+](CCC(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005054770	1	57	0.0	-56.41	413.70	7.61	-48.80
CC(C)C(C(=O)NCC(CC1CCCC1)C(=O)[O-])[NH+]1CCCCC1	REAL300005054772	0	58	0.0	-49.03	405.46	10.65	-38.38
C[NH+](C)C(C(=O)NCC(CC1CCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300005054773	1	52	0.0	-55.45	395.05	10.24	-45.21
O=C([O-])C(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)CC1CCCC1	REAL300005054777	0	57	0.0	-56.27	426.76	8.01	-48.26
O=C([O-])C(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)CC1CCCC1	REAL300005054777	1	57	0.0	-56.03	427.52	8.06	-47.97
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054783	1	53	0.0	-55.77	405.77	9.91	-45.86
C[NH+](C)CC1=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])OC2=CC=CC=C21	REAL300005054784	0	55	0.0	-62.47	424.11	10.52	-51.95
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CCCC1)CC1CCCC1	REAL300005054790	0	56	0.0	-51.28	391.24	10.20	-41.08
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CCCC1)CC1CCCC1	REAL300005054790	1	56	0.0	-53.46	391.46	10.02	-43.44
CC(C)C(C(=O)NCC(CC1CCCC1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005054820	1	62	0.0	-44.31	435.92	9.41	-34.90
CC(C(=O)NCC(CC1CCCC1)C(=O)[O-])[NH+]1CCCCCC1	REAL300005054821	0	55	0.0	-52.54	391.45	9.54	-43.00
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(CC3CCCC3)C(=O)[O-])=CC=C1N2	REAL300005054859	1	57	0.0	-76.89	426.74	10.51	-66.38
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(CC3CCCC3)C(=O)[O-])=CC=C1N2	REAL300005054859	1	57	0.0	-76.10	432.14	10.59	-65.51
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])O1	REAL300005054914	0	55	0.0	-64.43	416.32	10.06	-54.37
O=C([O-])C(CNC(=O)CCCC[NH+]1CCCC1)CC1CCCC1	REAL300005054915	0	55	0.0	-63.89	405.12	9.90	-53.99
CC1=CC=C(N2CCC(C(=O)NCC(CC3CCCC3)C(=O)[O-])CC2)[NH+]=C1	REAL300005054917	1	58	0.0	-62.19	434.40	9.83	-52.36
C[N@H+](CC(=O)NCC(CC1CCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300005054918	1	52	0.0	-52.20	390.65	10.52	-41.68
C[N@@H+](CC(=O)NCC(CC1CCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300005054918	1	52	0.0	-55.65	390.50	10.18	-45.47
O=C([O-])C(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)CC1CCCC1	REAL300005054940	1	47	0.0	-70.25	374.01	8.28	-61.97
C[NH+](C)CC1=CC(C(=O)NCC(CC2CCCC2)C(=O)[O-])=NO1	REAL300005054971	1	48	0.0	-75.49	376.89	7.65	-67.84
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054975	0	59	0.0	-64.00	445.44	11.73	-52.27
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054975	1	59	0.0	-54.72	439.93	12.04	-42.68
CC(C)[N@@H+]1CCCC1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054992	0	52	0.0	-52.64	366.38	8.83	-43.81
CC(C)[N@H+]1CCCC1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054992	1	52	0.0	-50.68	373.89	8.75	-41.93
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(CC2CCCC2)C(=O)[O-])C=C1	REAL300005054999	0	60	0.0	-73.58	456.27	11.06	-62.52
C[NH+]1CCC(OCC(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005055019	0	53	0.0	-69.27	393.74	8.68	-60.59
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)CC1CCCC1	REAL300005055024	0	56	0.0	-66.16	418.87	10.17	-55.99
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC(CC2CCCC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005055069	0	58	0.0	-62.54	434.29	9.95	-52.59
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(CC2CCCC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005055069	1	58	0.0	-45.44	427.88	10.21	-35.23
CCC[N@@H+]1CCCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005055222	0	55	0.0	-61.16	404.10	9.77	-51.39
CCC[N@H+]1CCCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005055222	1	55	0.0	-57.11	398.45	9.86	-47.25
CC(C)C[N@@H+]1CCCC1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005055255	0	55	0.0	-50.79	400.65	9.81	-40.98
CC(C)C[N@H+]1CCCC1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005055255	1	55	0.0	-52.16	398.61	9.78	-42.38
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)CC1CCCC1	REAL300005055256	0	53	0.0	-51.49	388.50	6.02	-45.47
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)CC1CCCC1	REAL300005055358	0	60	0.0	-54.35	449.63	12.24	-42.11
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)CC1CCCC1	REAL300005055358	1	60	0.0	-66.78	451.24	12.18	-54.60
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)CC1CCCC1	REAL300005055399	1	59	0.0	-55.47	430.88	11.93	-43.54
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)CC1CCCC1	REAL300005055399	1	59	0.0	-47.27	429.50	12.00	-35.27
CC(C)[N@@H+]1CCCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005055494	0	55	0.0	-52.92	389.74	9.81	-43.11
CC(C)[N@H+]1CCCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005055494	1	55	0.0	-53.33	393.01	9.74	-43.59
C[N@@H+]1CC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005055495	0	49	0.0	-71.96	373.72	8.30	-63.66
C[N@H+]1CC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005055495	1	49	0.0	-55.29	377.73	8.27	-47.02
CC1=C(C)[NH+]=C(CCC(=O)NCC(CC2CCCC2)C(=O)[O-])N1	REAL300005055519	1	50	0.0	-52.02	384.94	8.13	-43.89
C[NH+](C)CCC1=CC=CC(C(=O)NCC(CC2CCCC2)C(=O)[O-])=C1	REAL300005056019	0	55	0.0	-73.44	421.01	11.07	-62.37
C[NH+](C)CCOC1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C=C1	REAL300005056027	0	56	0.0	-70.52	423.04	10.22	-60.30
O=C([O-])C(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)CC1CCCC1	REAL300005056129	0	62	0.0	-59.48	453.71	12.87	-46.61
CC1C[N@H+](CC2=CC=C(C(=O)NCC(CC3CCCC3)C(=O)[O-])C=C2)CCO1	REAL300005056131	1	60	0.0	-74.13	445.87	10.40	-63.73
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(CC3CCCC3)C(=O)[O-])C=C2)CCO1	REAL300005056131	1	60	0.0	-73.79	444.34	10.34	-63.45
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(CC2CCCC2)C(=O)[O-])CC1	REAL300005056178	0	55	0.0	-63.52	391.05	9.37	-54.15
CC(C)C[N@@H+]1CCCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005056245	0	58	0.0	-54.76	415.29	10.65	-44.11
CC(C)C[N@H+]1CCCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005056245	1	58	0.0	-54.76	415.29	10.65	-44.11
CC[N@@H+]1CCCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005056246	0	52	0.0	-60.74	382.61	9.03	-51.71
CC[N@H+]1CCCC(C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005056246	1	52	0.0	-60.74	382.61	9.03	-51.71
CN(C)CC1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])O1	REAL300005056252	0	49	0.0	-68.21	377.28	8.29	-59.92
C[NH+](C)CC1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])O1	REAL300005056252	1	49	0.0	-68.21	377.28	8.29	-59.92
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005056258	0	58	0.0	-67.73	408.75	9.82	-57.91
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(CC2CCCC2)C(=O)[O-])C1	REAL300005056258	1	58	0.0	-67.73	408.75	9.82	-57.91
O=C([O-])C(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)CC1CCCC1	REAL300005056261	0	51	0.0	-50.39	384.70	9.44	-40.95
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300005056266	0	51	0.0	-76.76	396.10	9.51	-67.25
CN(C)C1=CC=C(C(CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300005056267	0	55	0.0	-82.22	427.19	9.78	-72.44
CN(C)C1=CC=C(C(CNC(=O)C2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300005056268	0	51	0.0	-87.18	392.45	10.35	-76.83
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])S2)[NH+](C)C)C=C1	REAL300005056269	0	48	0.0	-65.70	387.04	9.56	-56.14
CN(C)C1=CC=C(C(CNC(=O)C2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1	REAL300005056270	0	50	0.0	-54.00	390.87	8.66	-45.34
CN(C)C1=CC=C(C(CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300005056271	0	57	0.0	-80.58	443.18	11.00	-69.58
CN(C)C1=CC=C(C(CNC(=O)C2=CC=NC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300005056272	0	50	0.0	-89.80	388.85	8.63	-81.17
CN(C)C1=CC=C(C(CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300005056273	0	55	0.0	-80.74	428.62	11.65	-69.09
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])O2)[NH+](C)C)C=C1	REAL300005056274	0	48	0.0	-57.80	378.88	8.76	-49.04
CN(C)C1=CC=C(C(CNC(=O)CCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300005056275	0	57	0.0	-67.63	434.45	10.75	-56.88
CN(C)C1=CC=C(C(CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300005056276	0	54	0.0	-80.48	419.80	10.13	-70.35
CN(C)C1=CC=C(C(CNC(=O)C2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300005056277	0	48	0.0	-57.43	371.44	7.82	-49.61
CN(C)C1=CC=C(C(CNC(=O)C2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300005056278	0	48	0.0	-57.43	371.44	7.82	-49.61
CN(C)C1=CC=C(C(CNC(=O)C2CCCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300005056279	0	57	0.0	-85.67	412.70	10.52	-75.15
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])N=C2)[NH+](C)C)C=C1	REAL300005056280	0	50	0.0	-74.59	389.39	8.59	-66.00
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)[NH+](C)C)C=C1	REAL300005056281	0	50	0.0	-62.49	389.85	8.63	-53.86
CN(C)C1=CC=C(C(CNC(=O)CC(C)(C)CC(=O)[O-])[NH+](C)C)C=C1	REAL300005056282	0	56	0.0	-72.98	404.82	8.92	-64.06
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)[NH+](C)C)C=C1	REAL300005056283	0	51	0.0	-76.77	397.98	10.45	-66.32
CN(C)C1=CC=C(C(CNC(=O)C2=CN=C(C(=O)[O-])C=N2)[NH+](C)C)C=C1	REAL300005056284	0	49	0.0	-65.87	387.12	6.86	-59.01
CN(C)C1=CC=C(C(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300005056285	0	57	0.0	-75.60	419.21	10.68	-64.92
CN(C)C1=CC=C(C(CNC(=O)C2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300005056286	0	57	0.0	-75.87	422.24	9.74	-66.13
CN(C)C1=CC=C(C(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300005056287	0	54	0.0	-84.98	419.51	10.15	-74.83
CN(C)C1=CC=C(C(CNC(=O)CN2C=C(C(=O)[O-])N=N2)[NH+](C)C)C=C1	REAL300005056288	0	50	0.0	-87.17	397.92	6.15	-81.02
CC1=NC(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300005056289	0	53	0.0	-67.34	408.18	8.26	-59.08
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300005056290	0	51	0.0	-76.76	396.10	9.51	-67.25
CN(C)C1=CC=C(C(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300005056291	0	54	0.0	-78.72	403.56	9.05	-69.67
CN(C)C1=CC=C(C(CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300005056292	0	54	0.0	-78.38	415.63	11.13	-67.25
CN(C)C1=CC=C(C(CNC(=O)C2=C(CC(=O)[O-])OC=C2)[NH+](C)C)C=C1	REAL300005056293	0	51	0.0	-74.52	394.89	9.27	-65.25
CC1=COC(CC(=O)[O-])=C1C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056294	0	54	0.0	-71.30	425.08	9.01	-62.29
CN(C)C1=CC=C(C(CNC(=O)C2=CC(C(=O)[O-])=CC=N2)[NH+](C)C)C=C1	REAL300005056295	0	50	0.0	-72.70	392.44	7.75	-64.95
CN(C)C1=CC=C(C(CNC(=O)C23CC(C(=O)[O-])(C2)C3)[NH+](C)C)C=C1	REAL300005056296	0	52	0.0	-73.72	398.50	9.06	-64.66
CN(C)C1=CC=C(C(CNC(=O)C2(C(=O)[O-])CCC2)[NH+](C)C)C=C1	REAL300005056297	0	51	0.0	-59.26	383.60	8.46	-50.80
CN(C)C1=CC=C(C(CNC(=O)C(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300005056298	0	50	0.0	-74.07	375.42	8.74	-65.33
CN(C)C1=CC=C(C(CNC(=O)CC2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300005056299	0	60	0.0	-79.72	440.46	10.42	-69.30
CN(C)C1=CC=C(C(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)[NH+](C)C)C=C1	REAL300005056300	0	58	0.0	-81.97	430.89	9.88	-72.09
CN(C)C1=CC=C(C(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[NH+](C)C)C=C1	REAL300005056301	0	61	0.0	-78.32	439.50	10.41	-67.91
CN(C)C1=CC=C(C(CNC(=O)CC(C)(C)CC(=O)[O-])[NH+](C)C)C=C1	REAL300005056302	0	56	0.0	-72.98	404.82	8.92	-64.06
CN(C)C1=CC=C(C(CNC(=O)CCCC(=O)[O-])[NH+](C)C)C=C1	REAL300005056303	0	50	0.0	-75.40	382.46	8.09	-67.31
CC(CC(=O)[O-])CC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056304	0	53	0.0	-74.30	395.07	8.54	-65.76
CN(C)C1=CC=C(C(CNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)[NH+](C)C)C=C1	REAL300005056305	0	53	0.0	-70.79	414.25	9.71	-61.08
CN(C)C1=CC=C(C(CNC(=O)C2=NOC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300005056306	0	47	0.0	-61.02	374.32	7.94	-53.08
CN(C)C1=CC=C(C(CNC(=O)C2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300005056307	0	54	0.0	-56.66	398.92	9.13	-47.53
CC1=C(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C=C(C(=O)[O-])O1	REAL300005056308	0	51	0.0	-64.43	395.87	9.53	-54.90
CC1=C(C(=O)[O-])OC(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)=C1	REAL300005056309	0	51	0.0	-57.82	396.80	9.34	-48.48
CN(C)C1=CC=C(C(CNC(=O)CN2C=C(C(=O)[O-])C=N2)[NH+](C)C)C=C1	REAL300005056310	0	51	0.0	-83.12	402.86	7.64	-75.48
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C=CC(=O)[O-])O2)[NH+](C)C)C=C1	REAL300005056311	0	52	0.0	-63.29	412.00	9.95	-53.34
CN(C)C1=CC=C(C(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[NH+](C)C)C=C1	REAL300005056312	0	58	0.0	-40.37	418.25	10.73	-29.64
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300005056313	0	55	0.0	-76.53	423.76	10.67	-65.86
CN(C)C1=CC=C(C(CNC(=O)CCSCC(=O)[O-])[NH+](C)C)C=C1	REAL300005056314	0	51	0.0	-72.64	406.50	8.70	-63.94
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)[NH+](C)C)C=C1	REAL300005056315	0	50	0.0	-62.49	389.85	8.63	-53.86
CN(C)C1=CC=C(C(CNC(=O)COCC(=O)[O-])[NH+](C)C)C=C1	REAL300005056316	0	48	0.0	-77.12	375.59	7.36	-69.76
CN(C)C1=CC=C(C(CNC(=O)C2=CC(C(=O)[O-])=NN2C)[NH+](C)C)C=C1	REAL300005056317	0	51	0.0	-84.93	396.07	7.34	-77.59
C[C@@H]1C[C@H](C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)O[C@H]1C(=O)[O-]	REAL300005056318	0	55	0.0	-79.43	419.38	9.03	-70.40
CN(C)C1=CC=C(C(CNC(=O)C(C)(C)CCC(=O)[O-])[NH+](C)C)C=C1	REAL300005056319	0	56	0.0	-77.30	413.63	9.03	-68.27
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300005056320	0	54	0.0	-71.19	414.94	11.17	-60.02
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300005056321	0	55	0.0	-78.30	424.84	11.69	-66.61
CN(C)C1=CC=C(C(CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)[NH+](C)C)C=C1	REAL300005056322	0	52	0.0	-76.05	414.73	8.92	-67.13
CN(C)C1=CC=C(C(CNC(=O)C2=CC=CC=C2CCC(=O)[O-])[NH+](C)C)C=C1	REAL300005056323	0	57	0.0	-81.02	428.02	11.86	-69.16
CN(C)C1=CC=C(C(CNC(=O)COCC2=C(C(=O)[O-])N=CO2)[NH+](C)C)C=C1	REAL300005056324	0	54	0.0	-82.28	428.26	5.23	-77.05
CN(C)C1=CC=C(C(CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)[NH+](C)C)C=C1	REAL300005056325	0	52	0.0	-73.13	417.40	9.29	-63.84
CN(C)C1=CC=C(C(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300005056326	0	54	0.0	-78.72	403.56	9.05	-69.67
CC1=CC=C(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C=C1C(=O)[O-]	REAL300005056327	0	54	0.0	-82.20	412.72	10.04	-72.16
CN(C)C1=CC=C(C(CNC(=O)C2=CN=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300005056328	0	50	0.0	-78.44	387.32	8.51	-69.93
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056329	0	53	0.0	-58.14	404.06	9.15	-48.99
CN(C)C1=CC=C(C(CNC(=O)CN2C=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1	REAL300005056330	0	51	0.0	-98.42	398.83	8.56	-89.86
CN(C)C1=CC=C(C(CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1	REAL300005056331	0	57	0.0	-92.98	444.81	9.00	-83.98
CN(C)C1=CC=C(C(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300005056332	0	51	0.0	-59.39	381.03	9.60	-49.79
CN(C)C1=CC=C(C(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)[NH+](C)C)C=C1	REAL300005056333	0	58	0.0	-82.13	439.75	9.42	-72.71
CN(C)C1=CC=C(C(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)[NH+](C)C)C=C1	REAL300005056334	0	58	0.0	-75.16	436.28	9.16	-66.00
CN(C)C1=CC=C(C(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300005056335	0	51	0.0	-59.39	381.03	9.60	-49.79
CN(C)C1=CC=C(C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300005056336	0	48	0.0	-75.91	366.94	8.94	-66.97
CC1=C(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)OC(C(=O)[O-])=C1	REAL300005056337	0	51	0.0	-57.90	397.69	9.46	-48.44
CN(C)C1=CC=C(C(CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300005056338	0	59	0.0	-43.98	418.96	10.89	-33.09
CCC(C(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056339	0	50	0.0	-60.99	379.92	7.91	-53.08
CC(C)C(C(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056340	0	53	0.0	-58.90	387.67	8.59	-50.31
CN(C)C1=CC=C(C(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300005056341	0	57	0.0	-70.24	409.48	10.27	-59.97
CN(C)C1=CC=C(C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300005056342	1	59	0.0	-73.71	434.03	7.51	-66.20
CN(C)C1=CC=C(C(CNC(=O)CN2CCCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300005056342	1	59	0.0	-73.71	434.03	7.51	-66.20
CN(C)C1=CC=C(C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300005056343	0	48	0.0	-70.47	369.42	8.97	-61.50
CN(C)C1=CC=C(C(CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300005056344	0	58	0.0	-65.16	448.08	11.35	-53.81
CN(C)C1=CC=C(C(CNC(=O)C2CC3(CC3C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300005056345	0	55	0.0	-80.28	417.84	9.83	-70.45
CN(C)C1=CC=C(C(CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300005056346	0	51	0.0	-74.14	387.57	8.46	-65.68
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056347	0	57	0.0	-77.15	423.66	10.60	-66.55
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056348	0	54	0.0	-57.19	409.36	11.00	-46.19
CN(C)C1=CC=C(C(CNC(=O)C2CC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300005056349	0	54	0.0	-65.55	401.62	9.79	-55.76
CN(C)C1=CC=C(C(CNC(=O)C2=C(C(=O)[O-])SC=C2)[NH+](C)C)C=C1	REAL300005056350	0	48	0.0	-73.04	381.71	10.21	-62.83
CN(C)C1=CC=C(C(CNC(=O)C2=CC(C(=O)[O-])=NN2)[NH+](C)C)C=C1	REAL300005056351	0	48	0.0	-79.92	377.32	6.80	-73.12
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056352	0	53	0.0	-75.22	401.42	8.25	-66.97
CCCC(C(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056353	0	53	0.0	-61.20	401.42	8.68	-52.52
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056354	0	54	0.0	-76.04	408.59	10.97	-65.07
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)[NH+](C)C)C=C1	REAL300005056355	0	51	0.0	-75.06	404.93	10.86	-64.20
CN(C)C1=CC=C(C(CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)[NH+](C)C)C=C1	REAL300005056356	0	58	0.0	-79.16	433.75	11.28	-67.88
COC1=CC(C(=O)[O-])=NC(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)=C1	REAL300005056357	0	54	0.0	-52.08	420.29	7.96	-44.12
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])N2C)[NH+](C)C)C=C1	REAL300005056358	0	52	0.0	-76.41	395.54	9.64	-66.77
CN(C)C1=CC=C(C(CNC(=O)C2(C(=O)[O-])CC=CC2)[NH+](C)C)C=C1	REAL300005056359	0	52	0.0	-61.27	393.12	9.03	-52.24
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300005056360	0	57	0.0	-75.72	437.03	11.94	-63.78
CC1=NNC(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)=C1C(=O)[O-]	REAL300005056361	0	51	0.0	-76.70	388.31	8.21	-68.49
CN(C)C1=CC=C(C(CNC(=O)CC2(CC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300005056362	0	54	0.0	-68.47	404.77	9.91	-58.56
CN(C)C1=CC=C(C(CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)[NH+](C)C)C=C1	REAL300005056363	0	55	0.0	-75.56	429.56	9.99	-65.57
CN(C)C1=CC=C(C(CNC(=O)C2=CSC(C(=O)[O-])=N2)[NH+](C)C)C=C1	REAL300005056364	0	47	0.0	-53.00	382.42	7.54	-45.46
COC(C(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056365	0	48	0.0	-57.85	370.51	7.20	-50.65
CN(C)C1=CC=C(C(CNC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300005056366	0	51	0.0	-77.15	389.63	8.75	-68.40
CC1=C(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C=C(C(=O)[O-])S1	REAL300005056367	0	51	0.0	-59.63	402.70	10.21	-49.42
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056368	0	54	0.0	-68.38	418.97	9.79	-58.59
CN(C)C1=CC=C(C(CNC(=O)CCC2=CC=CN=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300005056369	0	56	0.0	-77.34	430.49	8.98	-68.36
CN(C)C1=CC=C(C(CNC(=O)C23CC(C(=O)[O-])(C2)CO3)[NH+](C)C)C=C1	REAL300005056370	0	53	0.0	-69.07	405.59	7.05	-62.02
CC(C(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056371	0	47	0.0	-71.64	357.75	8.19	-63.45
CN(C)C1=CC=C(C(CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300005056372	0	55	0.0	-80.87	426.96	11.54	-69.33
CC1CC1(C(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056373	0	51	0.0	-59.21	389.71	8.54	-50.67
CN(C)C1=CC=C(C(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[NH+](C)C)C=C1	REAL300005056374	0	58	0.0	-40.37	418.25	10.73	-29.64
CN(C)C1=CC=C(C(CNC(=O)C2=C(C(=O)[O-])C=NN2C)[NH+](C)C)C=C1	REAL300005056375	0	51	0.0	-81.40	390.48	8.24	-73.16
CN(C)C1=CC=C(C(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)[NH+](C)C)C=C1	REAL300005056376	0	52	0.0	-70.82	411.38	7.61	-63.21
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056377	0	54	0.0	-81.18	406.65	10.06	-71.12
CN(C)C1=CC=C(C(CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)[NH+](C)C)C=C1	REAL300005056378	0	54	0.0	-81.65	426.96	8.91	-72.74
C=C1CCC1(C(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056379	0	52	0.0	-60.43	397.50	8.87	-51.56
CN(C)C1=CC=C(C(CNC(=O)C2=CC(C(=O)[O-])=CS2)[NH+](C)C)C=C1	REAL300005056380	0	48	0.0	-79.90	386.66	9.39	-70.51
CN(C)C1=CC=C(C(CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300005056381	0	56	0.0	-59.81	415.04	7.61	-52.20
CC(C)[C@]1(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C[C@H]1C(=O)[O-]	REAL300005056382	0	57	0.0	-58.43	426.75	9.47	-48.96
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300005056383	0	57	0.0	-91.81	433.83	11.50	-80.31
CN(C)C1=CC=C(C(CNC(=O)CC2=CC(C(=O)[O-])=CS2)[NH+](C)C)C=C1	REAL300005056384	0	51	0.0	-83.35	408.96	10.21	-73.14
CN(C)C1=CC=C(C(CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)[NH+](C)C)C=C1	REAL300005056385	0	54	0.0	-88.36	426.33	10.22	-78.14
CN(C)C1=CC=C(C(CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)[NH+](C)C)C=C1	REAL300005056386	0	54	0.0	-68.77	403.79	9.05	-59.72
CN(C)C1=CC=C(C(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[NH+](C)C)C=C1	REAL300005056387	0	61	0.0	-78.32	439.50	10.41	-67.91
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005057416	0	54	0.0	-85.72	408.59	10.38	-75.34
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300005058692	0	48	0.0	-80.91	361.41	8.21	-72.70
CC1=[NH+]C=C2CCC(C(=O)N3CC4=CC(C(=O)[O-])=NN4CC3C)CN21	REAL300005058718	1	46	0.0	-73.53	355.36	7.83	-65.70
CC(C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C)N1CC[NH+](C)CC1	REAL300005058785	1	49	0.0	-79.78	359.16	5.16	-74.62
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)[C@@H]1CCCC[N@@H+]1C	REAL300005058819	0	44	0.0	-76.81	320.91	6.50	-70.31
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)[C@@H]1CCCC[N@H+]1C	REAL300005058819	1	44	0.0	-74.13	332.43	7.02	-67.11
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CC[NH+](C)CC1	REAL300005058891	0	44	0.0	-83.75	332.10	6.80	-76.95
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005058916	0	39	0.0	-81.85	326.76	8.77	-73.08
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300005058945	0	53	0.0	-86.35	362.15	8.70	-77.65
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300005058949	0	53	0.0	-82.44	390.46	9.09	-73.35
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300005058949	1	53	0.0	-81.84	390.47	9.09	-72.75
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CC[NH+](C)CC1	REAL300005059008	0	44	0.0	-83.75	332.10	6.80	-76.95
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005059011	0	47	0.0	-80.28	379.17	7.66	-72.62
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005059026	0	55	0.0	-83.83	399.30	7.41	-76.42
CC1=[NH+]C=CN1CCCC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059055	1	45	0.0	-77.87	363.05	8.41	-69.46
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCCC[NH+]1CCOCC1	REAL300005059056	1	51	0.0	-83.28	390.32	7.06	-76.22
CC[N@H+](CC1=CC=C(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C=C1)C(C)C	REAL300005059058	0	56	0.0	-80.37	417.67	10.23	-70.14
CC[N@@H+](CC1=CC=C(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C=C1)C(C)C	REAL300005059058	1	56	0.0	-81.46	409.39	9.96	-71.50
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005059095	0	51	0.0	-82.76	391.84	9.67	-73.09
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005059095	1	51	0.0	-83.11	390.50	9.81	-73.30
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005059096	0	52	0.0	-85.90	396.25	9.18	-76.72
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005059123	0	55	0.0	-80.75	385.40	7.34	-73.41
CCC(C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C)[NH+](CC)CC	REAL300005059127	0	49	0.0	-72.96	354.55	7.64	-65.32
CC(C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C)[N@H+](C)CC1=CC=CC=C1	REAL300005059129	0	50	0.0	-78.95	385.06	9.38	-69.57
CC(C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C)[N@@H+](C)CC1=CC=CC=C1	REAL300005059129	1	50	0.0	-77.49	383.57	9.33	-68.16
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005059138	0	57	0.0	-83.54	431.19	11.22	-72.32
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005059138	1	57	0.0	-79.91	425.01	11.38	-68.53
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300005059151	0	46	0.0	-82.86	363.86	6.60	-76.26
CCC[NH+](CCC)CCCC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059157	0	55	0.0	-80.86	410.14	9.40	-71.46
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1C[N@H+](C)CCO1	REAL300005059159	1	42	0.0	-73.22	314.94	5.42	-67.80
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1C[N@@H+](C)CCO1	REAL300005059159	1	42	0.0	-81.72	322.68	5.59	-76.13
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059167	1	45	0.0	-75.46	357.84	8.19	-67.27
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005059182	0	51	0.0	-84.35	392.97	9.69	-74.66
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005059188	0	54	0.0	-79.39	409.72	10.39	-69.00
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1(C[NH+](C)C)CC1	REAL300005059194	0	44	0.0	-72.38	337.47	7.07	-65.31
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCCC[NH+](C)C	REAL300005059203	0	46	0.0	-81.44	357.42	7.60	-73.84
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005059213	1	55	0.0	-89.44	416.33	9.89	-79.55
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005059213	1	55	0.0	-88.12	426.39	10.01	-78.11
CC1=C(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C=NN1C1=CC=[NH+]C=C1	REAL300005059225	1	45	0.0	-83.81	362.18	6.99	-76.82
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005059228	0	54	0.0	-83.15	411.05	10.46	-72.69
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005059240	1	47	0.0	-84.41	368.90	7.90	-76.51
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300005059241	0	50	0.0	-85.07	391.98	9.44	-75.63
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059247	1	43	0.0	-72.28	343.13	6.06	-66.22
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005059248	1	52	0.0	-89.83	398.57	9.12	-80.71
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005059248	1	52	0.0	-88.23	394.55	9.05	-79.18
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[N@H+](C)C1CCC1	REAL300005059268	0	44	0.0	-78.59	338.32	7.43	-71.16
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[N@@H+](C)C1CCC1	REAL300005059268	1	44	0.0	-78.88	338.15	7.40	-71.48
CC(C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C)[NH+]1CCSCC1	REAL300005059291	1	45	0.0	-80.16	339.79	7.11	-73.05
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300005059297	0	49	0.0	-79.97	362.22	8.02	-71.95
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300005059297	1	49	0.0	-80.80	359.89	7.82	-72.98
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300005059299	0	50	0.0	-85.39	391.22	9.87	-75.52
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300005059299	1	50	0.0	-85.57	391.19	9.87	-75.70
COCCOCC[N@H+](C)CCC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059300	0	54	0.0	-81.98	420.22	6.14	-75.84
COCCOCC[N@@H+](C)CCC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059300	1	54	0.0	-83.85	420.23	6.11	-77.74
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300005059304	0	48	0.0	-80.33	349.79	5.71	-74.62
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300005059304	1	48	0.0	-78.83	349.58	5.51	-73.32
CCCCCC[N@H+](C)CC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059316	0	52	0.0	-82.34	395.78	9.19	-73.15
CCCCCC[N@@H+](C)CC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059316	1	52	0.0	-82.17	395.77	9.18	-72.99
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005059330	1	39	0.0	-83.22	320.90	8.58	-74.64
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[N@H+](C)C1CCSC1	REAL300005059343	0	45	0.0	-85.40	351.35	7.69	-77.71
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[N@@H+](C)C1CCSC1	REAL300005059343	1	45	0.0	-87.50	351.54	7.66	-79.84
CC(C)[NH+]1CCN(CCC(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC1	REAL300005059358	0	55	0.0	-78.83	407.40	6.65	-72.18
CC(C)N1CC[NH+](CCC(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC1	REAL300005059358	1	55	0.0	-82.81	406.82	6.65	-76.16
CC(C)[NH+]1CCN(CCCC(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC1	REAL300005059359	0	58	0.0	-77.04	428.90	7.45	-69.59
CC(C)N1CC[NH+](CCCC(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC1	REAL300005059359	1	58	0.0	-81.47	425.40	7.24	-74.23
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300005059360	0	48	0.0	-74.75	341.45	7.59	-67.16
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300005059360	1	48	0.0	-77.81	345.22	7.91	-69.90
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300005059362	0	47	0.0	-86.77	372.40	6.54	-80.23
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005059366	0	56	0.0	-87.26	424.88	8.85	-78.41
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005059368	0	53	0.0	-89.20	398.67	8.90	-80.30
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005059368	1	53	0.0	-84.00	397.41	8.77	-75.23
CC(C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005059373	1	51	0.0	-80.81	381.93	9.80	-71.01
CC(C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005059373	1	51	0.0	-81.19	388.48	9.73	-71.46
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005059392	0	54	0.0	-83.54	411.30	10.66	-72.88
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005059392	1	54	0.0	-84.05	411.61	10.66	-73.39
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300005059405	0	47	0.0	-86.39	373.93	7.26	-79.13
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300005059406	0	47	0.0	-80.63	369.13	6.67	-73.96
C[C@@H]1[C@H](C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC[N@@H+]1C	REAL300005059408	0	44	0.0	-76.96	323.62	6.95	-70.01
C[C@@H]1[C@H](C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC[N@H+]1C	REAL300005059408	1	44	0.0	-78.47	333.46	6.63	-71.84
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059409	1	48	0.0	-74.31	378.00	8.69	-65.62
CC[C@@H]1[C@@H](C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC[N@@H+]1C	REAL300005059412	0	47	0.0	-79.07	348.49	7.02	-72.05
CC[C@@H]1[C@@H](C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC[N@H+]1C	REAL300005059412	1	47	0.0	-78.45	350.47	7.30	-71.15
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300005059415	1	48	0.0	-82.92	375.05	6.79	-76.13
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300005059415	1	48	0.0	-84.12	371.77	6.84	-77.28
CC1C[N@H+](C)CC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)O1	REAL300005059422	1	45	0.0	-79.79	343.83	6.33	-73.46
CC1C[N@@H+](C)CC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)O1	REAL300005059422	1	45	0.0	-88.95	345.94	6.41	-82.54
CC1=[NH+]C=CN1CC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059429	1	39	0.0	-77.52	320.48	7.02	-70.50
CC(C[NH+]1CCOCC1)C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059431	1	48	0.0	-89.00	362.76	5.99	-83.01
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005059432	0	55	0.0	-87.16	422.64	8.27	-78.89
CC1CC[NH+](CC(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC1	REAL300005059447	0	47	0.0	-81.12	351.28	7.96	-73.16
CC[N@@H+]1CCOC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C1	REAL300005059460	1	45	0.0	-72.30	332.68	6.06	-66.24
CC[N@H+]1CCOC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C1	REAL300005059460	1	45	0.0	-84.46	335.60	6.13	-78.33
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005059492	0	54	0.0	-78.67	390.51	9.24	-69.43
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005059492	1	54	0.0	-78.81	393.77	9.33	-69.48
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCC1CCC[N@@H+]1C	REAL300005059499	0	47	0.0	-78.86	350.40	7.56	-71.30
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCC1CCC[N@H+]1C	REAL300005059499	1	47	0.0	-79.58	356.17	8.01	-71.57
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300005059510	0	48	0.0	-74.14	356.23	8.20	-65.94
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300005059510	1	48	0.0	-73.89	354.24	8.27	-65.62
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300005059522	0	56	0.0	-73.22	428.21	8.03	-65.19
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300005059523	0	56	0.0	-77.06	428.14	8.04	-69.02
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300005059523	1	56	0.0	-84.02	427.57	7.90	-76.12
CC(C)[NH+]1CCC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC1	REAL300005059532	0	50	0.0	-80.81	366.42	8.00	-72.81
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C12CC[NH+](CC1)C2	REAL300005059600	0	42	0.0	-81.63	315.93	5.66	-75.97
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300005059609	0	45	0.0	-82.43	323.96	6.21	-76.22
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300005059609	1	45	0.0	-77.99	322.43	6.36	-71.63
CC1CCC(C)[NH+]1CC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059648	0	47	0.0	-76.05	349.13	7.29	-68.76
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300005059649	0	47	0.0	-85.73	369.45	8.60	-77.13
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005059650	0	54	0.0	-87.56	403.37	10.38	-77.18
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005059650	1	54	0.0	-79.04	402.47	10.52	-68.52
C#CC[NH+]1CCC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC1	REAL300005059705	0	46	0.0	-84.05	357.28	8.01	-76.04
CC[NH+]1CCN(CCC(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC1	REAL300005059707	0	52	0.0	-80.32	390.66	6.14	-74.18
CCN1CC[NH+](CCC(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)CC1	REAL300005059707	1	52	0.0	-82.37	390.67	6.14	-76.23
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059714	1	48	0.0	-73.57	377.47	8.64	-64.93
CC[N@H+](CC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C)C1CC1	REAL300005059720	0	44	0.0	-77.07	340.65	7.47	-69.60
CC[N@@H+](CC(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C)C1CC1	REAL300005059720	1	44	0.0	-78.04	338.52	7.42	-70.62
CC(C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C)[NH+]1CCCCCC1	REAL300005059747	0	50	0.0	-75.50	359.67	7.88	-67.62
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300005059785	1	52	0.0	-84.38	400.04	9.00	-75.38
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300005059785	1	52	0.0	-83.98	400.05	9.01	-74.97
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)O1	REAL300005059824	0	50	0.0	-79.13	386.12	8.76	-70.37
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCCC[NH+]1CCCC1	REAL300005059825	0	50	0.0	-79.99	383.38	8.78	-71.21
CC1=CC=C(N2CCC(C(=O)N3CC4=CC(C(=O)[O-])=NN4CC3C)CC2)[NH+]=C1	REAL300005059827	1	53	0.0	-75.99	401.54	8.22	-67.77
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300005059828	1	47	0.0	-84.94	368.74	9.04	-75.90
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300005059828	1	47	0.0	-85.16	368.71	9.02	-76.14
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005059853	1	42	0.0	-85.93	347.36	6.48	-79.45
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300005059876	1	43	0.0	-86.70	347.35	6.70	-80.00
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059880	0	54	0.0	-87.15	411.07	10.42	-76.73
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059880	1	54	0.0	-83.53	411.74	10.56	-72.97
CC(C)[N@@H+]1CCCC1C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059895	0	47	0.0	-74.26	347.35	7.44	-66.82
CC(C)[N@H+]1CCCC1C(=O)N1CC2=CC(C(=O)[O-])=NN2CC1C	REAL300005059895	1	47	0.0	-73.97	341.62	7.64	-66.33
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005059903	0	55	0.0	-83.22	433.43	9.91	-73.31
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)COC1CC[NH+](C)CC1	REAL300005059916	0	48	0.0	-84.47	372.01	7.58	-76.89
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005059921	0	51	0.0	-78.97	390.58	9.09	-69.88
CCC[N@@H+]1CCCC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C1	REAL300005060075	0	50	0.0	-76.22	365.09	8.35	-67.87
CCC[N@H+]1CCCC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C1	REAL300005060075	1	50	0.0	-78.74	371.26	8.19	-70.55
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300005060102	0	48	0.0	-82.69	362.11	4.64	-78.05
CC(C)[N@@H+]1CCCC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C1	REAL300005060289	0	50	0.0	-78.08	370.01	8.14	-69.94
CC(C)[N@H+]1CCCC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C1	REAL300005060289	1	50	0.0	-79.11	361.46	8.28	-70.83
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300005060290	0	44	0.0	-90.69	336.47	6.96	-83.73
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300005060290	1	44	0.0	-92.19	353.06	6.96	-85.23
CC1=C(C)[NH+]=C(CCC(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)N1	REAL300005060313	1	45	0.0	-74.85	362.29	6.76	-68.09
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300005060715	0	50	0.0	-85.59	392.00	9.44	-76.15
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300005060722	0	51	0.0	-80.71	398.99	8.38	-72.33
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005060812	0	57	0.0	-81.78	428.37	11.45	-70.33
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4=CC(C(=O)[O-])=NN4CC3C)C=C2)CCO1	REAL300005060814	1	55	0.0	-85.00	420.25	8.82	-76.18
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4=CC(C(=O)[O-])=NN4CC3C)C=C2)CCO1	REAL300005060814	1	55	0.0	-86.10	423.57	8.81	-77.29
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300005060842	0	44	0.0	-82.17	338.09	7.22	-74.95
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300005060846	0	50	0.0	-80.33	359.88	7.82	-72.51
CC1=[NH+]C=C2C=CC(C(=O)N3CC4=CC(C(=O)[O-])=NN4CC3C)=CN21	REAL300005060850	0	42	0.0	-76.70	348.15	8.55	-68.15
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C1	REAL300005060903	0	53	0.0	-86.09	390.12	8.92	-77.17
CC(C)C[N@H+]1CCCC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C1	REAL300005060903	1	53	0.0	-78.39	388.71	8.89	-69.50
CC[N@@H+]1CCCC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C1	REAL300005060904	0	47	0.0	-79.26	349.91	7.62	-71.64
CC[N@H+]1CCCC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C1	REAL300005060904	1	47	0.0	-80.68	343.22	7.66	-73.02
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC[N@H+](C)C1	REAL300005060908	0	44	0.0	-79.59	329.16	6.84	-72.75
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1CCC[N@@H+](C)C1	REAL300005060908	1	44	0.0	-81.56	335.65	6.94	-74.62
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300005060910	1	44	0.0	-81.03	350.03	7.31	-73.72
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005060918	0	46	0.0	-70.54	348.91	7.97	-62.57
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300005060918	1	46	0.0	-75.23	340.16	8.54	-66.69
CN(CCC1=NC=CC(C(F)(F)F)=N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005061000	0	47	0.0	-51.07	379.75	8.44	-42.63
CN(CCC1=NC=CC(C(F)(F)F)=N1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005061000	1	47	0.0	-52.69	386.65	8.54	-44.15
C[C@@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300005061124	0	49	0.0	-49.67	375.19	10.43	-39.24
C[C@@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300005061124	1	49	0.0	-50.29	369.70	10.45	-39.84
O=C([O-])CC1CC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005062485	0	53	0.0	-76.28	405.47	10.57	-65.71
O=C([O-])CC1CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005063266	0	50	0.0	-63.36	381.57	9.48	-53.88
O=C([O-])CC1CC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005063266	1	50	0.0	-64.44	381.37	9.47	-54.97
O=C([O-])CC1CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005064062	1	50	0.0	-65.92	398.27	10.01	-55.91
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CCOC1=CC=C(CCN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300005066883	0	53	0.0	-50.12	407.39	10.49	-39.63
CCOC1=CC=C(CCN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300005066883	1	53	0.0	-50.12	407.39	10.49	-39.63
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005066935	0	53	0.0	-76.06	402.55	11.19	-64.87
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005066935	1	53	0.0	-76.06	402.55	11.19	-64.87
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300005066936	0	57	0.0	-81.20	433.64	11.47	-69.73
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300005066936	1	57	0.0	-81.20	433.64	11.47	-69.73
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300005066937	0	53	0.0	-90.42	398.73	10.81	-79.61
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300005066937	1	53	0.0	-90.42	398.73	10.81	-79.61
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])S1	REAL300005066938	0	50	0.0	-69.82	396.85	10.36	-59.46
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])S1	REAL300005066938	1	50	0.0	-69.82	396.85	10.36	-59.46
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300005066939	0	52	0.0	-66.01	407.92	9.69	-56.32
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300005066939	1	52	0.0	-66.01	407.92	9.69	-56.32
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005066940	0	59	0.0	-83.00	444.80	12.31	-70.69
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005066940	1	59	0.0	-83.00	444.80	12.31	-70.69
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300005066941	0	52	0.0	-92.36	394.82	9.05	-83.31
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300005066941	1	52	0.0	-92.36	394.82	9.05	-83.31
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005066942	0	57	0.0	-83.05	433.25	12.00	-71.05
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005066942	1	57	0.0	-83.05	433.25	12.00	-71.05
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])O1	REAL300005066943	0	50	0.0	-67.02	385.14	9.21	-57.81
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])O1	REAL300005066943	1	50	0.0	-67.02	385.14	9.21	-57.81
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005066944	0	59	0.0	-76.18	436.16	12.04	-64.14
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005066944	1	59	0.0	-76.18	436.16	12.04	-64.14
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300005066945	0	56	0.0	-85.11	427.24	11.87	-73.24
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300005066945	1	56	0.0	-85.11	427.24	11.87	-73.24
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CC1	REAL300005066946	0	50	0.0	-60.61	375.73	10.00	-50.61
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CC1	REAL300005066946	1	50	0.0	-60.61	375.73	10.00	-50.61
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CC1	REAL300005066947	0	50	0.0	-60.61	375.73	10.00	-50.61
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CC1	REAL300005066947	1	50	0.0	-60.61	375.73	10.00	-50.61
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1CCCC(C(=O)[O-])C1	REAL300005066948	0	59	0.0	-87.97	427.92	11.63	-76.34
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1CCCC(C(=O)[O-])C1	REAL300005066948	1	59	0.0	-87.97	427.92	11.63	-76.34
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300005066949	0	52	0.0	-78.87	394.62	9.03	-69.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300005066949	1	52	0.0	-78.87	394.62	9.03	-69.84
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005066950	0	52	0.0	-69.52	396.11	9.08	-60.44
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005066950	1	52	0.0	-69.52	396.11	9.08	-60.44
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC(C)(C)CC(=O)[O-]	REAL300005066951	0	58	0.0	-78.25	407.89	10.25	-68.00
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC(C)(C)CC(=O)[O-]	REAL300005066951	1	58	0.0	-78.25	407.89	10.25	-68.00
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300005066952	0	53	0.0	-75.81	407.09	11.27	-64.54
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300005066952	1	53	0.0	-75.81	407.09	11.27	-64.54
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300005066953	0	51	0.0	-71.97	391.69	7.22	-64.75
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300005066953	1	51	0.0	-71.97	391.69	7.22	-64.75
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300005066954	0	59	0.0	-78.54	434.60	11.62	-66.92
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300005066954	1	59	0.0	-78.54	434.60	11.62	-66.92
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1CCC(C(=O)[O-])CC1	REAL300005066955	0	59	0.0	-84.04	416.98	10.86	-73.18
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1CCC(C(=O)[O-])CC1	REAL300005066955	1	59	0.0	-84.04	416.98	10.86	-73.18
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300005066956	0	56	0.0	-84.85	427.23	11.88	-72.97
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300005066956	1	56	0.0	-84.85	427.23	11.88	-72.97
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300005066957	0	52	0.0	-85.89	404.41	7.85	-78.04
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300005066957	1	52	0.0	-85.89	404.41	7.85	-78.04
CC1=NC(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300005066958	0	55	0.0	-71.25	416.04	9.69	-61.56
CC1=NC(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300005066958	1	55	0.0	-71.25	416.04	9.69	-61.56
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005066959	0	53	0.0	-76.06	402.55	11.19	-64.87
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005066959	1	53	0.0	-76.06	402.55	11.19	-64.87
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300005066960	0	56	0.0	-78.83	411.05	10.76	-68.07
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300005066960	1	56	0.0	-78.83	411.05	10.76	-68.07
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005066961	0	56	0.0	-83.98	420.92	11.58	-72.40
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005066961	1	56	0.0	-83.98	420.92	11.58	-72.40
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300005066962	0	53	0.0	-84.34	412.26	10.34	-74.00
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300005066962	1	53	0.0	-84.34	412.26	10.34	-74.00
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005066963	0	56	0.0	-66.09	431.86	10.73	-55.36
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300005066963	1	56	0.0	-66.09	431.86	10.73	-55.36
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300005066964	0	52	0.0	-78.79	400.66	9.72	-69.07
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300005066964	1	52	0.0	-78.79	400.66	9.72	-69.07
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C12CC(C(=O)[O-])(C1)C2	REAL300005066965	0	54	0.0	-77.51	406.53	11.01	-66.50
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C12CC(C(=O)[O-])(C1)C2	REAL300005066965	1	54	0.0	-77.51	406.53	11.01	-66.50
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CCC1	REAL300005066966	0	53	0.0	-62.25	389.84	10.43	-51.82
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CCC1	REAL300005066966	1	53	0.0	-62.25	389.84	10.43	-51.82
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C(C)(C)C(=O)[O-]	REAL300005066967	0	52	0.0	-83.99	378.61	10.02	-73.97
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C(C)(C)C(=O)[O-]	REAL300005066967	1	52	0.0	-83.99	378.61	10.02	-73.97
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1CCC(C(=O)[O-])CC1	REAL300005066968	0	62	0.0	-74.86	436.52	11.53	-63.33
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1CCC(C(=O)[O-])CC1	REAL300005066968	1	62	0.0	-74.86	436.52	11.53	-63.33
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300005066969	0	60	0.0	-87.84	432.56	11.20	-76.64
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300005066969	1	60	0.0	-87.84	432.56	11.20	-76.64
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005066970	0	63	0.0	-77.84	446.15	12.09	-65.75
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005066970	1	63	0.0	-77.84	446.15	12.09	-65.75
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC(C)(C)CC(=O)[O-]	REAL300005066971	0	58	0.0	-78.25	407.89	10.25	-68.00
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC(C)(C)CC(=O)[O-]	REAL300005066971	1	58	0.0	-78.25	407.89	10.25	-68.00
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCCC(=O)[O-]	REAL300005066972	0	52	0.0	-81.82	385.54	9.42	-72.40
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCCC(=O)[O-]	REAL300005066972	1	52	0.0	-81.82	385.54	9.42	-72.40
CC(CC(=O)[O-])CC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300005066973	0	55	0.0	-81.29	402.51	10.49	-70.80
CC(CC(=O)[O-])CC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005066973	1	55	0.0	-81.29	402.51	10.49	-70.80
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=NOC(C(=O)[O-])=C1	REAL300005066974	0	49	0.0	-68.48	390.67	8.99	-59.49
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=NOC(C(=O)[O-])=C1	REAL300005066974	1	49	0.0	-68.48	390.67	8.99	-59.49
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CCCC1	REAL300005066975	0	56	0.0	-58.02	406.70	10.86	-47.16
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CCCC1	REAL300005066975	1	56	0.0	-58.02	406.70	10.86	-47.16
CC1=C(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)C=C(C(=O)[O-])O1	REAL300005066976	0	53	0.0	-71.69	403.47	9.98	-61.71
CC1=C(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)C=C(C(=O)[O-])O1	REAL300005066976	1	53	0.0	-71.69	403.47	9.98	-61.71
CC1=C(C(=O)[O-])OC(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)=C1	REAL300005066977	0	53	0.0	-67.05	407.41	10.40	-56.65
CC1=C(C(=O)[O-])OC(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)=C1	REAL300005066977	1	53	0.0	-67.05	407.41	10.40	-56.65
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300005066978	0	53	0.0	-82.40	409.28	9.33	-73.07
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300005066978	1	53	0.0	-82.40	409.28	9.33	-73.07
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300005066979	0	54	0.0	-70.24	429.35	11.00	-59.24
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300005066979	1	54	0.0	-70.24	429.35	11.00	-59.24
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300005066980	0	60	0.0	-55.41	433.47	11.90	-43.51
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300005066980	1	60	0.0	-55.41	433.47	11.90	-43.51
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005066981	0	57	0.0	-75.61	433.57	11.48	-64.13
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005066981	1	57	0.0	-75.61	433.57	11.48	-64.13
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCSCC(=O)[O-]	REAL300005066982	0	53	0.0	-76.52	408.57	10.01	-66.51
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCSCC(=O)[O-]	REAL300005066982	1	53	0.0	-76.52	408.57	10.01	-66.51
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005066983	0	52	0.0	-69.52	396.11	9.08	-60.44
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005066983	1	52	0.0	-69.52	396.11	9.08	-60.44
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)COCC(=O)[O-]	REAL300005066984	0	50	0.0	-84.98	382.07	9.29	-75.69
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)COCC(=O)[O-]	REAL300005066984	1	50	0.0	-84.98	382.07	9.29	-75.69
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300005066985	0	53	0.0	-76.30	405.50	9.09	-67.21
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300005066985	1	53	0.0	-76.30	405.50	9.09	-67.21
C[C@@H]1C[C@H](C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)O[C@H]1C(=O)[O-]	REAL300005066986	0	57	0.0	-85.52	421.07	10.34	-75.18
C[C@@H]1C[C@H](C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)O[C@H]1C(=O)[O-]	REAL300005066986	1	57	0.0	-85.52	421.07	10.34	-75.18
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C(C)(C)CCC(=O)[O-]	REAL300005066987	0	58	0.0	-84.41	416.70	10.36	-74.05
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C(C)(C)CCC(=O)[O-]	REAL300005066987	1	58	0.0	-84.41	416.70	10.36	-74.05
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300005066988	0	56	0.0	-73.65	424.74	11.96	-61.69
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300005066988	1	56	0.0	-73.65	424.74	11.96	-61.69
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005066989	0	57	0.0	-77.57	434.64	12.48	-65.09
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005066989	1	57	0.0	-77.57	434.64	12.48	-65.09
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300005066990	0	54	0.0	-79.89	417.80	10.25	-69.64
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300005066990	1	54	0.0	-79.89	417.80	10.25	-69.64
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300005066991	0	59	0.0	-88.11	437.73	12.93	-75.18
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300005066991	1	59	0.0	-88.11	437.73	12.93	-75.18
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300005066992	0	54	0.0	-74.99	419.34	10.61	-64.38
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300005066992	1	54	0.0	-74.99	419.34	10.61	-64.38
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300005066993	0	56	0.0	-78.83	411.05	10.76	-68.07
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300005066993	1	56	0.0	-78.83	411.05	10.76	-68.07
CC1=CC=C(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300005066994	0	56	0.0	-89.84	414.71	11.35	-78.49
CC1=CC=C(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300005066994	1	56	0.0	-89.84	414.71	11.35	-78.49
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300005066995	0	52	0.0	-81.93	393.89	9.02	-72.91
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300005066995	1	52	0.0	-81.93	393.89	9.02	-72.91
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005066996	0	55	0.0	-65.62	410.17	9.68	-55.94
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300005066996	1	55	0.0	-65.62	410.17	9.68	-55.94
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300005066997	0	53	0.0	-90.04	408.66	9.35	-80.69
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300005066997	1	53	0.0	-90.04	408.66	9.35	-80.69
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005066998	0	59	0.0	-98.64	448.42	10.36	-88.28
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005066998	1	59	0.0	-98.64	448.42	10.36	-88.28
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300005066999	0	53	0.0	-71.54	387.37	9.68	-61.86
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300005066999	1	53	0.0	-71.54	387.37	9.68	-61.86
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005067000	0	60	0.0	-88.01	442.60	10.78	-77.23
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005067000	1	60	0.0	-88.01	442.60	10.78	-77.23
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300005067001	0	60	0.0	-75.71	445.13	10.01	-65.70
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300005067001	1	60	0.0	-72.68	444.72	9.99	-62.69
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300005067002	0	53	0.0	-88.95	396.49	11.51	-77.44
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300005067002	1	53	0.0	-71.54	387.37	9.68	-61.86
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300005067003	0	50	0.0	-84.03	383.70	9.90	-74.13
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300005067003	1	50	0.0	-71.70	384.66	9.86	-61.84
CC1=C(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)OC(C(=O)[O-])=C1	REAL300005067004	0	53	0.0	-67.03	407.30	10.51	-56.52
CC1=C(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)OC(C(=O)[O-])=C1	REAL300005067004	1	53	0.0	-67.24	402.94	9.89	-57.35
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300005067005	0	61	0.0	-70.35	441.35	12.51	-57.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300005067005	1	61	0.0	-59.26	426.94	12.73	-46.53
CCC(C(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300005067006	0	52	0.0	-64.33	383.52	9.25	-55.08
CCC(C(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005067006	1	52	0.0	-62.71	389.41	9.93	-52.78
CC(C)C(C(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300005067007	0	55	0.0	-65.29	399.59	9.81	-55.48
CC(C)C(C(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005067007	1	55	0.0	-62.55	405.24	10.51	-52.04
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300005067008	0	59	0.0	-81.32	412.14	11.58	-69.74
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300005067008	1	59	0.0	-82.81	423.19	12.18	-70.63
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CN1CCCC(C(=O)[O-])C1	REAL300005067009	1	61	0.0	-77.32	442.28	9.48	-67.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CN1CCCC(C(=O)[O-])C1	REAL300005067009	1	61	0.0	-72.77	442.46	9.26	-63.51
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300005067010	0	50	0.0	-76.33	386.14	9.95	-66.38
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CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CC=CC1	REAL300005067024	0	54	0.0	-64.31	406.23	10.96	-53.35
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1(C(=O)[O-])CC=CC1	REAL300005067024	1	54	0.0	-64.24	395.22	10.35	-53.89
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300005067025	0	59	0.0	-79.27	453.38	13.00	-66.27
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CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1(CC(=O)[O-])CC1	REAL300005067027	1	56	0.0	-70.58	412.67	10.55	-60.03
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CSC(C(=O)[O-])=N1	REAL300005067028	0	49	0.0	-63.65	392.73	8.57	-55.08
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COC(C(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005067029	1	50	0.0	-66.83	385.83	9.13	-57.70
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300005067030	0	53	0.0	-88.59	396.65	10.88	-77.71
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300005067030	1	53	0.0	-65.97	398.19	10.32	-55.65
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CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300005067034	1	55	0.0	-69.57	412.62	8.75	-60.82
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CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300005067036	1	57	0.0	-79.62	437.08	12.38	-67.24
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CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=C(C(=O)[O-])C=NN1C	REAL300005067039	1	53	0.0	-76.95	404.72	8.23	-68.72
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CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300005067040	1	54	0.0	-70.94	415.27	8.95	-61.99
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CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300005067041	1	56	0.0	-81.60	412.70	11.75	-69.85
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300005067042	0	56	0.0	-84.46	433.39	10.84	-73.62
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300005067042	1	56	0.0	-84.22	429.02	10.23	-73.99
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CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC(C(=O)[O-])=CS1	REAL300005067044	0	50	0.0	-85.43	396.29	10.44	-74.99
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC(C(=O)[O-])=CS1	REAL300005067044	1	50	0.0	-79.60	395.78	10.21	-69.39
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300005067045	0	58	0.0	-76.43	430.18	9.69	-66.74
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300005067045	1	58	0.0	-63.46	422.66	9.58	-53.88
CC(C)[C@]1(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)C[C@H]1C(=O)[O-]	REAL300005067046	0	59	0.0	-83.70	426.75	10.99	-72.71
CC(C)[C@]1(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)C[C@H]1C(=O)[O-]	REAL300005067046	1	59	0.0	-85.67	427.59	10.91	-74.76
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CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300005067048	0	53	0.0	-87.12	414.92	10.64	-76.48
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300005067048	1	53	0.0	-83.48	418.78	11.00	-72.48
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300005067049	0	56	0.0	-94.01	432.31	12.14	-81.87
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300005067049	1	56	0.0	-87.32	431.78	11.90	-75.42
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300005067050	0	56	0.0	-72.83	409.16	10.72	-62.11
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300005067050	1	56	0.0	-63.85	409.41	10.74	-53.11
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005067051	0	63	0.0	-80.88	442.30	11.72	-69.16
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005067051	1	63	0.0	-77.84	446.15	12.09	-65.75
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CSC2=CC=CC=C12	REAL300005067130	0	46	0.0	-47.79	363.47	9.25	-38.54
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CSC2=CC=CC=C12	REAL300005067130	1	46	0.0	-49.73	363.97	9.68	-40.05
COC1=CC=C2C(=C1)CC(C)CC2NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005067353	0	54	0.0	-50.21	399.41	9.00	-41.21
COC1=CC=C2C(=C1)CC(C)CC2NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005067353	1	54	0.0	-46.74	393.72	9.16	-37.58
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CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C(C)N1CC[NH+](C)CC1	REAL300005069651	1	57	0.0	-70.69	402.61	8.51	-62.18
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1CCCC[N@@H+]1C	REAL300005069684	0	52	0.0	-68.71	357.58	9.78	-58.93
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1CCCC[N@H+]1C	REAL300005069684	1	52	0.0	-70.10	354.03	9.82	-60.28
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C[C@@H](C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300005076391	0	46	0.0	-66.35	345.61	9.69	-56.66
C[C@@H](C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005076391	1	46	0.0	-64.79	346.88	9.81	-54.98
C[C@@H](C(=O)[O-])N(C)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005076404	0	47	0.0	-76.43	369.06	9.04	-67.39
C[C@@H](C(=O)[O-])N(C)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005076719	0	49	0.0	-69.20	366.55	10.57	-58.63
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300005076720	1	47	0.0	-78.43	349.15	7.96	-70.47
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300005076720	1	47	0.0	-78.44	349.19	7.98	-70.46
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CC3=CC=CC=C3[C@H]2O)C1	REAL300005076856	0	45	0.0	-50.97	350.93	5.30	-45.67
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CC3=CC=CC=C3[C@H]2O)C1	REAL300005076856	1	45	0.0	-52.11	351.35	5.33	-46.78
CC1=CC=CC(C2=CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=C1C	REAL300005076971	0	54	0.0	-48.67	404.74	12.17	-36.50
CC1=CC=CC(C2=CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=C1C	REAL300005076971	1	54	0.0	-49.49	404.64	12.18	-37.31
CN(CC1=CC=CC(N2CCCC2)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005077104	0	55	0.0	-46.29	411.09	9.99	-36.30
CN(CC1=CC=CC(N2CCCC2)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005077104	1	55	0.0	-44.00	404.05	9.52	-34.48
C[NH+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077353	0	33	0.0	-59.21	292.57	6.85	-52.36
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077374	0	37	0.0	-55.41	319.03	7.84	-47.57
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077374	1	37	0.0	-60.31	311.20	7.44	-52.87
C[C@@H](C(=O)NC(C(=O)[O-])C1=CC=CC=C1I)[NH+](C)C	REAL300005077393	0	36	0.0	-55.70	310.74	7.34	-48.36
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077394	0	37	0.0	-53.51	309.46	7.39	-46.12
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077394	1	37	0.0	-56.51	318.26	7.88	-48.63
C[C@H](C(=O)NC(C(=O)[O-])C1=CC=CC=C1I)[NH+](C)C	REAL300005077397	0	36	0.0	-55.68	309.83	7.34	-48.34
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077421	0	39	0.0	-57.16	330.92	8.32	-48.84
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077421	1	39	0.0	-57.82	332.66	8.29	-49.53
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=CC=C1I)[NH+](C)C	REAL300005077426	0	39	0.0	-53.99	323.00	7.89	-46.10
O=C([O-])C(NC(=O)C[NH+]1CCCC1)C1=CC=CC=C1I	REAL300005077439	0	37	0.0	-57.54	318.88	8.02	-49.52
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077440	1	35	0.0	-55.71	321.12	8.52	-47.19
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077452	0	39	0.0	-56.34	328.66	8.22	-48.12
CCC(C(=O)NC(C(=O)[O-])C1=CC=CC=C1I)[NH+](C)C	REAL300005077457	0	39	0.0	-56.96	322.80	7.87	-49.09
CC(C)[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077468	0	39	0.0	-55.26	326.93	8.05	-47.21
CC(C)[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077468	1	39	0.0	-55.18	326.11	8.10	-47.08
C[N@@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077473	0	37	0.0	-56.58	317.32	7.85	-48.73
C[N@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077473	1	37	0.0	-53.98	312.46	7.45	-46.53
CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C1=CC=CC=C1I	REAL300005077481	0	39	0.0	-55.45	330.64	6.61	-48.84
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1(C2CCCO2)CCC1	REAL300005077619	0	51	0.0	-49.42	372.03	7.53	-41.89
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1(C2CCCO2)CCC1	REAL300005077619	1	51	0.0	-47.53	363.54	7.87	-39.66
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(COC(F)(F)F)CC2)C1	REAL300005077738	0	47	0.0	-44.86	359.20	7.34	-37.52
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(COC(F)(F)F)CC2)C1	REAL300005077738	1	47	0.0	-47.64	366.73	7.79	-39.85
CCC[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005078921	0	49	0.0	-73.45	378.18	9.92	-63.53
CCC[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005079633	0	46	0.0	-56.19	360.75	9.32	-46.87
CCC[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005079633	1	46	0.0	-59.80	361.69	9.29	-50.51
CCC[C@H](NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300005080290	0	49	0.0	-64.76	381.49	9.78	-54.98
CCC[C@H](NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300005080333	1	48	0.0	-71.96	386.03	7.91	-64.05
CCC[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005080376	0	52	0.0	-77.54	411.99	9.39	-68.15
CCC[C@H](NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005080384	0	52	0.0	-77.31	412.78	11.74	-65.57
CCC[C@H](NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005080384	1	52	0.0	-77.38	411.90	11.77	-65.61
CCC[C@H](NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005080385	0	52	0.0	-55.89	391.65	10.29	-45.60
CCC[C@H](NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080420	0	49	0.0	-55.46	393.01	10.04	-45.42
CCC[C@H](NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080420	1	49	0.0	-64.96	393.47	10.00	-54.96
CCC[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005080456	1	49	0.0	-55.86	382.96	9.86	-46.00
CCC[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005080456	1	49	0.0	-62.31	382.11	9.90	-52.41
CCC[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005080457	1	46	0.0	-61.99	362.08	8.84	-53.15
CCC[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005080457	1	46	0.0	-52.50	359.44	8.83	-43.67
CCC[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005080497	0	42	0.0	-78.75	347.16	7.29	-71.46
CCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300005080502	0	52	0.0	-79.47	415.36	9.48	-69.99
CCC[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005080525	0	50	0.0	-76.47	368.81	6.96	-69.51
CCC[C@H](NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300005080540	0	51	0.0	-77.76	374.59	9.36	-68.40
CCC[C@H](NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300005080540	1	51	0.0	-79.82	376.57	9.40	-70.42
CCC[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080560	0	46	0.0	-65.71	361.74	9.17	-56.54
CCC[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080560	1	46	0.0	-65.90	362.93	9.13	-56.77
CCC[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005080561	0	47	0.0	-72.07	357.46	8.35	-63.72
CCC[C@H](NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300005080579	1	51	0.0	-64.20	391.34	7.95	-56.25
CCC[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005080580	0	50	0.0	-67.08	354.66	6.49	-60.59
CCC[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080588	0	52	0.0	-70.81	401.58	10.71	-60.10
CCC[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080588	1	52	0.0	-57.39	395.32	10.90	-46.49
CCC[C@H](NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300005080625	1	50	0.0	-59.77	385.97	6.58	-53.19
CCC[C@H](NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300005080630	0	48	0.0	-50.10	350.48	8.63	-41.47
CCC[C@H](NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300005080631	1	42	0.0	-55.18	349.38	8.66	-46.52
CCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005080643	0	46	0.0	-80.53	360.88	9.29	-71.24
CCC[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005080648	0	49	0.0	-74.06	377.64	9.98	-64.08
CCC[C@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300005080654	0	57	0.0	-69.34	410.85	7.50	-61.84
CCC[C@H](NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300005080656	0	59	0.0	-68.39	461.55	13.27	-55.12
CCC[C@H](NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300005080656	1	59	0.0	-65.88	460.30	13.34	-52.54
CCC[C@H](NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300005080660	1	53	0.0	-83.25	410.94	9.02	-74.23
CCC[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005080670	1	50	0.0	-76.97	385.23	9.19	-67.78
CCC[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005080670	1	50	0.0	-74.10	391.43	9.21	-64.89
CCC[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005080685	0	49	0.0	-52.34	375.75	9.84	-42.50
CCC[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005080685	1	49	0.0	-59.53	376.54	9.78	-49.75
CCC[C@H](NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005080686	1	40	0.0	-79.35	332.04	6.50	-72.85
CCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005080693	0	49	0.0	-80.29	376.80	10.04	-70.25
CCC[C@H](NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300005080703	0	59	0.0	-67.05	447.25	12.71	-54.34
CCC[C@H](NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300005080703	1	59	0.0	-72.36	447.81	12.66	-59.70
CCC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005080708	1	47	0.0	-73.12	364.89	8.50	-64.62
CCC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005080708	1	47	0.0	-57.72	364.97	8.49	-49.23
CCC[C@H](NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300005080712	0	56	0.0	-61.42	417.58	11.54	-49.88
CCC[C@H](NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300005080712	1	56	0.0	-63.06	421.28	11.51	-51.55
CCC[C@H](NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005080720	0	55	0.0	-56.31	416.17	11.12	-45.19
CCC[C@H](NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300005080741	0	49	0.0	-66.16	386.11	5.28	-60.88
CCC[C@H](NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300005080741	1	49	0.0	-66.27	386.09	5.26	-61.01
CCC[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005080750	0	54	0.0	-72.85	412.22	8.79	-64.06
CCC[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300005080770	0	53	0.0	-70.53	394.77	6.62	-63.91
CCC[C@H](NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300005080770	1	53	0.0	-68.65	391.09	6.42	-62.23
CCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300005080774	0	54	0.0	-67.98	411.30	8.69	-59.29
CCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005080775	0	51	0.0	-68.08	389.90	8.02	-60.06
CCC[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005080778	0	48	0.0	-66.94	367.74	8.27	-58.67
CCC[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005080778	1	48	0.0	-64.75	365.42	8.27	-56.48
CCC[C@H](NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005080781	1	46	0.0	-59.64	352.93	9.21	-50.43
CCC[C@H](NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005080781	1	46	0.0	-55.86	352.55	9.20	-46.66
CCC[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080804	0	49	0.0	-71.05	380.17	9.83	-61.22
CCC[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080804	1	49	0.0	-72.42	382.32	9.84	-62.58
CCC[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005080820	0	49	0.0	-67.30	379.22	10.10	-57.20
CCC[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005080820	1	49	0.0	-59.86	376.91	10.10	-49.76
CCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005080823	0	50	0.0	-67.63	388.24	7.46	-60.17
CCC[C@H](NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300005080843	1	49	0.0	-77.44	374.66	8.12	-69.32
CCC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300005080856	0	54	0.0	-70.84	410.61	8.59	-62.25
CCC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300005080856	1	54	0.0	-64.43	409.97	9.00	-55.43
CCC[C@H](NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005080858	0	55	0.0	-61.24	397.70	7.85	-53.39
CCC[C@H](NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005080858	1	55	0.0	-61.70	404.75	8.37	-53.33
CCC[C@H](NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005080859	0	49	0.0	-73.13	357.69	6.58	-66.55
CCC[C@H](NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005080859	1	49	0.0	-82.90	374.33	7.03	-75.87
CCC[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300005080862	0	51	0.0	-74.43	393.92	7.60	-66.83
CCC[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300005080863	0	51	0.0	-77.98	392.98	7.42	-70.56
CCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300005080863	1	51	0.0	-81.64	394.16	7.44	-74.20
CCC[C@H](NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300005080864	0	52	0.0	-79.90	401.07	9.29	-70.61
CCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300005080900	0	53	0.0	-85.03	409.32	7.30	-77.73
CCC[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080902	0	49	0.0	-64.62	378.83	9.90	-54.72
CCC[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080902	1	49	0.0	-58.82	370.46	10.03	-48.79
CCC[C@H](NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080947	0	47	0.0	-61.25	371.55	6.11	-55.14
CCC[C@H](NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005080947	1	47	0.0	-62.07	370.76	6.16	-55.91
CCC[C@H](NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300005080950	0	45	0.0	-54.68	357.13	8.47	-46.21
CCC[C@H](NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300005080952	0	51	0.0	-53.17	391.02	9.85	-43.32
CCC[C@H](NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300005080975	1	52	0.0	-51.42	372.52	7.63	-43.79
CCC[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005080993	1	47	0.0	-81.33	370.87	8.59	-72.74
CCC[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005080993	1	47	0.0	-81.42	371.08	8.55	-72.87
CCC[C@H](NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300005081037	1	48	0.0	-70.07	371.12	7.77	-62.30
CCC[C@H](NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300005081040	0	54	0.0	-82.50	404.09	8.51	-73.99
CCC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005081068	0	49	0.0	-75.08	381.56	9.61	-65.47
CCC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005081068	1	49	0.0	-74.66	382.40	9.68	-64.98
CCC[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005081082	0	50	0.0	-81.06	399.60	9.14	-71.92
CCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005081094	0	46	0.0	-74.71	362.76	8.30	-66.41
CCC[C@H](NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300005081113	0	48	0.0	-71.98	371.86	7.86	-64.12
CCC[C@H](NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300005081113	1	48	0.0	-66.40	370.08	7.93	-58.47
CCC[C@H](NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005081265	0	50	0.0	-75.19	386.00	10.18	-65.01
CCC[C@H](NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005081265	1	50	0.0	-79.00	389.28	10.12	-68.88
CCC[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005081292	1	49	0.0	-52.62	383.03	9.88	-42.74
CCC[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005081292	1	49	0.0	-53.72	372.69	9.73	-43.99
CCC[C@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005081622	0	46	0.0	-81.23	365.87	7.94	-73.29
CCC[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005081671	0	52	0.0	-69.05	397.68	10.60	-58.45
CCC[C@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005081673	1	50	0.0	-82.86	383.42	8.30	-74.56
CCC[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005081673	1	50	0.0	-82.94	383.49	8.31	-74.63
CCC[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300005081711	0	58	0.0	-77.87	433.79	11.11	-66.76
CCC[C@H](NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300005081711	1	58	0.0	-77.87	433.79	11.11	-66.76
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCC2CCC1OC2	REAL300005081776	0	48	0.0	-44.62	337.11	6.01	-38.61
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)=C2C=N1	REAL300005082874	0	52	0.0	-87.40	409.34	11.35	-76.05
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)=C2C=N1	REAL300005083479	0	49	0.0	-80.70	393.60	10.80	-69.90
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)=C2C=N1	REAL300005083479	1	49	0.0	-80.10	392.36	10.79	-69.31
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CC[NH+](C4CC4)CC3)=C2C=N1	REAL300005084358	0	46	0.0	-82.20	357.70	8.98	-73.22
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCC[N@@H+]3C3CC3)=C2C=N1	REAL300005084384	0	43	0.0	-80.90	338.95	7.98	-72.92
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCC[N@H+]3C3CC3)=C2C=N1	REAL300005084384	1	43	0.0	-79.61	337.36	7.97	-71.64
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC4=CC(C(=O)[O-])=NC=C43)CN21	REAL300005084390	1	44	0.0	-75.68	355.40	8.85	-66.83
O=C([O-])C1=CC2=CC=CC(NC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)=C2C=N1	REAL300005084391	0	52	0.0	-80.91	412.89	11.31	-69.60
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300005084469	0	42	0.0	-81.90	321.08	7.54	-74.36
C[N@H+]1CCCCC1C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300005084469	1	42	0.0	-82.12	319.75	7.53	-74.59
CC(C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)N1CC[NH+](C)CC1	REAL300005084470	1	47	0.0	-81.80	360.86	5.96	-75.84
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300005084512	0	42	0.0	-77.79	329.62	7.72	-70.07
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300005084512	1	42	0.0	-82.22	319.42	7.52	-74.70
C[NH+]1CCC(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)CC1	REAL300005084598	0	42	0.0	-84.71	332.84	7.78	-76.93
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005084625	0	37	0.0	-82.03	317.68	9.61	-72.42
C[NH+](C)CC1(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)CCCCC1	REAL300005084662	0	51	0.0	-85.99	372.54	9.55	-76.44
C[N@H+](CCC(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)C1CCCCC1	REAL300005084667	0	51	0.0	-84.42	386.89	9.71	-74.71
C[N@@H+](CCC(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)C1CCCCC1	REAL300005084667	1	51	0.0	-84.86	385.92	9.69	-75.17
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)=C2C=N1	REAL300005084685	1	49	0.0	-85.68	400.14	10.88	-74.80
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)=C2C=N1	REAL300005084685	1	49	0.0	-84.94	398.65	10.85	-74.09
C[NH+]1CCC(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)CC1	REAL300005084735	0	42	0.0	-84.71	332.84	7.78	-76.93
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005084739	0	45	0.0	-81.37	375.95	8.74	-72.63
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCCC[N@@H+]3C3CCCC3)=C2C=N1	REAL300005084759	0	52	0.0	-78.18	381.17	10.05	-68.13
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCCC[N@H+]3C3CCCC3)=C2C=N1	REAL300005084759	1	52	0.0	-78.38	379.87	10.05	-68.33
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCC([NH+]4CCOCC4)CC3)=C2C=N1	REAL300005084760	0	53	0.0	-74.65	393.90	8.27	-66.38
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300005084794	1	43	0.0	-78.98	358.48	9.01	-69.97
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)CCCC[NH+]1CCOCC1	REAL300005084795	1	49	0.0	-85.24	385.77	7.69	-77.55
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=C1)C(C)C	REAL300005084798	0	54	0.0	-82.18	414.38	11.21	-70.97
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=C1)C(C)C	REAL300005084798	1	54	0.0	-82.16	405.93	10.81	-71.35
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)=C2C=N1	REAL300005084852	0	49	0.0	-84.42	391.63	10.51	-73.91
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)=C2C=N1	REAL300005084852	1	49	0.0	-84.87	393.42	10.62	-74.25
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CC[NH+](C4CCSC4)CC3)=C2C=N1	REAL300005084853	0	50	0.0	-90.47	392.06	10.01	-80.46
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005084877	0	53	0.0	-83.67	385.22	7.98	-75.69
CCC(C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)[NH+](CC)CC	REAL300005084881	0	47	0.0	-75.95	349.95	8.26	-67.69
CC(C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)[N@H+](C)CC1=CC=CC=C1	REAL300005084883	1	48	0.0	-82.62	382.47	10.12	-72.50
CC(C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)[N@@H+](C)CC1=CC=CC=C1	REAL300005084883	1	48	0.0	-81.71	382.24	10.14	-71.57
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=N1	REAL300005084916	0	44	0.0	-84.15	361.45	8.13	-76.02
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300005084924	0	53	0.0	-83.59	405.65	10.04	-73.55
CC[N@H+](C)C(C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)C1=CC=CC=C1	REAL300005084925	1	48	0.0	-77.15	381.59	10.21	-66.94
CC[N@@H+](C)C(C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)C1=CC=CC=C1	REAL300005084925	1	48	0.0	-77.90	380.22	10.24	-67.66
C[N@@H+]1CCOC(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C1	REAL300005084927	1	40	0.0	-78.89	319.04	6.30	-72.59
C[N@H+]1CCOC(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C1	REAL300005084927	1	40	0.0	-80.65	317.46	6.30	-74.35
CC[NH+](CC)C(C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)C1=CC=CC=C1	REAL300005084930	0	51	0.0	-78.10	388.54	10.42	-67.68
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300005084939	1	43	0.0	-77.81	353.16	8.83	-68.98
C[NH+](C)C(C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)C1=CC=C(Cl)C=C1	REAL300005084944	1	45	0.0	-83.82	378.98	10.10	-73.72
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005084956	0	49	0.0	-84.95	391.44	10.77	-74.18
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005084963	0	52	0.0	-82.49	407.23	11.46	-71.03
C[NH+](C)CC1(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)CC1	REAL300005084969	0	42	0.0	-82.02	338.88	7.85	-74.17
C[NH+](C)CCCCC(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300005084978	0	44	0.0	-83.27	352.87	8.25	-75.02
CC(C)C(C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21)[NH+](C)C	REAL300005084987	0	44	0.0	-80.92	332.71	7.70	-73.22
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)=C2C=N1	REAL300005085000	0	52	0.0	-79.13	405.23	11.29	-67.84
O=C([O-])C1=CC2=CC=CC(NC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)=C2C=N1	REAL300005085000	1	52	0.0	-80.14	396.64	11.08	-69.06
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005085010	0	52	0.0	-85.11	408.18	11.48	-73.63
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=NOC(C[NH+]4CCCC4)=C3)=C2C=N1	REAL300005085024	1	45	0.0	-87.34	370.89	8.21	-79.13
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CC1(C)CCCC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)C1	REAL300005087130	0	59	0.0	-48.55	425.75	12.01	-36.54
CC1(C)CCCC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)C1	REAL300005087130	1	59	0.0	-49.27	420.55	12.00	-37.27
CC1(C)CC[N@H+](CCNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300005087259	0	47	0.0	-81.79	369.52	8.01	-73.78
CC1(C)CC[N@@H+](CCNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300005087259	1	47	0.0	-81.82	370.03	8.02	-73.80
CC(SC1=CC=CC=C1C(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300005087260	0	50	0.0	-80.10	391.29	9.48	-70.62
CC(SC1=CC=CC=C1C(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300005087260	1	50	0.0	-81.18	391.79	9.50	-71.68
CCOC1=CC(C(=O)NCC[N@@H+]2CCC(C)(C)C2)=CC=C1OCC(=O)[O-]	REAL300005087261	0	54	0.0	-81.14	421.01	8.70	-72.44
CCOC1=CC(C(=O)NCC[N@H+]2CCC(C)(C)C2)=CC=C1OCC(=O)[O-]	REAL300005087261	1	54	0.0	-81.17	420.51	8.69	-72.48
CC1(C)CC[N@H+](CCNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005087262	0	49	0.0	-79.28	384.49	9.23	-70.05
CC1(C)CC[N@@H+](CCNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005087262	1	49	0.0	-79.20	385.01	9.24	-69.96
CC1(C)CC[N@H+](CCNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005087263	0	47	0.0	-79.31	372.96	8.93	-70.38
CC1(C)CC[N@@H+](CCNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005087263	1	47	0.0	-79.21	373.47	8.94	-70.27
CC1(C)CC[N@H+](CCNC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005087264	0	51	0.0	-77.91	417.14	4.12	-73.79
CC1(C)CC[N@@H+](CCNC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005087264	1	51	0.0	-77.86	417.66	4.13	-73.73
CC1(C)CC[N@H+](CCNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005087265	0	45	0.0	-76.81	366.60	8.39	-68.42
CC1(C)CC[N@@H+](CCNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005087265	1	45	0.0	-76.78	367.10	8.40	-68.38
CC1(C)CC[N@H+](CCNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005087266	0	45	0.0	-76.81	366.60	8.39	-68.42
CC1(C)CC[N@@H+](CCNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005087266	1	45	0.0	-76.78	367.10	8.40	-68.38
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C=C1	REAL300005087267	0	53	0.0	-82.05	413.39	9.29	-72.76
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC[N@H+]2CCC(C)(C)C2)C=C1	REAL300005087267	1	53	0.0	-82.03	413.40	9.30	-72.73
CC1(C)CC[N@H+](CCNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300005087268	0	50	0.0	-76.61	396.60	8.75	-67.86
CC1(C)CC[N@@H+](CCNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300005087268	1	50	0.0	-88.34	395.94	9.34	-79.00
CC1(C)CC[N@H+](CCNC(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300005087269	0	49	0.0	-68.44	375.93	8.96	-59.48
CC1(C)CC[N@@H+](CCNC(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300005087269	1	49	0.0	-68.13	376.36	8.97	-59.16
CC1=CC(C(=O)NCC[N@@H+]2CCC(C)(C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300005087270	0	53	0.0	-78.13	411.13	9.48	-68.65
CC1=CC(C(=O)NCC[N@H+]2CCC(C)(C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300005087270	1	53	0.0	-78.13	411.14	9.47	-68.66
CC1(C)CC[N@H+](CCNC(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300005087271	0	46	0.0	-82.23	363.09	8.41	-73.82
CC1(C)CC[N@@H+](CCNC(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300005087271	1	46	0.0	-82.26	363.62	8.42	-73.84
CC1(C)CC[N@H+](CCNC(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300005087272	0	43	0.0	-76.19	342.96	7.82	-68.37
CC1(C)CC[N@@H+](CCNC(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300005087272	1	43	0.0	-76.20	342.93	7.80	-68.40
CC1(C)CC[N@H+](CCNC(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005087273	0	46	0.0	-85.46	363.09	8.42	-77.04
CC1(C)CC[N@@H+](CCNC(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005087273	1	46	0.0	-85.46	363.61	8.43	-77.03
CC1=NC(C(=O)NCC[N@@H+]2CCC(C)(C)C2)=CC=C1C(=O)[O-]	REAL300005087274	0	45	0.0	-66.57	356.22	6.62	-59.95
CC1=NC(C(=O)NCC[N@H+]2CCC(C)(C)C2)=CC=C1C(=O)[O-]	REAL300005087274	1	45	0.0	-65.03	352.40	6.51	-58.52
CC1(C)CC[N@H+](CCNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300005087275	0	43	0.0	-77.53	359.73	8.34	-69.19
CC1(C)CC[N@@H+](CCNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300005087275	1	43	0.0	-77.54	360.23	8.35	-69.19
CC1(C)CC[N@H+](CCNC(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300005087276	0	46	0.0	-77.62	360.62	8.50	-69.12
CC1(C)CC[N@@H+](CCNC(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300005087276	1	46	0.0	-77.64	361.13	8.51	-69.13
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CC1(C)CC[N@@H+](CCNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300005087277	1	53	0.0	-67.90	404.48	11.09	-56.81
CC1=COC(CC(=O)[O-])=C1C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300005087278	0	46	0.0	-54.75	368.25	7.29	-47.46
CC1=COC(CC(=O)[O-])=C1C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300005087278	1	46	0.0	-72.54	367.73	7.28	-65.26
CC1(C)CC[N@H+](CCNC(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300005087279	0	52	0.0	-79.60	383.22	8.67	-70.93
CC1(C)CC[N@@H+](CCNC(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300005087279	1	52	0.0	-79.68	383.74	8.68	-71.00
CC1(C)CC[N@H+](CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300005087280	0	50	0.0	-70.39	372.56	8.10	-62.29
CC1(C)CC[N@@H+](CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300005087280	1	50	0.0	-82.94	372.56	8.14	-74.80
CC1(C)CC[N@H+](CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300005087281	0	53	0.0	-77.63	382.03	8.65	-68.98
CC1(C)CC[N@@H+](CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300005087281	1	53	0.0	-77.58	382.31	8.63	-68.95
CC1(C)CC[N@H+](CCNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300005087282	0	45	0.0	-75.66	360.31	7.04	-68.62
CC1(C)CC[N@@H+](CCNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300005087282	1	45	0.0	-75.64	360.27	7.03	-68.61
CC1(C)CC[N@H+](CCNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300005087283	0	50	0.0	-79.95	390.57	8.45	-71.50
CC1(C)CC[N@@H+](CCNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300005087283	1	50	0.0	-79.93	390.55	8.44	-71.49
CC1(C)CC[N@H+](CCNC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005087284	0	56	0.0	-72.91	417.38	10.63	-62.28
CC1(C)CC[N@@H+](CCNC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005087284	1	56	0.0	-72.95	417.34	10.63	-62.32
CC1(C)CC[N@H+](CCNC(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300005087285	0	44	0.0	-66.56	358.29	7.31	-59.25
CC1(C)CC[N@@H+](CCNC(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300005087285	1	44	0.0	-66.59	358.43	7.33	-59.26
CC1(C)CC[N@H+](CCNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300005087286	0	50	0.0	-51.85	369.62	8.44	-43.41
CC1(C)CC[N@@H+](CCNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300005087286	1	50	0.0	-50.09	368.59	8.53	-41.56
CC1(C)CC[N@H+](CCNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300005087287	0	47	0.0	-75.46	369.43	8.01	-67.45
CC1(C)CC[N@@H+](CCNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300005087287	1	47	0.0	-75.47	369.41	8.02	-67.45
CC1(C)CC[N@H+](CCNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300005087288	0	52	0.0	-82.06	406.85	8.27	-73.79
CC1(C)CC[N@@H+](CCNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300005087288	1	52	0.0	-82.43	406.98	8.29	-74.14
CC1(C)CC[N@H+](CCNC(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300005087289	0	46	0.0	-72.03	360.60	8.51	-63.52
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CC(C)[N@H+]1CCCC1C(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300005101794	1	48	0.0	-76.99	350.90	9.17	-67.82
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CCC[N@@H+]1CCCC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005102009	0	51	0.0	-69.95	371.50	9.55	-60.40
CCC[N@H+]1CCCC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005102009	1	51	0.0	-72.50	374.50	9.84	-62.66
CC(C)C[N@@H+]1CCCC1C(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300005102040	0	51	0.0	-74.12	380.30	9.80	-64.32
CC(C)C[N@H+]1CCCC1C(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300005102040	1	51	0.0	-74.47	377.62	9.45	-65.02
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CC(C)[N@@H+]1CCCC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005102267	0	51	0.0	-75.31	378.50	9.51	-65.80
CC(C)[N@H+]1CCCC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005102267	1	51	0.0	-82.70	378.30	9.52	-73.18
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C[N@H+]1CC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C(C(F)(F)F)C1	REAL300005102268	1	45	0.0	-89.26	349.80	8.15	-81.11
CC1=C(C)[NH+]=C(CCC(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)N1	REAL300005102294	1	46	0.0	-72.99	370.30	8.16	-64.83
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300005102785	0	51	0.0	-82.89	394.07	10.56	-72.33
C[NH+](C)CCOC1=CC=C(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300005102792	0	52	0.0	-78.75	397.49	9.49	-69.26
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005102929	0	45	0.0	-75.54	348.81	8.55	-66.99
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)CC1	REAL300005102933	0	51	0.0	-77.40	369.16	9.28	-68.12
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CC(C)C[N@@H+]1CCCC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005102999	0	54	0.0	-85.06	400.67	10.44	-74.62
CC(C)C[N@H+]1CCCC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005102999	1	54	0.0	-71.22	388.70	10.42	-60.80
CC[N@@H+]1CCCC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005103000	0	48	0.0	-70.42	349.84	8.98	-61.44
CC[N@H+]1CCCC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005103000	1	48	0.0	-68.41	349.80	8.81	-59.60
C[N@@H+]1CCCC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005103005	0	45	0.0	-76.59	344.49	8.34	-68.25
C[N@H+]1CCCC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005103005	1	45	0.0	-70.87	335.18	8.52	-62.35
C[NH+](C)CC1=CC=C(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)O1	REAL300005103007	1	45	0.0	-85.16	361.86	8.63	-76.53
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005103013	0	54	0.0	-79.96	380.48	9.41	-70.55
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300005103013	1	54	0.0	-81.11	371.91	8.93	-72.18
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O=C([O-])C1(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300005103055	1	51	0.0	-63.11	382.59	10.37	-52.74
O=C([O-])C1CCCC(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300005103056	0	60	0.0	-93.10	429.30	11.65	-81.45
O=C([O-])C1CCCC(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300005103056	1	60	0.0	-89.85	439.33	11.98	-77.87
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O=C([O-])C1=CC=C(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)N=C1	REAL300005103058	1	53	0.0	-71.90	407.32	10.10	-61.80
CC(C)(CC(=O)[O-])CC(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103059	0	59	0.0	-73.27	417.72	10.98	-62.29
CC(C)(CC(=O)[O-])CC(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103059	1	59	0.0	-80.82	423.71	11.21	-69.61
O=C([O-])C1=CC=C(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C(F)=C1	REAL300005103060	0	54	0.0	-75.78	412.99	11.61	-64.17
O=C([O-])C1=CC=C(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C(F)=C1	REAL300005103060	1	54	0.0	-82.75	414.63	11.91	-70.84
O=C([O-])C1=CN=C(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=N1	REAL300005103061	0	52	0.0	-70.35	407.94	8.76	-61.59
O=C([O-])C1=CN=C(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=N1	REAL300005103061	1	52	0.0	-74.31	402.88	8.24	-66.07
O=C([O-])[C@H]1CC[C@H](C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300005103062	0	60	0.0	-75.21	434.70	11.80	-63.41
O=C([O-])[C@H]1CC[C@H](C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300005103062	1	60	0.0	-80.38	439.15	11.99	-68.39
O=C([O-])C1CCC(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300005103063	0	60	0.0	-75.27	434.69	11.80	-63.47
O=C([O-])C1CCC(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300005103063	1	60	0.0	-76.27	437.18	12.07	-64.20
O=C([O-])C1=CC=C(CC(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300005103064	0	57	0.0	-93.43	434.34	12.25	-81.18
O=C([O-])C1=CC=C(CC(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300005103064	1	57	0.0	-86.96	439.24	12.47	-74.49
O=C([O-])C1=CN(CC(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)N=N1	REAL300005103065	0	53	0.0	-85.58	410.37	8.22	-77.36
O=C([O-])C1=CN(CC(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)N=N1	REAL300005103065	1	53	0.0	-88.92	416.41	8.44	-80.48
CC1=NC(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CC=C1C(=O)[O-]	REAL300005103066	0	56	0.0	-68.42	428.62	11.13	-57.29
CC1=NC(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CC=C1C(=O)[O-]	REAL300005103066	1	56	0.0	-72.15	423.59	10.62	-61.53
O=C([O-])C1=CC=C(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300005103067	0	54	0.0	-81.95	409.47	11.56	-70.39
O=C([O-])C1=CC=C(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300005103067	1	54	0.0	-81.96	410.14	11.85	-70.11
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300005103068	0	57	0.0	-80.36	416.97	11.13	-69.23
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300005103068	1	57	0.0	-88.16	421.74	11.35	-76.81
O=C([O-])CC1=CC=CC(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300005103069	0	57	0.0	-87.53	431.67	12.33	-75.20
O=C([O-])CC1=CC=CC(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300005103069	1	57	0.0	-87.33	436.76	12.54	-74.79
O=C([O-])CC1=C(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=CO1	REAL300005103070	0	54	0.0	-75.09	410.93	10.45	-64.64
O=C([O-])CC1=C(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=CO1	REAL300005103070	1	54	0.0	-79.16	417.20	10.72	-68.44
CC1=COC(CC(=O)[O-])=C1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103071	0	57	0.0	-79.34	437.79	11.08	-68.26
CC1=COC(CC(=O)[O-])=C1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103071	1	57	0.0	-84.45	443.83	11.31	-73.14
O=C([O-])C1=CC=NC(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300005103072	0	53	0.0	-73.57	405.20	9.82	-63.75
O=C([O-])C1=CC=NC(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300005103072	1	53	0.0	-74.94	408.58	10.14	-64.80
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O=C([O-])C12CC(C(=O)NC3CC[C@@H]4C[N@@H+](CC5=CC=CC=C5)C[C@@H]4C3)(C1)C2	REAL300005103073	1	55	0.0	-79.80	413.43	11.38	-68.42
O=C([O-])C1(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCC1	REAL300005103074	0	54	0.0	-54.94	396.30	11.35	-43.59
O=C([O-])C1(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCC1	REAL300005103074	1	54	0.0	-45.07	388.96	11.36	-33.71
CC(C)(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103075	0	53	0.0	-88.24	389.62	10.77	-77.47
CC(C)(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103075	1	53	0.0	-79.26	390.94	11.05	-68.21
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O=C([O-])CSCCC(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103088	0	54	0.0	-72.91	418.39	10.74	-62.17
O=C([O-])CSCCC(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103088	1	54	0.0	-73.86	420.89	11.03	-62.83
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O=C([O-])COCC(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103090	0	51	0.0	-87.80	388.83	9.42	-78.38
O=C([O-])COCC(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103090	1	51	0.0	-87.66	393.49	9.62	-78.04
CN1N=C(C(=O)[O-])C=C1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103091	0	54	0.0	-76.47	411.18	9.19	-67.28
CN1N=C(C(=O)[O-])C=C1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103091	1	54	0.0	-78.68	412.70	9.50	-69.18
C[C@@H]1C[C@H](C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)O[C@H]1C(=O)[O-]	REAL300005103092	0	58	0.0	-89.35	432.08	11.09	-78.26
C[C@@H]1C[C@H](C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)O[C@H]1C(=O)[O-]	REAL300005103092	1	58	0.0	-82.93	437.10	11.31	-71.62
CC(C)(CCC(=O)[O-])C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103093	0	59	0.0	-87.78	427.71	11.13	-76.65
CC(C)(CCC(=O)[O-])C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103093	1	59	0.0	-88.60	428.77	11.59	-77.01
O=C([O-])CC1=CC=C(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300005103094	0	57	0.0	-72.60	430.80	12.34	-60.26
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O=C([O-])C1=CC=C(C=CC(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)O1	REAL300005103096	1	55	0.0	-75.80	435.18	11.60	-64.20
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300005103097	0	57	0.0	-80.36	416.97	11.13	-69.23
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300005103097	1	57	0.0	-88.16	421.74	11.35	-76.81
CC1=CC=C(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1C(=O)[O-]	REAL300005103098	0	57	0.0	-93.32	425.68	12.11	-81.21
CC1=CC=C(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1C(=O)[O-]	REAL300005103098	1	57	0.0	-94.55	434.63	12.42	-82.13
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CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103100	0	56	0.0	-66.55	419.94	10.41	-56.14
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103100	1	56	0.0	-68.01	425.98	10.66	-57.35
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O=C([O-])C1=NN(CC(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300005103101	1	54	0.0	-94.45	417.15	9.99	-84.46
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103102	0	54	0.0	-78.12	395.22	11.65	-66.47
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103102	1	54	0.0	-82.51	401.56	11.86	-70.65
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O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103103	1	54	0.0	-82.51	401.56	11.86	-70.65
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103104	0	51	0.0	-87.02	383.57	10.07	-76.95
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CC1=C(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)OC(C(=O)[O-])=C1	REAL300005103105	1	54	0.0	-69.23	415.22	10.91	-58.32
CCC(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103106	0	53	0.0	-66.75	393.17	10.01	-56.74
CCC(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103106	1	53	0.0	-64.55	399.57	10.25	-54.30
CC(C)C(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103107	0	56	0.0	-58.62	403.99	10.65	-47.97
CC(C)C(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103107	1	56	0.0	-72.66	409.74	10.56	-62.10
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103108	0	60	0.0	-72.26	421.54	12.29	-59.97
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103108	1	60	0.0	-87.55	427.77	12.53	-75.02
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O=C([O-])C1CCCN(CC(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300005103109	1	62	0.0	-78.54	451.19	9.59	-68.95
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CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103113	0	60	0.0	-94.68	446.88	13.12	-81.56
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103113	1	60	0.0	-92.86	446.13	12.55	-80.31
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103114	0	57	0.0	-68.92	424.50	12.22	-56.70
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103114	1	57	0.0	-57.96	422.58	13.24	-44.72
CC1(C(=O)[O-])CC(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300005103115	0	57	0.0	-75.66	414.25	10.85	-64.81
CC1(C(=O)[O-])CC(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300005103115	1	57	0.0	-87.63	422.47	11.55	-76.08
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CCCC(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103119	0	56	0.0	-67.11	414.67	10.79	-56.32
CCCC(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103119	1	56	0.0	-65.98	411.07	11.11	-54.87
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103120	0	57	0.0	-76.51	424.48	12.21	-64.30
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103120	1	57	0.0	-81.55	426.13	12.52	-69.03
O=C([O-])C1CC2(C1)CC(C(=O)NC1CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C1)C2	REAL300005103121	0	61	0.0	-75.49	449.10	12.41	-63.08
O=C([O-])C1CC2(C1)CC(C(=O)NC1CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C1)C2	REAL300005103121	1	61	0.0	-82.35	450.58	12.68	-69.67
CN1C(C(=O)[O-])=CC=C1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103122	0	55	0.0	-75.93	411.34	10.73	-65.20
CN1C(C(=O)[O-])=CC=C1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103122	1	55	0.0	-74.07	408.83	11.76	-62.31
O=C([O-])C1(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC=CC1	REAL300005103123	0	55	0.0	-68.12	405.34	11.08	-57.04
O=C([O-])C1(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC=CC1	REAL300005103123	1	55	0.0	-67.99	411.16	11.32	-56.67
CC1=NNC(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1C(=O)[O-]	REAL300005103124	0	54	0.0	-86.94	404.73	10.20	-76.74
CC1=NNC(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1C(=O)[O-]	REAL300005103124	1	54	0.0	-78.57	406.49	9.66	-68.91
O=C([O-])CC1(CC(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300005103125	0	57	0.0	-74.91	426.39	11.87	-63.04
O=C([O-])CC1(CC(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300005103125	1	57	0.0	-75.35	421.45	11.57	-63.78
O=C([O-])C1=NC(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CS1	REAL300005103126	0	50	0.0	-56.06	404.62	9.50	-46.56
O=C([O-])C1=NC(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CS1	REAL300005103126	1	50	0.0	-66.42	399.58	8.96	-57.46
COC(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103127	0	51	0.0	-69.54	385.02	9.30	-60.24
COC(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103127	1	51	0.0	-69.68	390.41	9.48	-60.20
C[C@]1(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C[C@H]1C(=O)[O-]	REAL300005103128	0	54	0.0	-73.15	409.82	11.27	-61.88
C[C@]1(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C[C@H]1C(=O)[O-]	REAL300005103128	1	54	0.0	-91.25	403.60	11.26	-79.99
CC1=C(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C(C(=O)[O-])S1	REAL300005103129	0	54	0.0	-70.20	418.74	11.40	-58.80
CC1=C(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C(C(=O)[O-])S1	REAL300005103129	1	54	0.0	-70.72	419.37	11.69	-59.03
O=C([O-])C12CC(C(=O)NC3CC[C@@H]4C[N@H+](CC5=CC=CC=C5)C[C@@H]4C3)(C1)OC2	REAL300005103130	0	56	0.0	-70.34	418.62	9.12	-61.22
O=C([O-])C12CC(C(=O)NC3CC[C@@H]4C[N@@H+](CC5=CC=CC=C5)C[C@@H]4C3)(C1)OC2	REAL300005103130	1	56	0.0	-72.92	425.09	9.38	-63.54
CC(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103131	0	50	0.0	-85.23	370.82	10.25	-74.98
CC(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103131	1	50	0.0	-85.33	371.06	10.50	-74.83
CC1CC1(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103132	0	54	0.0	-59.67	394.87	10.85	-48.82
CC1CC1(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103132	1	54	0.0	-66.01	405.53	10.98	-55.03
O=C([O-])C1(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC2(CCC2)C1	REAL300005103133	0	61	0.0	-65.26	439.60	12.25	-53.01
O=C([O-])C1(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC2(CCC2)C1	REAL300005103133	1	61	0.0	-65.86	445.78	12.57	-53.29
CN1N=CC(C(=O)[O-])=C1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103134	0	54	0.0	-68.48	414.48	8.95	-59.53
CN1N=CC(C(=O)[O-])=C1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103134	1	54	0.0	-72.26	420.12	9.22	-63.04
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103135	0	57	0.0	-91.88	419.28	12.94	-78.94
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103135	1	57	0.0	-90.34	419.95	12.35	-77.99
C=C1CCC1(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103136	0	55	0.0	-61.11	408.66	11.01	-50.10
C=C1CCC1(C(=O)[O-])C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103136	1	55	0.0	-67.13	410.30	11.31	-55.82
O=C([O-])C1=CSC(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300005103137	0	51	0.0	-79.56	401.70	10.55	-69.01
O=C([O-])C1=CSC(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300005103137	1	51	0.0	-87.57	407.57	10.81	-76.76
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103138	0	59	0.0	-79.34	429.86	9.84	-69.50
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103138	1	59	0.0	-80.80	434.71	10.11	-70.69
CC(C)[C@]1(C(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C[C@H]1C(=O)[O-]	REAL300005103139	0	60	0.0	-82.24	437.61	11.64	-70.60
CC(C)[C@]1(C(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C[C@H]1C(=O)[O-]	REAL300005103139	1	60	0.0	-67.63	440.23	12.07	-55.56
O=C([O-])C1=CSC(CC(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300005103140	0	54	0.0	-79.91	424.83	11.38	-68.53
O=C([O-])C1=CSC(CC(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300005103140	1	54	0.0	-91.01	426.33	11.65	-79.36
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103141	0	57	0.0	-81.11	419.22	11.67	-69.44
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300005103141	1	57	0.0	-75.94	417.84	11.39	-64.55
CCN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300005104029	0	49	0.0	-62.41	364.35	10.54	-51.87
CCN(C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(C)C(=O)[O-]	REAL300005105101	1	48	0.0	-59.50	371.99	8.30	-51.20
CCN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300005105136	0	52	0.0	-79.89	401.70	11.13	-68.76
CCN(C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300005105141	0	52	0.0	-73.43	393.70	12.03	-61.40
CCN(C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300005105141	1	52	0.0	-68.89	397.84	12.07	-56.82
CCN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(C)C(=O)[O-]	REAL300005105228	0	42	0.0	-74.04	326.35	7.58	-66.46
CCN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C(C)C(=O)[O-]	REAL300005105245	0	50	0.0	-49.64	346.20	7.29	-42.35
CCN(C(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(C)C(=O)[O-]	REAL300005105257	0	51	0.0	-76.24	361.67	9.63	-66.61
CCN(C(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(C)C(=O)[O-]	REAL300005105257	1	51	0.0	-75.72	362.92	9.76	-65.96
CCN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300005105271	0	46	0.0	-64.47	347.87	9.82	-54.65
CCN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300005105271	1	46	0.0	-64.05	345.35	9.65	-54.40
CCN(C(=O)C1CC[NH+](C2CCSC2)CC1)C(C)C(=O)[O-]	REAL300005105272	0	47	0.0	-76.51	337.41	8.87	-67.64
CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C(C)C(=O)[O-]	REAL300005105290	0	50	0.0	-65.01	339.32	7.31	-57.70
CCN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300005105297	0	52	0.0	-55.53	378.72	11.44	-44.09
CCN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300005105297	1	52	0.0	-58.80	385.20	11.16	-47.64
CCN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(C)C(=O)[O-]	REAL300005105331	0	46	0.0	-79.93	339.71	9.37	-70.56
CCN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(C)C(=O)[O-]	REAL300005105334	0	49	0.0	-64.91	362.69	10.33	-54.58
CCN(C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(C)C(=O)[O-]	REAL300005105340	0	57	0.0	-56.41	396.14	8.14	-48.27
CCN(C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300005105345	1	53	0.0	-84.86	390.62	9.16	-75.70
CCN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300005105354	1	50	0.0	-76.36	370.96	9.91	-66.45
CCN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300005105354	1	50	0.0	-78.91	381.76	10.64	-68.27
CCN(C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(C)C(=O)[O-]	REAL300005105367	1	40	0.0	-70.95	321.69	6.98	-63.97
CCN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(C)C(=O)[O-]	REAL300005105370	0	49	0.0	-80.70	357.03	10.09	-70.61
CCN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300005105381	1	47	0.0	-47.44	354.97	9.17	-38.27
CCN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300005105381	1	47	0.0	-40.40	347.28	9.01	-31.39
CCN(C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300005105389	0	55	0.0	-60.53	393.44	11.60	-48.93
CCN(C(=O)CC[N@H+](C)CCOCCOC)C(C)C(=O)[O-]	REAL300005105406	0	49	0.0	-66.04	370.94	6.03	-60.01
CCN(C(=O)CC[N@@H+](C)CCOCCOC)C(C)C(=O)[O-]	REAL300005105406	1	49	0.0	-64.99	371.17	6.07	-58.92
CCN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300005105412	0	54	0.0	-72.75	401.70	10.50	-62.25
CCN(C(=O)CCCN1CC[NH+](C(C)C)CC1)C(C)C(=O)[O-]	REAL300005105428	0	53	0.0	-67.76	380.03	7.43	-60.33
CCN(C(=O)CCC[NH+]1CCN(C(C)C)CC1)C(C)C(=O)[O-]	REAL300005105428	1	53	0.0	-69.06	379.54	8.06	-61.00
CCN(C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(C)C(=O)[O-]	REAL300005105432	0	54	0.0	-67.15	396.95	9.40	-57.75
CCN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300005105433	0	51	0.0	-67.18	375.55	8.74	-58.44
CCN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(C)C(=O)[O-]	REAL300005105436	0	48	0.0	-69.88	353.83	8.49	-61.39
CCN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(C)C(=O)[O-]	REAL300005105436	1	48	0.0	-62.21	358.42	8.65	-53.56
CCN(C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300005105439	1	46	0.0	-48.14	340.60	9.80	-38.34
CCN(C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300005105439	1	46	0.0	-48.54	337.42	9.75	-38.79
CCN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300005105453	0	49	0.0	-73.80	372.43	11.53	-62.27
CCN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300005105453	1	49	0.0	-70.09	368.22	10.64	-59.45
CCN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(C)C(=O)[O-]	REAL300005105464	0	49	0.0	-71.56	371.74	10.69	-60.87
CCN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(C)C(=O)[O-]	REAL300005105464	1	49	0.0	-53.95	363.87	10.78	-43.17
CCN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(C)C(=O)[O-]	REAL300005105466	0	50	0.0	-67.34	373.28	8.15	-59.19
CCN(C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(C)C(=O)[O-]	REAL300005105490	0	51	0.0	-75.29	381.53	8.01	-67.28
CCN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300005105491	0	51	0.0	-72.57	374.29	7.59	-64.98
CCN(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(C)C(=O)[O-]	REAL300005105491	1	51	0.0	-81.47	373.85	7.58	-73.89
CCN(C(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(C)C(=O)[O-]	REAL300005105492	0	52	0.0	-74.00	375.40	9.17	-64.83
CCN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(C)C(=O)[O-]	REAL300005105516	0	53	0.0	-86.38	391.06	7.85	-78.53
CCN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300005105518	0	49	0.0	-53.47	355.76	10.50	-42.97
CCN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300005105518	1	49	0.0	-54.87	356.64	10.65	-44.22
CCN(C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(C)C(=O)[O-]	REAL300005105583	1	47	0.0	-83.85	351.58	8.76	-75.09
CCN(C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(C)C(=O)[O-]	REAL300005105583	1	47	0.0	-83.18	352.00	8.75	-74.43
CCN(C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(C)C(=O)[O-]	REAL300005105616	1	48	0.0	-58.75	355.83	8.28	-50.47
CCN(C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(C)C(=O)[O-]	REAL300005105619	0	54	0.0	-77.81	382.07	8.75	-69.06
CCN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300005105640	0	49	0.0	-67.26	364.40	10.45	-56.81
CCN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300005105640	1	49	0.0	-63.67	358.94	10.12	-53.55
CCN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300005105653	0	50	0.0	-84.71	388.56	10.76	-73.95
CCN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(C)C(=O)[O-]	REAL300005105662	0	46	0.0	-74.31	346.33	9.31	-65.00
CCN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300005106057	0	46	0.0	-76.05	344.62	8.22	-67.83
CCN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300005106101	0	52	0.0	-65.25	382.90	11.39	-53.86
CCN(C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300005106103	1	50	0.0	-80.65	360.91	8.45	-72.20
CCN(C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300005106103	1	50	0.0	-83.57	367.27	8.78	-74.79
CCCCCCCCC(CO)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005106223	0	58	0.0	-46.48	436.59	7.61	-38.87
CCCCCCCCC(CO)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005106223	1	58	0.0	-44.35	429.09	7.15	-37.20
CC1=CC2=C(SC=C2CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300005106379	0	46	0.0	-52.12	381.48	9.41	-42.71
CC1=CC2=C(SC=C2CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300005106379	1	46	0.0	-48.79	379.57	8.96	-39.83
COC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N=C1	REAL300005106495	0	50	0.0	-47.85	377.08	8.17	-39.68
COC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N=C1	REAL300005106495	1	50	0.0	-48.74	383.85	8.20	-40.54
COC1=CC(F)=CC=C1N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005106645	1	44	0.0	-49.57	348.75	8.53	-41.04
COC1=CC(F)=CC=C1N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005106645	1	44	0.0	-49.94	349.95	8.56	-41.38
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C(Cl)C=CS2)C1	REAL300005106728	0	37	0.0	-47.40	322.20	6.95	-40.45
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C(Cl)C=CS2)C1	REAL300005106728	1	37	0.0	-47.12	316.02	6.93	-40.19
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC12CC(CO1)CCC2	REAL300005106808	0	48	0.0	-46.76	347.35	6.43	-40.33
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC12CC(CO1)CCC2	REAL300005106808	1	48	0.0	-46.00	348.09	6.40	-39.60
CC1(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300005106910	0	51	0.0	-49.01	371.23	5.17	-43.84
CC1(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300005106910	1	51	0.0	-48.71	377.43	5.20	-43.51
CN(C)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N=C1	REAL300005107038	0	47	0.0	-47.15	357.22	5.93	-41.22
CN(C)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N=C1	REAL300005107038	1	47	0.0	-49.42	364.43	5.97	-43.45
COC1=CC=CC2=C1CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300005107158	0	51	0.0	-51.44	369.44	9.65	-41.79
COC1=CC=CC2=C1CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300005107158	1	51	0.0	-46.34	368.27	9.22	-37.12
CC1=C(C)NC(C2=CC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300005107278	0	50	0.0	-45.57	379.38	9.31	-36.26
CC1=C(C)NC(C2=CC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300005107278	1	50	0.0	-45.85	380.46	9.75	-36.10
CN(CC(F)(F)F)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005107399	0	51	0.0	-51.74	373.86	7.42	-44.32
CN(CC(F)(F)F)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005107399	1	51	0.0	-50.06	377.91	7.27	-42.79
CC1=NC2=CC=CN=C2N1C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005107524	0	55	0.0	-56.73	414.00	10.83	-45.90
CC1=NC2=CC=CN=C2N1C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005107524	1	55	0.0	-53.14	406.55	10.36	-42.78
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2CCCOC2)C(F)(F)F)C1	REAL300005107634	1	47	0.0	-48.42	353.77	6.53	-41.89
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2CCCOC2)C(F)(F)F)C1	REAL300005107634	1	47	0.0	-48.93	351.22	6.68	-42.25
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CO)CCC2=CC=NC=C2)C1	REAL300005107740	0	49	0.0	-52.21	383.91	4.94	-47.27
O=C([O-])C1CCC[N@H+](CC(=O)NC(CO)CCC2=CC=NC=C2)C1	REAL300005107740	1	49	0.0	-51.12	378.40	4.98	-46.14
NS(=O)(=O)CC1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005107934	0	45	0.0	-56.76	351.43	2.49	-54.27
NS(=O)(=O)CC1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005107934	1	45	0.0	-57.76	352.12	2.52	-55.24
O=C([O-])C1=CC2=NC=C(NC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)N2C=C1	REAL300005109161	0	50	0.0	-87.54	396.90	12.10	-75.44
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)N2C=C1	REAL300005109845	0	47	0.0	-80.45	381.14	11.56	-68.89
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)N2C=C1	REAL300005109845	1	47	0.0	-79.58	379.69	11.53	-68.05
O=C([O-])C1=CC2=NC=C(NC(=O)C3CC[NH+](C4CC4)CC3)N2C=C1	REAL300005110766	0	44	0.0	-81.54	345.22	9.73	-71.81
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCC[N@@H+]3C3CC3)N2C=C1	REAL300005110795	1	41	0.0	-78.67	328.21	8.87	-69.80
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCC[N@H+]3C3CC3)N2C=C1	REAL300005110795	1	41	0.0	-78.62	326.23	8.74	-69.88
CC1=[NH+]C=C2CCC(C(=O)NC3=CN=C4C=C(C(=O)[O-])C=CN34)CN21	REAL300005110801	1	42	0.0	-73.80	344.16	9.62	-64.18
O=C([O-])C1=CC2=NC=C(NC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)N2C=C1	REAL300005110802	0	50	0.0	-84.35	397.88	12.11	-72.24
CC1=NC(C[NH+]2CCC(C(=O)NC3=CN=C4C=C(C(=O)[O-])C=CN34)CC2)=CS1	REAL300005110881	1	49	0.0	-83.77	404.37	10.17	-73.60
C[N@@H+]1CCCCC1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005110882	1	40	0.0	-79.27	308.44	8.29	-70.98
C[N@H+]1CCCCC1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005110882	1	40	0.0	-79.25	308.45	8.29	-70.96
CC(C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)N1CC[NH+](C)CC1	REAL300005110883	1	45	0.0	-79.04	349.06	6.71	-72.33
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005110926	1	40	0.0	-76.79	317.77	8.47	-68.32
C[N@H+]1CCCC[C@H]1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005110926	1	40	0.0	-79.23	308.42	8.29	-70.94
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C=C1	REAL300005110971	0	53	0.0	-81.11	429.87	11.62	-69.49
CC1(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005110983	0	53	0.0	-77.63	409.54	12.50	-65.13
C[NH+]1CCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)CC1	REAL300005111017	0	40	0.0	-84.15	320.36	8.53	-75.62
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CN4C=[NH+]C=C4C=C3)N2C=C1	REAL300005111042	0	35	0.0	-79.88	305.94	10.38	-69.50
C[NH+](C)CC1(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)CCCCC1	REAL300005111076	0	49	0.0	-82.73	360.27	10.42	-72.31
C[N@H+](CCC(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)C1CCCCC1	REAL300005111081	0	49	0.0	-83.69	374.21	10.46	-73.23
C[N@@H+](CCC(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)C1CCCCC1	REAL300005111081	1	49	0.0	-83.69	374.22	10.46	-73.23
C[NH+]1CCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)CC1	REAL300005111151	0	40	0.0	-84.15	320.36	8.53	-75.62
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)N2C=C1	REAL300005111156	0	43	0.0	-82.29	365.01	9.51	-72.78
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCCC[N@@H+]3C3CCCC3)N2C=C1	REAL300005111180	0	50	0.0	-74.32	372.77	10.64	-63.68
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCCC[N@H+]3C3CCCC3)N2C=C1	REAL300005111180	1	50	0.0	-74.36	373.35	10.69	-63.67
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCC([NH+]4CCOCC4)CC3)N2C=C1	REAL300005111181	0	51	0.0	-84.72	387.52	9.14	-75.58
CC1=[NH+]C=CN1CCCC(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005111214	1	41	0.0	-77.21	346.77	9.78	-67.43
O=C([O-])C1=CC2=NC=C(NC(=O)CCCC[NH+]3CCOCC3)N2C=C1	REAL300005111215	1	47	0.0	-83.66	374.07	8.46	-75.20
CC[N@H+](CC1=CC=C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C=C1)C(C)C	REAL300005111218	0	52	0.0	-81.51	398.90	11.84	-69.67
CC[N@@H+](CC1=CC=C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C=C1)C(C)C	REAL300005111218	1	52	0.0	-81.77	393.28	11.55	-70.22
O=C([O-])C1=CC2=NC=C(NC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)N2C=C1	REAL300005111260	0	47	0.0	-83.22	380.52	11.30	-71.92
O=C([O-])C1=CC2=NC=C(NC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)N2C=C1	REAL300005111260	1	47	0.0	-83.71	380.55	11.37	-72.34
O=C([O-])C1=CC2=NC=C(NC(=O)C3CC[NH+](C4CCSC4)CC3)N2C=C1	REAL300005111261	0	48	0.0	-90.21	379.58	10.76	-79.45
C[NH+]1CCN(C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C2=CC=CC=C2)CC1	REAL300005111288	1	52	0.0	-78.75	412.35	10.03	-68.72
O=C([O-])C1=CC2=NC=C(NC(=O)CC3([NH+]4CCOCC4)CCCC3)N2C=C1	REAL300005111289	0	51	0.0	-82.90	372.54	8.72	-74.18
CCC(C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)[NH+](CC)CC	REAL300005111293	0	45	0.0	-73.48	339.27	9.31	-64.17
CC(C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)[N@H+](C)CC1=CC=CC=C1	REAL300005111295	0	46	0.0	-82.40	370.72	10.87	-71.53
CC(C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)[N@@H+](C)CC1=CC=CC=C1	REAL300005111295	1	46	0.0	-81.36	370.54	10.86	-70.50
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)N2C=C1	REAL300005111307	0	53	0.0	-85.26	419.46	12.91	-72.35
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)N2C=C1	REAL300005111307	1	53	0.0	-78.33	413.19	13.13	-65.20
C[NH+](C)CC1=CC=C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C=N1	REAL300005111330	0	42	0.0	-82.85	349.72	8.50	-74.35
CCC[NH+](CCC)CCCC(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005111339	0	51	0.0	-81.33	398.36	11.09	-70.24
O=C([O-])C1=CC2=NC=C(NC(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)N2C=C1	REAL300005111340	1	51	0.0	-79.72	404.37	8.82	-70.90
CC[N@H+](C)C(C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)C1=CC=CC=C1	REAL300005111341	0	46	0.0	-78.62	363.22	10.80	-67.82
CC[N@@H+](C)C(C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)C1=CC=CC=C1	REAL300005111341	1	46	0.0	-78.72	363.32	10.83	-67.89
CC[NH+](CC)C(C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)C1=CC=CC=C1	REAL300005111346	0	49	0.0	-78.23	375.15	11.29	-66.94
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005111354	1	41	0.0	-75.72	341.45	9.61	-66.11
C[NH+](C)C(C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)C1=CC=C(Cl)C=C1	REAL300005111359	1	43	0.0	-82.41	367.19	10.88	-71.53
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)N2C=C1	REAL300005111372	0	47	0.0	-84.56	378.73	11.52	-73.04
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)N2C=C1	REAL300005111380	0	50	0.0	-79.86	395.49	12.22	-67.64
CCN1CCC([NH+]2CCC(C(=O)NC3=CN=C4C=C(C(=O)[O-])C=CN34)CC2)CC1	REAL300005111386	0	58	0.0	-84.82	429.57	9.69	-75.13
C[NH+](C)CC1(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)CC1	REAL300005111388	0	40	0.0	-81.33	323.23	8.71	-72.62
C[NH+](C)CCCCC(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005111398	0	42	0.0	-81.56	341.17	9.02	-72.54
CC(C)C(C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)[NH+](C)C	REAL300005111406	0	42	0.0	-77.78	320.02	8.42	-69.36
O=C([O-])C1=CC2=NC=C(NC(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)N2C=C1	REAL300005111408	1	51	0.0	-91.65	403.35	11.28	-80.37
O=C([O-])C1=CC2=NC=C(NC(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)N2C=C1	REAL300005111408	1	51	0.0	-91.62	403.43	11.28	-80.34
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)N2C=C1	REAL300005111420	1	50	0.0	-79.31	385.01	11.84	-67.47
O=C([O-])C1=CC2=NC=C(NC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)N2C=C1	REAL300005111420	1	50	0.0	-79.34	385.00	11.84	-67.50
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C[N@H+](CC(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)CC1=CC=CC=C1	REAL300005112180	1	43	0.0	-87.28	352.46	10.47	-76.81
C[N@@H+](CC(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)CC1=CC=CC=C1	REAL300005112180	1	43	0.0	-87.31	352.51	10.47	-76.84
CC(C)[C@@H](C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12)[NH+](C)C	REAL300005112191	0	42	0.0	-77.81	320.01	8.42	-69.39
C[NH+](C)CC1=CC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)=NO1	REAL300005112235	1	39	0.0	-84.17	334.88	7.92	-76.25
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005112239	0	50	0.0	-84.17	396.91	11.86	-72.31
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005112239	1	50	0.0	-88.52	400.14	11.96	-76.56
CC(C)[N@@H+]1CCCC1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005112255	0	43	0.0	-77.94	328.53	9.02	-68.92
CC(C)[N@H+]1CCCC1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005112255	1	43	0.0	-75.79	334.58	9.00	-66.79
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C=C1	REAL300005112263	0	51	0.0	-83.22	418.24	11.35	-71.87
C[NH+]1CCC(OCC(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)CC1	REAL300005112282	0	44	0.0	-84.52	355.75	8.87	-75.65
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)N2C=C1	REAL300005112287	0	47	0.0	-82.56	380.85	10.48	-72.08
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)[C@@H](C(F)(F)F)C1	REAL300005112334	0	49	0.0	-84.98	389.75	10.09	-74.89
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)[C@@H](C(F)(F)F)C1	REAL300005112334	1	49	0.0	-79.99	388.77	10.12	-69.87
CCC[N@@H+]1CCCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005112488	0	46	0.0	-79.86	359.54	9.89	-69.97
CCC[N@H+]1CCCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005112488	1	46	0.0	-74.88	353.30	10.10	-64.78
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005112520	0	46	0.0	-79.57	350.38	9.97	-69.60
CC(C)C[N@H+]1CCCC1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005112520	1	46	0.0	-77.39	360.44	10.07	-67.32
O=C([O-])C1=CC2=NC=C(NC(=O)C[NH+]3CCC(CO)CC3)N2C=C1	REAL300005112521	1	44	0.0	-85.83	349.20	6.05	-79.78
O=C([O-])C1=CC2=NC=C(NC(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)N2C=C1	REAL300005112625	0	51	0.0	-87.06	404.49	12.34	-74.72
O=C([O-])C1=CC2=NC=C(NC(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)N2C=C1	REAL300005112625	1	51	0.0	-88.27	406.69	12.30	-75.97
CC(C)[N@@H+]1CCCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005112760	0	46	0.0	-77.97	354.68	9.66	-68.31
CC(C)[N@H+]1CCCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005112760	1	46	0.0	-77.99	354.69	9.66	-68.33
C[N@@H+]1CC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C(C(F)(F)F)C1	REAL300005112761	0	40	0.0	-84.26	326.67	9.27	-74.99
C[N@H+]1CC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C(C(F)(F)F)C1	REAL300005112761	1	40	0.0	-87.03	332.12	8.60	-78.43
CC1=C(C)[NH+]=C(CCC(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)N1	REAL300005112786	1	41	0.0	-75.85	346.04	8.16	-67.69
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)=C1	REAL300005113292	0	46	0.0	-80.93	376.41	11.21	-69.72
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C=C1	REAL300005113300	0	47	0.0	-82.84	383.71	10.17	-72.67
O=C([O-])C1=CC2=NC=C(NC(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)N2C=C1	REAL300005113397	0	53	0.0	-81.98	415.50	12.82	-69.16
CC1CN(CC2=CC=C(C(=O)NC3=CN=C4C=C(C(=O)[O-])C=CN34)C=C2)CCO1	REAL300005113399	0	51	0.0	-87.48	401.28	10.54	-76.94
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CN=C4C=C(C(=O)[O-])C=CN34)C=C2)CCO1	REAL300005113399	1	51	0.0	-87.68	401.33	10.54	-77.14
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CN=C4C=C(C(=O)[O-])C=CN34)C=C2)CCO1	REAL300005113399	1	51	0.0	-87.68	401.33	10.54	-77.14
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005113442	0	40	0.0	-80.35	325.34	8.61	-71.74
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)CC1	REAL300005113446	0	46	0.0	-74.41	348.08	9.58	-64.83
CC1=[NH+]C=C2C=CC(C(=O)NC3=CN=C4C=C(C(=O)[O-])C=CN34)=CN21	REAL300005113450	0	38	0.0	-75.80	327.36	10.16	-65.64
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005113514	0	49	0.0	-79.25	376.97	10.57	-68.68
CC(C)C[N@H+]1CCCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005113514	1	49	0.0	-75.35	370.72	10.79	-64.56
CC[N@@H+]1CCCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005113515	0	43	0.0	-74.48	331.78	9.35	-65.13
CC[N@H+]1CCCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005113515	1	43	0.0	-74.47	331.78	9.35	-65.12
C[N@@H+]1CCCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005113519	0	40	0.0	-74.71	314.13	8.70	-66.01
C[N@H+]1CCCC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005113519	1	40	0.0	-80.89	320.39	8.48	-72.41
C[NH+](C)CC1=CC=C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)O1	REAL300005113521	1	40	0.0	-83.49	339.25	8.61	-74.88
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005113527	0	49	0.0	-81.22	365.78	9.98	-71.24
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C1	REAL300005113527	1	49	0.0	-81.23	365.80	10.00	-71.23
O=C([O-])C1=CC2=NC=C(NC(=O)C34CC(C3)CN4C3CC3)N2C=C1	REAL300005113530	0	42	0.0	-79.08	332.85	9.93	-69.15
O=C([O-])C1=CC2=NC=C(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)N2C=C1	REAL300005113530	1	42	0.0	-76.12	329.39	9.37	-66.75
O=C([O-])C1=CC2=NC=C(NC(=O)C34CC(C3)C[N@H+]4C3CC3)N2C=C1	REAL300005113530	1	42	0.0	-79.08	332.85	9.93	-69.15
CN1C=CN=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1(C2=CC=CC=C2)CC1	REAL300005113589	1	57	0.0	-45.00	428.97	10.70	-34.30
O=C([O-])C1CCCN(CC(=O)NCC(F)(F)C(F)(F)F)C1	REAL300005113670	0	36	0.0	-49.35	307.98	5.73	-43.62
O=C([O-])C1CCC[N@H+](CC(=O)NCC(F)(F)C(F)(F)F)C1	REAL300005113670	1	36	0.0	-46.95	300.47	5.29	-41.66
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(F)(F)C(F)(F)F)C1	REAL300005113670	1	36	0.0	-49.35	307.98	5.73	-43.62
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)CC2CC2)C1	REAL300005113776	0	50	0.0	-43.66	373.98	11.78	-31.88
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)CC2CC2)C1	REAL300005113776	1	50	0.0	-42.49	377.92	11.50	-30.99
O=C([O-])CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300005114871	0	53	0.0	-77.61	387.64	11.92	-65.69
CC1=[NH+]C=C2CCC(C(=O)N(CC(=O)[O-])C3CCCC3)CN12	REAL300005116159	1	45	0.0	-53.89	336.65	9.44	-44.45
CC1=NC(C[NH+]2CCC(C(=O)N(CC(=O)[O-])C3CCCC3)CC2)=CS1	REAL300005116211	1	52	0.0	-76.67	396.41	9.77	-66.90
C[NH+](C)CCOC1=CC=C(CCC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300005116273	0	56	0.0	-68.14	417.92	11.51	-56.63
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300005116279	0	56	0.0	-73.90	419.97	13.77	-60.13
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300005116279	1	56	0.0	-73.74	419.92	13.78	-59.96
C[NH+](C)CC1(C(=O)N(CC(=O)[O-])C2CCCC2)CCCCC1	REAL300005116347	0	52	0.0	-55.87	332.66	9.64	-46.23
C[N@H+](CCC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCCC1	REAL300005116349	0	52	0.0	-46.33	362.26	10.35	-35.98
C[N@@H+](CCC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCCC1	REAL300005116349	1	52	0.0	-47.73	362.26	10.35	-37.38
O=C([O-])CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CCCC1	REAL300005116408	0	46	0.0	-63.26	356.06	9.36	-53.90
O=C([O-])CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1CCCC1	REAL300005116427	0	54	0.0	-68.90	370.94	8.82	-60.08
O=C([O-])CN(C(=O)CCCC[NH+]1CCOCC1)C1CCCC1	REAL300005116451	1	50	0.0	-60.34	367.01	8.56	-51.78
CC[N@H+](CC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=C1)C(C)C	REAL300005116452	0	55	0.0	-62.71	393.80	11.87	-50.84
CC[N@@H+](CC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=C1)C(C)C	REAL300005116452	1	55	0.0	-62.84	385.83	11.48	-51.36
O=C([O-])CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300005116469	0	50	0.0	-50.90	373.57	11.37	-39.53
O=C([O-])CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300005116469	1	50	0.0	-71.20	375.16	11.28	-59.92
O=C([O-])CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C1CCCC1	REAL300005116470	0	51	0.0	-80.49	370.48	10.58	-69.91
O=C([O-])CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1CCCC1	REAL300005116492	0	54	0.0	-51.49	364.56	8.75	-42.74
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300005116495	0	49	0.0	-39.27	360.41	10.82	-28.45
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300005116495	1	49	0.0	-44.54	357.63	10.77	-33.77
O=C([O-])CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CCCC1	REAL300005116503	0	56	0.0	-57.72	399.50	12.81	-44.91
O=C([O-])CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CCCC1	REAL300005116503	1	56	0.0	-57.70	403.70	12.90	-44.80
C[NH+](C)CC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=N1	REAL300005116520	0	45	0.0	-66.19	336.74	8.18	-58.01
CCC[NH+](CCC)CCCC(=O)N(CC(=O)[O-])C1CCCC1	REAL300005116527	0	54	0.0	-54.30	389.12	11.10	-43.20
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CCCC1	REAL300005116545	0	50	0.0	-66.81	371.74	11.42	-55.39
O=C([O-])CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CCCC1	REAL300005116550	0	53	0.0	-69.71	387.18	12.10	-57.61
CCN1CCC([NH+]2CCC(C(=O)N(CC(=O)[O-])C3CCCC3)CC2)CC1	REAL300005116556	0	61	0.0	-71.79	416.64	9.33	-62.46
CC1C[NH+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC(C)O1	REAL300005116563	1	57	0.0	-68.07	421.81	11.15	-56.92
O=C([O-])CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300005116572	1	54	0.0	-62.71	403.11	11.50	-51.21
O=C([O-])CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300005116572	1	54	0.0	-62.87	402.13	11.42	-51.45
CC1=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=NN1C1=CC=[NH+]C=C1	REAL300005116586	1	44	0.0	-75.27	344.43	8.66	-66.61
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCC1	REAL300005116589	0	53	0.0	-66.43	384.50	11.99	-54.44
O=C([O-])CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1CCCC1	REAL300005116600	1	46	0.0	-69.86	352.37	9.64	-60.22
C[NH+](C)CCC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300005116601	0	49	0.0	-71.10	365.74	11.02	-60.08
O=C([O-])CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300005116605	1	51	0.0	-29.55	360.60	10.27	-19.28
O=C([O-])CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300005116605	1	51	0.0	-68.96	380.64	10.80	-58.16
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005116614	0	59	0.0	-38.64	423.60	13.29	-25.35
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCSCC1	REAL300005116636	1	44	0.0	-37.99	315.70	8.53	-29.46
C[N@H+](CCC1=CC=CC=C1)CC(=O)N(CC(=O)[O-])C1CCCC1	REAL300005116643	0	49	0.0	-46.59	367.92	11.36	-35.23
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N(CC(=O)[O-])C1CCCC1	REAL300005116643	1	49	0.0	-46.96	368.27	11.27	-35.69
COCCOCC[N@H+](C)CCC(=O)N(CC(=O)[O-])C1CCCC1	REAL300005116644	0	53	0.0	-48.05	391.90	7.39	-40.66
COCCOCC[N@@H+](C)CCC(=O)N(CC(=O)[O-])C1CCCC1	REAL300005116644	1	53	0.0	-51.83	392.03	7.40	-44.43
O=C([O-])CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300005116651	0	58	0.0	-58.83	425.40	11.32	-47.51
C[N@H+](CC(=O)N(CC(=O)[O-])C1CCCC1)C1CCSC1	REAL300005116673	0	44	0.0	-46.36	328.47	9.08	-37.28
C[N@@H+](CC(=O)N(CC(=O)[O-])C1CCCC1)C1CCSC1	REAL300005116673	1	44	0.0	-41.83	323.19	8.95	-32.88
CC(C)[NH+]1CCN(CCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300005116683	0	54	0.0	-59.29	378.99	7.75	-51.54
CC(C)N1CC[NH+](CCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300005116683	1	54	0.0	-49.11	382.95	8.16	-40.95
CC(C)[NH+]1CCN(CCCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300005116684	0	57	0.0	-57.82	400.70	8.74	-49.08
CC(C)N1CC[NH+](CCCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300005116684	1	57	0.0	-54.21	401.90	8.73	-45.48
C[NH+](C)CCN1C=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=N1	REAL300005116686	0	46	0.0	-73.23	350.08	8.29	-64.94
CC1=CC=CC(N2CC[NH+](CCC(=O)N(CC(=O)[O-])C3CCCC3)CC2)=C1	REAL300005116689	0	58	0.0	-52.91	425.31	11.19	-41.72
O=C([O-])CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300005116691	0	55	0.0	-52.86	403.90	10.52	-42.34
O=C([O-])CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CCCC1	REAL300005116694	0	52	0.0	-61.99	376.58	10.22	-51.77
O=C([O-])CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1CCCC1	REAL300005116694	1	52	0.0	-62.76	375.56	10.28	-52.48
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005116699	1	50	0.0	-57.47	363.22	11.17	-46.30
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005116699	1	50	0.0	-35.77	364.67	11.22	-24.55
O=C([O-])CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300005116718	0	53	0.0	-57.59	393.62	12.18	-45.41
O=C([O-])CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300005116718	1	53	0.0	-56.37	394.41	12.18	-44.19
C[NH+](C)CCN1C=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300005116729	0	46	0.0	-69.04	352.76	8.98	-60.06
C[NH+](C)CCN1N=CC=C1C(=O)N(CC(=O)[O-])C1CCCC1	REAL300005116730	0	46	0.0	-58.66	341.39	8.10	-50.56
CCC1=[NH+]C=CN1C(C)CC(=O)N(CC(=O)[O-])C1CCCC1	REAL300005116731	1	47	0.0	-46.55	349.81	9.98	-36.57
C[N@@H+]1CCCC1C1=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=NN1	REAL300005116734	1	47	0.0	-65.77	352.82	8.49	-57.28
C[N@H+]1CCCC1C1=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=NN1	REAL300005116734	1	47	0.0	-63.87	352.56	8.55	-55.32
O=C([O-])CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1CCCC1	REAL300005116742	0	53	0.0	-61.73	388.07	12.05	-49.68
O=C([O-])CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CCCC1	REAL300005116742	1	53	0.0	-61.61	387.12	12.20	-49.41
O=C([O-])CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CCCC1	REAL300005116746	0	54	0.0	-53.26	401.66	9.94	-43.32
O=C([O-])CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CCCC1	REAL300005116782	0	53	0.0	-68.19	375.88	10.82	-57.37
O=C([O-])CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C1CCCC1	REAL300005116782	1	53	0.0	-64.48	375.56	10.84	-53.64
C[NH+]1CCN(CC2=CC=CC(C(=O)N(CC(=O)[O-])C3CCCC3)=C2)CC1	REAL300005116807	0	55	0.0	-69.13	404.22	9.67	-59.46
C[NH+]1CCN(CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300005116808	0	55	0.0	-64.20	400.99	9.43	-54.77
CN1CC[NH+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300005116808	1	55	0.0	-66.53	401.32	9.48	-57.05
CC[NH+](CC)CCOC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300005116809	0	56	0.0	-64.42	404.19	11.00	-53.42
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1CCCC1	REAL300005116886	0	57	0.0	-68.27	418.90	9.42	-58.85
C[NH+](C)CC1=CC=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300005116890	0	46	0.0	-69.31	343.27	10.19	-59.12
O=C([O-])CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300005116891	0	53	0.0	-61.33	379.64	12.04	-49.29
O=C([O-])CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300005116891	1	53	0.0	-56.98	381.22	12.04	-44.94
CC[NH+]1CCN(CCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300005116932	0	51	0.0	-60.34	366.19	7.47	-52.87
CCN1CC[NH+](CCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300005116932	1	51	0.0	-49.18	369.71	7.84	-41.34
CC(C)C1=[NH+]C=CN1CCC(=O)N(CC(=O)[O-])C1CCCC1	REAL300005116938	1	47	0.0	-45.55	349.25	9.91	-35.64
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N(CC(=O)[O-])C3CCCC3)=CC=C1N2	REAL300005116985	1	51	0.0	-61.33	380.47	10.68	-50.65
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N(CC(=O)[O-])C3CCCC3)=CC=C1N2	REAL300005116985	1	51	0.0	-76.22	375.71	10.46	-65.76
CC[NH+](CC)CC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)O1	REAL300005117025	0	49	0.0	-56.24	363.56	10.12	-46.12
CC1=CC=C(N2CCC(C(=O)N(CC(=O)[O-])C3CCCC3)CC2)[NH+]=C1	REAL300005117026	1	52	0.0	-56.09	377.43	9.83	-46.26
C[N@H+](CC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300005117027	1	46	0.0	-45.06	345.79	10.43	-34.63
C[N@@H+](CC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300005117027	1	46	0.0	-44.60	345.41	10.51	-34.09
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300005117030	0	58	0.0	-90.65	396.52	9.53	-81.12
O=C([O-])CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CCCC1	REAL300005117039	1	41	0.0	-72.12	325.07	8.24	-63.88
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])C1CCCC1	REAL300005117066	0	53	0.0	-58.53	392.23	11.94	-46.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])C1CCCC1	REAL300005117066	1	53	0.0	-58.21	394.48	11.97	-46.24
C[NH+](C)CCOC1=CC=C(C=CC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300005117083	0	54	0.0	-68.92	412.81	11.64	-57.28
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CCCC1	REAL300005117097	0	50	0.0	-53.51	371.76	10.79	-42.72
C[N@@H+]1CC(C(=O)N(CC(=O)[O-])C2CCCC2)C(C(F)(F)F)C1	REAL300005117391	0	43	0.0	-51.76	317.32	8.16	-43.60
C[N@H+]1CC(C(=O)N(CC(=O)[O-])C2CCCC2)C(C(F)(F)F)C1	REAL300005117391	1	43	0.0	-77.41	324.51	8.18	-69.23
C[NH+](C)CCC1=CC=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300005117731	0	49	0.0	-72.44	365.74	11.01	-61.43
C[NH+](C)CCOC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300005117736	0	50	0.0	-66.56	372.93	9.96	-56.60
O=C([O-])CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300005117808	0	56	0.0	-56.73	408.45	12.90	-43.83
CC1C[N@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CCO1	REAL300005117810	1	54	0.0	-67.82	392.85	10.43	-57.39
CC1C[N@@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CCO1	REAL300005117810	1	54	0.0	-68.03	390.54	10.36	-57.67
CC1=[NH+]C=C2C=CC(C(=O)N(CC(=O)[O-])C3CCCC3)=CN21	REAL300005117834	0	41	0.0	-56.98	326.45	10.23	-46.75
CC(C)C[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300005117871	0	52	0.0	-59.20	357.28	10.52	-48.68
CC(C)C[N@H+]1CCCC(C(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300005117871	1	52	0.0	-57.26	357.12	10.47	-46.79
O=C([O-])C1CCC[N@H+](CC(=O)NC2COC3=C(F)C=C(F)C=C3C2)C1	REAL300005117960	0	45	0.0	-55.18	354.55	7.54	-47.64
O=C([O-])C1CCC[N@@H+](CC(=O)NC2COC3=C(F)C=C(F)C=C3C2)C1	REAL300005117960	1	45	0.0	-55.53	360.06	7.53	-48.00
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1(C2CCOCC2)CC1	REAL300005118081	0	51	0.0	-49.27	374.13	7.50	-41.77
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1(C2CCOCC2)CC1	REAL300005118081	1	51	0.0	-48.59	367.32	7.47	-41.12
CC1(C)CCCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005118165	0	52	0.0	-46.50	359.66	8.34	-38.16
CC1(C)CCCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005118165	1	52	0.0	-47.13	361.41	8.54	-38.59
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300005118726	0	55	0.0	-54.55	442.47	12.40	-42.15
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300005118726	1	55	0.0	-60.88	433.29	11.57	-49.31
C[NH+](C)CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118751	0	47	0.0	-56.78	382.66	9.78	-47.00
C[N@@H+]1CCCCC1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118752	0	54	0.0	-52.38	426.33	11.46	-40.92
C[N@H+]1CCCCC1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118752	1	54	0.0	-64.10	426.57	11.40	-52.70
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118766	0	54	0.0	-63.36	425.92	11.44	-51.92
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118766	1	54	0.0	-62.01	416.88	11.27	-50.74
C[NH+]1CCC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CC1	REAL300005118780	0	54	0.0	-77.19	429.56	11.52	-65.67
C[N@@H+]1CCCC1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118808	0	51	0.0	-56.29	411.07	10.86	-45.43
C[N@H+]1CCCC1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118808	1	51	0.0	-54.69	410.86	10.85	-43.84
C[NH+]1CCC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CC1	REAL300005118832	0	54	0.0	-77.19	429.56	11.52	-65.67
C[C@@H](C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])[NH+](C)C	REAL300005118852	0	50	0.0	-57.04	401.51	10.22	-46.82
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118853	0	51	0.0	-67.08	404.02	10.39	-56.69
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118853	1	51	0.0	-58.15	409.77	10.82	-47.33
C[C@H](C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])[NH+](C)C	REAL300005118857	0	50	0.0	-55.35	402.84	10.19	-45.16
C[NH+](C)C1(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CC1	REAL300005118865	0	51	0.0	-59.72	406.91	10.89	-48.83
CCC(C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])[NH+](CC)CC	REAL300005118902	0	59	0.0	-51.81	450.65	12.15	-39.66
C[N@@H+]1CCOC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300005118910	1	52	0.0	-70.09	420.85	10.20	-59.89
C[N@H+]1CCOC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300005118910	1	52	0.0	-74.42	415.25	10.17	-64.25
C[NH+](C)CC1(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CC1	REAL300005118920	0	54	0.0	-61.05	435.79	11.54	-49.51
C[NH+](C)CCCCC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118923	0	56	0.0	-71.33	448.02	11.91	-59.42
CC(C)C(C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])[NH+](C)C	REAL300005118929	0	56	0.0	-57.50	427.95	11.36	-46.14
CCC[N@H+](C)CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118937	0	53	0.0	-63.51	422.54	11.21	-52.30
CCC[N@@H+](C)CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118937	1	53	0.0	-64.25	422.78	11.15	-53.10
C[N@H+](CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])C1CCC1	REAL300005118945	0	54	0.0	-61.46	429.53	11.77	-49.69
C[N@@H+](CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])C1CCC1	REAL300005118945	1	54	0.0	-61.79	429.67	11.70	-50.09
C[N@H+](CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])CC(C)(C)C	REAL300005118951	0	59	0.0	-63.11	451.71	12.23	-50.88
C[N@@H+](CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])CC(C)(C)C	REAL300005118951	1	59	0.0	-62.78	454.01	12.40	-50.38
CC[C@@H](C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])[NH+](C)C	REAL300005118952	0	53	0.0	-53.14	414.74	10.83	-42.31
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)C12CCC[NH+]1CCC2	REAL300005118972	0	55	0.0	-57.45	425.42	11.68	-45.77
CCCC(C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])[NH+](C)C	REAL300005118988	0	56	0.0	-57.00	435.15	11.55	-45.45
C[C@@H]1[C@H](C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300005118992	0	54	0.0	-75.00	421.03	10.95	-64.05
C[C@@H]1[C@H](C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CC[N@H+]1C	REAL300005118992	1	54	0.0	-74.14	426.53	11.14	-63.00
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300005118994	0	57	0.0	-66.49	441.09	11.44	-55.05
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CC[N@H+]1C	REAL300005118994	1	57	0.0	-71.03	446.01	11.86	-59.17
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118995	1	53	0.0	-56.81	431.10	11.56	-45.25
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005118995	1	53	0.0	-61.65	436.91	12.12	-49.53
CC1C[N@H+](C)CC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])O1	REAL300005118998	1	55	0.0	-77.21	435.11	10.98	-66.23
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])O1	REAL300005118998	1	55	0.0	-86.99	435.15	10.97	-76.02
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)C[NH+]1CCCC1	REAL300005119000	0	51	0.0	-62.43	407.26	10.82	-51.61
CC1=[NH+]C=CN1CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119002	1	49	0.0	-62.26	414.64	11.42	-50.84
CC1CC[NH+](CC(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CC1	REAL300005119016	0	57	0.0	-56.48	448.19	12.31	-44.17
CC[N@@H+]1CCOC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300005119018	1	55	0.0	-75.55	440.17	10.98	-64.57
CC[N@H+]1CCOC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300005119018	1	55	0.0	-75.56	440.18	10.99	-64.57
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119027	0	57	0.0	-69.05	450.86	12.24	-56.81
C[N@H+]1CCCC1CCC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119027	1	57	0.0	-66.04	445.61	11.83	-54.21
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119030	1	55	0.0	-66.52	426.41	7.91	-58.61
C[N@H+]1CC(O)CC1(C)C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119030	1	55	0.0	-73.26	426.77	7.95	-65.31
CC[NH+](CC)CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119034	0	53	0.0	-55.68	415.45	10.84	-44.84
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)C12CC[NH+](CC1)C2	REAL300005119056	0	52	0.0	-69.20	416.76	10.35	-58.85
CCC(C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])[NH+](C)C	REAL300005119058	0	53	0.0	-55.25	414.70	10.79	-44.46
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300005119060	0	55	0.0	-66.81	425.31	11.03	-55.78
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300005119060	1	55	0.0	-78.90	425.86	11.22	-67.68
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119075	0	57	0.0	-60.69	440.32	11.82	-48.87
C[NH+](C)C1(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CCC1	REAL300005119084	0	54	0.0	-56.19	416.07	10.86	-45.33
CC(C)[N@H+](C)CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119089	0	53	0.0	-62.25	417.96	10.93	-51.32
CC(C)[N@@H+](C)CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119089	1	53	0.0	-61.53	417.97	10.94	-50.59
CC[N@H+](CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])C1CC1	REAL300005119095	0	54	0.0	-65.22	424.65	11.31	-53.91
CC[N@@H+](CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])C1CC1	REAL300005119095	1	54	0.0	-53.66	429.59	11.83	-41.83
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119100	0	51	0.0	-57.89	411.18	10.86	-47.03
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119100	1	51	0.0	-53.80	403.25	10.37	-43.43
CC(C)(C)[NH2+]CC(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119119	0	53	0.0	-54.81	422.44	9.47	-45.34
CC(C)[C@@H](C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-])[NH+](C)C	REAL300005119123	0	56	0.0	-51.96	426.47	11.42	-40.54
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119138	0	57	0.0	-61.45	443.91	12.02	-49.43
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005119138	1	57	0.0	-60.54	446.11	12.08	-48.46
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300005119394	0	54	0.0	-76.05	433.97	11.58	-64.47
CC[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300005119404	0	57	0.0	-62.94	447.25	12.15	-50.79
CC[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300005119404	1	57	0.0	-62.94	447.25	12.15	-50.79
C[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300005119406	0	54	0.0	-65.53	427.22	11.38	-54.15
C[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300005119406	1	54	0.0	-65.53	427.22	11.38	-54.15
NS(=O)(=O)C1=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CS1	REAL300005119488	0	42	0.0	-51.65	358.45	1.46	-50.19
CC1(CC2=CC(F)=CC=C2F)CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005119603	0	53	0.0	-48.75	398.00	11.55	-37.20
CC1(CC2=CC(F)=CC=C2F)CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005119603	1	53	0.0	-48.75	398.00	11.55	-37.20
COCC(C1=CC=C(F)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005119704	0	50	0.0	-49.04	378.75	9.50	-39.54
COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005119810	0	47	0.0	-47.75	365.55	7.57	-40.18
O=C([O-])C1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCOCC2	REAL300005120941	0	58	0.0	-67.97	417.56	10.06	-57.91
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300005121574	0	55	0.0	-56.05	400.49	9.64	-46.41
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300005121574	1	55	0.0	-57.83	402.17	9.71	-48.12
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC12CCOCC2	REAL300005122465	0	52	0.0	-62.97	370.37	7.92	-55.05
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2C2CC2)CC12CCOCC2	REAL300005122491	0	49	0.0	-54.64	353.49	7.38	-47.26
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2C2CC2)CC12CCOCC2	REAL300005122491	1	49	0.0	-53.23	349.76	7.06	-46.17
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])C4(C3)CCOCC4)CN12	REAL300005122497	1	50	0.0	-56.09	367.95	7.75	-48.34
O=C([O-])C1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC12CCOCC2	REAL300005122498	0	58	0.0	-59.14	417.77	9.96	-49.18
C[N@@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005122579	0	48	0.0	-55.70	331.40	6.36	-49.34
C[N@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005122579	1	48	0.0	-54.51	339.94	6.65	-47.86
CC(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)N1CC[NH+](C)CC1	REAL300005122580	1	53	0.0	-65.18	376.55	5.05	-60.13
C[N@@H+]1CCCC[C@H]1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005122622	0	48	0.0	-56.18	340.71	6.66	-49.52
C[N@H+]1CCCC[C@H]1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005122622	1	48	0.0	-57.88	328.20	6.20	-51.68
C[NH+]1CCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005122710	0	48	0.0	-65.31	341.40	6.55	-58.76
O=C([O-])C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC12CCOCC2	REAL300005122735	0	43	0.0	-62.82	335.60	8.54	-54.28
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CCCCC1	REAL300005122768	0	57	0.0	-57.44	374.30	8.47	-48.97
C[N@H+](CCC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1CCCCC1	REAL300005122773	0	57	0.0	-61.35	397.35	8.72	-52.63
C[N@@H+](CCC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1CCCCC1	REAL300005122773	1	57	0.0	-61.22	397.43	8.71	-52.51
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC12CCOCC2	REAL300005122790	1	55	0.0	-60.77	403.67	9.55	-51.22
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC12CCOCC2	REAL300005122790	1	55	0.0	-56.36	401.58	9.24	-47.12
C[NH+]1CCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005122843	0	48	0.0	-65.31	341.40	6.55	-58.76
O=C([O-])C1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC12CCOCC2	REAL300005122848	0	51	0.0	-69.36	386.36	7.39	-61.97
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC12CCOCC2	REAL300005122871	0	58	0.0	-54.51	392.13	8.87	-45.64
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC12CCOCC2	REAL300005122871	1	58	0.0	-54.44	393.13	8.91	-45.53
O=C([O-])C1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC12CCOCC2	REAL300005122872	0	59	0.0	-60.77	402.07	6.98	-53.79
CC1=[NH+]C=CN1CCCC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005122905	1	49	0.0	-61.44	371.67	8.09	-53.35
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCOCC2)CC12CCOCC2	REAL300005122906	1	55	0.0	-68.20	398.97	6.77	-61.43
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C=C1)C(C)C	REAL300005122909	0	60	0.0	-65.79	420.80	9.70	-56.09
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C=C1)C(C)C	REAL300005122909	1	60	0.0	-66.62	415.03	9.44	-57.18
O=C([O-])C1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300005122959	0	55	0.0	-64.23	403.30	9.53	-54.70
O=C([O-])C1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300005122959	1	55	0.0	-63.31	399.39	9.37	-53.94
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC12CCOCC2	REAL300005122960	0	56	0.0	-67.52	394.87	8.46	-59.06
O=C([O-])C1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC12CCOCC2	REAL300005122985	0	59	0.0	-63.33	397.52	7.05	-56.28
CCC(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[NH+](CC)CC	REAL300005122989	0	53	0.0	-53.12	359.40	7.01	-46.11
CC(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[N@H+](C)CC1=CC=CC=C1	REAL300005122991	0	54	0.0	-59.48	393.93	9.11	-50.37
CC(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[N@@H+](C)CC1=CC=CC=C1	REAL300005122991	1	54	0.0	-58.70	394.42	9.09	-49.61
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C=N1	REAL300005123023	0	50	0.0	-66.89	371.51	6.76	-60.13
CCC[NH+](CCC)CCCC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123032	0	59	0.0	-64.83	418.75	9.11	-55.72
CC[N@H+](C)C(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1=CC=CC=C1	REAL300005123033	0	54	0.0	-55.76	388.42	9.07	-46.69
CC[N@@H+](C)C(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1=CC=CC=C1	REAL300005123033	1	54	0.0	-54.12	387.66	9.05	-45.07
C[N@@H+]1CCOC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005123035	1	46	0.0	-57.99	327.18	5.24	-52.75
C[N@H+]1CCOC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005123035	1	46	0.0	-61.39	326.59	5.28	-56.11
CC[NH+](CC)C(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1=CC=CC=C1	REAL300005123038	0	57	0.0	-55.58	399.12	9.29	-46.29
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123047	1	49	0.0	-56.29	366.34	7.89	-48.40
C[NH+](C)C(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1=CC=C(Cl)C=C1	REAL300005123052	1	51	0.0	-56.42	387.15	8.84	-47.58
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC12CCOCC2	REAL300005123065	0	55	0.0	-68.92	399.57	9.34	-59.58
O=C([O-])C1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC12CCOCC2	REAL300005123073	0	58	0.0	-67.80	416.49	10.06	-57.74
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123079	0	48	0.0	-61.46	348.92	6.74	-54.72
C[NH+](C)CCCCC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123088	0	50	0.0	-66.66	366.07	7.31	-59.35
CC(C)C(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[NH+](C)C	REAL300005123097	0	50	0.0	-58.49	341.98	6.65	-51.84
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300005123110	0	58	0.0	-55.11	404.75	9.75	-45.36
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300005123110	1	58	0.0	-53.55	416.12	10.20	-43.35
CC1=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C=NN1C1=CC=[NH+]C=C1	REAL300005123112	1	49	0.0	-75.27	370.75	6.67	-68.60
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC12CCOCC2	REAL300005123120	0	58	0.0	-69.58	417.18	10.12	-59.46
O=C([O-])C1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC12CCOCC2	REAL300005123134	1	51	0.0	-74.19	382.11	7.55	-66.64
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C=C1	REAL300005123135	0	54	0.0	-72.03	398.13	9.10	-62.93
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123147	1	47	0.0	-53.73	349.23	5.78	-47.95
O=C([O-])C1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC12CCOCC2	REAL300005123149	1	56	0.0	-77.92	403.43	8.83	-69.09
O=C([O-])C1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC12CCOCC2	REAL300005123149	1	56	0.0	-62.07	403.37	8.85	-53.22
C[N@H+](CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1CCC1	REAL300005123180	0	48	0.0	-57.66	346.79	7.12	-50.54
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1CCC1	REAL300005123180	1	48	0.0	-57.68	346.87	7.13	-50.55
CC(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[NH+]1CCSCC1	REAL300005123203	1	49	0.0	-58.72	357.83	7.09	-51.63
C[N@H+](CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)CC(C)(C)C	REAL300005123209	0	53	0.0	-59.18	369.23	7.58	-51.60
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)CC(C)(C)C	REAL300005123209	1	53	0.0	-58.81	371.23	7.73	-51.08
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123211	0	54	0.0	-64.06	399.83	9.59	-54.47
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123211	1	54	0.0	-64.08	399.81	9.56	-54.52
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123212	0	58	0.0	-62.47	427.11	5.73	-56.74
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123212	1	58	0.0	-65.02	428.81	5.81	-59.21
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005123217	0	52	0.0	-60.89	361.56	5.36	-55.53
C[N@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005123217	1	52	0.0	-64.01	358.41	5.44	-58.57
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC12CCOCC2	REAL300005123238	1	57	0.0	-59.55	399.80	8.01	-51.54
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC12CCOCC2	REAL300005123238	1	57	0.0	-57.87	411.10	8.45	-49.42
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC12CCOCC2	REAL300005123239	1	57	0.0	-61.16	401.33	7.94	-53.22
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC12CCOCC2	REAL300005123239	1	57	0.0	-59.84	401.35	8.05	-51.79
CCCCCC[N@H+](C)CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123241	0	56	0.0	-61.09	404.44	8.90	-52.19
CCCCCC[N@@H+](C)CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123241	1	56	0.0	-61.10	404.41	8.88	-52.22
O=C([O-])C1CN(C(=O)C23CCC[NH+]2CCC3)CC12CCOCC2	REAL300005123251	0	49	0.0	-56.56	339.47	6.53	-50.03
O=C([O-])C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC12CCOCC2	REAL300005123259	1	43	0.0	-66.58	335.68	8.56	-58.02
C[N@H+](CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1CCSC1	REAL300005123273	0	49	0.0	-61.96	359.76	7.31	-54.65
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1CCSC1	REAL300005123273	1	49	0.0	-62.38	358.35	7.32	-55.06
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123289	0	59	0.0	-62.87	416.03	6.34	-56.53
CC(C)N1CC[NH+](CCC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123289	1	59	0.0	-63.03	412.56	6.16	-56.87
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123290	0	62	0.0	-63.85	437.55	7.16	-56.69
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123290	1	62	0.0	-65.20	434.06	6.96	-58.24
O=C([O-])C1CN(C(=O)C2CCCC3CCC[N@@H+]32)CC12CCOCC2	REAL300005123291	0	52	0.0	-66.24	366.10	7.88	-58.36
O=C([O-])C1CN(C(=O)C2CCCC3CCC[N@H+]32)CC12CCOCC2	REAL300005123291	1	52	0.0	-51.34	350.44	7.59	-43.75
C[NH+](C)CCN1C=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C=N1	REAL300005123293	0	51	0.0	-74.34	379.98	6.27	-68.07
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC12CCOCC2	REAL300005123304	0	57	0.0	-66.35	411.17	8.26	-58.09
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC12CCOCC2	REAL300005123304	1	57	0.0	-64.79	406.64	8.39	-56.40
CC(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005123309	1	55	0.0	-56.63	395.87	9.43	-47.20
CC(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300005123309	1	55	0.0	-59.04	392.06	9.37	-49.67
CCC(CC)C(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[NH+]1CCOCC1	REAL300005123326	1	61	0.0	-56.04	401.59	7.48	-48.56
CCCC(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[NH+](C)C	REAL300005123330	0	50	0.0	-57.00	351.13	6.91	-50.09
O=C([O-])C1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300005123332	0	58	0.0	-67.97	425.32	10.40	-57.57
O=C([O-])C1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300005123332	1	58	0.0	-68.06	426.33	10.42	-57.64
C[NH+](C)CCN1C=CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=N1	REAL300005123347	0	51	0.0	-69.32	380.46	6.86	-62.46
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123348	0	51	0.0	-64.20	375.33	6.31	-57.89
C[C@@H]1[C@H](C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC[N@@H+]1C	REAL300005123353	0	48	0.0	-63.41	334.83	6.03	-57.38
C[C@@H]1[C@H](C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC[N@H+]1C	REAL300005123353	1	48	0.0	-62.03	341.20	6.76	-55.27
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123355	1	52	0.0	-57.36	386.58	8.39	-48.97
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC[N@@H+]1C	REAL300005123358	0	51	0.0	-64.58	353.07	6.67	-57.91
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC[N@H+]1C	REAL300005123358	1	51	0.0	-62.74	360.88	7.13	-55.61
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=NN1	REAL300005123360	1	52	0.0	-72.86	383.27	6.44	-66.42
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=NN1	REAL300005123360	1	52	0.0	-70.86	374.43	5.83	-65.03
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123361	0	47	0.0	-54.95	345.65	6.88	-48.07
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123361	1	47	0.0	-56.28	348.89	7.29	-48.99
CC1C[N@H+](C)CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)O1	REAL300005123368	1	49	0.0	-61.43	347.84	6.02	-55.41
CC1C[N@@H+](C)CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)O1	REAL300005123368	1	49	0.0	-57.89	348.39	5.97	-51.92
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC12CCOCC2	REAL300005123374	1	54	0.0	-53.60	393.69	7.64	-45.96
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC12CCOCC2	REAL300005123374	1	54	0.0	-59.84	394.85	7.74	-52.10
CC1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123378	1	43	0.0	-57.94	329.12	6.73	-51.21
CC(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123380	0	52	0.0	-64.11	368.32	5.61	-58.50
CC1CC[NH+](CC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123395	0	51	0.0	-59.41	363.29	7.64	-51.77
CC[N@@H+]1CCOC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005123407	1	49	0.0	-56.50	344.85	5.88	-50.62
CC[N@H+]1CCOC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005123407	1	49	0.0	-82.49	352.68	6.10	-76.39
O=C([O-])C1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC12CCOCC2	REAL300005123446	0	58	0.0	-61.48	404.81	8.98	-52.50
O=C([O-])C1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC12CCOCC2	REAL300005123446	1	58	0.0	-60.55	403.92	8.94	-51.61
C[N@@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123453	0	51	0.0	-63.26	368.09	7.68	-55.58
C[N@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123453	1	51	0.0	-63.95	362.49	7.20	-56.75
O=C([O-])C1CN(C(=O)C23CCC[NH+](CCC2)C3)CC12CCOCC2	REAL300005123466	0	52	0.0	-67.05	349.27	6.85	-60.20
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123468	0	49	0.0	-69.75	335.64	2.78	-66.97
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123468	1	49	0.0	-62.53	341.84	2.56	-59.97
O=C([O-])C1CN(C(=O)C2CCC3CCCC[N@@H+]32)CC12CCOCC2	REAL300005123469	0	52	0.0	-52.20	363.59	7.90	-44.30
O=C([O-])C1CN(C(=O)C2CCC3CCCC[N@H+]32)CC12CCOCC2	REAL300005123469	1	52	0.0	-54.49	361.09	7.58	-46.91
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123476	0	55	0.0	-61.44	370.14	5.65	-55.79
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C=N1	REAL300005123481	0	58	0.0	-70.32	401.08	7.05	-63.27
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C=N1	REAL300005123481	1	58	0.0	-71.57	403.31	7.15	-64.42
CC(C)[NH+]1CCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123493	0	54	0.0	-61.93	375.69	7.73	-54.20
O=C([O-])C1CN(C(=O)C23CC[NH+](CC2)C3)CC12CCOCC2	REAL300005123573	0	46	0.0	-64.75	325.12	5.39	-59.36
O=C([O-])C1CN(C(=O)C23CC[N@H+](C2)CCC3)CC12CCOCC2	REAL300005123583	0	49	0.0	-61.96	333.11	5.96	-56.00
O=C([O-])C1CN(C(=O)C23CC[N@@H+](C2)CCC3)CC12CCOCC2	REAL300005123583	1	49	0.0	-82.56	326.09	5.71	-76.85
CC1CCC(C)[NH+]1CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123631	0	51	0.0	-55.25	357.92	7.03	-48.22
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=C1	REAL300005123632	0	51	0.0	-69.27	374.91	8.20	-61.07
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300005123633	0	58	0.0	-61.57	411.89	10.24	-51.33
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300005123633	1	58	0.0	-59.77	410.06	10.19	-49.58
C[NH+](C)C1(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CCC1	REAL300005123673	0	48	0.0	-56.99	327.66	6.12	-50.87
C#CC[NH+]1CCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123704	0	50	0.0	-66.43	366.05	7.69	-58.74
CCC[N@@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123706	0	54	0.0	-53.96	378.76	8.02	-45.94
CCC[N@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123706	1	54	0.0	-55.83	372.12	7.82	-48.01
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123707	0	51	0.0	-57.53	374.19	8.31	-49.22
CC[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123709	0	56	0.0	-64.73	398.78	5.79	-58.94
CCN1CC[NH+](CCC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123709	1	56	0.0	-63.23	399.31	5.84	-57.39
CC(C)C(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[NH+]1CCCCC1	REAL300005123710	0	57	0.0	-54.38	385.53	8.88	-45.50
C[NH+](C)C(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1=CC=CC=C1	REAL300005123711	1	51	0.0	-55.63	372.11	8.39	-47.24
O=C([O-])C1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300005123715	0	56	0.0	-75.27	408.18	6.63	-68.64
O=C([O-])C1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300005123715	1	56	0.0	-73.88	406.55	6.56	-67.32
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123720	1	52	0.0	-55.55	384.45	8.28	-47.27
C[NH+](C)CC1=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)OC2=CC=CC=C21	REAL300005123721	0	54	0.0	-65.23	401.04	9.00	-56.23
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC12CCOCC2	REAL300005123727	0	55	0.0	-55.36	380.81	8.41	-46.95
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2C2CCCC2)CC12CCOCC2	REAL300005123727	1	55	0.0	-54.14	374.94	8.69	-45.45
CC[N@H+](CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1CC1	REAL300005123729	0	48	0.0	-54.28	348.46	7.14	-47.14
CC[N@@H+](CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)C1CC1	REAL300005123729	1	48	0.0	-57.34	346.53	7.17	-50.17
CC(C)C(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[NH+]1CC(C)OC(C)C1	REAL300005123758	1	61	0.0	-56.01	412.60	7.70	-48.31
CC(C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[NH+]1CCCCCC1	REAL300005123759	0	54	0.0	-55.80	368.70	7.55	-48.25
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])C4(C3)CCOCC4)=CC=C1N2	REAL300005123801	1	56	0.0	-66.12	410.69	8.66	-57.46
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])C4(C3)CCOCC4)=CC=C1N2	REAL300005123801	1	56	0.0	-81.50	409.76	8.63	-72.87
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)O1	REAL300005123851	0	54	0.0	-64.86	393.33	8.12	-56.74
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCCC2)CC12CCOCC2	REAL300005123852	0	54	0.0	-65.11	392.03	8.50	-56.61
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])C4(C3)CCOCC4)CC2)[NH+]=C1	REAL300005123854	1	57	0.0	-60.95	410.82	7.98	-52.97
C[N@H+](CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)CC1=CC=CC=C1	REAL300005123855	1	51	0.0	-62.68	377.34	8.73	-53.95
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)CC1=CC=CC=C1	REAL300005123855	1	51	0.0	-62.84	377.35	8.73	-54.11
CC(C)[C@@H](C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2)[NH+](C)C	REAL300005123866	0	50	0.0	-60.09	343.55	6.74	-53.35
O=C([O-])C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC12CCOCC2	REAL300005123884	1	46	0.0	-73.73	354.96	6.22	-67.51
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=NO1	REAL300005123913	1	47	0.0	-75.89	356.64	6.42	-69.47
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123917	0	58	0.0	-64.98	420.39	10.24	-54.74
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123917	1	58	0.0	-64.87	420.73	10.25	-54.62
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123931	0	51	0.0	-55.85	355.89	7.11	-48.74
CC(C)[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005123931	1	51	0.0	-54.74	344.21	7.40	-47.34
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005123957	0	52	0.0	-68.87	380.64	7.32	-61.55
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC12CCOCC2	REAL300005123962	0	55	0.0	-64.34	402.58	8.80	-55.54
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005124154	0	54	0.0	-58.22	374.41	8.07	-50.15
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005124154	1	54	0.0	-56.12	374.94	7.94	-48.18
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005124185	0	54	0.0	-56.29	371.84	8.46	-47.83
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005124185	1	54	0.0	-54.94	376.32	7.70	-47.24
O=C([O-])C1CN(C(=O)C[NH+]2CCC(CO)CC2)CC12CCOCC2	REAL300005124186	0	52	0.0	-58.97	372.42	4.26	-54.71
O=C([O-])C1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC12CCOCC2	REAL300005124292	0	59	0.0	-63.76	422.62	10.33	-53.43
O=C([O-])C1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC12CCOCC2	REAL300005124292	1	59	0.0	-62.90	428.34	10.37	-52.53
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005124422	0	54	0.0	-73.46	377.59	7.79	-65.67
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005124422	1	54	0.0	-65.38	368.34	7.82	-57.56
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C(C(F)(F)F)C1	REAL300005124423	0	48	0.0	-68.66	361.47	6.73	-61.93
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C(C(F)(F)F)C1	REAL300005124423	1	48	0.0	-65.54	362.08	6.75	-58.79
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)N1	REAL300005124449	1	49	0.0	-57.77	370.94	6.47	-51.30
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=C1	REAL300005124946	0	54	0.0	-71.18	397.42	9.04	-62.14
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C=C1	REAL300005124953	0	55	0.0	-70.66	404.98	8.04	-62.62
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005125090	0	48	0.0	-63.86	349.73	6.88	-56.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)CC1	REAL300005125094	0	54	0.0	-60.98	369.16	7.55	-53.43
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005125162	0	57	0.0	-75.55	401.55	8.78	-66.77
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005125162	1	57	0.0	-75.55	401.55	8.78	-66.77
CC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005125163	0	51	0.0	-61.33	362.64	7.33	-54.00
CC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005125163	1	51	0.0	-61.33	362.64	7.33	-54.00
C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005125167	0	48	0.0	-55.01	334.20	6.50	-48.51
C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005125167	1	48	0.0	-55.01	334.20	6.50	-48.51
CN(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)O1	REAL300005125169	0	48	0.0	-65.86	360.96	6.92	-58.94
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)O1	REAL300005125169	1	48	0.0	-65.86	360.96	6.92	-58.94
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005125175	0	57	0.0	-61.74	382.79	7.64	-54.10
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C1	REAL300005125175	1	57	0.0	-61.74	382.79	7.64	-54.10
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC12CCOCC2	REAL300005125178	0	50	0.0	-53.52	354.92	7.85	-45.67
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NC(CC3=CC=CC=C3)=NO2)C1	REAL300005125260	0	51	0.0	-55.81	404.97	7.39	-48.42
O=C([O-])C1CCC[N@H+](CC(=O)N2CC34CCC3(COC4)C2)C1	REAL300005125351	0	46	0.0	-48.22	340.43	6.90	-41.32
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CCN1CC1=CC=CC=C1	REAL300005125383	0	47	0.0	-76.03	359.64	10.98	-65.05
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125383	1	47	0.0	-72.92	363.93	10.82	-62.10
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125383	1	47	0.0	-72.92	363.93	10.82	-62.10
C[C@@H]1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CCN1CC1=CC=CC=C1	REAL300005125384	0	51	0.0	-68.95	391.72	11.30	-57.65
C[C@@H]1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125384	1	51	0.0	-67.14	395.96	11.14	-56.00
C[C@@H]1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125384	1	51	0.0	-67.14	395.96	11.14	-56.00
C[C@@H]1CN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CCN1CC1=CC=CC=C1	REAL300005125385	0	47	0.0	-81.69	360.65	11.01	-70.68
C[C@@H]1CN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125385	1	47	0.0	-63.56	364.08	10.82	-52.74
C[C@@H]1CN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125385	1	47	0.0	-63.56	364.08	10.82	-52.74
C[C@@H]1CN(C(=O)C2=CC=CC(C(=O)[O-])=N2)CCN1CC1=CC=CC=C1	REAL300005125387	0	46	0.0	-57.48	355.39	10.05	-47.43
C[C@@H]1CN(C(=O)C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125387	1	46	0.0	-55.46	359.89	9.92	-45.54
C[C@@H]1CN(C(=O)C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125387	1	46	0.0	-55.46	359.89	9.92	-45.54
CC(SC1=CC=CC=C1C(=O)N1CCN(CC2=CC=CC=C2)[C@H](C)C1)C(=O)[O-]	REAL300005125388	0	54	0.0	-75.84	416.64	12.74	-63.10
CC(SC1=CC=CC=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1)C(=O)[O-]	REAL300005125388	1	54	0.0	-77.09	416.89	12.52	-64.57
CC(SC1=CC=CC=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1)C(=O)[O-]	REAL300005125388	1	54	0.0	-77.09	416.89	12.52	-64.57
C[C@@H]1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CCN1CC1=CC=CC=C1	REAL300005125389	0	53	0.0	-80.94	406.46	12.84	-68.10
C[C@@H]1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125389	1	53	0.0	-79.55	410.73	12.68	-66.87
C[C@@H]1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125389	1	53	0.0	-79.55	410.73	12.68	-66.87
C[C@@H]1CN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CCN1CC1=CC=CC=C1	REAL300005125390	0	46	0.0	-84.87	356.27	9.25	-75.62
C[C@@H]1CN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125390	1	46	0.0	-67.33	359.66	9.05	-58.28
C[C@@H]1CN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125390	1	46	0.0	-67.33	359.66	9.05	-58.28
C[C@@H]1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CCN1CC1=CC=CC=C1	REAL300005125391	0	51	0.0	-81.62	393.81	12.52	-69.10
C[C@@H]1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125391	1	51	0.0	-79.46	398.12	12.36	-67.10
C[C@@H]1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125391	1	51	0.0	-79.46	398.12	12.36	-67.10
C[C@@H]1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCN1CC1=CC=CC=C1	REAL300005125392	0	49	0.0	-77.46	386.36	11.61	-65.85
C[C@@H]1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125392	1	49	0.0	-73.42	392.29	11.48	-61.94
C[C@@H]1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125392	1	49	0.0	-73.42	392.29	11.48	-61.94
C[C@@H]1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCN1CC1=CC=CC=C1	REAL300005125393	0	49	0.0	-77.46	386.36	11.61	-65.85
C[C@@H]1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125393	1	49	0.0	-73.42	392.29	11.48	-61.94
C[C@@H]1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125393	1	49	0.0	-73.42	392.29	11.48	-61.94
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])O2)CCN1CC1=CC=CC=C1	REAL300005125394	0	44	0.0	-62.84	343.60	9.64	-53.20
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])O2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125394	1	44	0.0	-59.87	347.94	9.48	-50.39
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])O2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125394	1	44	0.0	-59.87	347.94	9.48	-50.39
C[C@@H]1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CCN1CC1=CC=CC=C1	REAL300005125395	0	53	0.0	-67.83	397.79	12.58	-55.25
C[C@@H]1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300005125395	1	53	0.0	-64.74	402.15	12.43	-52.31
C[C@@H]1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300005125395	1	53	0.0	-64.74	402.15	12.43	-52.31
CC1=CC(C(=O)N2CCN(CC3=CC=CC=C3)[C@H](C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300005125396	0	57	0.0	-78.79	434.73	12.80	-65.99
CC1=CC(C(=O)N2CC[N@H+](CC3=CC=CC=C3)[C@H](C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300005125396	1	57	0.0	-76.11	439.04	12.64	-63.47
CC1=CC(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)[C@H](C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300005125396	1	57	0.0	-76.11	439.04	12.64	-63.47
C[C@@H]1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CCN1CC1=CC=CC=C1	REAL300005125397	0	50	0.0	-84.04	385.13	12.03	-72.01
C[C@@H]1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125397	1	50	0.0	-86.35	389.37	11.86	-74.49
C[C@@H]1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125397	1	50	0.0	-86.35	389.37	11.86	-74.49
C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)CCN1CC1=CC=CC=C1	REAL300005125398	0	44	0.0	-57.65	332.68	9.51	-48.14
C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125398	1	44	0.0	-56.22	336.21	9.34	-46.88
C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125398	1	44	0.0	-56.22	336.21	9.34	-46.88
C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)CCN1CC1=CC=CC=C1	REAL300005125399	0	44	0.0	-57.65	332.68	9.51	-48.14
C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125399	1	44	0.0	-56.22	336.21	9.34	-46.88
C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125399	1	44	0.0	-56.22	336.21	9.34	-46.88
C[C@@H]1CN(C(=O)C2CCCC(C(=O)[O-])C2)CCN1CC1=CC=CC=C1	REAL300005125400	0	53	0.0	-87.63	375.07	11.10	-76.53
C[C@@H]1CN(C(=O)C2CCCC(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125400	1	53	0.0	-81.87	390.24	11.25	-70.62
C[C@@H]1CN(C(=O)C2CCCC(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125400	1	53	0.0	-81.87	390.24	11.25	-70.62
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CCN1CC1=CC=CC=C1	REAL300005125401	0	46	0.0	-80.16	355.18	9.19	-70.97
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125401	1	46	0.0	-73.09	358.35	8.90	-64.19
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125401	1	46	0.0	-73.09	358.35	8.90	-64.19
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CCN1CC1=CC=CC=C1	REAL300005125402	0	46	0.0	-65.10	354.88	10.09	-55.01
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125402	1	46	0.0	-61.87	359.14	9.93	-51.94
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125402	1	46	0.0	-61.87	359.14	9.93	-51.94
C[C@@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])CCN1CC1=CC=CC=C1	REAL300005125403	0	52	0.0	-75.32	369.57	10.78	-64.54
C[C@@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300005125403	1	52	0.0	-73.60	373.82	10.62	-62.98
C[C@@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300005125403	1	52	0.0	-73.60	373.82	10.62	-62.98
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CCN1CC1=CC=CC=C1	REAL300005125404	0	47	0.0	-74.25	366.60	11.07	-63.18
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125404	1	47	0.0	-72.60	370.69	10.89	-61.71
C[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC[N@H+]1CC1=CC=CC=C1	REAL300005125404	1	47	0.0	-72.60	370.69	10.89	-61.71
C[C@@H]1CN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CCN1CC1=CC=CC=C1	REAL300005125405	0	45	0.0	-68.57	350.31	8.25	-60.32
C[C@@H]1CN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125405	1	45	0.0	-64.99	354.50	8.05	-56.94
C[C@@H]1CN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125405	1	45	0.0	-64.99	354.50	8.05	-56.94
C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CCN1CC1=CC=CC=C1	REAL300005125406	0	53	0.0	-76.27	385.41	11.38	-64.89
C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125406	1	53	0.0	-74.06	390.40	11.27	-62.79
C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300005125406	1	53	0.0	-74.06	390.40	11.27	-62.79
C[C@@H]1CN(C(=O)C2CCC(C(=O)[O-])CC2)CCN1CC1=CC=CC=C1	REAL300005125407	0	53	0.0	-81.75	375.13	11.12	-70.63
C[C@@H]1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300005125407	1	53	0.0	-74.48	390.87	11.30	-63.18
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C[C@@H]1CN(C(=O)COCC(=O)[O-])CCN1CC1=CC=CC=C1	REAL300005125438	0	44	0.0	-80.56	339.31	9.23	-71.33
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CC(C)[C@]1(C(=O)NC2=CC=CC=C2C[NH+]2CCCCC2)C[C@H]1C(=O)[O-]	REAL300005125620	0	53	0.0	-50.14	372.56	11.82	-38.32
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=CC=C1C[NH+]1CCCCC1	REAL300005125621	0	53	0.0	-92.35	405.92	12.42	-79.93
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CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=CC=C1C[NH+]1CCCCC1	REAL300005125624	0	50	0.0	-61.13	371.45	10.74	-50.39
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CC1=NNC=C1CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005125669	0	46	0.0	-49.85	352.08	5.53	-44.32
CC1=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300005127016	0	47	0.0	-87.10	368.65	8.98	-78.12
CC1=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005127798	1	44	0.0	-79.25	352.88	8.43	-70.82
CC1=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005127798	1	44	0.0	-78.35	351.41	8.40	-69.95
CC1=[NH+]C=C2CCC(C(=O)NC3=C(C)C(C(=O)[O-])=NN3)CN21	REAL300005128664	1	39	0.0	-73.38	315.21	6.47	-66.91
CC1=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005128665	0	47	0.0	-78.11	362.13	8.37	-69.74
CC1=NC(C[NH+]2CCC(C(=O)NC3=C(C)C(C(=O)[O-])=NN3)CC2)=CS1	REAL300005128730	1	46	0.0	-83.27	375.68	7.00	-76.27
CC1=C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)NN=C1C(=O)[O-]	REAL300005128803	0	50	0.0	-82.04	401.63	8.50	-73.54
CC1=C(C(=O)[O-])NN=C1NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005128803	1	50	0.0	-75.16	404.01	8.33	-66.83
CC1=C(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)NN=C1C(=O)[O-]	REAL300005128817	0	50	0.0	-85.65	402.35	10.83	-74.82
CC1=C(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)NN=C1C(=O)[O-]	REAL300005128817	1	50	0.0	-85.09	402.36	10.84	-74.25
CC1=C(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300005128818	0	50	0.0	-77.90	381.29	9.37	-68.53
CC1=C(NC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005128860	0	47	0.0	-77.44	382.85	9.07	-68.37
CC1=C(NC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005128860	1	47	0.0	-79.18	383.85	9.20	-69.98
CC1=C(NC(=O)C2(C[NH+](C)C)CCCCC2)NN=C1C(=O)[O-]	REAL300005128897	0	46	0.0	-81.91	331.90	7.32	-74.59
CC1=C(C(=O)[O-])NN=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300005128897	1	46	0.0	-70.41	334.40	7.17	-63.24
CC1=C(NC(=O)CC[N@@H+](C)C2CCCCC2)NN=C1C(=O)[O-]	REAL300005128900	0	46	0.0	-83.29	345.98	7.35	-75.94
CC1=C(NC(=O)CC[N@H+](C)C2CCCCC2)NN=C1C(=O)[O-]	REAL300005128900	1	46	0.0	-83.25	345.98	7.33	-75.92
CC1=C(C(=O)[O-])NN=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300005128900	1	46	0.0	-72.51	348.35	7.19	-65.32
CC1=C(C(=O)[O-])NN=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300005128900	1	46	0.0	-72.52	348.34	7.17	-65.35
CC1=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)NN=C1C(=O)[O-]	REAL300005128980	0	40	0.0	-83.03	336.78	6.38	-76.65
CC1=C(NC(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)NN=C1C(=O)[O-]	REAL300005128985	0	50	0.0	-84.42	404.99	8.57	-75.85
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300005128985	1	50	0.0	-76.95	407.39	8.42	-68.53
CC1=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)NN=C1C(=O)[O-]	REAL300005129011	0	47	0.0	-73.14	344.51	7.52	-65.62
CC1=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)NN=C1C(=O)[O-]	REAL300005129011	1	47	0.0	-73.09	345.10	7.56	-65.53
CC1=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)NN=C1C(=O)[O-]	REAL300005129012	0	48	0.0	-84.95	359.28	6.01	-78.94
CC1=C(NC(=O)CCCC[NH+]2CCOCC2)NN=C1C(=O)[O-]	REAL300005129040	1	44	0.0	-84.01	345.83	5.34	-78.67
CC[N@H+](CC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)C=C1)C(C)C	REAL300005129041	0	49	0.0	-82.27	370.68	8.69	-73.58
CC[N@@H+](CC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)C=C1)C(C)C	REAL300005129041	1	49	0.0	-82.49	365.03	8.42	-74.07
CC[N@H+](CC1=CC=C(C(=O)NC2=NNC(C(=O)[O-])=C2C)C=C1)C(C)C	REAL300005129041	1	49	0.0	-75.33	373.04	8.52	-66.81
CC[N@@H+](CC1=CC=C(C(=O)NC2=NNC(C(=O)[O-])=C2C)C=C1)C(C)C	REAL300005129041	1	49	0.0	-75.52	367.42	8.26	-67.26
CC1=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005129064	0	44	0.0	-82.17	350.68	8.12	-74.05
CC1=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005129064	1	44	0.0	-82.26	350.71	8.13	-74.13
CC1=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)NN=C1C(=O)[O-]	REAL300005129065	0	45	0.0	-89.76	351.33	7.63	-82.13
CC1=C(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)NN=C1C(=O)[O-]	REAL300005129087	1	49	0.0	-78.70	384.11	6.91	-71.79
CC1=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)NN=C1C(=O)[O-]	REAL300005129088	0	48	0.0	-82.60	344.30	5.58	-77.02
CC1=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005129091	0	43	0.0	-80.34	342.67	7.75	-72.59
CC1=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005129091	1	43	0.0	-80.25	342.43	7.76	-72.49
CC1=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005129101	0	50	0.0	-84.89	391.21	9.79	-75.10
CC1=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005129101	1	50	0.0	-84.89	391.20	9.80	-75.09
CC1=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)NN=C1C(=O)[O-]	REAL300005129132	0	39	0.0	-83.23	321.52	5.37	-77.86
CCC[NH+](CCC)CCCC(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300005129143	0	48	0.0	-81.36	370.11	7.96	-73.40
CCC[NH+](CCC)CCCC(=O)NC1=NNC(C(=O)[O-])=C1C	REAL300005129143	1	48	0.0	-71.78	372.50	7.80	-63.98
CC[N@H+](C)C(C(=O)NC1=C(C)C(C(=O)[O-])=NN1)C1=CC=CC=C1	REAL300005129145	0	43	0.0	-74.48	340.67	7.86	-66.62
CC[N@@H+](C)C(C(=O)NC1=C(C)C(C(=O)[O-])=NN1)C1=CC=CC=C1	REAL300005129145	1	43	0.0	-75.24	340.84	7.85	-67.39
CC[NH+](CC)C(C(=O)NC1=C(C)C(C(=O)[O-])=NN1)C1=CC=CC=C1	REAL300005129150	0	46	0.0	-76.96	346.29	8.03	-68.93
CC1=C(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)NN=C1C(=O)[O-]	REAL300005129156	1	40	0.0	-80.66	338.95	7.75	-72.91
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)NN=C1C(=O)[O-]	REAL300005129170	0	44	0.0	-85.51	350.48	8.39	-77.12
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005129170	1	44	0.0	-78.66	352.87	8.23	-70.43
CC1=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)NN=C1C(=O)[O-]	REAL300005129177	0	47	0.0	-80.48	367.26	9.09	-71.39
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005129177	1	47	0.0	-72.54	369.62	8.93	-63.61
CCN1CCC([NH+]2CCC(C(=O)NC3=C(C)C(C(=O)[O-])=NN3)CC2)CC1	REAL300005129183	0	55	0.0	-84.28	401.32	6.56	-77.72
CC1=C(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)NN=C1C(=O)[O-]	REAL300005129190	1	51	0.0	-89.01	400.53	8.13	-80.88
CC1=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)NN=C1C(=O)[O-]	REAL300005129199	1	48	0.0	-91.39	375.10	8.16	-83.23
CC1=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)NN=C1C(=O)[O-]	REAL300005129199	1	48	0.0	-91.37	375.19	8.17	-83.20
CC1=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005129214	1	47	0.0	-76.58	366.22	8.88	-67.70
CC1=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005129214	1	47	0.0	-78.20	356.75	8.72	-69.48
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)NN=C1C(=O)[O-]	REAL300005129224	0	47	0.0	-85.84	367.25	9.10	-76.74
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005129224	1	47	0.0	-79.01	369.31	8.89	-70.12
CC1=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)NN=C1C(=O)[O-]	REAL300005129235	1	40	0.0	-83.68	330.92	5.85	-77.83
CC1=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)NN=C1C(=O)[O-]	REAL300005129236	0	43	0.0	-86.95	348.18	8.08	-78.87
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300005129236	1	43	0.0	-80.72	350.54	7.92	-72.80
CC1=C(NC(=O)C2=CC=CC=C2OCC[N@H+]2CCCCC2C)NN=C1C(=O)[O-]	REAL300005129250	0	54	0.0	-72.64	411.71	10.47	-62.17
CC1=C(NC(=O)C2=CC=CC=C2OCC[N@@H+]2CCCCC2C)NN=C1C(=O)[O-]	REAL300005129250	1	54	0.0	-71.80	407.97	10.51	-61.29
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C	REAL300005129250	1	54	0.0	-63.65	414.11	10.36	-53.29
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C	REAL300005129250	1	54	0.0	-61.71	406.93	10.09	-51.62
CC1=C(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300005129259	1	53	0.0	-78.57	405.82	10.22	-68.35
CC1=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005129293	0	43	0.0	-85.19	346.68	8.18	-77.01
CC1=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005129293	1	43	0.0	-85.19	346.70	8.19	-77.00
COCCOCC[N@H+](C)CCC(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300005129294	0	47	0.0	-82.71	375.70	4.37	-78.34
COCCOCC[N@@H+](C)CCC(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300005129294	1	47	0.0	-83.78	375.74	4.37	-79.41
COCCOCC[N@H+](C)CCC(=O)NC1=NNC(C(=O)[O-])=C1C	REAL300005129294	1	47	0.0	-72.05	378.07	4.22	-67.83
COCCOCC[N@@H+](C)CCC(=O)NC1=NNC(C(=O)[O-])=C1C	REAL300005129294	1	47	0.0	-73.21	378.12	4.20	-69.01
CC1=C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300005129304	0	52	0.0	-86.87	401.86	7.89	-78.98
CC1=C(NC(=O)CCN2CC[NH+](C(C)C)CC2)NN=C1C(=O)[O-]	REAL300005129340	0	48	0.0	-79.50	357.80	4.54	-74.96
CC1=C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)NN=C1C(=O)[O-]	REAL300005129341	0	51	0.0	-76.99	384.41	5.73	-71.26
CC1=C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)NN=C1C(=O)[O-]	REAL300005129341	1	51	0.0	-82.51	380.73	5.51	-77.00
CC1=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)NN=C1C(=O)[O-]	REAL300005129343	0	40	0.0	-86.08	331.86	5.24	-80.84
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300005129343	1	40	0.0	-78.30	334.24	5.10	-73.20
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC(C)=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300005129348	0	52	0.0	-87.70	401.75	7.75	-79.95
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300005129350	0	49	0.0	-87.86	379.86	7.05	-80.81
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)NN=C1C(=O)[O-]	REAL300005129354	0	46	0.0	-84.84	357.35	7.36	-77.48
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)NN=C1C(=O)[O-]	REAL300005129354	1	46	0.0	-81.66	357.26	7.27	-74.39
CC1=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005129387	0	47	0.0	-85.38	370.77	8.89	-76.49
CC1=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005129387	1	47	0.0	-86.41	373.15	8.96	-77.45
CC1=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)NN=C1C(=O)[O-]	REAL300005129399	0	40	0.0	-88.34	332.23	5.27	-83.07
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300005129399	1	40	0.0	-81.81	334.60	5.12	-76.69
CC1=C(NC(=O)C2=CC=NN2CC[NH+](C)C)NN=C1C(=O)[O-]	REAL300005129400	0	40	0.0	-72.38	327.34	5.26	-67.12
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300005129400	1	40	0.0	-61.53	329.68	5.08	-56.45
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300005129405	1	41	0.0	-74.56	333.51	6.95	-67.61
CC1=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)NN=C1C(=O)[O-]	REAL300005129408	1	41	0.0	-84.40	333.30	4.82	-79.58
CC1=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)NN=C1C(=O)[O-]	REAL300005129408	1	41	0.0	-82.43	328.66	4.35	-78.08
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)NN=C1C(=O)[O-]	REAL300005129419	0	47	0.0	-85.07	368.86	9.21	-75.86
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)NN=C1C(=O)[O-]	REAL300005129419	1	47	0.0	-84.45	375.07	9.00	-75.45
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)NN=C1C(=O)[O-]	REAL300005129424	0	48	0.0	-87.68	377.59	6.46	-81.22
CC1=C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)NN=C1C(=O)[O-]	REAL300005129465	1	47	0.0	-87.38	369.39	7.31	-80.07
CC1=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)NN=C1C(=O)[O-]	REAL300005129466	0	47	0.0	-81.74	352.85	7.60	-74.14
CC1=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)NN=C1C(=O)[O-]	REAL300005129466	1	47	0.0	-79.64	353.19	7.66	-71.98
CC1=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)NN=C1C(=O)[O-]	REAL300005129486	0	52	0.0	-88.67	403.26	7.94	-80.73
CC1=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)NN=C1C(=O)[O-]	REAL300005129486	1	52	0.0	-85.83	399.64	8.20	-77.63
CC1=C(NC(=O)C(C)(C)C[NH+]2CCOCC2)NN=C1C(=O)[O-]	REAL300005129493	0	44	0.0	-77.80	328.35	4.83	-72.97
CC1=C(NC(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)NN=C1C(=O)[O-]	REAL300005129496	0	53	0.0	-87.75	405.92	7.74	-80.01
CC1=C(NC(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)NN=C1C(=O)[O-]	REAL300005129496	1	53	0.0	-88.94	398.75	7.23	-81.71
CC1=C(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)NN=C1C(=O)[O-]	REAL300005129497	0	47	0.0	-90.74	371.56	6.56	-84.18
CC1=C(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)NN=C1C(=O)[O-]	REAL300005129497	1	47	0.0	-90.84	371.60	6.57	-84.27
CC1=C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)NN=C1C(=O)[O-]	REAL300005129503	0	49	0.0	-77.30	384.37	6.66	-70.64
CC1=C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)NN=C1C(=O)[O-]	REAL300005129504	0	49	0.0	-81.68	384.29	6.67	-75.01
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)C=C1	REAL300005129505	0	50	0.0	-82.45	390.69	8.37	-74.08
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=NNC(C(=O)[O-])=C2C)C=C1	REAL300005129505	1	50	0.0	-76.41	389.26	7.94	-68.47
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)NN=C1C(=O)[O-]	REAL300005129600	0	51	0.0	-88.46	398.93	6.41	-82.05
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005129600	1	51	0.0	-81.68	401.29	6.24	-75.44
CC1=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)NN=C1C(=O)[O-]	REAL300005129604	0	40	0.0	-81.57	325.69	7.25	-74.32
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300005129604	1	40	0.0	-73.53	328.06	7.07	-66.46
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005129605	0	47	0.0	-79.10	362.45	9.13	-69.97
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005129605	1	47	0.0	-79.06	362.39	9.14	-69.92
CC1=C(NC(=O)C2=CC=CC=C2C[NH+](C)C)NN=C1C(=O)[O-]	REAL300005129661	0	40	0.0	-68.30	318.45	7.47	-60.83
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300005129661	1	40	0.0	-56.72	320.79	7.32	-49.40
CC[NH+]1CCN(CCC(=O)NC2=C(C)C(C(=O)[O-])=NN2)CC1	REAL300005129663	0	45	0.0	-80.71	345.01	4.26	-76.45
CCN1CC[NH+](CCC(=O)NC2=C(C)C(C(=O)[O-])=NN2)CC1	REAL300005129663	1	45	0.0	-83.13	346.16	4.40	-78.73
CC1=C(NC(=O)C(C(C)C)[NH+]2CCCCC2)NN=C1C(=O)[O-]	REAL300005129666	0	46	0.0	-75.76	338.85	7.59	-68.17
CC1=C(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)NN=C1C(=O)[O-]	REAL300005129667	1	40	0.0	-76.22	322.28	7.23	-68.99
CC1=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005129671	0	45	0.0	-79.07	361.43	5.19	-73.88
CC1=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300005129671	1	45	0.0	-79.98	360.88	5.21	-74.77
CC1=C(NC(=O)CCN2C=C[NH+]=C2C(C)C)NN=C1C(=O)[O-]	REAL300005129676	1	41	0.0	-74.12	332.97	6.90	-67.22
CC1=C(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)NN=C1C(=O)[O-]	REAL300005129677	0	43	0.0	-72.03	346.80	7.57	-64.46
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300005129677	1	43	0.0	-60.58	349.16	7.43	-53.15
CC[NH+](CC)C(C(=O)NC1=C(C)C(C(=O)[O-])=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300005129679	0	49	0.0	-80.31	388.32	9.03	-71.28
CC1=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)NN=C1C(=O)[O-]	REAL300005129682	0	44	0.0	-79.49	324.23	6.79	-72.70
CC1=C(NC(=O)C2CCC[N@H+]2C2CCCC2)NN=C1C(=O)[O-]	REAL300005129682	1	44	0.0	-75.27	330.90	7.14	-68.13
CC1=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)NN=C1C(=O)[O-]	REAL300005129730	1	45	0.0	-84.72	360.47	7.66	-77.06
CC1=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)NN=C1C(=O)[O-]	REAL300005129730	1	45	0.0	-84.56	360.68	7.64	-76.92
CC[NH+](CC)CC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)O1	REAL300005129782	0	43	0.0	-82.02	343.38	6.65	-75.37
CC1=C(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)NN=C1C(=O)[O-]	REAL300005129783	1	46	0.0	-77.52	361.60	6.82	-70.70
CC1=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005129784	1	40	0.0	-86.00	324.22	7.34	-78.66
CC1=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300005129784	1	40	0.0	-86.00	324.27	7.35	-78.65
CC1=C(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)NN=C1C(=O)[O-]	REAL300005129787	0	52	0.0	-84.01	393.69	7.60	-76.41
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300005129787	1	52	0.0	-77.75	396.07	7.45	-70.30
CC1=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)NN=C1C(=O)[O-]	REAL300005129830	0	47	0.0	-86.14	373.01	8.82	-77.32
CC1=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)NN=C1C(=O)[O-]	REAL300005129830	1	47	0.0	-83.93	372.85	8.82	-75.11
CC1=C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)NN=C1C(=O)[O-]	REAL300005129848	0	48	0.0	-84.41	390.00	8.22	-76.19
CC1=C(C(=O)[O-])NN=C1NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005129848	1	48	0.0	-78.15	392.41	8.05	-70.10
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)NN=C1C(=O)[O-]	REAL300005129866	0	44	0.0	-82.99	352.60	7.34	-75.65
CC1=C(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)NN=C1C(=O)[O-]	REAL300005129896	0	46	0.0	-83.56	361.53	6.96	-76.60
CC1=C(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)NN=C1C(=O)[O-]	REAL300005129896	1	46	0.0	-78.13	360.55	6.98	-71.15
CC1=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)NN=C1C(=O)[O-]	REAL300005130129	0	48	0.0	-86.06	376.24	9.20	-76.86
CC1=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)NN=C1C(=O)[O-]	REAL300005130129	1	48	0.0	-87.68	378.57	9.22	-78.46
CC1=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)NN=C1C(=O)[O-]	REAL300005130241	0	37	0.0	-88.95	301.92	5.40	-83.55
CC1=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)NN=C1C(=O)[O-]	REAL300005130241	1	37	0.0	-85.16	304.96	5.22	-79.94
CC1=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)NN=C1C(=O)[O-]	REAL300005130664	0	43	0.0	-81.82	348.19	8.08	-73.74
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300005130664	1	43	0.0	-74.62	350.55	7.91	-66.71
CC1=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)NN=C1C(=O)[O-]	REAL300005130670	0	44	0.0	-83.95	355.48	7.03	-76.92
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300005130670	1	44	0.0	-78.37	357.88	6.87	-71.50
CC1=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300005130745	0	50	0.0	-82.43	387.27	9.68	-72.75
CC1=C(C(=O)[O-])NN=C1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005130745	1	50	0.0	-70.07	389.70	9.53	-60.54
CC1=C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)NN=C1C(=O)[O-]	REAL300005130747	1	48	0.0	-88.31	373.03	7.41	-80.90
CC1=C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)NN=C1C(=O)[O-]	REAL300005130747	1	48	0.0	-88.43	373.09	7.41	-81.02
CC1=C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)NN=C1C(=O)[O-]	REAL300005130832	0	46	0.0	-79.75	348.91	7.46	-72.29
CC1=C(NC(=O)C2CCC[N@H+](CC(C)C)C2)NN=C1C(=O)[O-]	REAL300005130832	1	46	0.0	-74.95	342.44	7.66	-67.29
CC1=C(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)NN=C1C(=O)[O-]	REAL300005130838	0	46	0.0	-82.01	337.55	6.85	-75.16
CC1=C(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)NN=C1C(=O)[O-]	REAL300005130838	1	46	0.0	-82.05	337.56	6.87	-75.18
O=C([O-])C1CC2CC(NC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C2C1	REAL300005132166	0	54	0.0	-83.88	404.37	10.89	-72.99
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C2C1	REAL300005132936	0	51	0.0	-69.30	382.06	9.83	-59.47
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C2C1	REAL300005132936	1	51	0.0	-57.16	381.75	10.43	-46.73
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@@H+]3CC3=CC=C(Cl)C=C3)C2C1	REAL300005133785	1	51	0.0	-77.98	406.32	10.92	-67.06
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@H+]3CC3=CC=C(Cl)C=C3)C2C1	REAL300005133785	1	51	0.0	-71.95	397.28	10.38	-61.57
O=C([O-])C1CC2CC(NC(=O)C3CC[NH+](C4CC4)CC3)C2C1	REAL300005133860	0	48	0.0	-78.10	353.05	8.57	-69.53
CC1=[NH+]C=C2CCC(C(=O)NC3CC4CC(C(=O)[O-])CC43)CN21	REAL300005133888	1	46	0.0	-65.21	347.97	8.95	-56.26
O=C([O-])C1CC2CC(NC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C2C1	REAL300005133889	0	54	0.0	-70.18	407.94	10.88	-59.30
CC1=NC(C[NH+]2CCC(C(=O)NC3CC4CC(C(=O)[O-])CC43)CC2)=CS1	REAL300005133965	1	53	0.0	-80.37	412.37	8.97	-71.40
CC(C(=O)NC1CC2CC(C(=O)[O-])CC21)N1CC[NH+](C)CC1	REAL300005133966	1	49	0.0	-71.41	354.18	6.06	-65.35
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2CC3CC(C(=O)[O-])CC32)C=C1	REAL300005134050	0	57	0.0	-65.00	428.57	11.39	-53.61
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CC3CC(C(=O)[O-])CC32)=C1	REAL300005134062	0	57	0.0	-77.79	435.73	13.30	-64.49
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CC3CC(C(=O)[O-])CC32)=C1	REAL300005134062	1	57	0.0	-78.56	435.63	13.30	-65.26
CC1(C(=O)NC2CC3CC(C(=O)[O-])CC32)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005134064	0	57	0.0	-71.73	413.16	11.70	-60.03
C[NH+](C)CC1(C(=O)NC2CC3CC(C(=O)[O-])CC32)CCCCC1	REAL300005134149	0	53	0.0	-69.06	364.08	9.54	-59.52
C[N@H+](CCC(=O)NC1CC2CC(C(=O)[O-])CC21)C1CCCCC1	REAL300005134153	0	53	0.0	-47.04	371.18	10.33	-36.71
C[N@@H+](CCC(=O)NC1CC2CC(C(=O)[O-])CC21)C1CCCCC1	REAL300005134153	1	53	0.0	-77.30	382.03	9.28	-68.02
O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@@H+]3CC3=CC=C(F)C=C3)C2C1	REAL300005134176	1	54	0.0	-72.80	407.63	10.94	-61.86
O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@H+]3CC3=CC=C(F)C=C3)C2C1	REAL300005134176	1	54	0.0	-74.62	397.60	10.76	-63.86
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)C2C1	REAL300005134177	1	51	0.0	-79.05	396.00	10.47	-68.58
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)C2C1	REAL300005134177	1	51	0.0	-72.80	386.96	9.92	-62.88
O=C([O-])C1CC2CC(NC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C2C1	REAL300005134234	0	47	0.0	-88.91	373.44	8.34	-80.57
C[NH+](C)CCN1N=CC(C(=O)NC2CC3CC(C(=O)[O-])CC32)=C1C1=CC=CC=C1	REAL300005134239	0	57	0.0	-80.58	434.16	10.98	-69.60
O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@@H+]3C3CCCC3)C2C1	REAL300005134264	0	54	0.0	-55.93	375.99	9.66	-46.27
O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@H+]3C3CCCC3)C2C1	REAL300005134264	1	54	0.0	-63.87	379.75	10.09	-53.78
O=C([O-])C1CC2CC(NC(=O)C3CCC([NH+]4CCOCC4)CC3)C2C1	REAL300005134265	0	55	0.0	-86.11	395.97	8.00	-78.11
CC1=[NH+]C=CN1CCCC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134296	1	45	0.0	-51.84	345.47	9.55	-42.29
O=C(CCCC[NH+]1CCOCC1)NC1CC2CC(C(=O)[O-])CC21	REAL300005134297	1	51	0.0	-81.82	381.88	7.29	-74.53
CC[N@H+](CC1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C=C1)C(C)C	REAL300005134299	0	56	0.0	-86.10	407.36	10.65	-75.45
CC[N@@H+](CC1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C=C1)C(C)C	REAL300005134299	1	56	0.0	-87.25	402.53	10.56	-76.69
O=C([O-])C1CC2CC(NC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C2C1	REAL300005134324	0	51	0.0	-51.06	379.39	11.13	-39.93
O=C([O-])C1CC2CC(NC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C2C1	REAL300005134324	1	51	0.0	-75.86	389.91	10.21	-65.65
O=C([O-])C1CC2CC(NC(=O)C3CC[NH+](C4CCSC4)CC3)C2C1	REAL300005134325	0	52	0.0	-86.02	387.42	9.59	-76.43
C[NH+]1CCN(C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C2=CC=CC=C2)CC1	REAL300005134354	1	56	0.0	-71.90	418.92	8.87	-63.03
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1CC2CC(C(=O)[O-])CC21	REAL300005134355	0	55	0.0	-74.23	379.11	7.55	-66.68
CC(C(=O)NC1CC2CC(C(=O)[O-])CC21)[N@H+](C)CC1=CC=CC=C1	REAL300005134358	0	50	0.0	-76.05	379.32	9.69	-66.36
CC(C(=O)NC1CC2CC(C(=O)[O-])CC21)[N@@H+](C)CC1=CC=CC=C1	REAL300005134358	1	50	0.0	-75.31	378.50	9.71	-65.60
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)C2C1	REAL300005134369	0	57	0.0	-64.92	419.32	12.52	-52.40
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)C2C1	REAL300005134369	1	57	0.0	-69.32	419.74	11.96	-57.36
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C=N1	REAL300005134398	0	46	0.0	-76.33	354.81	7.86	-68.47
CCC[NH+](CCC)CCCC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134409	0	55	0.0	-77.51	401.70	9.62	-67.89
O=C([O-])C1CC2CC(NC(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)C2C1	REAL300005134410	1	55	0.0	-70.01	412.85	7.65	-62.36
CC[N@H+](C)C(C(=O)NC1CC2CC(C(=O)[O-])CC21)C1=CC=CC=C1	REAL300005134411	0	50	0.0	-71.60	377.35	9.83	-61.77
CC[N@@H+](C)C(C(=O)NC1CC2CC(C(=O)[O-])CC21)C1=CC=CC=C1	REAL300005134411	1	50	0.0	-67.07	376.68	9.86	-57.21
CC[NH+](CC)C(C(=O)NC1CC2CC(C(=O)[O-])CC21)C1=CC=CC=C1	REAL300005134416	0	53	0.0	-74.62	383.82	9.87	-64.75
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134422	1	45	0.0	-69.16	349.37	8.43	-60.73
C[NH+](C)C(C(=O)NC1CC2CC(C(=O)[O-])CC21)C1=CC=C(Cl)C=C1	REAL300005134424	1	47	0.0	-76.13	375.00	9.71	-66.42
O=C([O-])C1CC2CC(NC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C2C1	REAL300005134438	0	51	0.0	-89.19	387.20	10.35	-78.84
O=C([O-])C1CC2CC(NC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C2C1	REAL300005134445	0	54	0.0	-79.29	403.95	11.05	-68.24
CCN1CCC([NH+]2CCC(C(=O)NC3CC4CC(C(=O)[O-])CC43)CC2)CC1	REAL300005134452	0	62	0.0	-83.33	439.10	8.67	-74.66
CC1C[NH+](CC2=CC=C(C(=O)NC3CC4CC(C(=O)[O-])CC43)C=C2)CC(C)O1	REAL300005134459	1	58	0.0	-90.67	436.63	10.07	-80.60
O=C([O-])C1CC2CC(NC(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)C2C1	REAL300005134470	1	55	0.0	-83.11	409.51	10.18	-72.93
O=C([O-])C1CC2CC(NC(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)C2C1	REAL300005134470	1	55	0.0	-86.49	418.45	10.22	-76.27
O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C2C1	REAL300005134485	0	54	0.0	-69.25	391.18	10.70	-58.55
O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C2C1	REAL300005134485	1	54	0.0	-69.33	391.74	10.72	-58.61
CC1=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C=NN1C1=CC=[NH+]C=C1	REAL300005134487	1	45	0.0	-80.69	358.13	7.60	-73.09
O=C([O-])C1CC2CC(NC(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C2C1	REAL300005134495	0	54	0.0	-89.28	403.94	11.06	-78.22
O=C([O-])C1CC2CC(NC(=O)C3=NOC(C[NH+]4CCCC4)=C3)C2C1	REAL300005134507	1	47	0.0	-83.52	368.69	7.89	-75.63
C[NH+](C)CCC1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C=C1	REAL300005134508	0	50	0.0	-90.18	384.25	10.02	-80.16
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134519	1	43	0.0	-63.55	330.20	7.31	-56.24
O=C([O-])C1CC2CC(NC(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)C2C1	REAL300005134520	1	52	0.0	-68.25	392.96	9.89	-58.36
O=C([O-])C1CC2CC(NC(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)C2C1	REAL300005134520	1	52	0.0	-67.97	387.21	10.07	-57.90
CC(C(=O)NC1CC2CC(C(=O)[O-])CC21)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005134534	0	60	0.0	-44.62	432.59	13.13	-31.49
CC(C(=O)NC1CC2CC(C(=O)[O-])CC21)[NH+]1CCSCC1	REAL300005134574	1	45	0.0	-73.88	338.99	7.55	-66.33
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134581	0	50	0.0	-75.99	382.75	10.13	-65.86
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134581	1	50	0.0	-76.61	383.37	10.14	-66.47
COCCOCC[N@H+](C)CCC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134582	0	54	0.0	-77.18	412.39	6.33	-70.85
COCCOCC[N@@H+](C)CCC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134582	1	54	0.0	-49.73	400.94	7.36	-42.37
C[N@@H+]1CCCC(O)(CC(=O)NC2CC3CC(C(=O)[O-])CC32)C1	REAL300005134586	0	48	0.0	-68.82	344.37	5.89	-62.93
C[N@H+]1CCCC(O)(CC(=O)NC2CC3CC(C(=O)[O-])CC32)C1	REAL300005134586	1	48	0.0	-76.34	341.83	5.95	-70.39
O=C([O-])C1CC2CC(NC(=O)CCC[NH+]3CCN(C4=CC=CC=C4)CC3)C2C1	REAL300005134596	0	59	0.0	-83.05	438.53	9.85	-73.20
O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)C2C1	REAL300005134597	1	53	0.0	-73.12	396.23	9.13	-63.99
O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)C2C1	REAL300005134597	1	53	0.0	-73.09	395.63	9.10	-63.99
O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)C2C1	REAL300005134598	1	53	0.0	-62.55	382.67	9.01	-53.54
O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)C2C1	REAL300005134598	1	53	0.0	-73.76	397.71	9.01	-64.75
CCCCCC[N@H+](C)CC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134600	0	52	0.0	-74.59	387.96	9.46	-65.13
CCCCCC[N@@H+](C)CC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134600	1	52	0.0	-74.07	387.34	9.45	-64.62
C[N@H+](CC(=O)NC1CC2CC(C(=O)[O-])CC21)C1CCSC1	REAL300005134629	0	45	0.0	-76.64	343.10	7.93	-68.71
C[N@@H+](CC(=O)NC1CC2CC(C(=O)[O-])CC21)C1CCSC1	REAL300005134629	1	45	0.0	-77.19	342.88	7.94	-69.25
CC(C)[NH+]1CCN(CCC(=O)NC2CC3CC(C(=O)[O-])CC32)CC1	REAL300005134644	0	55	0.0	-79.34	399.58	6.89	-72.45
CC(C)N1CC[NH+](CCC(=O)NC2CC3CC(C(=O)[O-])CC32)CC1	REAL300005134644	1	55	0.0	-76.93	395.46	6.67	-70.26
CC(C)[NH+]1CCN(CCCC(=O)NC2CC3CC(C(=O)[O-])CC32)CC1	REAL300005134645	0	58	0.0	-57.68	409.61	8.72	-48.96
CC(C)N1CC[NH+](CCCC(=O)NC2CC3CC(C(=O)[O-])CC32)CC1	REAL300005134645	1	58	0.0	-78.68	417.39	7.48	-71.20
O=C([O-])C1CC2CC(NC(=O)C3CCCC4CCC[N@@H+]43)C2C1	REAL300005134646	0	48	0.0	-64.98	336.17	8.63	-56.35
O=C([O-])C1CC2CC(NC(=O)C3CCCC4CCC[N@H+]43)C2C1	REAL300005134646	1	48	0.0	-68.26	346.32	8.54	-59.72
C[NH+](C)CCN1C=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C=N1	REAL300005134648	0	47	0.0	-80.66	366.69	7.20	-73.46
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3CC4CC(C(=O)[O-])CC43)CC2)=C1	REAL300005134655	0	59	0.0	-81.06	437.82	9.70	-71.36
O=C([O-])C1CC2CC(NC(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)C2C1	REAL300005134657	0	56	0.0	-81.36	417.02	9.05	-72.31
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C2C1	REAL300005134660	0	53	0.0	-77.56	399.66	9.17	-68.39
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C2C1	REAL300005134660	1	53	0.0	-78.63	399.59	9.13	-69.50
CC(C(=O)NC1CC2CC(C(=O)[O-])CC21)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005134665	1	51	0.0	-59.77	373.96	10.44	-49.33
CC(C(=O)NC1CC2CC(C(=O)[O-])CC21)[N@H+]1CCC2=CC=CC=C2C1	REAL300005134665	1	51	0.0	-58.98	374.07	10.44	-48.54
O=C([O-])C1CC2CC(NC(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C2C1	REAL300005134693	0	54	0.0	-67.28	400.83	11.01	-56.27
O=C([O-])C1CC2CC(NC(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C2C1	REAL300005134693	1	54	0.0	-81.67	407.80	10.87	-70.80
C[NH+](C)CCN1C=CC(C(=O)NC2CC3CC(C(=O)[O-])CC32)=N1	REAL300005134708	0	47	0.0	-94.22	368.89	7.22	-87.00
C[NH+](C)CCN1N=CC=C1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134709	0	47	0.0	-68.98	362.63	7.18	-61.80
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005134715	1	48	0.0	-71.82	370.19	8.92	-62.90
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)C2C1	REAL300005134731	0	54	0.0	-77.54	411.13	11.01	-66.53
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)C2C1	REAL300005134731	1	54	0.0	-77.67	411.07	10.96	-66.71
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CCC[N@@H+]1CCCCC1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005135029	0	50	0.0	-62.33	362.29	9.20	-53.13
CCC[N@H+]1CCCCC1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005135029	1	50	0.0	-68.17	363.50	8.71	-59.46
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005135031	0	47	0.0	-63.91	353.22	9.44	-54.47
CC[NH+]1CCN(CCC(=O)NC2CC3CC(C(=O)[O-])CC32)CC1	REAL300005135033	0	52	0.0	-79.06	382.22	6.36	-72.70
CCN1CC[NH+](CCC(=O)NC2CC3CC(C(=O)[O-])CC32)CC1	REAL300005135033	1	52	0.0	-77.09	382.22	6.35	-70.74
CC(C)C(C(=O)NC1CC2CC(C(=O)[O-])CC21)[NH+]1CCCCC1	REAL300005135035	0	53	0.0	-67.34	369.36	9.85	-57.49
C[NH+](C)C(C(=O)NC1CC2CC(C(=O)[O-])CC21)C1=CC=CC=C1	REAL300005135036	1	47	0.0	-72.30	358.27	9.19	-63.11
O=C([O-])C1CC2CC(NC(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C2C1	REAL300005135040	0	52	0.0	-61.49	391.89	7.30	-54.19
O=C([O-])C1CC2CC(NC(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C2C1	REAL300005135040	1	52	0.0	-70.11	394.04	7.64	-62.47
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005135046	1	48	0.0	-70.52	369.03	8.85	-61.67
C[NH+](C)CC1=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)OC2=CC=CC=C21	REAL300005135047	0	50	0.0	-68.18	387.66	9.55	-58.63
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@@H+]3C3CCCC3)C2C1	REAL300005135052	0	51	0.0	-56.07	352.91	9.07	-47.00
O=C([O-])C1CC2CC(NC(=O)C3CCC[N@H+]3C3CCCC3)C2C1	REAL300005135052	1	51	0.0	-69.86	369.45	9.14	-60.72
CC(C)C(C(=O)NC1CC2CC(C(=O)[O-])CC21)[NH+]1CC(C)OC(C)C1	REAL300005135081	1	57	0.0	-72.77	408.85	8.75	-64.02
CC(C(=O)NC1CC2CC(C(=O)[O-])CC21)[NH+]1CCCCCC1	REAL300005135082	0	50	0.0	-69.53	352.61	8.16	-61.37
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC4CC(C(=O)[O-])CC43)=CC=C1N2	REAL300005135118	1	52	0.0	-83.28	396.07	9.65	-73.63
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC4CC(C(=O)[O-])CC43)=CC=C1N2	REAL300005135118	1	52	0.0	-85.51	397.12	9.61	-75.90
CC[NH+](CC)CC1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)O1	REAL300005135176	0	50	0.0	-62.58	378.83	9.07	-53.51
O=C(CCCC[NH+]1CCCC1)NC1CC2CC(C(=O)[O-])CC21	REAL300005135177	0	50	0.0	-79.21	375.56	9.03	-70.18
CC1=CC=C(N2CCC(C(=O)NC3CC4CC(C(=O)[O-])CC43)CC2)[NH+]=C1	REAL300005135179	1	53	0.0	-79.07	398.26	8.79	-70.28
C[N@H+](CC(=O)NC1CC2CC(C(=O)[O-])CC21)CC1=CC=CC=C1	REAL300005135180	1	47	0.0	-78.00	360.89	9.30	-68.70
C[N@@H+](CC(=O)NC1CC2CC(C(=O)[O-])CC21)CC1=CC=CC=C1	REAL300005135180	1	47	0.0	-77.49	360.32	9.29	-68.20
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3CC4CC(C(=O)[O-])CC43)C=C2)CC1	REAL300005135184	0	59	0.0	-88.61	429.78	9.56	-79.05
O=C([O-])C1CC2CC(NC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2C1	REAL300005135198	1	42	0.0	-79.72	340.17	7.67	-72.05
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005135233	0	54	0.0	-65.20	399.50	10.88	-54.32
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005135233	1	54	0.0	-85.47	408.36	10.76	-74.71
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CC(C)(C)[N@H+]1C[C@H](C(=O)NC2CC3CC(C(=O)[O-])CC32)[C@@H](C(F)(F)F)C1	REAL300005135321	1	53	0.0	-77.58	395.09	9.03	-68.55
CCC[N@@H+]1CCCC(C(=O)NC2CC3CC(C(=O)[O-])CC32)C1	REAL300005135465	0	50	0.0	-68.31	360.07	8.95	-59.36
CCC[N@H+]1CCCC(C(=O)NC2CC3CC(C(=O)[O-])CC32)C1	REAL300005135465	1	50	0.0	-69.69	365.70	9.30	-60.39
CC(C)C[N@@H+]1CCCC1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005135497	0	50	0.0	-64.89	364.61	9.25	-55.64
CC(C)C[N@H+]1CCCC1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005135497	1	50	0.0	-72.79	356.38	8.89	-63.90
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O=C([O-])C1CC2CC(NC(=O)C3CCCC[N@@H+]3CC3=CC=CC(F)=C3)C2C1	REAL300005135632	1	54	0.0	-62.88	394.20	10.93	-51.95
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CC(C)[N@@H+]1CCCC(C(=O)NC2CC3CC(C(=O)[O-])CC32)C1	REAL300005135721	0	50	0.0	-48.16	351.09	9.41	-38.75
CC(C)[N@H+]1CCCC(C(=O)NC2CC3CC(C(=O)[O-])CC32)C1	REAL300005135721	1	50	0.0	-70.17	360.77	8.50	-61.67
C[N@@H+]1CC(C(=O)NC2CC3CC(C(=O)[O-])CC32)C(C(F)(F)F)C1	REAL300005135722	0	44	0.0	-83.04	345.71	7.48	-75.56
C[N@H+]1CC(C(=O)NC2CC3CC(C(=O)[O-])CC32)C(C(F)(F)F)C1	REAL300005135722	1	44	0.0	-67.60	336.76	7.61	-59.99
CC1=C(C)[NH+]=C(CCC(=O)NC2CC3CC(C(=O)[O-])CC32)N1	REAL300005135748	1	45	0.0	-45.88	344.74	7.93	-37.95
C[NH+](C)CCC1=CC=CC(C(=O)NC2CC3CC(C(=O)[O-])CC32)=C1	REAL300005136222	0	50	0.0	-78.06	381.51	10.55	-67.51
C[NH+](C)CCOC1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C=C1	REAL300005136228	0	51	0.0	-89.89	392.17	8.98	-80.91
O=C([O-])C1CC2CC(NC(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)C2C1	REAL300005136318	0	57	0.0	-58.42	412.43	12.67	-45.75
CC1C[N@H+](CC2=CC=C(C(=O)NC3CC4CC(C(=O)[O-])CC43)C=C2)CCO1	REAL300005136320	1	55	0.0	-63.03	402.06	9.81	-53.22
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CC4CC(C(=O)[O-])CC43)C=C2)CCO1	REAL300005136320	1	55	0.0	-82.91	414.63	9.41	-73.50
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CC3CC(C(=O)[O-])CC32)CC1	REAL300005136363	0	50	0.0	-54.87	347.12	9.34	-45.53
CC(C)C[N@@H+]1CCCC(C(=O)NC2CC3CC(C(=O)[O-])CC32)C1	REAL300005136429	0	53	0.0	-61.51	380.23	9.59	-51.92
CC(C)C[N@H+]1CCCC(C(=O)NC2CC3CC(C(=O)[O-])CC32)C1	REAL300005136429	1	53	0.0	-61.51	380.23	9.59	-51.92
CN(C)CC1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)O1	REAL300005136434	0	44	0.0	-79.00	346.94	7.52	-71.48
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)O1	REAL300005136434	1	44	0.0	-79.00	346.94	7.52	-71.48
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CC3CC(C(=O)[O-])CC32)C1	REAL300005136439	0	53	0.0	-69.24	361.62	8.57	-60.67
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CC3CC(C(=O)[O-])CC32)C1	REAL300005136439	1	53	0.0	-69.24	361.62	8.57	-60.67
O=C([O-])C1CC2CC(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)C2C1	REAL300005136442	0	46	0.0	-70.98	339.38	9.55	-61.43
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC[C@]12C[C@H]1COC21CCC1	REAL300005136514	0	49	0.0	-47.56	357.70	6.73	-40.83
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(O)(CCC(F)(F)F)CC2)C1	REAL300005136659	0	50	0.0	-47.66	371.18	6.38	-41.28
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(O)(CCC(F)(F)F)CC2)C1	REAL300005136659	1	50	0.0	-47.66	371.18	6.38	-41.28
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005136709	0	46	0.0	-73.91	348.76	8.53	-65.38
CCC(C)[NH+]1CCC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300005136710	0	50	0.0	-79.14	376.11	8.74	-70.40
CCC(C)[NH+]1CCC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300005136711	0	46	0.0	-81.64	344.94	8.46	-73.18
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])S2)CC1	REAL300005136712	0	43	0.0	-66.59	339.23	7.62	-58.97
CCC(C)[NH+]1CCC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300005136713	0	45	0.0	-61.84	343.15	6.74	-55.10
CCC(C)[NH+]1CCC(NC(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC1	REAL300005136714	0	53	0.0	-78.26	397.54	10.22	-68.04
CCOC1=CC(C(=O)NC2CC[NH+](C(C)CC)CC2)=CC=C1OCC(=O)[O-]	REAL300005136715	0	57	0.0	-78.21	427.00	9.42	-68.79
CCC(C)[NH+]1CCC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005136716	0	52	0.0	-76.63	391.00	9.93	-66.70
CCC(C)[NH+]1CCC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300005136717	0	45	0.0	-84.16	341.02	6.69	-77.47
CCC(C)[NH+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005136718	0	50	0.0	-76.91	379.88	9.65	-67.26
CCC(C)[NH+]1CCC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005136719	0	54	0.0	-74.64	423.65	4.83	-69.81
CCC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300005136720	0	48	0.0	-73.55	373.53	9.13	-64.42
CCC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300005136721	0	48	0.0	-73.55	373.53	9.13	-64.42
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)CC1	REAL300005136722	0	56	0.0	-79.09	423.76	10.09	-69.00
CCC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300005136723	0	53	0.0	-75.81	402.79	9.48	-66.33
CCC(C)[NH+]1CCC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])CC1	REAL300005136724	0	52	0.0	-67.19	382.42	9.67	-57.52
CCC(C)[NH+]1CCC(NC(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)CC1	REAL300005136725	0	56	0.0	-75.01	420.03	10.29	-64.72
CCC(C)[NH+]1CCC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300005136726	0	49	0.0	-80.59	369.61	9.11	-71.48
CCC(C)[NH+]1CCC(NC(=O)C2CCCC(C(=O)[O-])C2)CC1	REAL300005136727	0	52	0.0	-80.13	364.64	8.55	-71.58
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300005136728	0	45	0.0	-73.28	340.81	6.67	-66.61
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300005136729	0	45	0.0	-64.23	342.43	6.73	-57.50
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300005136730	0	46	0.0	-73.71	349.55	8.54	-65.17
CCC(C)[NH+]1CCC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)CC1	REAL300005136731	0	44	0.0	-66.67	338.01	4.87	-61.80
CCC(C)[NH+]1CCC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300005136732	0	52	0.0	-72.65	371.42	8.71	-63.94
CCC(C)[NH+]1CCC(NC(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300005136733	0	52	0.0	-72.86	374.89	8.76	-64.10
CCC(C)[NH+]1CCC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005136734	0	49	0.0	-82.62	369.70	9.13	-73.49
CCC(C)[NH+]1CCC(NC(=O)CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005136735	0	45	0.0	-83.44	346.75	5.11	-78.33
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C(C)=N2)CC1	REAL300005136736	0	48	0.0	-64.58	362.26	7.30	-57.28
CCC(C)[NH+]1CCC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300005136737	0	46	0.0	-75.18	366.66	9.07	-66.11
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005136738	0	46	0.0	-73.91	348.76	8.53	-65.38
CCC(C)[NH+]1CCC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300005136739	0	49	0.0	-75.55	367.22	9.23	-66.32
CCC(C)[NH+]1CCC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300005136740	0	56	0.0	-68.76	411.08	11.83	-56.93
CCC(C)[NH+]1CCC(NC(=O)C2=C(CC(=O)[O-])OC=C2)CC1	REAL300005136741	0	46	0.0	-73.63	351.23	7.43	-66.20
CCC(C)[NH+]1CCC(NC(=O)C2=C(CC(=O)[O-])OC=C2C)CC1	REAL300005136742	0	49	0.0	-59.23	378.07	8.05	-51.18
CCC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300005136743	0	45	0.0	-70.69	342.63	6.74	-63.95
CCC(C)[NH+]1CCC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC1	REAL300005136744	0	55	0.0	-77.06	389.83	9.39	-67.67
CCC(C)[NH+]1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	REAL300005136745	0	53	0.0	-80.44	379.02	8.84	-71.60
CCC(C)[NH+]1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300005136746	0	56	0.0	-75.41	392.33	9.43	-65.98
CCC(C)[NH+]1CCC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300005136747	0	48	0.0	-76.04	370.64	7.81	-68.23
CCC(C)[NH+]1CCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300005136748	0	53	0.0	-79.17	397.18	9.17	-70.00
CCC(C)[NH+]1CCC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300005136749	0	59	0.0	-70.95	423.68	11.39	-59.56
CCC(C)[NH+]1CCC(NC(=O)C2=C(C)OC(C(=O)[O-])=C2)CC1	REAL300005136750	0	46	0.0	-66.72	348.17	7.60	-59.12
CCC(C)[NH+]1CCC(NC(=O)C2=CC(C)=C(C(=O)[O-])O2)CC1	REAL300005136751	0	46	0.0	-62.90	349.38	7.43	-55.47
CCC(C)[NH+]1CCC(NC(=O)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300005136752	0	46	0.0	-79.80	351.68	6.59	-73.21
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300005136753	0	47	0.0	-66.55	368.33	8.10	-58.45
CCC(C)[NH+]1CCC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300005136754	0	53	0.0	-54.83	376.80	8.97	-45.86
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300005136755	0	50	0.0	-73.29	379.77	8.82	-64.47
CCC(C)[NH+]1CCC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300005136756	0	55	0.0	-81.53	413.17	9.01	-72.52
CCC(C)[NH+]1CCC(NC(=O)CCSCC(=O)[O-])CC1	REAL300005136757	0	46	0.0	-69.90	354.87	7.65	-62.25
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300005136758	0	45	0.0	-64.23	342.43	6.73	-57.50
CCC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=NN2C)CC1	REAL300005136759	0	46	0.0	-71.86	347.04	6.13	-65.73
CCC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1	REAL300005136760	0	50	0.0	-79.04	371.13	8.02	-71.02
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300005136761	0	49	0.0	-70.79	370.95	9.30	-61.49
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300005136762	0	50	0.0	-75.10	380.85	9.82	-65.28
CCC(C)[NH+]1CCC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC1	REAL300005136763	0	47	0.0	-73.25	364.10	7.90	-65.35
CCC(C)[NH+]1CCC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])CC1	REAL300005136764	0	52	0.0	-75.47	379.91	10.00	-65.47
CCC(C)[NH+]1CCC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)CC1	REAL300005136765	0	49	0.0	-81.35	377.71	4.19	-77.16
CCC(C)[NH+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300005136766	0	47	0.0	-69.80	365.64	8.27	-61.53
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300005136767	0	49	0.0	-81.81	364.82	9.07	-72.74
CCC(C)[NH+]1CCC(NC(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300005136768	0	45	0.0	-74.19	340.09	6.65	-67.54
CCC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CN=C2C)CC1	REAL300005136769	0	48	0.0	-61.27	356.38	7.31	-53.96
CCC(C)[NH+]1CCC(NC(=O)CN2C=CC(C(=O)[O-])=N2)CC1	REAL300005136770	0	46	0.0	-88.72	351.01	6.61	-82.11
CCC(C)[NH+]1CCC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC1	REAL300005136771	0	52	0.0	-89.14	394.62	7.98	-81.16
CCC(C)[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	REAL300005136772	0	53	0.0	-78.75	389.17	8.40	-70.35
CCC(C)[NH+]1CCC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	REAL300005136773	0	53	0.0	-72.51	387.84	7.25	-65.26
CCC(C)[NH+]1CCC(NC(=O)C2=C(C)C=C(C(=O)[O-])O2)CC1	REAL300005136774	0	46	0.0	-63.43	352.96	7.58	-55.85
CCC(C)[NH+]1CCC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC1	REAL300005136775	0	54	0.0	-59.08	376.66	9.43	-49.65
CCC(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300005136776	0	52	0.0	-73.65	361.05	8.99	-64.66
CCC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005136777	1	54	0.0	-70.54	384.55	6.51	-64.03
CCC(C)[NH+]1CCC(NC(=O)CN2CCCC(C(=O)[O-])C2)CC1	REAL300005136777	1	54	0.0	-70.54	384.55	6.51	-64.03
CCC(C)[NH+]1CCC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300005136778	0	53	0.0	-55.52	385.24	10.51	-45.01
CCC(C)[NH+]1CCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300005136779	0	53	0.0	-79.17	397.18	9.17	-70.00
CCC(C)[NH+]1CCC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300005136780	0	53	0.0	-89.80	402.95	10.57	-79.23
CCC(C)[NH+]1CCC(NC(=O)C2CC3(CC3C(=O)[O-])C2)CC1	REAL300005136781	0	50	0.0	-72.82	369.85	8.84	-63.98
CCC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)CC1	REAL300005136782	0	52	0.0	-77.60	375.04	9.47	-68.13
CCC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC=C2C)CC1	REAL300005136783	0	49	0.0	-62.85	360.96	9.13	-53.72
CCC(C)[NH+]1CCC(NC(=O)C2=C(C(=O)[O-])SC=C2)CC1	REAL300005136784	0	43	0.0	-78.07	332.56	8.40	-69.67
CCC(C)[NH+]1CCC(NC(=O)C2=CN=CC(C(=O)[O-])=C2C)CC1	REAL300005136785	0	48	0.0	-72.42	350.46	7.26	-65.16
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300005136786	0	49	0.0	-73.39	360.94	9.12	-64.27
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300005136787	0	46	0.0	-72.28	357.51	8.96	-63.32
CCC(C)[NH+]1CCC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005136788	0	53	0.0	-74.79	389.72	9.37	-65.42
CCC(C)[NH+]1CCC(NC(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)CC1	REAL300005136789	0	49	0.0	-59.91	372.88	6.06	-53.85
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])N2C)CC1	REAL300005136790	0	47	0.0	-73.20	347.63	7.66	-65.54
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300005136791	0	52	0.0	-72.64	392.35	10.10	-62.54
CCC(C)[NH+]1CCC(NC(=O)C2=C(C(=O)[O-])C(C)=NN2)CC1	REAL300005136792	0	46	0.0	-74.73	340.58	6.27	-68.46
CCC(C)[NH+]1CCC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300005136793	0	50	0.0	-71.81	379.11	8.95	-62.86
CCC(C)[NH+]1CCC(NC(=O)C2=CSC(C(=O)[O-])=N2)CC1	REAL300005136794	0	42	0.0	-59.79	338.44	5.67	-54.12
CCC(C)[NH+]1CCC(NC(=O)C2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300005136795	0	46	0.0	-63.76	354.28	8.30	-55.46
CCC(C)[NH+]1CCC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300005136796	0	46	0.0	-74.49	378.59	9.09	-65.40
CCC(C)[NH+]1CCC(NC(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC1	REAL300005136797	0	50	0.0	-74.79	382.65	8.14	-66.65
CCC(C)[NH+]1CCC(NC(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)CC1	REAL300005136798	0	49	0.0	-66.35	372.86	8.87	-57.48
CCC(C)[NH+]1CCC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300005136799	0	49	0.0	-80.68	380.20	9.73	-70.95
CCC(C)[NH+]1CCC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300005136800	0	51	0.0	-73.98	378.51	7.91	-66.07
CCC(C)[NH+]1CCC(NC(=O)C23CC(C(=O)[O-])(C2)CO3)CC1	REAL300005136801	0	48	0.0	-66.27	355.19	6.05	-60.22
CCC(C)[NH+]1CCC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005136802	0	50	0.0	-76.88	379.55	9.65	-67.23
CCC(C)[NH+]1CCC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300005136803	0	53	0.0	-54.83	376.80	8.97	-45.86
CCC(C)[NH+]1CCC(NC(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300005136804	0	46	0.0	-71.52	350.92	5.89	-65.63
CCC(C)[NH+]1CCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300005136805	0	47	0.0	-64.72	370.56	7.49	-57.23
CCC(C)[NH+]1CCC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300005136806	0	47	0.0	-75.36	374.08	7.66	-67.70
CCC(C)[NH+]1CCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300005136807	0	47	0.0	-66.23	361.91	6.62	-59.61
CCC(C)[NH+]1CCC(NC(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300005136808	0	49	0.0	-78.38	355.17	8.96	-69.42
CCC(C)[NH+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300005136809	0	49	0.0	-78.05	375.57	7.88	-70.17
CCC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300005136810	0	43	0.0	-77.48	338.25	7.47	-70.01
CCC(C)[NH+]1CCC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300005136811	0	51	0.0	-69.23	364.43	7.18	-62.05
CCC(C)[NH+]1CCC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300005136812	0	52	0.0	-80.03	380.93	10.54	-69.49
CCC(C)[NH+]1CCC(NC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC1	REAL300005136813	0	52	0.0	-58.43	373.12	8.50	-49.93
CCC(C)[NH+]1CCC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300005136814	0	52	0.0	-84.06	390.15	9.66	-74.40
CCC(C)[NH+]1CCC(NC(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300005136815	0	46	0.0	-80.10	361.51	8.28	-71.82
CCC(C)[NH+]1CCC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300005136816	0	49	0.0	-84.73	374.49	9.16	-75.57
CCC(C)[NH+]1CCC(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300005136817	0	53	0.0	-68.25	397.77	10.06	-58.19
CCC(C)[NH+]1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300005136818	0	56	0.0	-75.41	392.33	9.43	-65.98
CC1=CC=C2NC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300005137158	0	50	0.0	-51.89	385.28	8.90	-42.99
CC1=CC=C2NC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300005137158	1	50	0.0	-48.94	383.37	8.46	-40.48
O=C([O-])C1=CC=C(C(=O)NC2(C3=CC=CC=C3)CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300005137210	0	51	0.0	-68.06	407.90	11.26	-56.80
O=C([O-])C1=CC=C(C(=O)NC2(C3=CC=CC=C3)CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300005137210	1	51	0.0	-67.46	409.79	11.40	-56.06
CC(C)(CC(=O)[O-])CC(=O)NC1(C2=CC=CC=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005137211	0	59	0.0	-80.54	432.96	12.40	-68.14
CC(C)(CC(=O)[O-])CC(=O)NC1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005137211	1	59	0.0	-81.05	435.02	12.47	-68.58
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2(C3=CC=CC=C3)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005137212	0	57	0.0	-89.90	428.75	12.48	-77.42
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2(C3=CC=CC=C3)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005137212	1	57	0.0	-89.08	429.95	12.52	-76.56
CC(C)(CC(=O)[O-])CC(=O)NC1(C2=CC=CC=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005137213	0	59	0.0	-80.54	432.96	12.40	-68.14
CC(C)(CC(=O)[O-])CC(=O)NC1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005137213	1	59	0.0	-81.05	435.02	12.47	-68.58
O=C([O-])CCCC(=O)NC1(C2=CC=CC=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005137214	0	53	0.0	-84.61	410.15	11.51	-73.10
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COCC1(C(=O)[O-])CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300005140735	1	58	0.0	-82.25	423.80	10.33	-71.92
COCC1(C(=O)[O-])CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300005140735	1	58	0.0	-79.80	430.58	10.38	-69.42
COCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300005140747	0	57	0.0	-62.57	412.85	10.78	-51.79
COCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300005140747	1	57	0.0	-64.24	414.72	10.23	-54.01
COCC1(C(=O)[O-])CCN(C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300005140749	1	48	0.0	-78.84	372.36	6.66	-72.18
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300005140757	0	57	0.0	-82.42	414.62	10.82	-71.60
COCC1(C(=O)[O-])CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300005140770	1	50	0.0	-80.21	378.86	7.50	-72.71
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)CC1	REAL300005140771	0	53	0.0	-84.65	395.56	9.80	-74.85
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005140783	1	46	0.0	-63.47	348.78	6.28	-57.19
COCC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300005140784	1	55	0.0	-80.70	400.10	9.36	-71.34
COCC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300005140784	1	55	0.0	-66.85	399.11	9.48	-57.37
COCC1(C(=O)[O-])CCN(C(=O)C(C)[NH+]2CCSCC2)CC1	REAL300005140841	1	48	0.0	-69.62	353.98	7.78	-61.84
COCC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1	REAL300005140847	0	52	0.0	-69.97	366.01	8.37	-61.60
COCC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1	REAL300005140847	1	52	0.0	-69.77	364.07	8.22	-61.55
COCC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)CC1	REAL300005140849	0	53	0.0	-74.38	395.37	10.25	-64.13
COCC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)CC1	REAL300005140849	1	53	0.0	-74.21	395.38	10.26	-63.95
COCCOCC[N@H+](C)CCC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005140850	0	57	0.0	-74.24	424.40	6.47	-67.77
COCCOCC[N@@H+](C)CCC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005140850	1	57	0.0	-75.80	425.64	5.74	-70.06
COCC1(C(=O)[O-])CCN(C(=O)CC2(O)CCC[N@H+](C)C2)CC1	REAL300005140854	0	51	0.0	-70.66	367.74	5.46	-65.20
COCC1(C(=O)[O-])CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)CC1	REAL300005140854	1	51	0.0	-66.57	356.72	5.99	-60.58
COCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300005140871	1	56	0.0	-70.55	398.54	8.01	-62.54
COCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300005140871	1	56	0.0	-68.85	397.69	8.55	-60.30
COCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300005140872	1	56	0.0	-66.68	407.32	9.12	-57.56
COCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300005140872	1	56	0.0	-75.27	401.50	8.67	-66.60
CCCCCC[N@H+](C)CC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005140874	0	55	0.0	-71.55	399.95	9.57	-61.98
CCCCCC[N@@H+](C)CC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005140874	1	55	0.0	-71.74	399.96	9.57	-62.17
COCC1(C(=O)[O-])CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300005140884	0	48	0.0	-65.25	334.10	6.37	-58.88
COCC1(C(=O)[O-])CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300005140892	1	42	0.0	-74.25	332.41	8.48	-65.77
COCC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)C2CCSC2)CC1	REAL300005140910	0	48	0.0	-74.97	355.53	8.06	-66.91
COCC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)C2CCSC2)CC1	REAL300005140910	1	48	0.0	-73.79	355.73	8.05	-65.74
COCC1(C(=O)[O-])CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1	REAL300005140925	0	58	0.0	-71.46	411.60	7.05	-64.41
COCC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)CC1	REAL300005140925	1	58	0.0	-73.62	408.08	6.84	-66.78
COCC1(C(=O)[O-])CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CC1	REAL300005140926	0	61	0.0	-72.65	433.09	7.83	-64.82
COCC1(C(=O)[O-])CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1	REAL300005140926	1	61	0.0	-74.65	433.70	7.06	-67.59
COCC1(C(=O)[O-])CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300005140927	0	51	0.0	-66.62	350.70	7.88	-58.74
COCC1(C(=O)[O-])CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300005140927	1	51	0.0	-62.57	362.14	7.80	-54.77
COCC1(C(=O)[O-])CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)CC1	REAL300005140929	0	50	0.0	-80.13	379.91	6.27	-73.86
COCC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300005140938	0	59	0.0	-78.08	429.75	8.41	-69.67
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300005140941	0	56	0.0	-75.60	402.75	9.24	-66.36
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300005140941	1	56	0.0	-79.57	413.22	9.07	-70.50
COCC1(C(=O)[O-])CCN(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)CC1	REAL300005140946	0	54	0.0	-68.38	390.09	10.11	-58.27
COCC1(C(=O)[O-])CCN(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)CC1	REAL300005140946	1	54	0.0	-70.66	389.81	10.14	-60.52
CCC(CC)C(C(=O)N1CCC(COC)(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300005140963	1	60	0.0	-62.16	401.62	7.98	-54.18
CCCC(C(=O)N1CCC(COC)(C(=O)[O-])CC1)[NH+](C)C	REAL300005140969	0	49	0.0	-67.42	347.49	7.59	-59.83
COCC1(C(=O)[O-])CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005140971	0	57	0.0	-76.94	419.33	11.01	-65.93
COCC1(C(=O)[O-])CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005140971	1	57	0.0	-77.11	419.18	11.03	-66.08
COCC1(C(=O)[O-])CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)CC1	REAL300005140986	0	50	0.0	-85.34	379.26	6.91	-78.43
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=NN2CC[NH+](C)C)CC1	REAL300005140987	0	50	0.0	-69.46	374.56	6.30	-63.16
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005140993	1	51	0.0	-66.95	383.41	8.34	-58.61
CC[C@@H]1[C@@H](C(=O)N2CCC(COC)(C(=O)[O-])CC2)CC[N@@H+]1C	REAL300005140996	0	50	0.0	-75.50	355.09	6.72	-68.78
CC[C@@H]1[C@@H](C(=O)N2CCC(COC)(C(=O)[O-])CC2)CC[N@H+]1C	REAL300005140996	1	50	0.0	-71.10	354.68	7.55	-63.55
COCC1(C(=O)[O-])CCN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)CC1	REAL300005140999	1	51	0.0	-80.11	371.81	6.63	-73.48
COCC1(C(=O)[O-])CCN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)CC1	REAL300005140999	1	51	0.0	-79.51	374.21	6.68	-72.83
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005141000	0	46	0.0	-68.72	342.62	6.82	-61.90
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005141000	1	46	0.0	-67.17	348.76	8.04	-59.13
COCC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](C)CC(C)O2)CC1	REAL300005141008	1	48	0.0	-84.26	344.96	5.66	-78.60
COCC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](C)CC(C)O2)CC1	REAL300005141008	1	48	0.0	-81.49	343.57	6.78	-74.71
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300005141014	0	57	0.0	-75.78	414.29	11.07	-64.71
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300005141014	1	57	0.0	-75.14	423.13	10.99	-64.15
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300005141015	1	53	0.0	-65.54	393.81	8.57	-56.97
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300005141015	1	53	0.0	-65.68	388.50	8.08	-57.60
COCC1(C(=O)[O-])CCN(C(=O)C(C)C[NH+]2CCOCC2)CC1	REAL300005141020	0	51	0.0	-74.42	368.68	5.67	-68.75
COCC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1	REAL300005141021	0	58	0.0	-78.25	427.99	7.87	-70.38
COCC1(C(=O)[O-])CCN(C(=O)C[NH+]2CCC(C)CC2)CC1	REAL300005141031	0	50	0.0	-70.56	359.62	8.18	-62.38
CC[N@@H+]1CCOC(C(=O)N2CCC(COC)(C(=O)[O-])CC2)C1	REAL300005141046	1	48	0.0	-79.68	348.14	5.96	-73.72
CC[N@H+]1CCOC(C(=O)N2CCC(COC)(C(=O)[O-])CC2)C1	REAL300005141046	1	48	0.0	-76.11	341.22	5.78	-70.33
COCC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300005141086	0	57	0.0	-69.32	398.40	9.50	-59.82
COCC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300005141086	1	57	0.0	-74.59	401.07	9.56	-65.03
COCC1(C(=O)[O-])CCN(C(=O)CCC2CCC[N@@H+]2C)CC1	REAL300005141093	0	50	0.0	-75.66	361.21	7.45	-68.21
COCC1(C(=O)[O-])CCN(C(=O)CCC2CCC[N@H+]2C)CC1	REAL300005141093	1	50	0.0	-72.42	364.70	8.26	-64.16
COCC1(C(=O)[O-])CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300005141105	0	51	0.0	-75.04	344.81	7.52	-67.52
COCC1(C(=O)[O-])CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1	REAL300005141109	0	48	0.0	-68.01	335.91	2.91	-65.10
COCC1(C(=O)[O-])CCN(C(=O)C2(C)CC(O)C[N@H+]2C)CC1	REAL300005141109	1	48	0.0	-74.09	336.99	3.60	-70.49
COCC1(C(=O)[O-])CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300005141110	0	51	0.0	-64.35	356.96	7.55	-56.80
COCC1(C(=O)[O-])CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300005141110	1	51	0.0	-64.08	361.67	8.47	-55.61
COCC1(C(=O)[O-])CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1	REAL300005141118	0	54	0.0	-74.53	371.93	5.71	-68.82
COCC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)CC1	REAL300005141123	0	57	0.0	-75.51	407.69	8.31	-67.20
COCC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)CC1	REAL300005141123	1	57	0.0	-86.65	422.90	7.84	-78.81
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)CC1	REAL300005141127	0	59	0.0	-78.75	432.90	8.43	-70.32
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)CC1	REAL300005141128	0	59	0.0	-80.31	431.68	8.39	-71.92
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)CC1	REAL300005141128	1	59	0.0	-83.38	431.15	8.27	-75.11
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(COC)(C(=O)[O-])CC2)C=C1	REAL300005141129	0	60	0.0	-80.84	438.25	10.07	-70.77
COCC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1	REAL300005141137	0	53	0.0	-71.10	371.00	8.34	-62.76
COCC1(C(=O)[O-])CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300005141224	0	48	0.0	-73.85	330.19	6.70	-67.15
COCC1(C(=O)[O-])CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300005141224	1	48	0.0	-72.88	330.69	5.97	-66.91
COCC1(C(=O)[O-])CCN(C(=O)C[NH+]2C(C)CCC2C)CC1	REAL300005141277	0	50	0.0	-66.57	353.37	7.81	-58.76
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)CC1	REAL300005141278	0	50	0.0	-77.15	373.55	8.84	-68.31
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005141279	0	57	0.0	-69.97	408.77	10.94	-59.03
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005141279	1	57	0.0	-68.02	408.87	11.06	-56.96
C#CC[NH+]1CCC(C(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300005141350	0	49	0.0	-76.12	365.50	8.58	-67.54
CCC[N@@H+]1CCCCC1C(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005141352	0	53	0.0	-64.11	377.21	8.72	-55.39
CCC[N@H+]1CCCCC1C(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005141352	1	53	0.0	-66.18	377.12	8.05	-58.13
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2C[NH+](C)C)CC1	REAL300005141353	0	50	0.0	-72.23	372.72	8.28	-63.95
CC[NH+]1CCN(CCC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300005141355	0	55	0.0	-73.08	394.34	6.50	-66.58
CCN1CC[NH+](CCC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300005141355	1	55	0.0	-73.72	394.84	6.53	-67.19
COCC1(C(=O)[O-])CCN(C(=O)C(C(C)C)[NH+]2CCCCC2)CC1	REAL300005141357	0	56	0.0	-62.51	380.40	9.26	-53.25
COCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)CC1	REAL300005141358	1	50	0.0	-63.07	364.40	9.02	-54.05
COCC1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005141362	0	55	0.0	-74.37	409.01	6.42	-67.95
COCC1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005141362	1	55	0.0	-68.13	407.25	7.20	-60.93
COCC1(C(=O)[O-])CCN(C(=O)CCN2C=C[NH+]=C2C(C)C)CC1	REAL300005141368	1	51	0.0	-66.49	382.18	8.89	-57.60
COCC1(C(=O)[O-])CCN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)CC1	REAL300005141369	0	53	0.0	-70.19	393.22	8.83	-61.36
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300005141374	0	54	0.0	-67.65	364.25	9.23	-58.42
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300005141374	1	54	0.0	-70.05	372.89	9.18	-60.87
COCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC1	REAL300005141403	1	55	0.0	-66.35	410.16	9.94	-56.41
COCC1(C(=O)[O-])CCN(C(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)CC1	REAL300005141404	1	60	0.0	-63.31	414.32	8.30	-55.01
COCC1(C(=O)[O-])CCN(C(=O)C(C)[NH+]2CCCCCC2)CC1	REAL300005141405	0	53	0.0	-65.26	360.68	8.18	-57.08
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)CC1	REAL300005141443	1	55	0.0	-86.41	409.36	9.42	-76.99
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)CC1	REAL300005141443	1	55	0.0	-80.03	411.18	8.66	-71.37
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(COC)(C(=O)[O-])CC2)O1	REAL300005141496	0	53	0.0	-76.42	394.77	8.28	-68.14
COCC1(C(=O)[O-])CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300005141497	0	53	0.0	-74.51	388.05	8.38	-66.13
COCC1(C(=O)[O-])CCN(C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)CC1	REAL300005141499	1	56	0.0	-70.55	409.85	8.80	-61.75
COCC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300005141500	1	50	0.0	-74.34	372.94	9.41	-64.93
COCC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300005141500	1	50	0.0	-73.99	372.89	9.41	-64.58
COCC1(C(=O)[O-])CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	REAL300005141511	0	49	0.0	-65.80	333.99	6.62	-59.18
COCC1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300005141524	1	45	0.0	-78.70	354.88	6.22	-72.48
COCC1(C(=O)[O-])CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)CC1	REAL300005141555	1	46	0.0	-82.40	351.93	6.99	-75.41
COCC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)CC1	REAL300005141559	0	57	0.0	-75.82	416.27	10.72	-65.10
COCC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)CC1	REAL300005141559	1	57	0.0	-74.75	414.73	10.77	-63.98
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2C(C)C)CC1	REAL300005141576	0	50	0.0	-67.78	346.57	7.89	-59.89
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2C(C)C)CC1	REAL300005141576	1	50	0.0	-64.45	343.01	8.03	-56.42
COCC1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)CC1	REAL300005141583	0	58	0.0	-78.78	438.03	10.20	-68.58
COCC1(C(=O)[O-])CCN(C(=O)COC2CC[NH+](C)CC2)CC1	REAL300005141603	0	51	0.0	-79.26	377.38	7.23	-72.03
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300005141608	0	54	0.0	-78.79	398.95	9.32	-69.47
COCC1(C(=O)[O-])CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CC1	REAL300005141653	0	56	0.0	-79.98	409.31	8.20	-71.78
COCC1(C(=O)[O-])CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CC1	REAL300005141653	1	56	0.0	-63.33	405.35	8.03	-55.30
CCC[N@@H+]1CCCC(C(=O)N2CCC(COC)(C(=O)[O-])CC2)C1	REAL300005141803	0	53	0.0	-67.63	370.51	8.81	-58.82
CCC[N@H+]1CCCC(C(=O)N2CCC(COC)(C(=O)[O-])CC2)C1	REAL300005141803	1	53	0.0	-70.94	380.90	8.67	-62.27
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC(C)C)CC1	REAL300005141836	0	53	0.0	-66.93	362.57	8.63	-58.30
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC(C)C)CC1	REAL300005141836	1	53	0.0	-68.38	379.60	8.86	-59.52
COCC1(C(=O)[O-])CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300005141837	0	51	0.0	-71.84	370.45	4.86	-66.98
COCC1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300005141940	0	58	0.0	-78.99	420.07	11.03	-67.96
COCC1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300005141940	1	58	0.0	-79.95	421.15	11.01	-68.94
COCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300005141982	1	57	0.0	-72.47	420.88	10.27	-62.20
COCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300005141982	1	57	0.0	-75.72	413.04	10.58	-65.14
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](C(C)C)C2)CC1	REAL300005142075	0	53	0.0	-66.49	366.70	8.51	-57.98
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](C(C)C)C2)CC1	REAL300005142075	1	53	0.0	-69.17	376.05	8.45	-60.72
COCC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)CC1	REAL300005142076	0	47	0.0	-86.61	345.29	7.00	-79.61
COCC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)CC1	REAL300005142076	1	47	0.0	-82.57	349.82	7.03	-75.54
COCC1(C(=O)[O-])CCN(C(=O)CCC2=[NH+]C(C)=C(C)N2)CC1	REAL300005142100	1	48	0.0	-67.13	366.47	7.15	-59.98
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)CC1	REAL300005142598	0	53	0.0	-78.60	396.05	9.68	-68.92
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)CC1	REAL300005142606	0	54	0.0	-82.15	402.76	8.75	-73.40
COCC1(C(=O)[O-])CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300005142706	0	60	0.0	-76.05	435.92	11.81	-64.24
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)CC1	REAL300005142708	0	58	0.0	-83.41	427.64	9.20	-74.21
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)CC1	REAL300005142708	1	58	0.0	-84.02	429.40	9.10	-74.92
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)CC1	REAL300005142708	1	58	0.0	-84.02	429.40	9.10	-74.92
COCC1(C(=O)[O-])CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC1	REAL300005142754	0	53	0.0	-72.10	365.35	8.16	-63.94
COCC1(C(=O)[O-])CCN(C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)CC1	REAL300005142758	0	45	0.0	-73.48	353.62	8.22	-65.26
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC(C)C)C2)CC1	REAL300005142822	0	56	0.0	-71.39	393.78	9.31	-62.08
COCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC(C)C)C2)CC1	REAL300005142822	1	56	0.0	-74.55	388.04	9.33	-65.22
CC[N@@H+]1CCCC(C(=O)N2CCC(COC)(C(=O)[O-])CC2)C1	REAL300005142823	0	50	0.0	-72.22	359.11	7.26	-64.96
CC[N@H+]1CCCC(C(=O)N2CCC(COC)(C(=O)[O-])CC2)C1	REAL300005142823	1	50	0.0	-68.76	359.10	7.26	-61.50
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)CC1	REAL300005142829	1	47	0.0	-81.02	358.41	7.56	-73.46
COCC1(C(=O)[O-])CCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CC1	REAL300005142834	0	56	0.0	-77.92	370.26	7.83	-70.09
COCC1(C(=O)[O-])CCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CC1	REAL300005142834	1	56	0.0	-73.34	380.53	7.57	-65.77
COCC1(C(=O)[O-])CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300005142837	1	49	0.0	-67.32	351.59	8.00	-59.32
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Cl)C=C2Br)C1	REAL300005142914	1	40	0.0	-47.75	345.70	8.41	-39.34
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3CCC32C2=CC=CS2)C1	REAL300005143055	0	48	0.0	-43.71	358.60	9.92	-33.79
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3CCC32C2=CC=CS2)C1	REAL300005143055	1	48	0.0	-47.96	367.72	10.49	-37.47
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=NC=C(Br)N3C2)C1	REAL300005143171	0	44	0.0	-54.64	353.09	7.51	-47.13
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=NC=C(Br)N3C2)C1	REAL300005143171	1	44	0.0	-52.78	352.24	7.06	-45.72
O=C([O-])C1=CC=C2CCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C2=C1	REAL300005144531	0	51	0.0	-97.69	394.47	12.78	-84.91
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C2=C1	REAL300005145266	0	48	0.0	-80.42	369.99	11.72	-68.70
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C2=C1	REAL300005145266	1	48	0.0	-80.30	369.94	11.71	-68.59
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=C(Cl)C=C3)C2=C1	REAL300005146117	1	48	0.0	-82.62	386.73	12.24	-70.38
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=C(Cl)C=C3)C2=C1	REAL300005146117	1	48	0.0	-86.06	388.17	12.56	-73.50
O=C([O-])C1=CC=C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)C2=C1	REAL300005146197	0	45	0.0	-89.65	342.83	10.42	-79.23
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)C2=C1	REAL300005146228	0	42	0.0	-85.36	324.58	9.59	-75.77
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC[N@H+]3C3CC3)C2=C1	REAL300005146228	1	42	0.0	-78.36	320.67	9.79	-68.57
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C43)CN12	REAL300005146234	1	43	0.0	-81.42	342.04	10.29	-71.13
O=C([O-])C1=CC=C2CCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C2=C1	REAL300005146235	0	51	0.0	-82.61	390.77	12.45	-70.16
CC1=NC(C[NH+]2CCC(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C43)CC2)=CS1	REAL300005146311	1	50	0.0	-96.49	401.49	10.48	-86.01
CC(C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21)N1CC[NH+](C)CC1	REAL300005146312	1	46	0.0	-88.08	349.32	7.55	-80.53
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300005146397	0	54	0.0	-93.89	427.60	12.45	-81.44
CC1(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005146410	0	54	0.0	-79.36	396.76	12.72	-66.64
O=C([O-])C1=CC=C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2=C1	REAL300005146468	0	36	0.0	-91.12	307.69	11.02	-80.10
C[NH+](C)CC1(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)CCCCC1	REAL300005146499	0	50	0.0	-88.39	347.20	10.85	-77.54
C[N@H+](CCC(=O)N1CCC2=CC=C(C(=O)[O-])C=C21)C1CCCCC1	REAL300005146503	0	50	0.0	-88.97	371.96	11.31	-77.66
C[N@@H+](CCC(=O)N1CCC2=CC=C(C(=O)[O-])C=C21)C1CCCCC1	REAL300005146503	1	50	0.0	-88.97	371.95	11.31	-77.66
O=C([O-])C1=CC=C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=C(F)C=C3)C2=C1	REAL300005146524	1	51	0.0	-85.60	396.05	12.79	-72.81
O=C([O-])C1=CC=C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=C(F)C=C3)C2=C1	REAL300005146524	1	51	0.0	-90.03	388.95	12.54	-77.49
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)C2=C1	REAL300005146525	1	48	0.0	-83.38	376.41	11.79	-71.59
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)C2=C1	REAL300005146525	1	48	0.0	-87.02	377.85	12.11	-74.91
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C2=C1	REAL300005146584	0	44	0.0	-96.44	360.76	9.95	-86.49
O=C([O-])C1=CC=C2CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C2=C1	REAL300005146611	0	51	0.0	-79.93	361.87	11.22	-68.71
O=C([O-])C1=CC=C2CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)C2=C1	REAL300005146611	1	51	0.0	-78.06	368.29	11.40	-66.66
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C2=C1	REAL300005146612	0	52	0.0	-96.62	385.07	9.82	-86.80
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300005146645	1	42	0.0	-84.71	344.51	10.61	-74.10
O=C([O-])C1=CC=C2CCN(C(=O)CCCC[NH+]3CCOCC3)C2=C1	REAL300005146646	1	48	0.0	-92.41	371.80	9.29	-83.12
CC[N@H+](CC1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1)C(C)C	REAL300005146648	0	53	0.0	-99.17	393.53	12.26	-86.91
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1)C(C)C	REAL300005146648	1	53	0.0	-98.58	384.46	11.80	-86.78
O=C([O-])C1=CC=C2CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005146672	0	48	0.0	-87.58	372.49	11.91	-75.67
O=C([O-])C1=CC=C2CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005146672	1	48	0.0	-88.41	373.71	11.99	-76.42
O=C([O-])C1=CC=C2CCN(C(=O)C3CC[NH+](C4CCSC4)CC3)C2=C1	REAL300005146673	0	49	0.0	-95.93	373.20	11.19	-84.74
C[NH+]1CCN(C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C2=CC=CC=C2)CC1	REAL300005146701	1	53	0.0	-85.83	406.55	10.62	-75.21
O=C([O-])C1=CC=C2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2=C1	REAL300005146702	0	52	0.0	-89.29	370.33	9.54	-79.75
CCC(C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21)[NH+](CC)CC	REAL300005146706	0	46	0.0	-83.66	334.54	10.06	-73.60
CC(C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21)[N@H+](C)CC1=CC=CC=C1	REAL300005146708	0	47	0.0	-86.04	366.09	11.58	-74.46
CC(C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21)[N@@H+](C)CC1=CC=CC=C1	REAL300005146708	1	47	0.0	-85.58	363.95	11.56	-74.02
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)C2=C1	REAL300005146719	0	54	0.0	-84.03	408.18	13.64	-70.39
O=C([O-])C1=CC=C2CCN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)C2=C1	REAL300005146719	1	54	0.0	-92.44	416.95	13.62	-78.82
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300005146745	0	43	0.0	-100.80	341.31	9.20	-91.60
CCC[NH+](CCC)CCCC(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300005146755	0	52	0.0	-87.72	396.09	11.92	-75.80
O=C([O-])C1=CC=C2CCN(C(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)C2=C1	REAL300005146756	1	52	0.0	-83.25	398.05	9.42	-73.83
CC[N@H+](C)C(C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21)C1=CC=CC=C1	REAL300005146757	1	47	0.0	-78.09	361.51	11.55	-66.54
CC[N@@H+](C)C(C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21)C1=CC=CC=C1	REAL300005146757	1	47	0.0	-82.08	357.92	11.57	-70.51
CC[NH+](CC)C(C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21)C1=CC=CC=C1	REAL300005146762	0	50	0.0	-83.02	370.77	12.04	-70.98
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CCCN(C(=O)C1=CC=C(C(=O)[O-])N=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005158982	0	55	0.0	-78.07	418.06	11.62	-66.45
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CCCN(C(=O)C1=CN=C(C(=O)[O-])C=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005158986	0	54	0.0	-71.60	413.85	11.12	-60.48
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CCCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005158993	0	59	0.0	-74.59	425.59	13.03	-61.56
CCCN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005158994	0	59	0.0	-70.36	444.52	14.15	-56.21
CCCN(C(=O)C1=C(CC(=O)[O-])OC=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005158995	0	56	0.0	-68.20	427.85	12.54	-55.66
CCCN(C(=O)C1=C(CC(=O)[O-])OC=C1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005158996	0	59	0.0	-59.59	444.20	12.99	-46.60
CCCN(C(=O)C1=CC(C(=O)[O-])=CC=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005158997	0	55	0.0	-72.02	418.45	13.01	-59.01
CCCN(C(=O)CC(C)(C)CC(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005158998	0	61	0.0	-70.18	434.36	13.25	-56.93
CCCN(C(=O)CCCC(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005158999	0	55	0.0	-71.99	412.01	12.42	-59.57
CCCN(C(=O)CC(C)CC(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159000	0	58	0.0	-71.16	424.58	12.87	-58.29
CCCN(C(=O)C1=NOC(C(=O)[O-])=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159001	0	52	0.0	-67.67	402.61	11.76	-55.91
CCCN(C(=O)C1=C(C)OC(C(=O)[O-])=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159002	0	56	0.0	-73.41	431.51	12.76	-60.65
CCCN(C(=O)C1=CC(C)=C(C(=O)[O-])O1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159003	0	56	0.0	-70.53	425.46	12.87	-57.66
CCCN(C(=O)CN1C=C(C(=O)[O-])C=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159004	0	56	0.0	-77.59	431.91	11.90	-65.69
CCCN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159005	0	57	0.0	-72.33	436.42	13.35	-58.98
CCCN(C(=O)CCSCC(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159006	0	56	0.0	-70.75	435.04	13.00	-57.75
CCCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159007	0	55	0.0	-69.05	418.20	12.99	-56.06
CCCN(C(=O)COCC(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159008	0	53	0.0	-74.28	404.10	11.55	-62.73
CCCN(C(=O)C1=CC(C(=O)[O-])=NN1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159009	0	56	0.0	-79.85	418.26	11.01	-68.84
CCCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159010	0	60	0.0	-77.65	440.21	12.92	-64.73
CCCN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159011	0	59	0.0	-78.39	432.95	13.90	-64.49
CCCN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159012	0	57	0.0	-74.23	445.24	13.30	-60.93
CCCN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159013	0	57	0.0	-74.33	446.83	13.68	-60.65
CCCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159014	0	59	0.0	-74.59	425.59	13.03	-61.56
CCCN(C(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159015	0	59	0.0	-76.57	439.07	13.92	-62.65
CCCN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159016	0	55	0.0	-69.06	416.33	11.58	-57.48
CCCN(C(=O)C1=CC(C(=O)[O-])=CN=C1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159017	0	58	0.0	-70.76	439.84	12.38	-58.38
CCCN(C(=O)CN1C=CC(C(=O)[O-])=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159018	0	56	0.0	-86.25	431.25	11.93	-74.32
CCCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159019	0	56	0.0	-75.60	405.64	12.97	-62.63
CCCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159020	0	56	0.0	-75.60	405.64	12.97	-62.63
CCCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159021	0	53	0.0	-80.47	391.79	12.44	-68.03
CCCN(C(=O)C1=C(C)C=C(C(=O)[O-])O1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159022	0	56	0.0	-71.36	425.34	12.97	-58.39
CCCN(C(=O)C(CC)C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159023	0	55	0.0	-69.11	406.48	12.06	-57.05
CCCN(C(=O)C(C(=O)[O-])C(C)C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159024	0	58	0.0	-70.15	424.20	12.55	-57.60
CCCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159025	0	62	0.0	-83.65	435.28	13.99	-69.66
CCCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159026	0	53	0.0	-76.70	398.93	12.01	-64.69
CCCN(C(=O)C1CC2(CC2C(=O)[O-])C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159027	0	60	0.0	-78.06	438.85	13.68	-64.38
CCCN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159028	0	56	0.0	-73.01	415.48	12.73	-60.28
CCCN(C(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159029	0	62	0.0	-82.16	453.63	14.36	-67.80
CCCN(C(=O)C1=CC(C(=O)[O-])=CC=C1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159030	0	59	0.0	-72.73	446.56	14.15	-58.58
CCCN(C(=O)C1CC(C)(C(=O)[O-])C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159031	0	59	0.0	-74.32	429.92	12.86	-61.46
CCCN(C(=O)C1=CC(C(=O)[O-])=NN1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159032	0	53	0.0	-81.26	400.66	10.47	-70.79
CCCN(C(=O)C1=CN=CC(C(=O)[O-])=C1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159033	0	58	0.0	-74.11	435.54	12.16	-61.95
CCCC(C(=O)[O-])C(=O)N(CCC)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159034	0	58	0.0	-67.91	428.36	12.86	-55.05
CCCN(C(=O)C1=CC=C(C(=O)[O-])C=C1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159035	0	59	0.0	-77.36	446.03	14.15	-63.21
CCCN(C(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159036	0	63	0.0	-79.54	458.96	14.21	-65.33
CCCN(C(=O)C1=CC=C(C(=O)[O-])N1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159037	0	57	0.0	-74.62	421.06	12.61	-62.01
CCCN(C(=O)CC1(CC(=O)[O-])CC1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159038	0	59	0.0	-68.71	436.36	13.54	-55.17
CCCN(C(=O)C1=CSC(C(=O)[O-])=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159039	0	52	0.0	-64.30	405.69	11.71	-52.59
CCCN(C(=O)C(OC)C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159040	0	53	0.0	-63.03	398.16	11.12	-51.91
CCCN(C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159041	0	56	0.0	-77.88	409.61	12.40	-65.48
CCCN(C(=O)C(C)C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159042	0	52	0.0	-69.54	384.65	12.09	-57.45
CCCN(C(=O)C1=CC=CC(C(=O)[O-])=C1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159043	0	59	0.0	-76.63	439.72	14.08	-62.55
CCCN(C(=O)C1=CC(C(=O)[O-])=CS1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159044	0	53	0.0	-82.70	408.48	12.04	-70.66
CCCN(C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159045	0	62	0.0	-66.65	439.79	13.00	-53.65
CCCN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005159046	0	59	0.0	-69.13	429.24	13.03	-56.10
CCN1CCC2=CC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300005159125	0	52	0.0	-47.70	389.01	7.90	-39.80
CCN1CCC2=CC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300005159125	1	52	0.0	-49.06	395.20	7.93	-41.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CCOCC3)CC2)C1	REAL300005159244	0	49	0.0	-44.24	364.29	6.82	-37.42
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CCOCC3)CC2)C1	REAL300005159244	1	49	0.0	-47.70	368.23	7.30	-40.40
CC1CC2=CC(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300005159364	0	51	0.0	-52.51	389.00	8.78	-43.73
CC1CC2=CC(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300005159364	1	51	0.0	-49.36	386.90	8.32	-41.04
COCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCO1	REAL300005159486	0	51	0.0	-52.23	366.75	5.49	-46.74
COCC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCO1	REAL300005159486	1	51	0.0	-45.37	373.27	6.26	-39.11
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OC3=CC(F)=CC(F)=C3)C2)C1	REAL300005159606	0	48	0.0	-50.80	381.55	9.37	-41.43
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OC3=CC(F)=CC(F)=C3)C2)C1	REAL300005159606	1	48	0.0	-50.30	374.80	9.33	-40.97
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(C2)COCCO3)C1	REAL300005159696	0	46	0.0	-50.78	335.59	5.75	-45.03
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(C2)COCCO3)C1	REAL300005159696	1	46	0.0	-48.31	342.26	5.60	-42.71
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@H](O)C2=CC=C3OCCOC3=C2)C1	REAL300005159830	0	50	0.0	-52.81	383.94	4.24	-48.57
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@H](O)C2=CC=C3OCCOC3=C2)C1	REAL300005159830	1	50	0.0	-53.57	390.16	4.26	-49.31
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(C1CC1)C1COCCO1	REAL300005159949	0	49	0.0	-50.92	366.73	6.10	-44.82
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(C1CC1)C1COCCO1	REAL300005159949	1	49	0.0	-47.86	359.80	5.66	-42.20
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@@H]3CC(CO)C[C@H]23)C1	REAL300005160033	0	48	0.0	-47.08	347.30	4.83	-42.25
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@@H]3CC(CO)C[C@H]23)C1	REAL300005160033	1	48	0.0	-49.28	347.85	5.80	-43.48
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C3COCCC3=C2)C1	REAL300005160166	0	48	0.0	-49.99	370.41	7.51	-42.48
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C3COCCC3=C2)C1	REAL300005160166	1	48	0.0	-48.58	364.21	7.49	-41.09
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC(F)F)=C1	REAL300005160279	1	44	0.0	-48.72	343.66	7.25	-41.47
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC(F)F)=C1	REAL300005160279	1	44	0.0	-50.14	343.63	7.70	-42.44
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC(C2=CC=CC=C2)O1	REAL300005160519	0	54	0.0	-49.43	398.85	10.44	-38.99
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC(C2=CC=CC=C2)O1	REAL300005160519	1	54	0.0	-46.56	392.02	10.04	-36.52
CC1=CC=CN=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005160629	0	45	0.0	-45.08	341.30	6.59	-38.49
CC1=CC=CN=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005160629	1	45	0.0	-45.26	342.16	7.05	-38.21
CC1=CC=C(OC(F)F)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005160790	1	44	0.0	-50.80	349.95	7.67	-43.13
CC1=CC=C(OC(F)F)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005160790	1	44	0.0	-50.11	343.65	7.69	-42.42
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(O)CC3CCC2CC3)C1	REAL300005160918	0	51	0.0	-50.21	357.40	5.68	-44.53
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(O)CC3CCC2CC3)C1	REAL300005160918	1	51	0.0	-50.21	363.59	5.70	-44.51
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)C2CCC2)C1	REAL300005161024	0	50	0.0	-46.63	365.12	11.41	-35.22
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)C2CCC2)C1	REAL300005161024	1	50	0.0	-47.14	370.77	11.40	-35.74
CN1C=C(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)C=N1	REAL300005161137	0	47	0.0	-54.58	371.08	8.57	-46.01
CN1C=C(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)C=N1	REAL300005161137	1	47	0.0	-55.75	370.98	8.58	-47.17
C[NH+](C)[C@@H]1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C[C@H]1O	REAL300005161186	0	42	0.0	-60.60	330.53	4.19	-56.41
C[NH+](C)[C@@H]1CN(C(=O)C2=CC=CC=C2SCC2=C(C(=O)[O-])C=CO2)C[C@H]1O	REAL300005161187	0	49	0.0	-86.68	395.26	6.93	-79.75
CC(SC1=CC=CC=C1C(=O)N1C[C@@H](O)[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300005161188	0	45	0.0	-79.52	359.15	5.82	-73.70
CCOC1=CC(C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)=CC=C1OCC(=O)[O-]	REAL300005161189	0	49	0.0	-79.19	382.02	4.88	-74.31
C[NH+](C)[C@@H]1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C[C@H]1O	REAL300005161190	0	44	0.0	-80.70	351.12	5.89	-74.81
C[NH+](C)[C@@H]1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C[C@H]1O	REAL300005161191	0	42	0.0	-78.64	337.74	5.60	-73.04
C[NH+](C)[C@@H]1CN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C[C@H]1O	REAL300005161192	0	46	0.0	-78.89	383.79	0.76	-78.13
C[NH+](C)[C@@H]1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C[C@H]1O	REAL300005161193	0	40	0.0	-76.41	327.11	4.58	-71.83
C[NH+](C)[C@@H]1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C[C@H]1O	REAL300005161194	0	40	0.0	-76.41	327.11	4.58	-71.83
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)C=C1	REAL300005161195	0	48	0.0	-82.80	374.38	5.50	-77.30
C[NH+](C)[C@@H]1CN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C[C@H]1O	REAL300005161196	0	45	0.0	-76.26	356.68	5.04	-71.22
C[NH+](C)[C@@H]1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C[C@H]1O	REAL300005161197	0	44	0.0	-76.54	341.94	5.53	-71.01
CC1=CC(C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300005161198	0	48	0.0	-80.20	376.31	5.78	-74.42
C[NH+](C)[C@@H]1CN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C[C@H]1O	REAL300005161199	0	38	0.0	-62.43	320.69	4.58	-57.85
C[NH+](C)[C@@H]1CN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C[C@H]1O	REAL300005161200	0	48	0.0	-66.74	369.57	7.11	-59.63
C[NH+](C)[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C[C@H]1O	REAL300005161201	0	48	0.0	-75.18	338.63	4.72	-70.46
C[NH+](C)[C@@H]1CN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C[C@H]1O	REAL300005161202	0	40	0.0	-93.19	333.56	3.11	-90.08
C[NH+](C)[C@@H]1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C[C@H]1O	REAL300005161203	0	45	0.0	-86.35	352.28	5.24	-81.11
C[NH+](C)[C@@H]1CN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C[C@H]1O	REAL300005161204	0	51	0.0	-74.09	382.41	7.25	-66.84
C[NH+](C)[C@@H]1CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C[C@H]1O	REAL300005161205	0	42	0.0	-77.59	332.25	4.24	-73.35
C[NH+](C)[C@@H]1CN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C[C@H]1O	REAL300005161206	0	47	0.0	-84.80	371.00	4.86	-79.94
C[NH+](C)[C@@H]1CN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C[C@H]1O	REAL300005161207	0	42	0.0	-79.25	333.34	5.25	-74.00
C[NH+](C)[C@@H]1CN(C(=O)C2=CC=CC=C2CCC(=O)[O-])C[C@H]1O	REAL300005161208	0	44	0.0	-73.37	337.13	5.46	-67.91
C[NH+](C)[C@@H]1CN(C(=O)COCC2=C(C(=O)[O-])N=CO2)C[C@H]1O	REAL300005161209	0	41	0.0	-86.38	337.83	0.19	-86.19
C[NH+](C)[C@@H]1CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C[C@H]1O	REAL300005161210	0	44	0.0	-95.21	354.74	3.94	-91.27
C[NH+](C)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C[C@H]1O	REAL300005161211	0	45	0.0	-83.34	345.63	4.30	-79.04
C[NH+](C)[C@@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C[C@H]1O	REAL300005161212	0	45	0.0	-73.54	346.89	3.27	-70.27
C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C[C@H]1O	REAL300005161213	0	46	0.0	-54.49	323.06	5.70	-48.79
C[NH+](C)[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C[C@H]1O	REAL300005161214	0	45	0.0	-61.58	348.35	6.00	-55.58
C[NH+](C)[C@@H]1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C[C@H]1O	REAL300005161215	0	45	0.0	-86.35	352.28	5.24	-81.11
C[NH+](C)[C@@H]1CN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C[C@H]1O	REAL300005161216	0	45	0.0	-89.63	361.81	6.47	-83.16
C[NH+](C)[C@@H]1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C[C@H]1O	REAL300005161217	0	38	0.0	-76.05	316.84	4.48	-71.57
COC1=CC(C(=O)[O-])=NC(C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)=C1	REAL300005161218	0	41	0.0	-61.03	329.55	2.42	-58.61
C[NH+](C)[C@@H]1CN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C[C@H]1O	REAL300005161219	0	44	0.0	-76.80	344.80	5.53	-71.27
C[NH+](C)[C@@H]1CN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C[C@H]1O	REAL300005161220	0	42	0.0	-69.52	339.06	4.95	-64.57
C[NH+](C)[C@@H]1CN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C[C@H]1O	REAL300005161221	0	38	0.0	-80.78	329.02	4.70	-76.08
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)=C1	REAL300005161222	0	42	0.0	-80.04	342.07	3.66	-76.38
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1C[C@@H](O)[C@H]([NH+](C)C)C1	REAL300005161223	0	41	0.0	-72.71	332.80	4.69	-68.02
C[NH+](C)[C@@H]1CN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C[C@H]1O	REAL300005161224	0	41	0.0	-88.99	333.93	5.24	-83.75
C[NH+](C)[C@@H]1CN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C[C@H]1O	REAL300005161225	0	43	0.0	-78.93	338.65	3.87	-75.06
C[NH+](C)[C@@H]1CN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C[C@H]1O	REAL300005161226	0	42	0.0	-79.42	339.21	5.65	-73.77
C[NH+](C)[C@@H]1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C[C@H]1O	REAL300005161227	0	39	0.0	-57.40	324.52	3.50	-53.90
C[NH+](C)[C@@H]1CN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C[C@H]1O	REAL300005161228	0	39	0.0	-74.35	324.49	3.64	-70.71
C[NH+](C)[C@@H]1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C[C@H]1O	REAL300005161229	0	39	0.0	-68.69	316.48	2.73	-65.96
C[NH+](C)[C@@H]1CN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C[C@H]1O	REAL300005161230	0	41	0.0	-81.98	334.38	3.80	-78.18
C[NH+](C)[C@@H]1CN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C[C@H]1O	REAL300005161231	0	44	0.0	-77.17	338.71	6.02	-71.15
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1C[C@@H](O)[C@H]([NH+](C)C)C1	REAL300005161232	0	44	0.0	-86.23	345.69	5.61	-80.62
C[NH+](C)[C@@H]1CN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C[C@H]1O	REAL300005161233	0	41	0.0	-87.12	332.98	5.08	-82.04
C[NH+](C)[C@@H]1CN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C[C@H]1O	REAL300005161234	0	45	0.0	-73.48	349.53	5.53	-67.95
C[NH+](C)[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C[C@H]1O	REAL300005161235	0	48	0.0	-75.18	338.63	4.72	-70.46
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2C1	REAL300005161333	0	47	0.0	-79.35	347.92	9.33	-70.02
C[NH+](C)C1CCC2CN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)CC2C1	REAL300005161334	0	51	0.0	-67.43	376.12	9.94	-57.49
C[NH+](C)C1CCC2CN(C(=O)C3=CC=CC(C(=O)[O-])=C3)CC2C1	REAL300005161335	0	47	0.0	-90.31	342.56	9.58	-80.73
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C(=O)[O-])S3)CC2C1	REAL300005161336	0	44	0.0	-72.53	342.67	8.67	-63.86
C[NH+](C)C1CCC2CN(C(=O)C3=CC=CC(C(=O)[O-])=N3)CC2C1	REAL300005161337	0	46	0.0	-70.46	347.94	8.53	-61.93
CC(SC1=CC=CC=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1)C(=O)[O-]	REAL300005161338	0	54	0.0	-86.41	407.44	11.22	-75.19
CCOC1=CC(C(=O)N2CC3CCC([NH+](C)C)CC3C2)=CC=C1OCC(=O)[O-]	REAL300005161339	0	58	0.0	-84.08	427.22	10.64	-73.44
C[NH+](C)C1CCC2CN(C(=O)CCC3=CC=C(C(=O)[O-])C=C3)CC2C1	REAL300005161340	0	53	0.0	-81.54	400.05	11.34	-70.20
C[NH+](C)C1CCC2CN(C(=O)C3=CC=NC(C(=O)[O-])=C3)CC2C1	REAL300005161341	0	46	0.0	-74.55	345.20	7.63	-66.92
C[NH+](C)C1CCC2CN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CC2C1	REAL300005161342	0	51	0.0	-81.34	387.76	10.99	-70.35
C[NH+](C)C1CCC2CN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CC2C1	REAL300005161343	0	49	0.0	-67.52	379.28	10.10	-57.42
C[NH+](C)C1CCC2CN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CC2C1	REAL300005161344	0	49	0.0	-67.52	379.28	10.10	-57.42
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC3CCC([NH+](C)C)CC3C2)C=C1	REAL300005161345	0	57	0.0	-82.13	424.73	10.95	-71.18
C[NH+](C)C1CCC2CN(C(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)CC2C1	REAL300005161346	0	54	0.0	-79.49	399.55	10.67	-68.82
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C(=O)[O-])O3)CC2C1	REAL300005161347	0	44	0.0	-70.60	336.63	8.21	-62.39
C[NH+](C)C1CCC2CN(C(=O)CCC3=CC=CC=C3C(=O)[O-])CC2C1	REAL300005161348	0	53	0.0	-79.43	391.10	11.06	-68.37
CC1=CC(C(=O)N2CC3CCC([NH+](C)C)CC3C2)=CC(C)=C1OCC(=O)[O-]	REAL300005161349	0	57	0.0	-79.17	417.87	11.39	-67.78
C[NH+](C)C1CCC2CN(C(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2C1	REAL300005161350	0	50	0.0	-86.22	371.13	10.70	-75.52
C[NH+](C)C1CCC2CN(C(=O)C3CCCC(C(=O)[O-])C3)CC2C1	REAL300005161351	0	53	0.0	-77.26	370.98	10.04	-67.22
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C(=O)[O-])N=C3)CC2C1	REAL300005161352	0	46	0.0	-81.88	344.66	7.59	-74.29
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2C1	REAL300005161353	0	46	0.0	-70.88	347.22	8.54	-62.34
C[NH+](C)C1CCC2CN(C(=O)CC(C)(C)CC(=O)[O-])CC2C1	REAL300005161354	0	52	0.0	-77.81	363.14	9.27	-68.54
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3F)CC2C1	REAL300005161355	0	47	0.0	-77.64	357.69	9.53	-68.11
C[NH+](C)C1CCC2CN(C(=O)C3=CN=C(C(=O)[O-])C=N3)CC2C1	REAL300005161356	0	45	0.0	-71.30	336.65	6.80	-64.50
C[NH+](C)C1CCC2CN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC2C1	REAL300005161357	0	53	0.0	-77.77	373.62	10.15	-67.62
C[NH+](C)C1CCC2CN(C(=O)C3CCC(C(=O)[O-])CC3)CC2C1	REAL300005161358	0	53	0.0	-84.48	367.88	9.65	-74.83
C[NH+](C)C1CCC2CN(C(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2C1	REAL300005161359	0	50	0.0	-88.24	377.95	10.51	-77.73
C[NH+](C)C1CCC2CN(C(=O)CN3C=C(C(=O)[O-])N=N3)CC2C1	REAL300005161360	0	46	0.0	-90.29	355.13	6.46	-83.83
CC1=NC(C(=O)N2CC3CCC([NH+](C)C)CC3C2)=CC=C1C(=O)[O-]	REAL300005161361	0	49	0.0	-71.74	364.03	8.96	-62.78
C[NH+](C)C1CCC2CN(C(=O)C3=CC(Br)=CC(C(=O)[O-])=C3)CC2C1	REAL300005161362	0	47	0.0	-81.42	370.99	9.98	-71.44
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2C1	REAL300005161363	0	47	0.0	-79.35	347.92	9.33	-70.02
C[NH+](C)C1CCC2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2C1	REAL300005161364	0	50	0.0	-85.05	358.38	9.23	-75.82
C[NH+](C)C1CCC2CN(C(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2C1	REAL300005161365	0	50	0.0	-84.80	371.57	10.15	-74.65
C[NH+](C)C1CCC2CN(C(=O)C3=CC=CC=C3C3=CC=CC=C3C(=O)[O-])CC2C1	REAL300005161366	0	57	0.0	-87.62	410.74	13.83	-73.79
C[NH+](C)C1CCC2CN(C(=O)C3=C(CC(=O)[O-])OC=C3)CC2C1	REAL300005161367	0	47	0.0	-85.74	350.09	8.38	-77.36
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161368	0	50	0.0	-85.76	376.19	9.53	-76.23
C[NH+](C)C1CCC2CN(C(=O)C3=CC(C(=O)[O-])=CC=N3)CC2C1	REAL300005161369	0	46	0.0	-80.63	348.04	8.49	-72.14
C[NH+](C)C1CCC2CN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2C1	REAL300005161370	0	48	0.0	-77.02	353.23	9.23	-67.79
C[NH+](C)C1CCC2CN(C(=O)CC3CCC(C(=O)[O-])CC3)CC2C1	REAL300005161371	0	56	0.0	-72.14	382.94	10.70	-61.44
C[NH+](C)C1CCC2CN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)CC2C1	REAL300005161372	0	54	0.0	-88.18	372.51	10.03	-78.15
C[NH+](C)C1CCC2CN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2C1	REAL300005161373	0	57	0.0	-77.95	380.15	10.34	-67.61
C[NH+](C)C1CCC2CN(C(=O)CC(C)(C)CC(=O)[O-])CC2C1	REAL300005161374	0	52	0.0	-77.81	363.14	9.27	-68.54
C[NH+](C)C1CCC2CN(C(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)CC2C1	REAL300005161375	0	49	0.0	-93.25	382.16	8.56	-84.69
C[NH+](C)C1CCC2CN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2C1	REAL300005161376	0	54	0.0	-91.38	400.64	10.62	-80.76
C[NH+](C)C1CCC2CN(C(=O)C3=NOC(C(=O)[O-])=C3)CC2C1	REAL300005161377	0	43	0.0	-70.82	332.01	7.52	-63.30
C[NH+](C)C1CCC2CN(C(=O)C3(C(=O)[O-])CCCC3)CC2C1	REAL300005161378	0	50	0.0	-72.03	341.67	9.15	-62.88
C[NH+](C)C1CCC2CN(C(=O)CC3CCCC4=CC=C(C(=O)[O-])C=C43)CC2C1	REAL300005161379	0	60	0.0	-78.90	432.91	12.74	-66.16
CC1=C(C(=O)N2CC3CCC([NH+](C)C)CC3C2)C=C(C(=O)[O-])O1	REAL300005161380	0	47	0.0	-71.35	344.18	8.78	-62.57
CC1=C(C(=O)[O-])OC(C(=O)N2CC3CCC([NH+](C)C)CC3C2)=C1	REAL300005161381	0	47	0.0	-71.09	354.55	8.79	-62.30
C[NH+](C)C1CCC2CN(C(=O)CN3C=C(C(=O)[O-])C=N3)CC2C1	REAL300005161382	0	47	0.0	-86.71	360.01	7.94	-78.77
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C=CC(=O)[O-])O3)CC2C1	REAL300005161383	0	48	0.0	-71.99	370.56	9.39	-62.60
C[NH+](C)C1CCC2CN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2C1	REAL300005161384	0	54	0.0	-72.29	382.16	10.09	-62.20
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)CC2C1	REAL300005161385	0	51	0.0	-79.75	378.92	9.61	-70.14
C[NH+](C)C1CCC2CN(C(=O)C3CC(C(=O)[O-])=NN3C3=CC=CC=C3)CC2C1	REAL300005161386	0	56	0.0	-89.03	414.15	10.53	-78.50
C[NH+](C)C1CCC2CN(C(=O)CCSCC(=O)[O-])CC2C1	REAL300005161387	0	47	0.0	-75.88	363.82	9.04	-66.84
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2C1	REAL300005161388	0	46	0.0	-70.88	347.22	8.54	-62.34
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161389	0	47	0.0	-75.94	343.59	7.36	-68.58
C[C@@H]1C[C@H](C(=O)N2CC3CCC([NH+](C)C)CC3C2)O[C@H]1C(=O)[O-]	REAL300005161390	0	51	0.0	-86.17	371.48	9.20	-76.97
C[NH+](C)C1CCC2CN(C(=O)C(C)(C)CCC(=O)[O-])CC2C1	REAL300005161391	0	52	0.0	-87.81	360.87	8.80	-79.01
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2C1	REAL300005161392	0	50	0.0	-78.10	370.11	10.11	-67.99
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C=CC(=O)[O-])C=C3)CC2C1	REAL300005161393	0	51	0.0	-80.39	380.00	10.62	-69.77
C[NH+](C)C1CCC2CN(C(=O)C=CC3=CC(C(=O)[O-])=CO3)CC2C1	REAL300005161394	0	48	0.0	-78.96	371.30	9.23	-69.73
C[NH+](C)C1CCC2CN(C(=O)C3=CC=CC=C3CCC(=O)[O-])CC2C1	REAL300005161395	0	53	0.0	-82.34	390.36	10.89	-71.45
C[NH+](C)C1CCC2CN(C(=O)COCC3=C(C(=O)[O-])N=CO3)CC2C1	REAL300005161396	0	50	0.0	-90.10	386.76	5.63	-84.47
C[NH+](C)C1CCC2CN(C(=O)C=CC3=CC=C(C(=O)[O-])O3)CC2C1	REAL300005161397	0	48	0.0	-75.41	372.91	9.59	-65.82
C[NH+](C)C1CCC2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2C1	REAL300005161398	0	50	0.0	-85.05	358.38	9.23	-75.82
CC1=CC=C(C(=O)N2CC3CCC([NH+](C)C)CC3C2)C=C1C(=O)[O-]	REAL300005161399	0	50	0.0	-88.02	360.43	10.18	-77.84
C[NH+](C)C1CCC2CN(C(=O)C3=CN=CC(C(=O)[O-])=C3)CC2C1	REAL300005161400	0	46	0.0	-65.48	336.25	7.76	-57.72
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161401	0	49	0.0	-66.00	358.56	8.47	-57.53
C[NH+](C)C1CCC2CN(C(=O)CN3C=CC(C(=O)[O-])=N3)CC2C1	REAL300005161402	0	47	0.0	-98.78	359.35	7.97	-90.81
C[NH+](C)C1CCC2CN(C(=O)CCCN3C=CC(C(=O)[O-])=N3)CC2C1	REAL300005161403	0	53	0.0	-97.60	403.68	9.39	-88.21
C[NH+](C)C1CCC2CN(C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)CC2C1	REAL300005161404	0	54	0.0	-87.44	392.59	9.61	-77.83
C[NH+](C)C1CCC2CN(C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)CC2C1	REAL300005161405	0	54	0.0	-79.37	396.87	8.66	-70.71
CC1=C(C(=O)N2CC3CCC([NH+](C)C)CC3C2)OC(C(=O)[O-])=C1	REAL300005161406	0	47	0.0	-71.67	355.26	8.86	-62.81
C[NH+](C)C1CCC2CN(C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])CC2C1	REAL300005161407	0	55	0.0	-73.45	370.28	11.35	-62.10
C[NH+](C)C1CCC2CN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2C1	REAL300005161408	0	53	0.0	-84.82	366.45	9.91	-74.91
C[NH+](C)C1CCC2CN(C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)CC2C1	REAL300005161410	0	54	0.0	-70.42	391.15	11.39	-59.03
C[NH+](C)C1CCC2CN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2C1	REAL300005161411	0	54	0.0	-91.38	400.64	10.62	-80.76
C[NH+](C)C1CCC2CN(C(=O)CN3C=C(C(=O)[O-])C4=CC=CC=C43)CC2C1	REAL300005161412	0	54	0.0	-97.21	411.30	11.93	-85.28
C[NH+](C)C1CCC2CN(C(=O)C3CC4(CC4C(=O)[O-])C3)CC2C1	REAL300005161413	0	51	0.0	-86.83	368.44	10.37	-76.46
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161414	0	53	0.0	-90.14	384.47	10.59	-79.55
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161415	0	50	0.0	-73.00	370.42	10.08	-62.92
C[NH+](C)C1CCC2CN(C(=O)C3CC(C)(C(=O)[O-])C3)CC2C1	REAL300005161416	0	50	0.0	-73.33	363.05	9.24	-64.09
C[NH+](C)C1CCC2CN(C(=O)C3=C(C(=O)[O-])SC=C3)CC2C1	REAL300005161417	0	44	0.0	-87.60	339.98	9.48	-78.12
C[NH+](C)C1CCC2CN(C(=O)C3=CC(C(=O)[O-])=NN3)CC2C1	REAL300005161418	0	44	0.0	-81.42	325.75	6.41	-75.01
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161419	0	49	0.0	-76.46	359.60	8.13	-68.33
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161420	0	50	0.0	-78.08	370.26	10.09	-67.99
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3Cl)CC2C1	REAL300005161421	0	47	0.0	-76.33	366.31	9.95	-66.38
C[NH+](C)C1CCC2CN(C(=O)C3CC4(CC(C(=O)[O-])C4)C3)CC2C1	REAL300005161422	0	54	0.0	-78.75	388.28	10.88	-67.87
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC3CCC([NH+](C)C)CC3C2)=C1	REAL300005161423	0	50	0.0	-69.67	378.30	7.78	-61.89
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161424	0	48	0.0	-79.95	350.42	8.65	-71.30
C[NH+](C)C1CCC2CN(C(=O)C3(C(=O)[O-])CC=CC3)CC2C1	REAL300005161425	0	48	0.0	-73.21	341.15	8.85	-64.36
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)CC2C1	REAL300005161426	0	53	0.0	-79.57	391.51	10.92	-68.65
CC1=NNC(C(=O)N2CC3CCC([NH+](C)C)CC3C2)=C1C(=O)[O-]	REAL300005161427	0	47	0.0	-83.32	337.43	7.85	-75.47
CC1=C(C(=O)[O-])C(C(=O)N2CC3CCC([NH+](C)C)CC3C2)=NN1	REAL300005161427	1	47	0.0	-88.48	348.97	7.91	-80.57
C[NH+](C)C1CCC2CN(C(=O)CC3(CC(=O)[O-])CC3)CC2C1	REAL300005161428	0	50	0.0	-73.67	367.95	9.59	-64.08
C[NH+](C)C1CCC2CN(C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)CC2C1	REAL300005161429	0	51	0.0	-88.72	387.67	10.30	-78.42
C[NH+](C)C1CCC2CN(C(=O)C3=CSC(C(=O)[O-])=N3)CC2C1	REAL300005161430	0	43	0.0	-69.11	340.30	7.31	-61.80
CC1=C(C(=O)N2CC3CCC([NH+](C)C)CC3C2)C=C(C(=O)[O-])S1	REAL300005161431	0	47	0.0	-72.78	360.10	9.26	-63.52
C[NH+](C)C1CCC2CN(C(=O)C3=CC4=C(SC(C(=O)[O-])=C4)S3)CC2C1	REAL300005161432	0	47	0.0	-81.98	377.87	10.07	-71.91
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC3CCC([NH+](C)C)CC3C2)=C1	REAL300005161433	0	51	0.0	-81.62	384.81	9.32	-72.30
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161434	0	50	0.0	-72.00	371.14	10.33	-61.67
C[NH+](C)C1CCC2CN(C(=O)C3=CC4=C(C(=O)[O-])C=CC=C4S3)CC2C1	REAL300005161435	0	50	0.0	-93.25	383.30	10.77	-82.48
C[NH+](C)C1CCC2CN(C(=O)CCC3=CC=CN=C3C(=O)[O-])CC2C1	REAL300005161436	0	52	0.0	-84.82	387.62	9.30	-75.52
C[NH+](C)C1CCC2CN(C(=O)C34CC(C(=O)[O-])(C3)CO4)CC2C1	REAL300005161437	0	49	0.0	-74.07	355.52	7.39	-66.68
C[NH+](C)C1CCC2CN(C(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)CC2C1	REAL300005161438	0	51	0.0	-81.19	386.78	10.99	-70.20
C[NH+](C)C1CCC2CN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2C1	REAL300005161439	0	54	0.0	-72.29	382.16	10.09	-62.20
CN1N=CC(C(=O)[O-])=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161440	0	47	0.0	-83.99	359.99	7.22	-76.77
C[NH+](C)C1CCC2CN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)CC2C1	REAL300005161441	0	48	0.0	-72.49	373.68	8.92	-63.57
C[NH+](C)C1CCC2CN(C(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)CC2C1	REAL300005161442	0	48	0.0	-78.80	373.88	9.06	-69.74
C[NH+](C)C1CCC2CN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)CC2C1	REAL300005161443	0	48	0.0	-73.09	365.03	8.06	-65.03
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161444	0	50	0.0	-83.74	363.83	9.95	-73.79
C[NH+](C)C1CCC2CN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)CC2C1	REAL300005161445	0	50	0.0	-82.31	375.81	9.42	-72.89
C=C1CCC1(C(=O)[O-])C(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161446	0	48	0.0	-70.77	338.48	8.90	-61.87
C[NH+](C)C1CCC2CN(C(=O)C3=CC(C(=O)[O-])=CS3)CC2C1	REAL300005161447	0	44	0.0	-85.78	334.58	8.71	-77.07
C[NH+](C)C1CCC2CN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CC2C1	REAL300005161448	0	52	0.0	-83.73	372.65	8.28	-75.45
C[NH+](C)C1CCC2CN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CC2C1	REAL300005161449	0	53	0.0	-82.14	388.55	11.47	-70.67
CC(C)[C@]1(C(=O)N2CC3CCC([NH+](C)C)CC3C2)C[C@H]1C(=O)[O-]	REAL300005161450	0	53	0.0	-83.50	369.42	9.75	-73.75
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300005161451	0	53	0.0	-89.44	394.65	10.97	-78.47
C[NH+](C)C1CCC2CN(C(=O)CC3=CC(C(=O)[O-])=CS3)CC2C1	REAL300005161452	0	47	0.0	-85.78	369.51	9.65	-76.13
C[NH+](C)C1CCC2CN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)CC2C1	REAL300005161453	0	50	0.0	-91.00	375.67	10.74	-80.26
C[NH+](C)C1CCC2CN(C(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)CC2C1	REAL300005161454	0	50	0.0	-72.32	347.88	9.49	-62.83
C[NH+](C)C1CCC2CN(C(=O)C3=C4CCCCC4=C(C(=O)[O-])S3)CC2C1	REAL300005161455	0	54	0.0	-76.42	397.13	11.05	-65.37
C[NH+](C)C1CCC2CN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2C1	REAL300005161456	0	57	0.0	-77.95	380.15	10.34	-67.61
CC1=CC=CN2C=C(C3=CC=CC(NC(=O)C[N@@H+]4CCCC(C(=O)[O-])C4)=C3)N=C12	REAL300005161550	0	53	0.0	-57.20	417.55	12.04	-45.16
CC1=CC=CN2C=C(C3=CC=CC(NC(=O)C[N@H+]4CCCC(C(=O)[O-])C4)=C3)N=C12	REAL300005161550	1	53	0.0	-62.08	411.76	12.08	-50.00
CC1=CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300005161665	0	43	0.0	-49.42	351.61	10.17	-39.25
CC1=CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300005161665	1	43	0.0	-50.13	352.74	10.19	-39.94
CC[C@H](C)[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005162719	0	52	0.0	-73.64	387.09	10.08	-63.56
CC[C@H](C)[C@H](NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300005163951	1	51	0.0	-73.43	394.51	7.84	-65.59
CC[C@H](C)[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005163995	0	55	0.0	-77.95	421.01	9.63	-68.32
CC[C@H](C)[C@H](NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005164000	0	55	0.0	-78.33	422.53	11.94	-66.39
CC[C@H](C)[C@H](NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005164000	1	55	0.0	-77.87	420.81	11.94	-65.93
CC[C@H](C)[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005164109	0	45	0.0	-79.83	356.17	7.53	-72.30
CC[C@H](C)[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005164127	0	53	0.0	-78.12	379.38	7.11	-71.01
CC[C@H](C)[C@H](NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300005164146	1	49	0.0	-74.67	365.93	6.44	-68.23
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300005164147	0	54	0.0	-81.23	385.96	9.71	-71.52
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300005164147	1	54	0.0	-81.05	386.26	9.84	-71.21
CC[C@H](C)[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005164162	0	49	0.0	-66.46	372.49	9.27	-57.19
CC[C@H](C)[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005164162	1	49	0.0	-65.35	371.95	9.37	-55.98
CC[C@H](C)[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005164163	0	50	0.0	-73.53	367.44	8.48	-65.05
CC[C@H](C)[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005164184	0	53	0.0	-65.93	362.76	6.69	-59.24
CC[C@H](C)[C@H](NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005164187	0	48	0.0	-58.78	362.77	8.84	-49.94
CC[C@H](C)[C@H](NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005164187	1	48	0.0	-62.39	362.56	8.85	-53.54
CC[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005164194	0	55	0.0	-71.45	411.31	10.89	-60.56
CC[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005164194	1	55	0.0	-57.66	405.06	11.11	-46.55
CCC[NH+](CCC)CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300005164214	0	53	0.0	-67.34	388.55	9.06	-58.28
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005164229	0	49	0.0	-81.14	369.90	9.54	-71.60
CC[C@H](C)[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005164234	0	52	0.0	-74.27	387.39	10.19	-64.08
CC[C@H](C)[C@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300005164240	0	60	0.0	-69.52	419.76	7.66	-61.86
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300005164246	1	56	0.0	-83.26	419.03	9.23	-74.03
CC[C@H](C)[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005164256	1	53	0.0	-78.32	395.21	9.32	-69.00
CC[C@H](C)[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005164256	1	53	0.0	-74.24	400.34	9.37	-64.87
CC[C@H](C)[C@H](NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005164270	1	43	0.0	-78.92	341.78	6.74	-72.18
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005164273	0	52	0.0	-80.98	385.71	10.21	-70.77
CC[C@H](C)[C@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300005164283	1	45	0.0	-76.78	351.08	6.94	-69.84
CC[C@H](C)[C@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005164284	0	48	0.0	-85.44	368.30	9.19	-76.25
CC[C@H](C)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005164287	1	50	0.0	-69.36	381.75	8.87	-60.49
CC[C@H](C)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005164287	1	50	0.0	-77.47	381.08	8.91	-68.56
CC[C@H](C)[C@H](NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005164295	0	58	0.0	-54.74	424.25	11.32	-43.42
CC[C@H](C)[C@H](NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005164320	0	48	0.0	-62.31	366.81	9.28	-53.03
CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005164320	1	48	0.0	-62.24	366.80	9.28	-52.96
CC[C@H](C)[C@H](NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300005164321	0	52	0.0	-66.80	395.85	5.47	-61.33
CC[C@H](C)[C@H](NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300005164321	1	52	0.0	-66.83	395.83	5.45	-61.38
CC[C@H](C)[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005164327	0	57	0.0	-73.46	421.96	8.98	-64.48
CC[C@H](C)[C@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300005164353	0	53	0.0	-69.92	383.01	6.01	-63.91
CC[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300005164353	1	53	0.0	-64.08	377.86	5.82	-58.26
CC[C@H](C)[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300005164354	0	56	0.0	-71.42	404.51	6.82	-64.60
CC[C@H](C)[C@H](NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300005164354	1	56	0.0	-69.35	401.01	6.61	-62.74
CC[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300005164358	0	57	0.0	-69.53	421.87	8.84	-60.69
CC[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005164359	0	54	0.0	-69.30	399.96	8.14	-61.16
CC[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005164362	0	51	0.0	-65.73	375.81	8.49	-57.24
CC[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005164362	1	51	0.0	-64.31	374.35	8.44	-55.87
CC[C@H](C)[C@H](NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005164366	1	49	0.0	-59.65	365.30	9.26	-50.39
CC[C@H](C)[C@H](NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005164366	1	49	0.0	-57.41	363.13	9.35	-48.06
CC[C@H](C)[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005164383	0	52	0.0	-71.01	389.08	9.99	-61.02
CC[C@H](C)[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005164383	1	52	0.0	-73.83	393.13	10.09	-63.74
CC[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005164400	0	52	0.0	-67.38	393.55	10.11	-57.27
CC[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005164400	1	52	0.0	-62.01	388.93	10.30	-51.71
CC[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005164402	0	53	0.0	-68.91	398.23	7.59	-61.32
CC[C@H](C)[C@H](NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300005164424	1	52	0.0	-80.22	385.24	8.28	-71.94
CC[C@H](C)[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005164425	0	52	0.0	-66.79	374.26	8.76	-58.03
CC[C@H](C)[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005164425	1	52	0.0	-66.28	372.24	8.75	-57.53
CC[C@H](C)[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300005164443	0	54	0.0	-71.31	402.79	7.77	-63.54
CC[C@H](C)[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300005164444	0	54	0.0	-79.82	404.43	7.77	-72.05
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300005164444	1	54	0.0	-82.28	403.17	7.69	-74.59
CC[C@H](C)[C@H](NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300005164445	0	55	0.0	-80.77	410.09	9.52	-71.25
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300005164498	0	56	0.0	-84.36	419.05	7.51	-76.85
CC[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005164500	0	52	0.0	-61.76	382.55	10.24	-51.52
CC[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005164500	1	52	0.0	-59.50	381.12	10.26	-49.24
CC[C@H](C)[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005164580	1	50	0.0	-81.46	378.95	8.79	-72.67
CC[C@H](C)[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005164580	1	50	0.0	-82.65	380.82	8.75	-73.90
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300005164618	0	48	0.0	-74.58	361.85	7.77	-66.81
CC[C@H](C)[C@H](NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300005164620	1	51	0.0	-70.82	381.69	7.92	-62.90
CC[C@H](C)[C@H](NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300005164623	0	57	0.0	-83.23	413.11	8.75	-74.48
CC[C@H](C)[C@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005164630	1	40	0.0	-77.26	325.31	6.29	-70.97
CC[C@H](C)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005164654	0	52	0.0	-74.55	389.64	9.84	-64.71
CC[C@H](C)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005164654	1	52	0.0	-73.48	393.50	9.93	-63.55
CC[C@H](C)[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005164669	0	53	0.0	-82.83	410.16	9.31	-73.52
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005164681	0	49	0.0	-75.29	371.11	8.45	-66.84
CC[C@H](C)[C@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005164925	0	42	0.0	-67.98	320.52	6.57	-61.41
CC[C@H](C)[C@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005164925	1	42	0.0	-57.16	329.59	6.64	-50.52
CC[C@H](C)[C@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300005165212	0	48	0.0	-77.27	367.59	9.21	-68.06
CC[C@H](C)[C@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005165215	0	49	0.0	-82.65	375.60	8.14	-74.51
CC[C@H](C)[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005165275	0	55	0.0	-71.58	407.42	10.78	-60.80
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005165277	1	53	0.0	-82.96	391.51	8.52	-74.44
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005165277	1	53	0.0	-82.98	391.52	8.52	-74.46
O=C([O-])C1CCC[N@H+](CC(=O)NCCN2C=C3C=CC=CC3=N2)C1	REAL300005165406	0	46	0.0	-59.02	365.99	7.64	-51.38
O=C([O-])C1CCC[N@@H+](CC(=O)NCCN2C=C3C=CC=CC3=N2)C1	REAL300005165406	1	46	0.0	-61.34	359.80	7.62	-53.72
CCCCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=N1	REAL300005165527	1	51	0.0	-49.35	381.88	8.91	-40.44
CCCCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=N1	REAL300005165527	1	51	0.0	-51.13	382.67	9.35	-41.78
CN(OCC(=O)[O-])C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005166573	0	44	0.0	-84.62	346.98	10.35	-74.27
CN(OCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300005167709	1	41	0.0	-48.07	347.40	9.71	-38.36
CN(OCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300005167709	1	41	0.0	-46.24	341.77	9.22	-37.02
CN(OCC(=O)[O-])C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005167752	0	44	0.0	-39.60	346.08	9.69	-29.91
CN(OCC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005167818	0	47	0.0	-61.65	381.12	9.32	-52.33
CN(OCC(=O)[O-])C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300005167823	0	47	0.0	-67.66	379.76	11.37	-56.29
CN(OCC(=O)[O-])C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300005167823	1	47	0.0	-67.71	379.70	11.38	-56.33
CN(OCC(=O)[O-])C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005167824	0	47	0.0	-75.19	352.39	10.29	-64.90
CN(OCC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005167851	0	44	0.0	-70.31	352.70	9.89	-60.42
CN(OCC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005167851	1	44	0.0	-70.57	353.16	9.91	-60.66
CN(OCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005167879	1	44	0.0	-46.07	344.97	9.56	-36.51
CN(OCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005167879	1	44	0.0	-47.85	340.34	9.49	-38.36
CN(OCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005167880	1	41	0.0	-48.89	337.11	9.26	-39.63
CN(OCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005167880	1	41	0.0	-46.97	331.44	8.77	-38.20
CN(OCC(=O)[O-])C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005167916	0	37	0.0	-63.98	314.42	6.94	-57.04
CN(OCC(=O)[O-])C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300005167920	0	47	0.0	-69.36	373.79	8.99	-60.37
CN(OCC(=O)[O-])C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005167938	0	45	0.0	-55.25	329.60	6.57	-48.68
CC[N@H+](CC1=CC=C(C(=O)N(C)OCC(=O)[O-])C=C1)C(C)C	REAL300005167948	0	46	0.0	-60.18	343.64	9.12	-51.06
CC[N@@H+](CC1=CC=C(C(=O)N(C)OCC(=O)[O-])C=C1)C(C)C	REAL300005167948	1	46	0.0	-55.75	341.78	8.93	-46.82
CN(OCC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005167963	0	42	0.0	-54.98	328.14	8.35	-46.63
CN(OCC(=O)[O-])C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300005167980	1	46	0.0	-60.32	350.65	7.55	-52.77
CN(OCC(=O)[O-])C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005167981	0	45	0.0	-51.99	323.04	6.48	-45.51
CN(OCC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005167987	0	47	0.0	-56.08	367.99	10.52	-45.56
CN(OCC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005167987	1	47	0.0	-80.78	368.39	11.13	-69.65
CN(OCC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005168017	1	45	0.0	-42.61	351.13	6.23	-36.38
CN(OCC(=O)[O-])C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300005168021	1	37	0.0	-70.46	314.41	8.96	-61.50
CN(OCC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005168031	0	44	0.0	-62.75	344.56	9.63	-53.12
CCN1CCC([NH+]2CCC(C(=O)N(C)OCC(=O)[O-])CC2)CC1	REAL300005168036	0	52	0.0	-80.12	376.81	7.84	-72.28
CC[NH+]1CCC(N2CCC(C(=O)N(C)OCC(=O)[O-])CC2)CC1	REAL300005168036	1	52	0.0	-60.48	378.72	7.43	-53.05
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)OCC(=O)[O-])=C1	REAL300005168038	0	54	0.0	-53.01	426.46	13.24	-39.77
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)OCC(=O)[O-])=C1	REAL300005168038	1	54	0.0	-83.17	430.98	13.80	-69.37
CC1C[NH+](CC2=CC=C(C(=O)N(C)OCC(=O)[O-])C=C2)CC(C)O1	REAL300005168042	1	48	0.0	-60.59	377.84	8.67	-51.92
CN(OCC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005168052	1	45	0.0	-57.36	354.59	9.05	-48.31
CN(OCC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005168052	1	45	0.0	-59.36	361.38	9.09	-50.27
CN(OCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005168065	0	44	0.0	-42.91	344.51	9.70	-33.21
CN(OCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005168065	1	44	0.0	-42.72	342.87	9.58	-33.14
CN(OCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005168068	0	44	0.0	-58.53	344.24	9.59	-48.94
CN(OCC(=O)[O-])C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300005168075	0	54	0.0	-61.88	420.84	12.77	-49.11
CN(OCC(=O)[O-])C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300005168075	1	54	0.0	-49.49	412.58	12.56	-36.93
CN(OCC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005168078	1	42	0.0	-84.68	336.95	8.82	-75.86
CN(OCC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005168078	1	42	0.0	-83.79	337.35	8.84	-74.95
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N(C)OCC(=O)[O-]	REAL300005168079	0	51	0.0	-61.03	392.05	11.19	-49.84
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N(C)OCC(=O)[O-]	REAL300005168079	1	51	0.0	-60.56	385.93	10.77	-49.79
CC(C(=O)N(C)OCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005168086	0	50	0.0	-46.73	384.10	11.03	-35.70
CN(OCC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005168106	0	49	0.0	-58.63	381.35	8.71	-49.92
CN(OCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300005168107	1	43	0.0	-46.51	339.51	7.96	-38.55
CN(OCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300005168107	1	43	0.0	-48.08	328.91	7.68	-40.40
CN(OCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300005168108	1	43	0.0	-45.95	333.46	7.73	-38.22
CN(OCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300005168108	1	43	0.0	-46.16	337.89	7.83	-38.33
CC(C)[NH+]1CCN(CCCC(=O)N(C)OCC(=O)[O-])CC1	REAL300005168123	0	48	0.0	-57.77	363.91	6.55	-51.22
CC(C)N1CC[NH+](CCCC(=O)N(C)OCC(=O)[O-])CC1	REAL300005168123	1	48	0.0	-54.75	360.22	6.33	-48.42
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)OCC(=O)[O-])CC2)=C1	REAL300005168124	0	49	0.0	-54.70	381.26	8.58	-46.12
CN(OCC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005168125	0	46	0.0	-54.39	359.87	7.90	-46.49
CN(OCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005168127	0	43	0.0	-77.53	333.21	8.55	-68.98
CN(OCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005168127	1	43	0.0	-73.12	332.75	8.45	-64.67
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CCN1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC[N@@H+](CC)CC1	REAL300005176727	1	57	0.0	-81.11	396.30	9.57	-71.54
CCN1CCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC[N@H+](CC)CC1	REAL300005176728	0	57	0.0	-64.28	379.56	7.50	-56.78
CCN1CCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC[N@@H+](CC)CC1	REAL300005176728	1	57	0.0	-37.82	367.32	8.00	-29.82
CCN1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC[N@H+](CC)CC1	REAL300005176729	0	57	0.0	-86.50	369.73	10.37	-76.13
CCN1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC[N@@H+](CC)CC1	REAL300005176729	1	57	0.0	-85.27	398.74	9.07	-76.20
CCN1CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC[N@H+](CC)CC1	REAL300005176730	0	51	0.0	-81.32	373.00	7.68	-73.64
CCN1CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC[N@@H+](CC)CC1	REAL300005176730	1	51	0.0	-81.21	373.16	7.69	-73.52
CCN1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC[N@H+](CC)CC1	REAL300005176731	0	54	0.0	-86.61	386.06	8.58	-78.03
CCN1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC[N@@H+](CC)CC1	REAL300005176731	1	54	0.0	-78.73	394.28	8.86	-69.87
CCN1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC[N@H+](CC)CC1	REAL300005176732	0	54	0.0	-62.44	362.45	7.32	-55.12
CCN1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC[N@@H+](CC)CC1	REAL300005176732	1	54	0.0	-79.96	337.06	9.21	-70.75
CCN1CCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC[N@H+](CC)CC1	REAL300005176733	0	58	0.0	-66.05	416.35	9.47	-56.58
CCN1CCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC[N@@H+](CC)CC1	REAL300005176733	1	58	0.0	-72.14	406.96	9.04	-63.10
CCN1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC[N@H+](CC)CC1	REAL300005176734	0	61	0.0	-78.03	391.99	8.16	-69.87
CCN1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC[N@@H+](CC)CC1	REAL300005176734	1	61	0.0	-75.17	378.69	9.82	-65.35
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@@H]2C[C@H]2C2=CC=CO2)C1	REAL300005176841	0	44	0.0	-50.60	350.72	7.82	-42.78
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@@H]2C[C@H]2C2=CC=CO2)C1	REAL300005176841	1	44	0.0	-49.93	349.53	7.79	-42.14
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CON=C2C2CC2)C1	REAL300005176913	0	43	0.0	-52.45	344.97	7.02	-45.43
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CON=C2C2CC2)C1	REAL300005176913	1	43	0.0	-51.94	345.08	7.00	-44.94
CCCCC1=CC(C)=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300005177021	1	51	0.0	-49.30	382.90	8.91	-40.39
CCCCC1=CC(C)=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300005177021	1	51	0.0	-52.74	382.72	9.33	-43.41
O=C([O-])C1CCC[N@@H+](CC(=O)N2C3CCC2CC(CO)C3)C1	REAL300005177111	0	48	0.0	-47.15	335.95	5.72	-41.43
O=C([O-])C1CCC[N@H+](CC(=O)N2C3CCC2CC(CO)C3)C1	REAL300005177111	1	48	0.0	-49.75	336.01	5.74	-44.01
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CC3CC2[C@H](CO)C3)C1	REAL300005177185	0	48	0.0	-49.92	344.86	4.66	-45.26
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CC3CC2[C@H](CO)C3)C1	REAL300005177185	1	48	0.0	-45.32	344.06	4.87	-40.45
CC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300005177259	0	43	0.0	-50.05	344.10	8.06	-41.99
CC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300005177259	1	43	0.0	-46.54	342.20	7.61	-38.93
CC1=CC=C(Br)C=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005177466	0	46	0.0	-46.55	365.46	9.49	-37.06
CC1=CC=C(Br)C=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005177466	1	46	0.0	-46.08	365.47	9.47	-36.61
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOCC12CCC2	REAL300005177544	0	48	0.0	-48.01	346.73	6.74	-41.27
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOCC12CCC2	REAL300005177544	1	48	0.0	-46.09	345.88	6.30	-39.79
CS(=O)(=O)C1=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CS1	REAL300005177653	0	43	0.0	-50.93	356.54	4.77	-46.16
CS(=O)(=O)C1=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=CS1	REAL300005177653	1	43	0.0	-51.23	362.75	4.77	-46.46
CC(C)(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300005177773	0	45	0.0	-49.46	347.82	7.08	-42.38
CC(C)(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300005177773	1	45	0.0	-50.07	348.47	7.10	-42.97
CON(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(C)CC(=O)[O-]	REAL300005178821	0	50	0.0	-68.89	379.74	10.66	-58.23
CON(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(C)CC(=O)[O-]	REAL300005180107	0	53	0.0	-73.27	413.78	10.34	-62.93
CON(C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(C)CC(=O)[O-]	REAL300005180112	0	53	0.0	-76.72	412.90	12.26	-64.46
CON(C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(C)CC(=O)[O-]	REAL300005180112	1	53	0.0	-76.01	412.91	12.28	-63.73
CON(C(=O)C1(C[NH+](C)C)CCCCC1)C(C)CC(=O)[O-]	REAL300005180173	0	49	0.0	-71.03	322.38	8.91	-62.12
CON(C(=O)CC[N@H+](C)C1CCCCC1)C(C)CC(=O)[O-]	REAL300005180175	0	49	0.0	-61.73	357.31	8.83	-52.90
CON(C(=O)CC[N@@H+](C)C1CCCCC1)C(C)CC(=O)[O-]	REAL300005180175	1	49	0.0	-60.38	357.30	8.81	-51.57
CON(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(C)CC(=O)[O-]	REAL300005180227	0	43	0.0	-72.01	347.36	8.07	-63.94
CON(C(=O)C1CCC([NH+]2CCOCC2)CC1)C(C)CC(=O)[O-]	REAL300005180246	0	51	0.0	-49.39	362.25	7.67	-41.72
CON(C(=O)CCCC[NH+]1CCOCC1)C(C)CC(=O)[O-]	REAL300005180267	1	47	0.0	-68.78	357.98	7.19	-61.59
CC[N@H+](CC1=CC=C(C(=O)N(OC)C(C)CC(=O)[O-])C=C1)C(C)C	REAL300005180268	0	52	0.0	-76.64	374.81	9.81	-66.83
CC[N@@H+](CC1=CC=C(C(=O)N(OC)C(C)CC(=O)[O-])C=C1)C(C)C	REAL300005180268	1	52	0.0	-75.91	374.34	9.76	-66.15
CON(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(C)CC(=O)[O-]	REAL300005180283	0	47	0.0	-61.36	363.21	10.07	-51.29
CON(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)CC(=O)[O-]	REAL300005180283	1	47	0.0	-58.93	364.86	10.05	-48.88
CON(C(=O)C1CC[NH+](C2CCSC2)CC1)C(C)CC(=O)[O-]	REAL300005180284	0	48	0.0	-65.26	356.81	9.19	-56.07
CON(C(=O)CC1([NH+]2CCOCC2)CCCC1)C(C)CC(=O)[O-]	REAL300005180305	0	51	0.0	-63.38	354.60	7.10	-56.28
CON(C(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(C)CC(=O)[O-]	REAL300005180308	1	46	0.0	-57.49	353.06	9.21	-48.28
CON(C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(C)CC(=O)[O-]	REAL300005180308	1	46	0.0	-57.33	353.26	9.54	-47.79
CON(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(C)CC(=O)[O-]	REAL300005180315	0	53	0.0	-55.45	394.50	11.79	-43.66
CON(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(C)CC(=O)[O-]	REAL300005180315	1	53	0.0	-68.12	399.82	11.23	-56.89
CCC[NH+](CCC)CCCC(=O)N(OC)C(C)CC(=O)[O-]	REAL300005180335	0	51	0.0	-66.00	375.70	9.49	-56.51
CON(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(C)CC(=O)[O-]	REAL300005180350	0	47	0.0	-78.57	360.12	9.76	-68.81
CON(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(C)CC(=O)[O-]	REAL300005180355	0	50	0.0	-71.52	377.76	10.54	-60.98
CCN1CCC([NH+]2CCC(C(=O)N(OC)C(C)CC(=O)[O-])CC2)CC1	REAL300005180361	0	58	0.0	-64.42	409.51	8.14	-56.28
CC[NH+]1CCC(N2CCC(C(=O)N(OC)C(C)CC(=O)[O-])CC2)CC1	REAL300005180361	1	58	0.0	-73.70	409.92	8.19	-65.51
CON(C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(C)CC(=O)[O-]	REAL300005180367	1	54	0.0	-77.19	411.93	9.76	-67.43
CON(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)CC(=O)[O-]	REAL300005180377	1	51	0.0	-71.75	387.20	9.97	-61.78
CON(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)CC(=O)[O-]	REAL300005180377	1	51	0.0	-70.02	392.92	9.72	-60.30
CON(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(C)CC(=O)[O-]	REAL300005180394	0	50	0.0	-78.53	377.45	10.48	-68.05
CON(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(C)CC(=O)[O-]	REAL300005180404	1	43	0.0	-76.25	341.34	8.00	-68.25
CON(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(C)CC(=O)[O-]	REAL300005180405	0	46	0.0	-78.44	359.59	9.71	-68.73
CON(C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(C)CC(=O)[O-]	REAL300005180416	0	56	0.0	-57.58	411.43	11.88	-45.70
CON(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C(C)CC(=O)[O-]	REAL300005180441	1	46	0.0	-57.21	358.84	10.02	-47.19
CON(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(C)CC(=O)[O-]	REAL300005180441	1	46	0.0	-56.32	357.68	9.63	-46.69
COCCOCC[N@H+](C)CCC(=O)N(OC)C(C)CC(=O)[O-]	REAL300005180442	0	50	0.0	-60.18	387.84	6.21	-53.97
COCCOCC[N@@H+](C)CCC(=O)N(OC)C(C)CC(=O)[O-]	REAL300005180442	1	50	0.0	-64.62	387.07	5.85	-58.77
CON(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)CC(=O)[O-]	REAL300005180448	0	55	0.0	-67.78	414.01	9.74	-58.04
CON(C(=O)CCN1CC[NH+](C(C)C)CC1)C(C)CC(=O)[O-]	REAL300005180475	0	51	0.0	-66.83	375.06	6.78	-60.05
CON(C(=O)CCCN1CC[NH+](C(C)C)CC1)C(C)CC(=O)[O-]	REAL300005180476	0	54	0.0	-67.04	395.73	7.19	-59.85
CON(C(=O)CCC[NH+]1CCN(C(C)C)CC1)C(C)CC(=O)[O-]	REAL300005180476	1	54	0.0	-64.47	392.87	7.36	-57.11
CON(C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(C)CC(=O)[O-]	REAL300005180480	0	55	0.0	-63.34	413.92	9.61	-53.73
CON(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)CC(=O)[O-]	REAL300005180482	0	52	0.0	-63.66	392.51	8.93	-54.73
CON(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(C)CC(=O)[O-]	REAL300005180485	0	49	0.0	-60.36	374.66	8.86	-51.50
CON(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(C)CC(=O)[O-]	REAL300005180485	1	49	0.0	-63.02	366.99	9.22	-53.80
CON(C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(C)CC(=O)[O-]	REAL300005180489	1	47	0.0	-53.54	351.49	9.63	-43.91
CON(C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(C)CC(=O)[O-]	REAL300005180489	1	47	0.0	-55.94	349.18	9.80	-46.14
CON(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)CC(=O)[O-]	REAL300005180506	0	50	0.0	-67.11	384.74	10.82	-56.29
CON(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)CC(=O)[O-]	REAL300005180506	1	50	0.0	-68.35	384.05	10.46	-57.89
CON(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C(C)CC(=O)[O-]	REAL300005180516	1	44	0.0	-77.26	342.93	6.62	-70.64
CON(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C(C)CC(=O)[O-]	REAL300005180516	1	44	0.0	-79.64	342.92	6.63	-73.01
CON(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(C)CC(=O)[O-]	REAL300005180523	0	50	0.0	-60.49	386.14	10.69	-49.80
CON(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(C)CC(=O)[O-]	REAL300005180523	1	50	0.0	-62.57	376.51	11.05	-51.52
CON(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(C)CC(=O)[O-]	REAL300005180525	0	51	0.0	-63.85	390.23	8.36	-55.49
CON(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C(C)CC(=O)[O-]	REAL300005180550	0	50	0.0	-57.91	365.34	9.47	-48.44
CON(C(=O)C1CC[N@H+](C2CCCCC2)C1)C(C)CC(=O)[O-]	REAL300005180550	1	50	0.0	-58.50	361.45	9.07	-49.43
CON(C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(C)CC(=O)[O-]	REAL300005180568	0	52	0.0	-67.92	394.88	8.33	-59.59
CON(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(C)CC(=O)[O-]	REAL300005180569	0	52	0.0	-70.99	393.94	8.15	-62.84
CON(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(C)CC(=O)[O-]	REAL300005180569	1	52	0.0	-75.27	395.14	8.18	-67.09
CC[NH+](CC)CCOC1=CC=C(C(=O)N(OC)C(C)CC(=O)[O-])C=C1	REAL300005180570	0	53	0.0	-72.68	396.00	9.92	-62.76
CON(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(C)CC(=O)[O-]	REAL300005180625	0	54	0.0	-76.75	410.30	8.05	-68.70
CON(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(C)CC(=O)[O-]	REAL300005180627	0	50	0.0	-58.94	369.47	10.75	-48.19
CON(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(C)CC(=O)[O-]	REAL300005180627	1	50	0.0	-55.04	366.86	10.40	-44.64
CC[NH+]1CCN(CCC(=O)N(OC)C(C)CC(=O)[O-])CC1	REAL300005180664	0	48	0.0	-65.44	357.16	6.10	-59.34
CCN1CC[NH+](CCC(=O)N(OC)C(C)CC(=O)[O-])CC1	REAL300005180664	1	48	0.0	-60.19	358.32	6.25	-53.94
CON(C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(C)CC(=O)[O-]	REAL300005180708	1	48	0.0	-80.37	371.15	9.11	-71.26
CON(C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(C)CC(=O)[O-]	REAL300005180708	1	48	0.0	-79.13	371.35	9.46	-69.67
CC[NH+](CC)CC1=CC=C(C(=O)N(OC)C(C)CC(=O)[O-])O1	REAL300005180747	0	46	0.0	-68.21	358.28	9.61	-58.60
CON(C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(C)CC(=O)[O-]	REAL300005180748	1	49	0.0	-62.76	372.64	8.51	-54.25
CON(C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(C)CC(=O)[O-]	REAL300005180751	0	55	0.0	-77.23	405.00	9.40	-67.83
CON(C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(C)CC(=O)[O-]	REAL300005180782	0	50	0.0	-59.28	378.71	10.62	-48.66
CON(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(C)CC(=O)[O-]	REAL300005180782	1	50	0.0	-68.65	382.82	10.45	-58.20
CON(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(C)CC(=O)[O-]	REAL300005180797	0	51	0.0	-77.85	403.50	10.13	-67.72
CON(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(C)CC(=O)[O-]	REAL300005180810	0	47	0.0	-69.99	363.04	10.05	-59.94
CON(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C(C)CC(=O)[O-]	REAL300005181064	0	40	0.0	-62.22	307.84	7.15	-55.07
CON(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(C)CC(=O)[O-]	REAL300005181064	1	40	0.0	-71.56	304.89	7.42	-64.14
CON(C(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(C)CC(=O)[O-]	REAL300005181357	0	46	0.0	-78.63	358.69	9.52	-69.11
CON(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(C)CC(=O)[O-]	REAL300005181360	0	47	0.0	-74.87	366.82	8.67	-66.20
CON(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)CC(=O)[O-]	REAL300005181421	0	53	0.0	-68.09	398.59	11.16	-56.93
CON(C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(C)CC(=O)[O-]	REAL300005181423	1	51	0.0	-75.61	383.57	9.08	-66.53
CON(C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(C)CC(=O)[O-]	REAL300005181423	1	51	0.0	-73.98	383.60	9.08	-64.90
CON(C(=O)C1CCC[N@H+](CC(C)C)C1)C(C)CC(=O)[O-]	REAL300005181471	0	49	0.0	-58.66	359.95	9.18	-49.48
CON(C(=O)C1CCC[N@@H+](CC(C)C)C1)C(C)CC(=O)[O-]	REAL300005181471	1	49	0.0	-43.99	355.79	9.36	-34.63
COC1=CC=C(C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCO2)C=C1OC	REAL300005181548	0	56	0.0	-53.93	424.54	8.09	-45.84
COC1=CC=C(C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCO2)C=C1OC	REAL300005181548	1	56	0.0	-53.85	418.14	8.27	-45.58
CC(C)C1(O)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005181627	0	50	0.0	-48.29	350.98	6.16	-42.13
CC(C)C1(O)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005181627	1	50	0.0	-45.11	343.51	5.69	-39.42
CC1=NN(C)C(C)=C1C(O)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005181735	0	50	0.0	-54.28	377.50	3.95	-50.33
CC1=NN(C)C(C)=C1C(O)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005181735	1	50	0.0	-54.46	381.30	3.94	-50.52
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC3=CC=CC=C3C(O)=C2)C1	REAL300005181853	0	44	0.0	-50.40	339.99	6.34	-44.06
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC3=CC=CC=C3C(O)=C2)C1	REAL300005181853	1	44	0.0	-54.29	340.51	6.82	-47.47
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@@H]2N2C=C(Br)C=N2)C1	REAL300005181948	0	47	0.0	-44.35	368.33	7.87	-36.48
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@@H]2N2C=C(Br)C=N2)C1	REAL300005181948	1	47	0.0	-44.84	368.99	7.91	-36.93
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NN(C3=CC=CC=C3)N=C2)C1	REAL300005182054	0	49	0.0	-52.83	384.51	7.48	-45.35
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NN(C3=CC=CC=C3)N=C2)C1	REAL300005182054	1	49	0.0	-57.50	386.42	7.92	-49.58
O=C([O-])C1CCC[N@H+](CC(=O)N2C3CC4CC(C3)CC2C4)C1	REAL300005182145	0	48	0.0	-41.91	329.11	9.07	-32.84
O=C([O-])C1CCC[N@@H+](CC(=O)N2C3CC4CC(C3)CC2C4)C1	REAL300005182145	1	48	0.0	-46.73	330.26	9.51	-37.22
O=C([O-])C(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)CC1=CC=CN=C1	REAL300005183351	0	55	0.0	-70.57	431.90	10.55	-60.02
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC1=CC=CN=C1	REAL300005184026	0	52	0.0	-53.21	408.70	9.44	-43.77
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC1=CC=CN=C1	REAL300005184026	1	52	0.0	-47.70	404.81	10.08	-37.62
O=C([O-])C(CNC(=O)C1CC[NH+](C2CC2)CC1)CC1=CC=CN=C1	REAL300005184955	0	49	0.0	-55.94	373.75	8.25	-47.69
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CC1)CC1=CC=CN=C1	REAL300005184982	0	46	0.0	-52.70	361.80	7.78	-44.92
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CC1)CC1=CC=CN=C1	REAL300005184982	1	46	0.0	-44.94	353.45	7.74	-37.20
CC1=[NH+]C=C2CCC(C(=O)NCC(CC3=CC=CN=C3)C(=O)[O-])CN21	REAL300005184988	1	47	0.0	-60.21	379.16	8.08	-52.13
O=C([O-])C(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC1=CC=CN=C1	REAL300005184989	0	55	0.0	-55.30	422.48	10.55	-44.75
C[N@@H+]1CCCCC1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185071	0	45	0.0	-54.77	333.60	6.75	-48.02
C[N@H+]1CCCCC1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185071	1	45	0.0	-59.32	352.79	6.91	-52.41
CC(C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005185072	1	50	0.0	-64.69	383.77	5.14	-59.55
C[N@@H+]1CCCC[C@H]1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185116	0	45	0.0	-50.75	346.21	6.86	-43.89
C[N@H+]1CCCC[C@H]1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185116	1	45	0.0	-53.98	336.94	6.69	-47.29
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300005185163	0	58	0.0	-70.33	464.89	10.09	-60.24
CC1(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300005185175	0	58	0.0	-55.91	444.57	10.97	-44.94
C[NH+]1CCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300005185209	0	45	0.0	-59.86	345.47	7.08	-52.78
O=C([O-])C(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)CC1=CC=CN=C1	REAL300005185235	0	40	0.0	-62.84	331.07	8.80	-54.04
C[NH+](C)CC1(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])CCCCC1	REAL300005185269	0	54	0.0	-50.85	395.50	8.96	-41.89
C[N@H+](CCC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])C1CCCCC1	REAL300005185274	0	54	0.0	-55.64	402.71	8.96	-46.68
C[N@@H+](CCC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])C1CCCCC1	REAL300005185274	1	54	0.0	-59.69	409.27	8.95	-50.74
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C[NH+]1CCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300005185344	0	45	0.0	-59.86	345.47	7.08	-52.78
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CC1=[NH+]C=CN1CCCC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185407	1	46	0.0	-64.14	381.79	8.21	-55.93
O=C([O-])C(CNC(=O)CCCC[NH+]1CCOCC1)CC1=CC=CN=C1	REAL300005185408	1	52	0.0	-71.95	409.09	6.90	-65.05
CC[N@H+](CC1=CC=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C=C1)C(C)C	REAL300005185411	0	57	0.0	-65.73	434.08	10.41	-55.32
CC[N@@H+](CC1=CC=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C=C1)C(C)C	REAL300005185411	1	57	0.0	-67.33	421.42	10.22	-57.11
O=C([O-])C(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)CC1=CC=CN=C1	REAL300005185460	0	52	0.0	-60.66	413.97	9.73	-50.93
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O=C([O-])C(CNC(=O)C1CC[NH+](C2CCSC2)CC1)CC1=CC=CN=C1	REAL300005185461	0	53	0.0	-65.45	410.70	8.99	-56.46
C[NH+]1CCN(C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300005185489	1	57	0.0	-60.53	434.32	8.60	-51.93
O=C([O-])C(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)CC1=CC=CN=C1	REAL300005185490	0	56	0.0	-57.27	398.22	7.21	-50.06
CCC(C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])[NH+](CC)CC	REAL300005185494	0	50	0.0	-55.98	373.41	7.33	-48.65
CC(C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005185496	0	51	0.0	-56.39	405.77	9.31	-47.08
CC(C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005185496	1	51	0.0	-60.07	405.70	9.32	-50.75
O=C([O-])C(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)CC1=CC=CN=C1	REAL300005185508	0	58	0.0	-64.38	447.94	11.33	-53.05
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)CC1=CC=CN=C1	REAL300005185508	1	58	0.0	-66.04	447.96	11.33	-54.71
C[NH+](C)CC1=CC=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300005185531	0	47	0.0	-67.85	374.87	7.34	-60.51
CCC[NH+](CCC)CCCC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185540	0	56	0.0	-61.28	431.54	9.50	-51.78
O=C([O-])C(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)CC1=CC=CN=C1	REAL300005185541	1	56	0.0	-44.48	432.21	7.32	-37.16
CC[N@H+](C)C(C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])C1=CC=CC=C1	REAL300005185542	0	51	0.0	-52.23	403.98	9.41	-42.82
CC[N@@H+](C)C(C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])C1=CC=CC=C1	REAL300005185542	1	51	0.0	-42.10	393.34	9.58	-32.52
C[N@@H+]1CCOC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005185544	1	43	0.0	-55.60	331.21	5.72	-49.88
C[N@H+]1CCOC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005185544	1	43	0.0	-41.77	331.19	5.71	-36.06
CC[NH+](CC)C(C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])C1=CC=CC=C1	REAL300005185547	0	54	0.0	-53.62	410.21	9.86	-43.76
CC(C)C1=[NH+]C=CN1CC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185556	1	46	0.0	-56.86	376.47	8.04	-48.82
C[NH+](C)C(C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005185561	1	48	0.0	-56.60	402.27	9.32	-47.28
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)CC1=CC=CN=C1	REAL300005185574	0	52	0.0	-75.20	413.78	9.95	-65.25
O=C([O-])C(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)CC1=CC=CN=C1	REAL300005185582	0	55	0.0	-73.14	430.54	10.65	-62.49
C[NH+](C)CC1(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300005185589	0	45	0.0	-59.62	352.53	7.07	-52.55
C[NH+](C)CCCCC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185599	0	47	0.0	-66.02	376.29	7.48	-58.54
CC(C)C(C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])[NH+](C)C	REAL300005185608	0	47	0.0	-48.24	351.85	7.55	-40.69
O=C([O-])C(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)CC1=CC=CN=C1	REAL300005185610	1	56	0.0	-68.03	428.45	9.80	-58.23
O=C([O-])C(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)CC1=CC=CN=C1	REAL300005185610	1	56	0.0	-71.83	438.61	9.81	-62.02
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC1=CC=CN=C1	REAL300005185622	0	55	0.0	-42.29	419.60	10.56	-31.73
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC1=CC=CN=C1	REAL300005185622	1	55	0.0	-50.37	420.05	10.34	-40.03
CC1=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005185624	1	46	0.0	-78.98	386.58	7.20	-71.78
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)CC1=CC=CN=C1	REAL300005185632	0	55	0.0	-75.62	430.53	10.66	-64.96
O=C([O-])C(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)CC1=CC=CN=C1	REAL300005185646	1	48	0.0	-71.80	384.31	7.41	-64.39
C[NH+](C)CCC1=CC=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300005185647	0	51	0.0	-79.13	411.46	9.65	-69.48
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185659	1	44	0.0	-55.99	360.12	6.38	-49.61
O=C([O-])C(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)CC1=CC=CN=C1	REAL300005185661	1	53	0.0	-51.31	415.52	9.35	-41.96
O=C([O-])C(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)CC1=CC=CN=C1	REAL300005185661	1	53	0.0	-59.19	415.09	9.44	-49.75
C[N@H+](CC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])C1CCC1	REAL300005185692	0	45	0.0	-52.18	357.15	7.33	-44.85
C[N@@H+](CC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])C1CCC1	REAL300005185692	1	45	0.0	-46.17	347.01	7.40	-38.77
CC(C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300005185718	1	46	0.0	-49.69	357.98	7.22	-42.47
C[N@H+](CC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])CC(C)(C)C	REAL300005185724	0	50	0.0	-47.68	368.72	7.83	-39.85
C[N@@H+](CC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-])CC(C)(C)C	REAL300005185724	1	50	0.0	-58.67	380.60	7.86	-50.81
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185726	0	51	0.0	-57.88	409.99	9.79	-48.09
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005185726	1	51	0.0	-51.64	400.02	9.86	-41.78
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C[NH+](C)CC1=CC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])=NO1	REAL300005186451	1	44	0.0	-79.08	368.92	6.28	-72.80
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005186455	0	55	0.0	-60.97	425.60	10.29	-50.68
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005186455	1	55	0.0	-55.64	426.70	10.50	-45.14
CC(C)[N@@H+]1CCCC1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005186471	0	48	0.0	-43.60	354.18	7.61	-35.99
CC(C)[N@H+]1CCCC1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005186471	1	48	0.0	-50.55	359.85	7.42	-43.13
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300005186479	0	56	0.0	-73.00	453.31	9.80	-63.20
C[NH+]1CCC(OCC(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300005186498	0	49	0.0	-73.48	390.77	7.40	-66.08
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)CC1=CC=CN=C1	REAL300005186503	0	52	0.0	-64.71	407.05	9.00	-55.71
CCC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005186701	0	51	0.0	-61.41	388.06	8.29	-53.12
CCC[N@H+]1CCCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005186701	1	51	0.0	-63.53	394.59	8.34	-55.19
CC(C)C[N@@H+]1CCCC1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005186733	0	51	0.0	-52.51	395.83	8.52	-43.99
CC(C)C[N@H+]1CCCC1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005186733	1	51	0.0	-53.62	389.78	8.00	-45.62
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)CC1=CC=CN=C1	REAL300005186734	0	49	0.0	-51.20	378.10	4.56	-46.64
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)CC1=CC=CN=C1	REAL300005186842	0	56	0.0	-68.87	439.72	10.80	-58.07
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)CC1=CC=CN=C1	REAL300005186842	1	56	0.0	-52.48	430.48	10.83	-41.65
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)CC1=CC=CN=C1	REAL300005186887	1	55	0.0	-52.60	417.05	10.38	-42.22
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)CC1=CC=CN=C1	REAL300005186887	1	55	0.0	-63.69	426.48	10.38	-53.31
CC(C)[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005186978	0	51	0.0	-55.37	376.93	8.27	-47.10
CC(C)[N@H+]1CCCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005186978	1	51	0.0	-62.07	389.75	8.12	-53.95
C[N@@H+]1CC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005186979	0	45	0.0	-70.81	368.22	7.01	-63.80
C[N@H+]1CC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005186979	1	45	0.0	-64.16	356.23	6.98	-57.18
CC1=C(C)[NH+]=C(CCC(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])N1	REAL300005187004	1	46	0.0	-55.11	381.10	6.64	-48.47
C[NH+](C)CCC1=CC=CC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300005187513	0	51	0.0	-76.70	411.47	9.63	-67.07
C[NH+](C)CCOC1=CC=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300005187521	0	52	0.0	-75.72	418.76	8.59	-67.13
O=C([O-])C(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)CC1=CC=CN=C1	REAL300005187620	0	58	0.0	-61.50	440.61	11.26	-50.24
CC1CN(CC2=CC=C(C(=O)NCC(CC3=CC=CN=C3)C(=O)[O-])C=C2)CCO1	REAL300005187622	0	56	0.0	-68.86	426.49	9.08	-59.78
CC1C[N@H+](CC2=CC=C(C(=O)NCC(CC3=CC=CN=C3)C(=O)[O-])C=C2)CCO1	REAL300005187622	1	56	0.0	-74.05	436.42	9.01	-65.04
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(CC3=CC=CN=C3)C(=O)[O-])C=C2)CCO1	REAL300005187622	1	56	0.0	-74.05	436.42	9.01	-65.04
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005187667	0	45	0.0	-59.94	360.58	7.07	-52.87
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300005187671	0	51	0.0	-58.15	373.23	8.12	-50.03
CC1=[NH+]C=C2C=CC(C(=O)NCC(CC3=CC=CN=C3)C(=O)[O-])=CN21	REAL300005187675	0	43	0.0	-58.37	352.48	8.58	-49.79
CC(C)C[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005187742	0	54	0.0	-48.46	396.31	9.23	-39.23
CC(C)C[N@H+]1CCCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005187742	1	54	0.0	-51.75	395.82	9.23	-42.52
CC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005187743	0	48	0.0	-59.72	366.85	7.80	-51.92
CC[N@H+]1CCCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005187743	1	48	0.0	-53.86	360.26	7.75	-46.11
C[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005187747	0	45	0.0	-60.66	349.19	7.15	-53.51
C[N@H+]1CCCC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005187747	1	45	0.0	-55.73	349.15	7.18	-48.55
C[NH+](C)CC1=CC=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300005187749	1	45	0.0	-65.31	365.48	7.12	-58.19
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005187755	0	54	0.0	-62.47	383.28	8.09	-54.38
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C1	REAL300005187755	1	54	0.0	-62.22	390.93	8.55	-53.67
O=C([O-])C(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)CC1=CC=CN=C1	REAL300005187758	1	47	0.0	-49.71	361.57	8.89	-40.82
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300005188764	0	54	0.0	-72.86	406.78	8.39	-64.47
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300005189326	0	51	0.0	-52.82	383.06	7.41	-45.41
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300005189326	1	51	0.0	-58.40	384.04	8.33	-50.07
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300005190166	0	48	0.0	-66.70	360.69	7.17	-59.53
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300005190191	0	45	0.0	-52.94	342.72	6.51	-46.43
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300005190191	1	45	0.0	-55.29	335.65	5.27	-50.02
CC1=[NH+]C=C2CCC(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])CC3)CN12	REAL300005190197	1	46	0.0	-54.83	356.08	6.84	-47.99
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300005190198	0	54	0.0	-55.98	405.77	9.14	-46.84
C[N@@H+]1CCCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190278	0	44	0.0	-57.41	319.08	4.52	-52.89
C[N@H+]1CCCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190278	1	44	0.0	-58.22	319.65	5.48	-52.74
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300005190279	1	49	0.0	-62.20	356.42	3.85	-58.35
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190319	0	44	0.0	-54.39	327.81	5.79	-48.60
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190319	1	44	0.0	-55.56	316.06	4.35	-51.21
C[NH+]1CCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005190406	0	44	0.0	-69.44	330.60	4.87	-64.57
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300005190436	0	39	0.0	-62.59	321.73	6.70	-55.89
C[NH+](C)CC1(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CCCCC1	REAL300005190470	0	53	0.0	-62.13	362.67	7.62	-54.51
C[N@H+](CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1CCCCC1	REAL300005190475	0	53	0.0	-61.62	385.43	6.97	-54.65
C[N@@H+](CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1CCCCC1	REAL300005190475	1	53	0.0	-61.94	385.64	7.92	-54.02
C[N@@H+]1CCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190492	0	41	0.0	-55.95	310.23	5.04	-50.91
C[N@H+]1CCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190492	1	41	0.0	-56.49	306.20	4.72	-51.77
C[NH+]1CCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005190548	0	44	0.0	-69.44	330.60	4.87	-64.57
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300005190552	0	47	0.0	-68.08	376.35	5.63	-62.45
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300005190572	0	54	0.0	-53.32	376.84	7.76	-45.56
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300005190572	1	54	0.0	-52.82	379.10	7.03	-45.79
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300005190573	0	55	0.0	-66.00	398.41	6.43	-59.57
CC1=[NH+]C=CN1CCCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190609	1	45	0.0	-58.43	357.99	6.28	-52.15
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300005190610	1	51	0.0	-65.63	385.49	5.90	-59.73
CC[N@H+](CC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C=C1)C(C)C	REAL300005190613	0	56	0.0	-62.94	409.42	8.79	-54.15
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C=C1)C(C)C	REAL300005190613	1	56	0.0	-63.75	403.22	7.63	-56.12
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190616	0	41	0.0	-55.14	305.42	3.87	-51.27
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190616	1	41	0.0	-55.56	309.42	5.14	-50.42
C[NH+](C)C1(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005190625	0	41	0.0	-62.21	305.68	3.75	-58.46
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005190671	0	51	0.0	-61.52	386.39	7.58	-53.94
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005190671	1	51	0.0	-65.42	391.16	8.38	-57.04
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300005190672	0	52	0.0	-67.93	390.69	7.99	-59.94
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300005190696	0	55	0.0	-61.52	384.27	6.12	-55.40
CCC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+](CC)CC	REAL300005190700	0	49	0.0	-52.91	349.72	6.47	-46.44
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300005190702	0	50	0.0	-57.13	377.92	7.20	-49.93
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300005190702	1	50	0.0	-57.91	379.75	7.27	-50.64
C[NH+](C)CC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C=N1	REAL300005190735	0	46	0.0	-69.42	359.60	4.53	-64.89
CCC[NH+](CCC)CCCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190741	0	55	0.0	-62.61	405.31	8.24	-54.37
CC[N@H+](C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300005190742	0	50	0.0	-52.92	374.54	7.23	-45.69
CC[N@@H+](C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300005190742	1	50	0.0	-51.08	374.86	7.22	-43.86
C[N@@H+]1CCOC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005190744	1	42	0.0	-81.50	322.48	4.28	-77.22
C[N@H+]1CCOC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005190744	1	42	0.0	-55.44	312.04	3.38	-52.06
CC[NH+](CC)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300005190746	0	53	0.0	-55.56	381.72	8.37	-47.19
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190755	1	45	0.0	-54.79	353.28	6.93	-47.86
C[NH+](C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300005190760	1	47	0.0	-56.55	371.85	7.07	-49.48
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300005190773	0	51	0.0	-65.68	390.01	8.48	-57.20
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300005190780	0	54	0.0	-63.14	405.87	8.36	-54.78
CCC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[N@@H+]1CCOC(CC)C1	REAL300005190782	1	54	0.0	-55.14	385.66	5.36	-49.78
CCC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[N@H+]1CCOC(CC)C1	REAL300005190782	1	54	0.0	-55.89	385.45	6.12	-49.77
C[NH+](C)CC1(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005190784	0	44	0.0	-59.71	335.78	4.88	-54.83
C[NH+](C)CCCCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190793	0	46	0.0	-63.47	352.38	5.50	-57.97
CC(C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+](C)C	REAL300005190802	0	46	0.0	-55.59	330.18	4.90	-50.69
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300005190815	0	54	0.0	-54.93	404.49	9.33	-45.60
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300005190815	1	54	0.0	-55.14	393.21	8.94	-46.20
CC1=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300005190817	1	45	0.0	-68.25	362.37	5.78	-62.47
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300005190825	0	54	0.0	-66.78	407.33	9.21	-57.57
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300005190838	1	47	0.0	-68.41	368.07	5.74	-62.67
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C=C1	REAL300005190839	0	50	0.0	-67.96	388.56	8.25	-59.71
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190850	1	43	0.0	-51.85	339.72	3.96	-47.89
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300005190852	1	52	0.0	-63.15	389.73	6.96	-56.19
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300005190852	1	52	0.0	-62.83	389.39	6.95	-55.88
CCC[N@H+](C)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190861	0	43	0.0	-59.24	326.44	5.67	-53.57
CCC[N@@H+](C)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190861	1	43	0.0	-58.27	325.89	4.71	-53.56
C[N@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1CCC1	REAL300005190883	0	44	0.0	-55.99	332.80	5.28	-50.71
C[N@@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1CCC1	REAL300005190883	1	44	0.0	-56.99	333.70	6.17	-50.82
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+]1CCSCC1	REAL300005190907	1	45	0.0	-58.21	344.93	6.17	-52.04
C[N@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)CC(C)(C)C	REAL300005190912	0	49	0.0	-58.65	355.06	6.66	-51.99
C[N@@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)CC(C)(C)C	REAL300005190912	1	49	0.0	-58.42	357.25	6.74	-51.68
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190914	0	50	0.0	-63.23	386.61	8.62	-54.61
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190914	1	50	0.0	-62.35	386.15	7.77	-54.58
COCCOCC[N@H+](C)CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190915	0	54	0.0	-62.66	415.38	4.93	-57.73
COCCOCC[N@@H+](C)CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190915	1	54	0.0	-62.96	415.41	4.94	-58.02
CC[C@@H](C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+](C)C	REAL300005190919	0	43	0.0	-59.06	311.03	4.11	-54.95
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005190921	0	48	0.0	-56.53	347.48	3.50	-53.03
C[N@H+]1CCCC(O)(CC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005190921	1	48	0.0	-61.02	344.93	4.54	-56.48
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300005190942	1	53	0.0	-60.34	391.12	6.36	-53.98
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300005190942	1	53	0.0	-60.70	391.03	6.36	-54.34
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300005190943	1	53	0.0	-57.96	399.38	7.66	-50.30
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300005190943	1	53	0.0	-66.42	391.39	7.22	-59.20
CCCCCC[N@H+](C)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190945	0	52	0.0	-59.57	390.73	7.08	-52.49
CCCCCC[N@@H+](C)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005190945	1	52	0.0	-60.41	391.19	7.94	-52.47
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300005190955	0	45	0.0	-53.80	324.49	4.65	-49.15
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300005190963	1	39	0.0	-63.48	321.79	7.59	-55.89
C[N@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1CCSC1	REAL300005190976	0	45	0.0	-63.53	346.15	5.53	-58.00
C[N@@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1CCSC1	REAL300005190976	1	45	0.0	-63.72	346.51	6.51	-57.21
CC(C)[NH+]1CCN(CCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005190993	0	55	0.0	-60.29	402.02	4.51	-55.78
CC(C)N1CC[NH+](CCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005190993	1	55	0.0	-61.51	399.18	4.38	-57.13
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005190994	0	58	0.0	-60.69	424.07	6.29	-54.40
CC(C)N1CC[NH+](CCCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005190994	1	58	0.0	-62.66	423.26	5.32	-57.34
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300005190995	0	48	0.0	-55.77	352.21	6.91	-48.86
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300005190995	1	48	0.0	-51.74	351.27	5.99	-45.75
C[NH+](C)CCN1C=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C=N1	REAL300005190997	0	47	0.0	-71.77	369.46	4.54	-67.23
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300005191008	0	53	0.0	-66.99	393.16	6.71	-60.28
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300005191008	1	53	0.0	-64.39	402.56	7.52	-56.87
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005191013	0	51	0.0	-57.54	383.85	8.57	-48.97
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005191013	1	51	0.0	-69.72	383.15	8.36	-61.36
CCC(CC)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300005191031	1	57	0.0	-54.80	389.04	6.42	-48.38
CCCC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+](C)C	REAL300005191032	0	46	0.0	-58.74	338.28	6.07	-52.67
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005191033	0	54	0.0	-65.36	410.31	9.47	-55.89
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005191033	1	54	0.0	-65.63	412.48	8.62	-57.01
C[NH+](C)CCN1C=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=N1	REAL300005191048	0	47	0.0	-70.53	369.28	6.03	-64.50
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191049	0	47	0.0	-59.78	364.31	5.21	-54.57
C[C@@H]1[C@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC[N@@H+]1C	REAL300005191052	0	44	0.0	-63.59	322.85	4.38	-59.21
C[C@@H]1[C@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC[N@H+]1C	REAL300005191052	1	44	0.0	-62.86	329.57	5.68	-57.18
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191054	1	48	0.0	-54.97	373.18	7.54	-47.43
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC[N@@H+]1C	REAL300005191057	0	47	0.0	-61.97	339.48	4.87	-57.10
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC[N@H+]1C	REAL300005191057	1	47	0.0	-59.49	344.57	5.31	-54.18
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=NN1	REAL300005191059	1	48	0.0	-67.70	364.97	4.20	-63.50
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=NN1	REAL300005191059	1	48	0.0	-70.28	362.87	5.08	-65.20
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191060	1	43	0.0	-54.34	332.09	5.08	-49.26
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191060	1	43	0.0	-59.08	338.87	5.51	-53.57
CC1C[N@H+](C)CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)O1	REAL300005191066	1	45	0.0	-66.11	334.33	4.28	-61.83
CC1C[N@@H+](C)CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)O1	REAL300005191066	1	45	0.0	-74.46	334.15	3.90	-70.56
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300005191073	1	50	0.0	-53.20	384.59	7.12	-46.08
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300005191073	1	50	0.0	-63.63	385.85	6.05	-57.58
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300005191076	0	41	0.0	-58.23	311.39	5.37	-52.86
CC1=[NH+]C=CN1CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191078	1	39	0.0	-56.47	315.86	5.75	-50.72
CC(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191080	0	48	0.0	-61.70	356.70	3.91	-57.79
CC1CC[NH+](CC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005191099	0	47	0.0	-59.06	350.12	6.76	-52.30
CC[N@@H+]1CCOC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005191110	1	45	0.0	-62.42	338.86	5.22	-57.20
CC[N@H+]1CCOC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005191110	1	45	0.0	-61.67	338.35	4.24	-57.43
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300005191147	0	54	0.0	-58.54	388.89	8.06	-50.48
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300005191147	1	54	0.0	-61.23	388.89	7.91	-53.32
C[N@@H+]1CCCC1CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191153	0	47	0.0	-62.85	354.59	6.80	-56.05
C[N@H+]1CCCC1CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191153	1	47	0.0	-75.01	353.38	6.42	-68.59
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300005191166	0	48	0.0	-62.29	335.58	5.03	-57.26
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191168	0	45	0.0	-62.56	326.61	1.01	-61.55
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191168	1	45	0.0	-59.46	325.79	1.44	-58.02
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300005191169	0	48	0.0	-59.39	347.20	6.68	-52.71
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300005191169	1	48	0.0	-52.85	351.82	6.94	-45.91
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191176	0	51	0.0	-56.34	360.26	4.82	-51.52
CC[NH+](CC)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191192	0	43	0.0	-56.31	323.00	4.68	-51.63
CC(C)[NH+]1CCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005191194	0	50	0.0	-66.50	361.26	5.83	-60.67
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1	REAL300005191275	0	42	0.0	-61.98	310.66	3.56	-58.42
CCC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+](C)C	REAL300005191278	0	43	0.0	-56.82	317.37	5.31	-51.51
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300005191286	0	45	0.0	-62.40	321.29	4.21	-58.19
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300005191286	1	45	0.0	-62.74	317.74	4.06	-58.68
CC1CCC(C)[NH+]1CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191331	0	47	0.0	-56.78	334.87	5.90	-50.88
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=C1	REAL300005191332	0	47	0.0	-63.70	365.24	7.45	-56.25
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005191333	0	54	0.0	-59.47	407.17	8.41	-51.06
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005191333	1	54	0.0	-65.56	399.48	8.56	-57.00
C[NH+](C)C1(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CCC1	REAL300005191371	0	44	0.0	-55.56	312.40	5.06	-50.50
C#CC[NH+]1CCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005191400	0	46	0.0	-71.86	356.57	6.96	-64.90
CCC[N@@H+]1CCCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191402	0	50	0.0	-54.24	367.17	7.22	-47.02
CCC[N@H+]1CCCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191402	1	50	0.0	-53.33	367.11	7.27	-46.06
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191403	0	47	0.0	-51.42	361.73	7.35	-44.07
CC[NH+]1CCN(CCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005191405	0	52	0.0	-62.01	384.78	3.97	-58.04
CCN1CC[NH+](CCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005191405	1	52	0.0	-61.72	385.12	3.98	-57.74
CC(C)[N@H+](C)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191406	0	43	0.0	-56.53	321.65	5.47	-51.06
CC(C)[N@@H+](C)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191406	1	43	0.0	-55.50	321.08	4.50	-51.00
CC(C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300005191407	0	53	0.0	-54.40	367.40	6.69	-47.71
C[NH+](C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300005191408	1	47	0.0	-55.63	358.20	6.57	-49.06
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005191412	0	52	0.0	-58.91	398.74	5.67	-53.24
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005191412	1	52	0.0	-62.16	393.51	4.79	-57.37
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191417	1	48	0.0	-54.75	372.68	7.47	-47.28
C[NH+](C)CC1=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300005191419	0	50	0.0	-59.49	383.20	7.94	-51.55
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300005191425	0	51	0.0	-53.99	357.42	6.56	-47.43
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300005191425	1	51	0.0	-60.18	371.94	7.58	-52.60
CC[N@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1CC1	REAL300005191427	0	44	0.0	-55.12	335.82	6.30	-48.82
CC[N@@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)C1CC1	REAL300005191427	1	44	0.0	-57.56	328.58	6.18	-51.38
CC(C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300005191454	1	57	0.0	-57.82	409.50	6.49	-51.33
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+]1CCCCCC1	REAL300005191455	0	50	0.0	-54.16	351.64	6.63	-47.53
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191459	0	41	0.0	-55.66	309.72	5.06	-50.60
C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191459	1	41	0.0	-57.65	305.68	4.78	-52.87
CC(C)(C)[NH2+]CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191542	0	43	0.0	-58.03	326.18	3.99	-54.04
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)O1	REAL300005191544	0	50	0.0	-60.67	382.77	6.39	-54.28
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300005191545	0	50	0.0	-62.12	377.60	6.64	-55.48
CC1=CC=C(N2CCC(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300005191547	1	53	0.0	-58.63	401.11	7.28	-51.35
C[N@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300005191548	1	47	0.0	-62.94	364.13	7.78	-55.16
C[N@@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300005191548	1	47	0.0	-61.63	363.32	6.89	-54.74
CC(C)[C@@H](C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1)[NH+](C)C	REAL300005191559	0	46	0.0	-62.73	326.99	5.86	-56.87
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300005191577	1	42	0.0	-67.66	344.63	5.40	-62.26
C[NH+](C)CC1=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=NO1	REAL300005191605	1	43	0.0	-70.55	343.72	5.56	-64.99
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191609	0	54	0.0	-61.57	407.25	9.35	-52.22
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191609	1	54	0.0	-62.47	407.04	8.24	-54.23
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191622	0	47	0.0	-53.80	341.65	5.22	-48.58
CC(C)[N@H+]1CCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191622	1	47	0.0	-55.69	337.75	6.64	-49.05
C[NH+]1CCC(OCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005191645	0	48	0.0	-66.43	367.15	6.43	-60.00
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300005191649	0	51	0.0	-68.75	389.48	7.72	-61.03
CCC[N@@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005191835	0	50	0.0	-54.54	360.94	6.30	-48.24
CCC[N@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005191835	1	50	0.0	-58.99	369.84	6.24	-52.75
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191866	0	50	0.0	-54.89	368.19	7.18	-47.71
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005191866	1	50	0.0	-56.01	358.52	7.41	-48.60
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300005191867	0	48	0.0	-61.24	360.70	2.50	-58.74
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192092	0	50	0.0	-60.25	358.08	7.07	-53.18
CC(C)[N@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192092	1	50	0.0	-53.82	356.40	6.12	-47.70
C[N@@H+]1CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300005192093	0	44	0.0	-66.59	338.10	4.70	-61.89
C[N@H+]1CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300005192093	1	44	0.0	-65.53	346.79	4.85	-60.68
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)N1	REAL300005192119	1	45	0.0	-55.20	358.19	4.69	-50.51
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=C1	REAL300005192603	0	50	0.0	-65.07	387.74	8.29	-56.78
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C=C1	REAL300005192610	0	51	0.0	-65.49	393.37	6.24	-59.25
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192746	0	44	0.0	-62.22	336.20	5.06	-57.16
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)CC1	REAL300005192750	0	50	0.0	-58.76	356.10	6.66	-52.10
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])CC3)=CN12	REAL300005192754	0	42	0.0	-55.64	343.11	7.31	-48.33
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192815	0	53	0.0	-54.78	378.11	7.68	-47.10
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192815	1	53	0.0	-64.35	387.98	7.81	-56.54
CC[N@@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192816	0	47	0.0	-58.98	339.93	6.34	-52.64
CC[N@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192816	1	47	0.0	-55.05	339.94	6.54	-48.51
C[N@@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192821	0	44	0.0	-62.60	331.89	5.75	-56.85
C[N@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192821	1	44	0.0	-54.31	321.01	4.72	-49.59
C[NH+](C)CC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)O1	REAL300005192823	1	44	0.0	-69.64	347.89	5.85	-63.79
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192829	0	53	0.0	-62.02	370.54	6.68	-55.34
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C1	REAL300005192829	1	53	0.0	-69.73	361.63	5.49	-64.24
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300005192832	1	46	0.0	-53.33	340.69	6.26	-47.07
O=C([O-])C1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=C1	REAL300005192865	0	43	0.0	-73.89	344.12	6.50	-67.39
O=C([O-])COC1=CC=CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1	REAL300005192866	0	47	0.0	-79.02	375.21	6.76	-72.26
O=C([O-])C1=CC=CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1	REAL300005192867	0	43	0.0	-82.26	344.14	6.50	-75.76
O=C([O-])C1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)S1	REAL300005192868	0	40	0.0	-68.84	338.42	5.66	-63.18
O=C([O-])C1=CC=CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=N1	REAL300005192869	0	42	0.0	-68.28	342.24	4.77	-63.51
CC(SC1=CC=CC=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300005192870	0	50	0.0	-80.07	396.69	8.27	-71.80
CCOC1=CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=CC=C1OCC(=O)[O-]	REAL300005192871	0	54	0.0	-78.56	426.20	7.46	-71.10
O=C([O-])C1=CC=C(CCC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=C1	REAL300005192872	0	49	0.0	-77.87	390.20	7.96	-69.91
O=C([O-])C1=CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=CC=N1	REAL300005192873	0	42	0.0	-84.10	340.22	4.73	-79.37
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192874	0	47	0.0	-77.25	378.65	7.69	-69.56
O=C([O-])C1=CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=CC([N+](=O)[O-])=C1	REAL300005192875	0	45	0.0	-63.31	372.29	7.17	-56.14
O=C([O-])C1=CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=CC([N+](=O)[O-])=C1	REAL300005192876	0	45	0.0	-63.31	372.29	7.17	-56.14
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1	REAL300005192877	0	50	0.0	-77.97	402.33	7.52	-70.45
O=C([O-])C1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)O1	REAL300005192878	0	40	0.0	-66.26	330.56	4.89	-61.37
O=C([O-])C1=CC=CC=C1CCC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192879	0	49	0.0	-73.90	381.55	7.71	-66.19
CC1=CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300005192880	0	53	0.0	-75.23	419.23	8.34	-66.89
O=C([O-])C1=CC(CC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=CC=C1	REAL300005192881	0	46	0.0	-81.61	368.80	7.16	-74.45
O=C([O-])C1CCCC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300005192882	0	49	0.0	-80.97	363.73	6.58	-74.39
O=C([O-])C1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=N1	REAL300005192883	0	42	0.0	-74.23	340.00	4.71	-69.52
O=C([O-])C1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)N=C1	REAL300005192884	0	42	0.0	-66.36	341.53	4.77	-61.59
CC(C)(CC(=O)[O-])CC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192885	0	48	0.0	-72.22	353.29	5.92	-66.30
O=C([O-])C1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(F)=C1	REAL300005192886	0	43	0.0	-73.53	348.65	6.57	-66.96
O=C([O-])C1=CN=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=N1	REAL300005192887	0	41	0.0	-68.11	337.12	2.91	-65.20
O=C([O-])[C@H]1CC[C@H](C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300005192888	0	49	0.0	-73.52	370.25	6.72	-66.80
O=C([O-])C1CCC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300005192889	0	49	0.0	-73.50	370.26	6.73	-66.77
O=C([O-])C1=CC=C(CC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=C1	REAL300005192890	0	46	0.0	-82.53	368.80	7.17	-75.36
O=C([O-])C1=CN(CC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)N=N1	REAL300005192891	0	42	0.0	-84.51	345.95	3.15	-81.36
CC1=NC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=CC=C1C(=O)[O-]	REAL300005192892	0	45	0.0	-66.20	357.80	5.28	-60.92
O=C([O-])C1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=C1	REAL300005192893	0	43	0.0	-73.89	344.12	6.50	-67.39
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300005192894	0	46	0.0	-78.17	351.36	6.00	-72.17
O=C([O-])CC1=CC=CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1	REAL300005192895	0	46	0.0	-76.90	366.31	7.26	-69.64
O=C([O-])CC1=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=CO1	REAL300005192896	0	43	0.0	-77.34	346.58	5.41	-71.93
CC1=COC(CC(=O)[O-])=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192897	0	46	0.0	-66.71	373.43	6.03	-60.68
O=C([O-])C1=CC=NC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1	REAL300005192898	0	42	0.0	-72.58	341.72	4.79	-67.79
O=C([O-])C12CC(C(=O)NC3CCN(C4=CC=[NH+]C=C4)CC3)(C1)C2	REAL300005192899	0	44	0.0	-72.45	347.56	6.06	-66.39
O=C([O-])C1(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCC1	REAL300005192900	0	43	0.0	-63.07	330.91	5.48	-57.59
O=C([O-])C1CCC(CC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300005192901	0	52	0.0	-77.95	388.92	7.43	-70.52
O=C([O-])C12CCC(C(=O)NC3CCN(C4=CC=[NH+]C=C4)CC3)(CC1)C2	REAL300005192902	0	50	0.0	-80.05	378.10	6.87	-73.18
O=C([O-])C12CCC(C(=O)NC3CCN(C4=CC=[NH+]C=C4)CC3)(CC1)CC2	REAL300005192903	0	53	0.0	-75.05	387.70	7.39	-67.66
CC(C)(CC(=O)[O-])CC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192904	0	48	0.0	-72.22	353.29	5.92	-66.30
CC(CC(=O)[O-])CC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192905	0	45	0.0	-74.48	343.54	5.55	-68.93
O=C([O-])C1=C2N=CC=C(C(=O)NC3CCN(C4=CC=[NH+]C=C4)CC3)N2N=C1	REAL300005192906	0	45	0.0	-79.00	365.99	5.80	-73.20
O=C([O-])CC1=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)NC2=CC=CC=C21	REAL300005192907	0	50	0.0	-82.32	396.28	7.20	-75.12
O=C([O-])C1=CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=NO1	REAL300005192908	0	39	0.0	-64.27	325.00	4.06	-60.21
O=C([O-])C1(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300005192909	0	46	0.0	-65.59	345.93	6.10	-59.49
O=C([O-])C1=CC=C2CCCC(CC(=O)NC3CCN(C4=CC=[NH+]C=C4)CC3)C2=C1	REAL300005192910	0	56	0.0	-74.91	422.62	9.37	-65.54
CC1=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=C(C(=O)[O-])O1	REAL300005192911	0	43	0.0	-69.80	347.26	5.64	-64.16
CC1=C(C(=O)[O-])OC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1	REAL300005192912	0	43	0.0	-66.85	348.48	5.46	-61.39
O=C([O-])C1=CN(CC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)N=C1	REAL300005192913	0	43	0.0	-81.12	350.87	4.64	-76.48
O=C([O-])C=CC1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)O1	REAL300005192914	0	44	0.0	-69.32	363.68	6.08	-63.24
O=C([O-])C1(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC2(CCC2)C1	REAL300005192915	0	50	0.0	-63.53	375.27	7.19	-56.34
O=C([O-])COC1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=C1	REAL300005192916	0	47	0.0	-73.27	375.13	6.79	-66.48
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300005192917	0	52	0.0	-81.55	412.26	7.05	-74.50
O=C([O-])CSCCC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192918	0	43	0.0	-71.27	353.96	5.68	-65.59
O=C([O-])C1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)N=C1	REAL300005192919	0	42	0.0	-66.36	341.53	4.77	-61.59
CN1N=C(C(=O)[O-])C=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192920	0	43	0.0	-74.05	346.48	4.17	-69.88
C[C@@H]1C[C@H](C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)O[C@H]1C(=O)[O-]	REAL300005192921	0	47	0.0	-79.88	366.39	5.99	-73.89
CC(C)(CCC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192922	0	48	0.0	-77.31	362.10	6.05	-71.26
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O=C([O-])CCC1=CC=CC=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192926	0	49	0.0	-78.81	379.49	8.04	-70.77
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O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300005192929	0	46	0.0	-78.17	351.36	6.00	-72.17
CC1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=C1C(=O)[O-]	REAL300005192930	0	46	0.0	-81.77	360.12	7.03	-74.74
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CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192932	0	45	0.0	-64.96	355.57	5.36	-59.60
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O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)O1	REAL300005192936	0	50	0.0	-80.40	387.95	6.44	-73.96
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CC1=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)OC(C(=O)[O-])=C1	REAL300005192939	0	43	0.0	-66.76	348.37	5.57	-61.19
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CC(C)C(C(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192941	0	45	0.0	-65.50	345.00	5.50	-60.00
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192942	0	49	0.0	-76.67	357.51	7.25	-69.42
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O=C([O-])C1(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC1C1=CC=CC=C1	REAL300005192944	0	50	0.0	-60.73	384.13	8.31	-52.42
O=C([O-])CC1=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)NC2=CC=CC=C21	REAL300005192945	0	50	0.0	-82.32	396.28	7.20	-75.12
O=C([O-])C1=CN(CC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C2=CC=CC=C12	REAL300005192946	0	50	0.0	-91.19	402.15	8.63	-82.56
O=C([O-])C1CC12CC(C(=O)NC1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300005192947	0	47	0.0	-74.67	365.21	6.83	-67.84
O=C([O-])[C@H]1C[C@@H](C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300005192948	0	43	0.0	-76.47	335.88	5.48	-70.99
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192949	0	49	0.0	-77.19	377.39	7.54	-69.65
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192950	0	46	0.0	-67.92	360.16	7.17	-60.75
CC1(C(=O)[O-])CC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300005192951	0	46	0.0	-68.70	353.30	5.90	-62.80
O=C([O-])C1=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=CS1	REAL300005192952	0	40	0.0	-81.92	331.91	6.43	-75.49
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CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192954	0	45	0.0	-72.63	349.80	5.27	-67.36
CCCC(C(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192955	0	45	0.0	-62.84	345.24	5.78	-57.06
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192956	0	46	0.0	-73.92	360.14	7.17	-66.75
O=C([O-])C1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(Cl)=C1	REAL300005192957	0	43	0.0	-72.20	356.60	7.00	-65.20
O=C([O-])C1CC2(C1)CC(C(=O)NC1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300005192958	0	50	0.0	-75.22	385.06	7.34	-67.88
COC1=CC(C(=O)[O-])=NC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1	REAL300005192959	0	46	0.0	-65.89	371.97	4.10	-61.79
CN1C(C(=O)[O-])=CC=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192960	0	44	0.0	-73.95	346.68	5.71	-68.24
O=C([O-])C1(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC=CC1	REAL300005192961	0	44	0.0	-65.55	340.61	6.03	-59.52
O=C([O-])CCC1=CC=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=C1	REAL300005192962	0	49	0.0	-72.63	387.71	8.07	-64.56
CC1=NNC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1C(=O)[O-]	REAL300005192963	0	43	0.0	-77.19	339.65	4.31	-72.88
O=C([O-])CC1(CC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300005192964	0	46	0.0	-69.72	355.68	6.23	-63.49
O=C([O-])C1C(F)(F)C12CC(C(=O)NC1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300005192965	0	47	0.0	-72.52	378.20	7.00	-65.52
O=C([O-])C1=NC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=CS1	REAL300005192966	0	39	0.0	-64.88	333.79	3.64	-61.24
C[C@]1(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C[C@H]1C(=O)[O-]	REAL300005192967	0	43	0.0	-78.83	339.49	5.44	-73.39
CC1=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=C(C(=O)[O-])S1	REAL300005192968	0	43	0.0	-67.92	353.38	6.34	-61.58
O=C([O-])C1=CC2=C(S1)SC(C(=O)NC1CCN(C3=CC=[NH+]C=C3)CC1)=C2	REAL300005192969	0	43	0.0	-73.83	373.94	7.08	-66.75
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1	REAL300005192970	0	47	0.0	-75.81	381.84	6.18	-69.63
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192971	0	46	0.0	-67.39	368.06	6.78	-60.61
O=C([O-])C1=C2C=C(C(=O)NC3CCN(C4=CC=[NH+]C=C4)CC3)SC2=CC=C1	REAL300005192972	0	46	0.0	-82.03	379.29	7.77	-74.26
O=C([O-])C1=NC=CC=C1CCC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192973	0	48	0.0	-78.30	377.70	5.95	-72.35
O=C([O-])C12CC(C(=O)NC3CCN(C4=CC=[NH+]C=C4)CC3)(C1)OC2	REAL300005192974	0	45	0.0	-68.90	354.45	4.05	-64.85
O=C(/C=C/C1=CC=C(C(=O)[O-])C=C1)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192975	0	47	0.0	-77.23	378.64	7.69	-69.54
CC1CC1(C(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192976	0	43	0.0	-62.79	334.89	5.66	-57.13
O=C([O-])C1(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC2(CCC2)C1	REAL300005192977	0	50	0.0	-63.53	375.27	7.19	-56.34
CN1N=CC(C(=O)[O-])=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192978	0	43	0.0	-75.09	350.03	3.93	-71.16
O=C([O-])C1=CSC2=C1NC(C(=O)NC1CCN(C3=CC=[NH+]C=C3)CC1)=C2	REAL300005192979	0	44	0.0	-68.67	369.29	5.51	-63.16
O=C([O-])C1=CC2=C(C=C(C(=O)NC3CCN(C4=CC=[NH+]C=C4)CC3)N2)S1	REAL300005192980	0	44	0.0	-74.56	369.48	5.65	-68.91
O=C([O-])C1=COC2=C1NC(C(=O)NC1CCN(C3=CC=[NH+]C=C3)CC1)=C2	REAL300005192981	0	44	0.0	-69.35	360.65	4.65	-64.70
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192982	0	46	0.0	-79.19	354.28	7.06	-72.13
O=C(C=CC1=CC=C(C(=O)[O-])N=C1)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192983	0	46	0.0	-79.00	374.43	5.89	-73.11
C=C1CCC1(C(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192984	0	44	0.0	-64.58	344.32	5.97	-58.61
O=C([O-])C1=CSC(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1	REAL300005192985	0	40	0.0	-77.84	337.34	5.52	-72.32
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192986	0	48	0.0	-74.83	364.62	4.78	-70.05
O=C([O-])C1=CC=CC2=C(C(=O)NC3CCN(C4=CC=[NH+]C=C4)CC3)C=CC=C12	REAL300005192987	0	49	0.0	-78.91	380.13	8.57	-70.34
CC(C)[C@]1(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C[C@H]1C(=O)[O-]	REAL300005192988	0	49	0.0	-71.01	374.34	7.29	-63.72
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192989	0	49	0.0	-83.67	385.51	7.63	-76.04
O=C([O-])C1=CSC(CC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)=C1	REAL300005192990	0	43	0.0	-80.44	360.35	6.30	-74.14
O=C([O-])C1=CC=C(CC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C=C1F	REAL300005192991	0	46	0.0	-85.09	373.35	7.18	-77.91
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300005192992	0	46	0.0	-72.55	350.78	6.03	-66.52
O=C([O-])C1=C2CCCCC2=C(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)S1	REAL300005192993	0	50	0.0	-70.33	393.13	8.03	-62.30
O=C([O-])C12CCC(C(=O)NC3CCN(C4=CC=[NH+]C=C4)CC3)(CC1)CC2	REAL300005192994	0	53	0.0	-75.05	387.70	7.39	-67.66
CC(C)C1CCC(C)CC1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005193142	0	58	0.0	-46.96	401.42	9.67	-37.29
CC(C)C1CCC(C)CC1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005193142	1	58	0.0	-47.45	404.64	9.70	-37.75
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3=CC=CC=C3C2)C1	REAL300005193264	0	50	0.0	-50.07	372.50	9.74	-40.33
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3=CC=CC=C3C2)C1	REAL300005193264	1	50	0.0	-49.36	371.26	9.69	-39.67
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193309	0	48	0.0	-67.72	386.73	5.57	-62.15
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193309	1	48	0.0	-64.71	388.03	4.30	-60.41
CO[C@@H]1C[C@H](CNC(=O)C2=CC=CC(C(=O)[O-])=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193310	0	48	0.0	-87.81	386.78	5.56	-82.25
CO[C@@H]1C[C@H](CNC(=O)C2=CC=CC(C(=O)[O-])=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193310	1	48	0.0	-80.73	387.24	4.27	-76.46
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])S2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193311	0	45	0.0	-56.49	381.98	4.87	-51.62
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])S2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193311	1	45	0.0	-55.11	383.77	3.68	-51.43
CO[C@@H]1C[C@H](CNC(=O)C2=CC=CC(C(=O)[O-])=N2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193312	0	47	0.0	-66.08	391.07	2.76	-63.32
CO[C@@H]1C[C@H](CNC(=O)C2=CC=CC(C(=O)[O-])=N2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193312	1	47	0.0	-37.14	381.53	2.27	-34.87
CO[C@@H]1C[C@H](CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193313	0	54	0.0	-76.26	433.74	7.18	-69.08
CO[C@@H]1C[C@H](CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193313	1	54	0.0	-74.75	435.18	6.14	-68.61
CO[C@@H]1C[C@H](CNC(=O)C2=CC=NC(C(=O)[O-])=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193314	0	47	0.0	-87.54	383.14	3.85	-83.69
CO[C@@H]1C[C@H](CNC(=O)C2=CC=NC(C(=O)[O-])=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193314	1	47	0.0	-81.39	383.92	2.50	-78.89
CO[C@@H]1C[C@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193315	0	52	0.0	-77.13	422.24	6.85	-70.28
CO[C@@H]1C[C@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193315	1	52	0.0	-75.21	423.72	5.75	-69.46
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])O2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193316	0	45	0.0	-65.03	381.58	3.38	-61.65
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])O2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193316	1	45	0.0	-45.04	376.09	3.02	-42.02
CO[C@@H]1C[C@H](CNC(=O)CCC2=CC=CC=C2C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193317	0	54	0.0	-31.61	419.13	6.49	-25.12
CO[C@@H]1C[C@H](CNC(=O)CCC2=CC=CC=C2C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193317	1	54	0.0	-56.56	425.65	5.51	-51.05
CO[C@@H]1C[C@H](CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193318	0	51	0.0	-85.99	412.34	6.37	-79.62
CO[C@@H]1C[C@H](CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193318	1	51	0.0	-81.42	413.80	5.31	-76.11
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193319	0	45	0.0	-57.57	365.54	3.74	-53.83
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193319	1	45	0.0	-41.32	356.41	4.22	-37.10
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193320	0	45	0.0	-57.57	365.54	3.74	-53.83
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193320	1	45	0.0	-41.32	356.41	4.22	-37.10
CO[C@@H]1C[C@H](CNC(=O)C2CCCC(C(=O)[O-])C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193321	0	54	0.0	-85.97	413.72	5.93	-80.04
CO[C@@H]1C[C@H](CNC(=O)C2CCCC(C(=O)[O-])C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193321	1	54	0.0	-78.43	411.69	4.67	-73.76
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])N=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193322	0	47	0.0	-63.27	382.86	3.84	-59.43
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])N=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193322	1	47	0.0	-61.64	383.60	2.49	-59.15
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=N2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193323	0	47	0.0	-58.35	383.79	2.68	-55.67
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=N2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193323	1	47	0.0	-54.18	387.12	2.87	-51.31
CO[C@@H]1C[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193324	0	53	0.0	-66.24	398.03	4.12	-62.12
CO[C@@H]1C[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193324	1	53	0.0	-71.15	398.28	4.08	-67.07
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193325	0	48	0.0	-69.47	391.09	5.66	-63.81
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193325	1	48	0.0	-65.59	391.67	4.35	-61.24
CO[C@@H]1C[C@H](CNC(=O)C2=CN=C(C(=O)[O-])C=N2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193326	0	46	0.0	-62.19	379.38	0.83	-61.36
CO[C@@H]1C[C@H](CNC(=O)C2=CN=C(C(=O)[O-])C=N2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193326	1	46	0.0	-57.56	382.39	1.01	-56.55
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193327	0	54	0.0	-69.28	412.53	5.87	-63.41
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193327	1	54	0.0	-67.21	414.70	4.56	-62.65
CO[C@@H]1C[C@H](CNC(=O)C2CCC(C(=O)[O-])CC2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193328	0	54	0.0	-71.11	413.80	5.94	-65.17
CO[C@@H]1C[C@H](CNC(=O)C2CCC(C(=O)[O-])CC2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193328	1	54	0.0	-66.60	411.88	4.76	-61.84
CO[C@@H]1C[C@H](CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193329	0	51	0.0	-84.34	419.81	5.65	-78.69
CO[C@@H]1C[C@H](CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193329	1	51	0.0	-84.85	413.26	4.99	-79.86
CO[C@@H]1C[C@H](CNC(=O)CN2C=C(C(=O)[O-])N=N2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193330	0	47	0.0	-91.38	389.55	2.39	-88.99
CO[C@@H]1C[C@H](CNC(=O)CN2C=C(C(=O)[O-])N=N2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193330	1	47	0.0	-84.49	390.41	0.96	-83.53
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C(C)=N2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193331	0	50	0.0	-61.50	404.92	4.55	-56.95
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C(C)=N2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193331	1	50	0.0	-55.43	400.22	3.00	-52.43
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193332	0	48	0.0	-67.72	386.73	5.57	-62.15
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193332	1	48	0.0	-64.71	388.03	4.30	-60.41
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193333	0	51	0.0	-78.23	403.60	4.52	-73.71
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193333	1	51	0.0	-75.62	393.73	3.74	-71.88
CO[C@@H]1C[C@H](CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193334	0	51	0.0	-81.70	408.98	6.34	-75.36
CO[C@@H]1C[C@H](CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193334	1	51	0.0	-73.85	409.49	5.03	-68.82
CO[C@@H]1C[C@H](CNC(=O)C2=C(CC(=O)[O-])OC=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193335	0	48	0.0	-83.12	390.14	4.65	-78.47
CO[C@@H]1C[C@H](CNC(=O)C2=C(CC(=O)[O-])OC=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193335	1	48	0.0	-74.98	390.10	3.23	-71.75
CO[C@@H]1C[C@H](CNC(=O)C2=C(CC(=O)[O-])OC=C2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193336	0	51	0.0	-47.34	413.92	5.01	-42.33
CO[C@@H]1C[C@H](CNC(=O)C2=C(CC(=O)[O-])OC=C2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193336	1	51	0.0	-47.92	418.78	4.05	-43.87
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C(=O)[O-])=CC=N2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193337	0	47	0.0	-76.13	385.32	4.03	-72.10
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C(=O)[O-])=CC=N2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193337	1	47	0.0	-69.43	386.72	2.92	-66.51
CO[C@@H]1C[C@H](CNC(=O)C23CC(C(=O)[O-])(C2)C3)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193338	0	49	0.0	-66.69	391.08	5.28	-61.41
CO[C@@H]1C[C@H](CNC(=O)C23CC(C(=O)[O-])(C2)C3)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193338	1	49	0.0	-62.61	388.01	3.51	-59.10
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CCC2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193339	0	48	0.0	-47.81	374.25	4.74	-43.07
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CCC2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193339	1	48	0.0	-40.46	370.96	3.32	-37.14
CO[C@@H]1C[C@H](CNC(=O)C(C)(C)C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193340	0	47	0.0	-81.41	361.20	2.95	-78.46
CO[C@@H]1C[C@H](CNC(=O)C(C)(C)C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193340	1	47	0.0	-73.22	365.18	3.69	-69.53
CO[C@@H]1C[C@H](CNC(=O)CC2CCC(C(=O)[O-])CC2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193341	0	57	0.0	-67.67	424.05	6.36	-61.31
CO[C@@H]1C[C@H](CNC(=O)CC2CCC(C(=O)[O-])CC2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193341	1	57	0.0	-78.69	432.08	5.20	-73.49
CO[C@@H]1C[C@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193342	0	55	0.0	-84.75	421.56	6.11	-78.64
CO[C@@H]1C[C@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193342	1	55	0.0	-79.23	421.59	5.12	-74.11
CO[C@@H]1C[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193343	0	53	0.0	-66.24	398.03	4.12	-62.12
CO[C@@H]1C[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193343	1	53	0.0	-71.15	398.28	4.08	-67.07
CO[C@@H]1C[C@H](CNC(=O)CCCC(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193344	0	47	0.0	-68.75	375.68	3.30	-65.45
CO[C@@H]1C[C@H](CNC(=O)CCCC(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193344	1	47	0.0	-72.50	375.40	2.91	-69.59
CO[C@@H]1C[C@H](CNC(=O)CC(C)CC(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193345	0	50	0.0	-77.91	387.05	4.75	-73.16
CO[C@@H]1C[C@H](CNC(=O)CC(C)CC(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193345	1	50	0.0	-71.86	388.00	3.36	-68.50
CO[C@@H]1C[C@H](CNC(=O)C2=NOC(C(=O)[O-])=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193346	0	44	0.0	-57.26	368.59	3.31	-53.95
CO[C@@H]1C[C@H](CNC(=O)C2=NOC(C(=O)[O-])=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193346	1	44	0.0	-53.31	370.55	2.15	-51.16
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CCCC2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193347	0	51	0.0	-54.16	391.88	5.33	-48.83
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CCCC2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193347	1	51	0.0	-45.39	390.45	4.34	-41.05
CO[C@@H]1C[C@H](CNC(=O)C2=C(C)OC(C(=O)[O-])=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193348	0	48	0.0	-52.36	390.85	4.89	-47.47
CO[C@@H]1C[C@H](CNC(=O)C2=C(C)OC(C(=O)[O-])=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193348	1	48	0.0	-51.77	390.93	3.47	-48.30
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C)=C(C(=O)[O-])O2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193349	0	48	0.0	-44.84	392.06	4.72	-40.12
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C)=C(C(=O)[O-])O2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193349	1	48	0.0	-44.79	394.01	3.60	-41.19
CO[C@@H]1C[C@H](CNC(=O)CN2C=C(C(=O)[O-])C=N2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193350	0	48	0.0	-86.75	394.46	3.88	-82.87
CO[C@@H]1C[C@H](CNC(=O)CN2C=C(C(=O)[O-])C=N2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193350	1	48	0.0	-80.16	395.30	2.45	-77.71
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C=CC(=O)[O-])O2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193351	0	49	0.0	-46.25	407.23	5.29	-40.96
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C=CC(=O)[O-])O2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193351	1	49	0.0	-51.04	406.52	3.94	-47.10
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193352	0	55	0.0	-59.57	431.57	5.71	-53.86
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193352	1	55	0.0	-40.86	418.51	5.13	-35.73
CO[C@@H]1C[C@H](CNC(=O)CCSCC(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193353	0	48	0.0	-67.33	398.71	3.89	-63.44
CO[C@@H]1C[C@H](CNC(=O)CCSCC(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193353	1	48	0.0	-67.78	398.95	3.84	-63.94
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=N2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193354	0	47	0.0	-58.35	383.79	2.68	-55.67
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=N2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193354	1	47	0.0	-54.18	387.12	2.87	-51.31
CO[C@@H]1C[C@H](CNC(=O)COCC(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193355	0	45	0.0	-81.51	366.60	3.55	-77.96
CO[C@@H]1C[C@H](CNC(=O)COCC(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193355	1	45	0.0	-76.57	368.06	2.49	-74.08
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C(=O)[O-])=NN2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193356	0	48	0.0	-56.70	390.16	3.41	-53.29
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C(=O)[O-])=NN2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193356	1	48	0.0	-57.27	388.75	2.01	-55.26
CO[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193357	0	52	0.0	-81.52	417.38	4.49	-77.03
CO[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193357	1	52	0.0	-78.64	411.96	4.01	-74.63
CO[C@@H]1C[C@H](CNC(=O)C(C)(C)CCC(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193358	0	53	0.0	-84.72	399.41	3.24	-81.48
CO[C@@H]1C[C@H](CNC(=O)C(C)(C)CCC(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193358	1	53	0.0	-76.42	406.19	4.01	-72.41
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193359	0	51	0.0	-67.92	409.00	6.35	-61.57
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193359	1	51	0.0	-64.75	410.22	5.07	-59.68
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193360	0	52	0.0	-71.83	418.83	6.85	-64.98
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193360	1	52	0.0	-69.08	420.10	5.60	-63.48
CO[C@@H]1C[C@H](CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193361	0	49	0.0	-74.93	406.65	5.15	-69.78
CO[C@@H]1C[C@H](CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193361	1	49	0.0	-69.57	407.67	3.76	-65.81
CO[C@@H]1C[C@H](CNC(=O)C2=CC=CC=C2CCC(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193362	0	54	0.0	-92.06	421.32	7.08	-84.98
CO[C@@H]1C[C@H](CNC(=O)C2=CC=CC=C2CCC(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193362	1	54	0.0	-82.91	421.35	5.78	-77.13
CO[C@@H]1C[C@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193363	0	49	0.0	-61.14	408.31	5.47	-55.67
CO[C@@H]1C[C@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193363	1	49	0.0	-59.81	409.20	4.11	-55.70
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193364	0	51	0.0	-78.23	403.60	4.52	-73.71
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193364	1	51	0.0	-75.62	393.73	3.74	-71.88
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C)C(C(=O)[O-])=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193365	0	51	0.0	-90.70	400.40	4.46	-86.24
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C)C(C(=O)[O-])=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193365	1	51	0.0	-71.75	395.24	5.75	-66.00
CO[C@@H]1C[C@H](CNC(=O)C2=CN=CC(C(=O)[O-])=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193366	0	47	0.0	-73.77	381.99	3.80	-69.97
CO[C@@H]1C[C@H](CNC(=O)C2=CN=CC(C(=O)[O-])=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193366	1	47	0.0	-68.54	382.45	2.49	-66.05
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C(=O)[O-])=CN=C2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193367	0	50	0.0	-39.39	397.83	4.43	-34.96
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C(=O)[O-])=CN=C2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193367	1	50	0.0	-42.29	399.77	3.20	-39.09
CO[C@@H]1C[C@H](CNC(=O)CN2C=CC(C(=O)[O-])=N2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193368	0	48	0.0	-101.18	393.74	3.87	-97.31
CO[C@@H]1C[C@H](CNC(=O)CN2C=CC(C(=O)[O-])=N2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193368	1	48	0.0	-77.35	384.26	3.22	-74.13
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193369	0	48	0.0	-60.28	376.12	4.74	-55.54
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193369	1	48	0.0	-55.61	376.66	3.42	-52.19
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193370	0	55	0.0	-73.32	432.13	4.52	-68.80
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193370	1	55	0.0	-84.45	432.97	4.51	-79.94
CO[C@@H]1C[C@H](CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193371	0	55	0.0	-77.99	430.43	4.51	-73.48
CO[C@@H]1C[C@H](CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193371	1	55	0.0	-72.61	431.81	3.46	-69.15
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193372	0	48	0.0	-60.28	376.12	4.74	-55.54
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193372	1	48	0.0	-55.61	376.66	3.42	-52.19
CO[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193373	0	45	0.0	-85.20	361.59	4.18	-81.02
CO[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193373	1	45	0.0	-65.69	353.70	4.49	-61.20
CO[C@@H]1C[C@H](CNC(=O)C2=C(C)C=C(C(=O)[O-])O2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193374	0	48	0.0	-41.79	391.26	3.51	-38.28
CO[C@@H]1C[C@H](CNC(=O)C2=C(C)C=C(C(=O)[O-])O2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193374	1	48	0.0	-44.80	393.66	3.68	-41.12
CCC(C(=O)[O-])C(=O)NC[C@H]1C[C@@H](OC)CN1C1=CC(N)=[NH+]C=N1	REAL300005193375	0	47	0.0	-56.55	371.96	3.88	-52.67
CCC(C(=O)[O-])C(=O)NC[C@H]1C[C@@H](OC)CN1C1=CC(N)=NC=[NH+]1	REAL300005193375	1	47	0.0	-44.50	363.02	4.12	-40.38
CO[C@@H]1C[C@H](CNC(=O)C(C(=O)[O-])C(C)C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193376	0	50	0.0	-63.33	384.32	4.34	-58.99
CO[C@@H]1C[C@H](CNC(=O)C(C(=O)[O-])C(C)C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193376	1	50	0.0	-46.19	390.01	3.65	-42.54
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193377	0	54	0.0	-81.32	401.04	6.46	-74.86
CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193377	1	54	0.0	-76.47	399.88	5.40	-71.07
CO[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193379	0	45	0.0	-67.85	364.25	4.23	-63.62
CO[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193379	1	45	0.0	-59.15	365.73	2.85	-56.30
CO[C@@H]1C[C@H](CNC(=O)C2CC3(CC3C(=O)[O-])C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193380	0	52	0.0	-74.88	408.74	6.03	-68.85
CO[C@@H]1C[C@H](CNC(=O)C2CC3(CC3C(=O)[O-])C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193380	1	52	0.0	-56.48	411.01	4.65	-51.83
CO[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193381	0	48	0.0	-70.28	381.00	3.69	-66.59
CO[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193381	1	48	0.0	-73.79	380.86	3.62	-70.17
CO[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193382	0	54	0.0	-90.22	416.16	5.97	-84.25
CO[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193382	1	54	0.0	-81.97	418.81	5.61	-76.36
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C(=O)[O-])=CC=C2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193383	0	51	0.0	-38.99	403.63	6.36	-32.63
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C(=O)[O-])=CC=C2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193383	1	51	0.0	-42.21	403.33	4.87	-37.34
CO[C@@H]1C[C@H](CNC(=O)C2CC(C)(C(=O)[O-])C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193384	0	51	0.0	-80.76	399.15	5.19	-75.57
CO[C@@H]1C[C@H](CNC(=O)C2CC(C)(C(=O)[O-])C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193384	1	51	0.0	-56.56	398.12	3.76	-52.80
CO[C@@H]1C[C@H](CNC(=O)C2=C(C(=O)[O-])SC=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193385	0	45	0.0	-89.85	375.18	5.70	-84.15
CO[C@@H]1C[C@H](CNC(=O)C2=C(C(=O)[O-])SC=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193385	1	45	0.0	-80.60	377.35	4.21	-76.39
CO[C@@H]1C[C@H](CNC(=O)C2=CN=CC(C(=O)[O-])=C2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193387	0	50	0.0	-71.06	392.04	4.33	-66.73
CO[C@@H]1C[C@H](CNC(=O)C2=CN=CC(C(=O)[O-])=C2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193387	1	50	0.0	-66.01	391.81	3.02	-62.99
CCCC(C(=O)[O-])C(=O)NC[C@H]1C[C@@H](OC)CN1C1=CC(N)=[NH+]C=N1	REAL300005193388	0	50	0.0	-56.96	395.38	4.36	-52.60
CCCC(C(=O)[O-])C(=O)NC[C@H]1C[C@@H](OC)CN1C1=CC(N)=NC=[NH+]1	REAL300005193388	1	50	0.0	-45.72	383.86	5.09	-40.63
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193389	0	51	0.0	-67.31	402.34	6.23	-61.08
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193389	1	51	0.0	-64.13	404.45	5.08	-59.05
CO[C@@H]1C[C@H](CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193390	0	55	0.0	-77.53	428.68	6.52	-71.01
CO[C@@H]1C[C@H](CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193390	1	55	0.0	-65.77	419.40	5.93	-59.84
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])N2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193391	0	49	0.0	-72.06	390.23	4.96	-67.10
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(C(=O)[O-])N2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193391	1	49	0.0	-68.68	388.93	3.56	-65.12
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC=CC2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193392	0	49	0.0	-54.17	384.45	5.23	-48.94
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC=CC2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193392	1	49	0.0	-40.47	385.96	3.82	-36.65
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193393	0	54	0.0	-72.05	430.33	7.15	-64.90
CO[C@@H]1C[C@H](CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193393	1	54	0.0	-68.16	431.61	5.88	-62.28
CO[C@@H]1C[C@H](CNC(=O)CC2(CC(=O)[O-])CC2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193395	0	51	0.0	-65.54	401.43	5.46	-60.08
CO[C@@H]1C[C@H](CNC(=O)CC2(CC(=O)[O-])CC2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193395	1	51	0.0	-64.09	399.61	5.25	-58.84
CO[C@@H]1C[C@H](CNC(=O)C2=CSC(C(=O)[O-])=N2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193396	0	44	0.0	-38.58	377.38	2.88	-35.70
CO[C@@H]1C[C@H](CNC(=O)C2=CSC(C(=O)[O-])=N2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193396	1	44	0.0	-38.66	379.11	1.71	-36.95
COC(C(=O)[O-])C(=O)NC[C@H]1C[C@@H](OC)CN1C1=CC(N)=[NH+]C=N1	REAL300005193397	0	45	0.0	-56.53	364.11	2.26	-54.27
COC(C(=O)[O-])C(=O)NC[C@H]1C[C@@H](OC)CN1C1=CC(N)=NC=[NH+]1	REAL300005193397	1	45	0.0	-48.14	364.50	2.36	-45.78
CO[C@@H]1C[C@H](CNC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193398	0	48	0.0	-85.50	383.24	4.61	-80.89
CO[C@@H]1C[C@H](CNC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193398	1	48	0.0	-62.75	384.09	4.16	-58.59
CO[C@@H]1C[C@H](CNC(=O)C2=C(C)SC(C(=O)[O-])=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193399	0	48	0.0	-44.68	396.63	5.51	-39.17
CO[C@@H]1C[C@H](CNC(=O)C2=C(C)SC(C(=O)[O-])=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193399	1	48	0.0	-45.71	396.87	4.11	-41.60
CO[C@@H]1C[C@H](CNC(=O)C23CC(C(=O)[O-])(C2)CO3)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193400	0	50	0.0	-65.71	397.95	3.24	-62.47
CO[C@@H]1C[C@H](CNC(=O)C23CC(C(=O)[O-])(C2)CO3)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193400	1	50	0.0	-61.21	399.87	2.15	-59.06
CO[C@@H]1C[C@H](CNC(=O)C(C)C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193401	0	44	0.0	-55.37	342.14	3.84	-51.53
CO[C@@H]1C[C@H](CNC(=O)C(C)C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193401	1	44	0.0	-70.10	350.12	3.29	-66.81
CO[C@@H]1C[C@H](CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193402	0	52	0.0	-78.84	429.80	6.17	-72.67
CO[C@@H]1C[C@H](CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193402	1	52	0.0	-75.15	424.00	5.69	-69.46
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193403	0	48	0.0	-43.31	378.41	4.89	-38.42
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193403	1	48	0.0	-40.12	376.11	3.66	-36.46
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193404	0	55	0.0	-59.57	431.57	5.71	-53.86
CO[C@@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193404	1	55	0.0	-40.86	418.51	5.13	-35.73
CO[C@@H]1C[C@H](CNC(=O)C2=C(C(=O)[O-])C=NN2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193405	0	48	0.0	-70.97	393.69	3.16	-67.81
CO[C@@H]1C[C@H](CNC(=O)C2=C(C(=O)[O-])C=NN2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193405	1	48	0.0	-58.37	395.40	2.00	-56.37
CO[C@@H]1C[C@H](CNC(=O)C2=CC=CC(C(=O)[O-])=C2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193406	0	51	0.0	-84.02	396.52	6.11	-77.91
CO[C@@H]1C[C@H](CNC(=O)C2=CC=CC(C(=O)[O-])=C2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193406	1	51	0.0	-76.28	398.96	4.97	-71.31
CO[C@@H]1C[C@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193407	0	51	0.0	-76.35	417.99	5.09	-71.26
CO[C@@H]1C[C@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193407	1	51	0.0	-73.14	418.89	3.71	-69.43
C=C1CCC1(C(=O)[O-])C(=O)NC[C@H]1C[C@@H](OC)CN1C1=CC(N)=[NH+]C=N1	REAL300005193408	0	49	0.0	-58.33	395.81	4.43	-53.90
C=C1CCC1(C(=O)[O-])C(=O)NC[C@H]1C[C@@H](OC)CN1C1=CC(N)=NC=[NH+]1	REAL300005193408	1	49	0.0	-46.26	386.57	3.97	-42.29
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C(=O)[O-])=CS2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193409	0	45	0.0	-79.87	380.96	4.67	-75.20
CO[C@@H]1C[C@H](CNC(=O)C2=CC(C(=O)[O-])=CS2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193409	1	45	0.0	-74.11	382.66	3.56	-70.55
CO[C@@H]1C[C@H](CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193410	0	53	0.0	-64.04	413.08	3.50	-60.54
CO[C@@H]1C[C@H](CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193410	1	53	0.0	-58.38	407.11	2.91	-55.47
CO[C@@H]1C[C@H](CNC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193411	0	54	0.0	-85.49	417.92	5.24	-80.25
CO[C@@H]1C[C@H](CNC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193411	1	54	0.0	-52.08	416.94	4.30	-47.78
CO[C@@H]1C[C@H](CNC(=O)CC2=CC=C(C(=O)[O-])C=C2C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193412	0	54	0.0	-91.33	429.12	6.88	-84.45
CO[C@@H]1C[C@H](CNC(=O)CC2=CC=C(C(=O)[O-])C=C2C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193412	1	54	0.0	-86.65	430.38	5.51	-81.14
CO[C@@H]1C[C@H](CNC(=O)CC2=CC(C(=O)[O-])=CS2)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193413	0	48	0.0	-85.58	403.88	5.52	-80.06
CO[C@@H]1C[C@H](CNC(=O)CC2=CC(C(=O)[O-])=CS2)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193413	1	48	0.0	-81.89	404.81	4.12	-77.77
CO[C@@H]1C[C@H](CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)N(C2=CC(N)=[NH+]C=N2)C1	REAL300005193414	0	51	0.0	-76.73	394.40	5.20	-71.53
CO[C@@H]1C[C@H](CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)N(C2=CC(N)=NC=[NH+]2)C1	REAL300005193414	1	51	0.0	-60.76	393.58	4.02	-56.74
COCCC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005193484	0	54	0.0	-51.67	396.05	10.09	-41.58
COCCC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005193484	1	54	0.0	-52.28	396.76	10.14	-42.14
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC2CC(F)(F)F)C1	REAL300005193586	0	44	0.0	-47.93	327.42	6.21	-41.72
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC2CC(F)(F)F)C1	REAL300005193586	1	44	0.0	-50.25	328.56	6.64	-43.61
O=C([O-])C1=C(C2CCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CC2)OC=N1	REAL300005194587	0	56	0.0	-83.80	425.79	9.02	-74.78
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2)OC=N1	REAL300005195143	0	53	0.0	-72.21	402.89	8.07	-64.14
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2)OC=N1	REAL300005195143	1	53	0.0	-73.75	410.41	8.58	-65.17
O=C([O-])C1=C(C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)OC=N1	REAL300005195973	0	50	0.0	-77.45	379.76	6.95	-70.50
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)OC=N1	REAL300005195998	0	47	0.0	-72.48	358.44	5.89	-66.59
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)OC=N1	REAL300005195998	1	47	0.0	-70.59	354.74	6.11	-64.48
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=C(C(=O)[O-])N=CO4)CC3)CN21	REAL300005196004	1	48	0.0	-71.10	373.93	6.58	-64.52
O=C([O-])C1=C(C2CCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CC2)OC=N1	REAL300005196005	0	56	0.0	-73.47	419.23	8.51	-64.96
C[N@@H+]1CCCCC1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196083	0	46	0.0	-71.36	346.90	5.55	-65.81
C[N@H+]1CCCCC1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196083	1	46	0.0	-73.63	339.19	5.20	-68.43
CC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)N1CC[NH+](C)CC1	REAL300005196084	1	51	0.0	-76.66	373.81	3.49	-73.17
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196124	0	46	0.0	-72.20	346.19	5.49	-66.71
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196124	1	46	0.0	-74.06	338.93	5.18	-68.88
C[NH+]1CCC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005196210	0	46	0.0	-80.41	350.43	5.54	-74.87
O=C([O-])C1=C(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)OC=N1	REAL300005196240	0	41	0.0	-77.32	341.01	7.29	-70.03
C[NH+](C)CC1(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CCCCC1	REAL300005196274	0	55	0.0	-78.95	376.94	6.82	-72.13
C[N@H+](CCC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1CCCCC1	REAL300005196279	0	55	0.0	-79.30	404.94	7.63	-71.67
C[N@@H+](CCC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1CCCCC1	REAL300005196279	1	55	0.0	-79.44	404.97	7.63	-71.81
C[N@@H+]1CCCC1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196295	0	43	0.0	-71.84	331.39	4.86	-66.98
C[N@H+]1CCCC1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196295	1	43	0.0	-72.90	329.23	4.81	-68.09
C[NH+]1CCC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005196350	0	46	0.0	-80.41	350.43	5.54	-74.87
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CC2)OC=N1	REAL300005196354	0	49	0.0	-79.35	394.40	6.25	-73.10
O=C([O-])C1=C(C2CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2)OC=N1	REAL300005196373	0	56	0.0	-70.51	394.84	7.55	-62.96
O=C([O-])C1=C(C2CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2)OC=N1	REAL300005196373	1	56	0.0	-70.30	395.98	7.59	-62.71
O=C([O-])C1=C(C2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)OC=N1	REAL300005196374	0	57	0.0	-83.03	418.00	6.15	-76.88
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196410	1	47	0.0	-75.61	377.53	6.92	-68.69
O=C([O-])C1=C(C2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)OC=N1	REAL300005196411	1	53	0.0	-82.06	404.80	5.61	-76.45
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C=C1)C(C)C	REAL300005196414	0	58	0.0	-79.41	431.66	8.74	-70.67
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C=C1)C(C)C	REAL300005196414	1	58	0.0	-79.45	422.85	8.30	-71.15
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196417	0	43	0.0	-73.91	325.43	4.49	-69.42
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196417	1	43	0.0	-72.90	328.28	4.80	-68.10
C[NH+](C)C1(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005196426	0	43	0.0	-76.29	325.56	4.43	-71.86
O=C([O-])C1=C(C2CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC2)OC=N1	REAL300005196471	0	53	0.0	-78.51	408.74	8.33	-70.18
O=C([O-])C1=C(C2CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)OC=N1	REAL300005196471	1	53	0.0	-79.60	406.38	8.24	-71.36
O=C([O-])C1=C(C2CCN(C(=O)C3CC[NH+](C4CCSC4)CC3)CC2)OC=N1	REAL300005196472	0	54	0.0	-84.77	405.65	7.52	-77.25
O=C([O-])C1=C(C2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC2)OC=N1	REAL300005196495	0	57	0.0	-78.35	403.29	5.89	-72.46
CCC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+](CC)CC	REAL300005196499	0	51	0.0	-68.47	367.24	6.17	-62.30
CC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300005196501	0	52	0.0	-74.96	399.57	7.92	-67.04
CC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300005196501	1	52	0.0	-75.94	399.24	7.87	-68.07
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C=N1	REAL300005196531	0	48	0.0	-81.22	380.78	5.71	-75.51
CCC[NH+](CCC)CCCC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196537	0	57	0.0	-78.75	429.09	8.23	-70.52
CC[N@H+](C)C(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1=CC=CC=C1	REAL300005196538	0	52	0.0	-70.81	391.35	7.72	-63.09
CC[N@@H+](C)C(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1=CC=CC=C1	REAL300005196538	1	52	0.0	-72.68	390.98	7.91	-64.77
C[N@@H+]1CCOC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C1	REAL300005196540	1	44	0.0	-75.04	332.57	4.05	-70.99
C[N@H+]1CCOC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C1	REAL300005196540	1	44	0.0	-74.95	332.61	4.06	-70.89
CC[NH+](CC)C(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1=CC=CC=C1	REAL300005196542	0	55	0.0	-70.70	402.63	8.36	-62.34
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196551	1	47	0.0	-71.51	372.28	6.71	-64.80
C[NH+](C)C(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1=CC=C(Cl)C=C1	REAL300005196556	1	49	0.0	-75.91	391.41	7.70	-68.21
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC2)OC=N1	REAL300005196569	0	53	0.0	-82.22	408.66	8.29	-73.93
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)CC2)OC=N1	REAL300005196576	0	56	0.0	-80.20	426.15	9.02	-71.18
CCC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[N@@H+]1CCOC(CC)C1	REAL300005196578	1	56	0.0	-73.56	407.11	5.87	-67.69
CCC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[N@H+]1CCOC(CC)C1	REAL300005196578	1	56	0.0	-73.10	401.42	5.81	-67.29
C[NH+](C)CC1(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005196580	0	46	0.0	-73.59	354.46	5.51	-68.08
C[NH+](C)CCCCC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196588	0	48	0.0	-80.21	371.89	6.15	-74.06
CC(C)C(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+](C)C	REAL300005196597	0	48	0.0	-73.66	345.99	5.62	-68.04
O=C([O-])C1=C(C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)CC2)OC=N1	REAL300005196610	0	56	0.0	-73.00	412.48	8.56	-64.44
O=C([O-])C1=C(C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)CC2)OC=N1	REAL300005196610	1	56	0.0	-72.78	412.53	8.64	-64.14
CC1=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300005196612	1	47	0.0	-84.59	383.80	5.56	-79.03
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)CC2)OC=N1	REAL300005196620	0	56	0.0	-83.39	426.64	9.02	-74.37
O=C([O-])C1=C(C2CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC2)OC=N1	REAL300005196633	1	49	0.0	-83.88	387.88	6.39	-77.49
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C=C1	REAL300005196634	0	52	0.0	-84.63	407.57	8.01	-76.62
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196645	1	45	0.0	-68.82	358.59	4.55	-64.27
O=C([O-])C1=C(C2CCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)CC2)OC=N1	REAL300005196647	1	54	0.0	-85.05	416.06	7.80	-77.25
O=C([O-])C1=C(C2CCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)CC2)OC=N1	REAL300005196647	1	54	0.0	-83.06	416.16	7.79	-75.27
CCC[N@H+](C)CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196656	0	45	0.0	-76.28	345.71	5.37	-70.91
CCC[N@@H+](C)CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196656	1	45	0.0	-76.34	345.75	5.39	-70.95
C[N@H+](CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1CCC1	REAL300005196678	0	46	0.0	-73.86	352.63	5.95	-67.91
C[N@@H+](CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1CCC1	REAL300005196678	1	46	0.0	-74.00	352.76	5.96	-68.04
CC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+]1CCSCC1	REAL300005196702	1	47	0.0	-75.75	363.48	5.89	-69.86
C[N@H+](CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)CC(C)(C)C	REAL300005196706	0	51	0.0	-75.89	374.32	6.35	-69.54
C[N@@H+](CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)CC(C)(C)C	REAL300005196706	1	51	0.0	-75.74	376.27	6.51	-69.23
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196708	0	52	0.0	-80.36	405.66	8.41	-71.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196708	1	52	0.0	-80.51	405.66	8.40	-72.11
COCCOCC[N@H+](C)CCC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196709	0	56	0.0	-79.27	434.64	4.64	-74.63
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196709	1	56	0.0	-80.54	434.71	4.64	-75.90
CC[C@@H](C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+](C)C	REAL300005196713	0	45	0.0	-72.28	330.86	4.77	-67.51
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C1	REAL300005196715	0	50	0.0	-74.45	367.08	4.16	-70.29
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C1	REAL300005196715	1	50	0.0	-77.70	364.25	4.26	-73.44
O=C([O-])C1=C(C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)CC2)OC=N1	REAL300005196736	1	55	0.0	-75.81	418.56	7.34	-68.47
O=C([O-])C1=C(C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)CC2)OC=N1	REAL300005196736	1	55	0.0	-75.45	417.59	7.30	-68.15
O=C([O-])C1=C(C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)CC2)OC=N1	REAL300005196737	1	55	0.0	-76.93	417.58	7.27	-69.66
O=C([O-])C1=C(C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)CC2)OC=N1	REAL300005196737	1	55	0.0	-77.72	407.35	6.71	-71.01
CCCCCC[N@H+](C)CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196739	0	54	0.0	-77.66	410.25	7.72	-69.94
CCCCCC[N@@H+](C)CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196739	1	54	0.0	-77.54	410.25	7.73	-69.81
O=C([O-])C1=C(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)OC=N1	REAL300005196749	0	47	0.0	-71.16	337.57	5.42	-65.74
O=C([O-])C1=C(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)OC=N1	REAL300005196757	1	41	0.0	-80.13	341.12	7.33	-72.80
C[N@H+](CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1CCSC1	REAL300005196770	0	47	0.0	-81.44	366.01	6.20	-75.24
C[N@@H+](CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1CCSC1	REAL300005196770	1	47	0.0	-80.76	367.23	6.17	-74.59
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005196787	0	57	0.0	-77.40	417.92	4.97	-72.43
CC(C)N1CC[NH+](CCC(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005196787	1	57	0.0	-79.40	418.40	4.99	-74.41
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005196788	0	60	0.0	-75.87	443.37	6.00	-69.87
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005196788	1	60	0.0	-79.66	440.19	5.83	-73.83
O=C([O-])C1=C(C2CCN(C(=O)C3CCCC4CCC[N@@H+]43)CC2)OC=N1	REAL300005196789	0	50	0.0	-71.97	359.00	6.03	-65.94
O=C([O-])C1=C(C2CCN(C(=O)C3CCCC4CCC[N@H+]43)CC2)OC=N1	REAL300005196789	1	50	0.0	-68.70	371.18	6.70	-62.00
C[NH+](C)CCN1C=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C=N1	REAL300005196791	0	49	0.0	-84.46	388.24	5.14	-79.32
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)CC2)OC=N1	REAL300005196802	0	55	0.0	-84.20	411.97	7.09	-77.11
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)CC2)OC=N1	REAL300005196802	1	55	0.0	-85.60	422.36	7.24	-78.36
CC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005196807	0	53	0.0	-76.20	400.42	8.27	-67.93
CC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005196807	1	53	0.0	-75.77	400.08	8.29	-67.48
CCC(CC)C(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+]1CCOCC1	REAL300005196825	1	59	0.0	-71.25	411.74	5.89	-65.36
CCCC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+](C)C	REAL300005196826	0	48	0.0	-75.12	357.74	5.76	-69.36
O=C([O-])C1=C(C2CCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)CC2)OC=N1	REAL300005196827	0	56	0.0	-82.54	429.41	9.19	-73.35
O=C([O-])C1=C(C2CCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)OC=N1	REAL300005196827	1	56	0.0	-83.30	432.09	9.24	-74.06
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)=N1	REAL300005196842	0	49	0.0	-85.17	388.30	5.80	-79.37
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196843	0	49	0.0	-74.68	382.45	5.19	-69.49
C[C@@H]1[C@H](C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC[N@@H+]1C	REAL300005196846	0	46	0.0	-80.78	341.65	4.90	-75.88
C[C@@H]1[C@H](C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC[N@H+]1C	REAL300005196846	1	46	0.0	-78.45	344.08	5.49	-72.96
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196848	1	50	0.0	-71.54	392.50	7.25	-64.29
CC[C@@H]1[C@@H](C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC[N@@H+]1C	REAL300005196851	0	49	0.0	-77.92	359.48	5.49	-72.43
CC[C@@H]1[C@@H](C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC[N@H+]1C	REAL300005196851	1	49	0.0	-78.44	365.25	5.80	-72.64
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)=NN1	REAL300005196853	1	50	0.0	-83.97	383.67	4.95	-79.02
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)=NN1	REAL300005196853	1	50	0.0	-82.01	382.17	4.78	-77.23
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196854	1	45	0.0	-72.22	351.58	5.72	-66.50
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196854	1	45	0.0	-72.76	354.96	6.06	-66.70
CC1C[N@H+](C)CC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)O1	REAL300005196860	1	47	0.0	-83.90	360.56	4.95	-78.95
CC1C[N@@H+](C)CC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)O1	REAL300005196860	1	47	0.0	-84.33	353.31	4.52	-79.81
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)CC2)OC=N1	REAL300005196867	1	52	0.0	-69.69	404.39	7.00	-62.69
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)CC2)OC=N1	REAL300005196867	1	52	0.0	-70.93	398.46	6.25	-64.68
O=C([O-])C1=C(C2CCN(C(=O)C[NH+]3CCCC3)CC2)OC=N1	REAL300005196870	0	43	0.0	-75.47	330.67	5.08	-70.39
CC1=[NH+]C=CN1CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196872	1	41	0.0	-73.10	335.92	5.59	-67.51
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196874	0	50	0.0	-81.70	376.23	4.56	-77.14
CC1CC[NH+](CC(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005196893	0	49	0.0	-76.30	369.10	6.46	-69.84
CC[N@@H+]1CCOC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C1	REAL300005196904	1	47	0.0	-81.22	357.17	4.86	-76.36
CC[N@H+]1CCOC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C1	REAL300005196904	1	47	0.0	-81.28	357.13	4.86	-76.42
O=C([O-])C1=C(C2CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)CC2)OC=N1	REAL300005196941	0	56	0.0	-76.48	407.53	7.68	-68.80
O=C([O-])C1=C(C2CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)CC2)OC=N1	REAL300005196941	1	56	0.0	-75.79	408.43	7.76	-68.03
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196947	0	49	0.0	-80.29	373.90	6.51	-73.78
C[N@H+]1CCCC1CCC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196947	1	49	0.0	-80.03	370.30	6.35	-73.68
O=C([O-])C1=C(C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)OC=N1	REAL300005196959	0	50	0.0	-82.73	353.24	5.59	-77.14
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196961	0	47	0.0	-74.47	347.43	1.37	-73.10
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196961	1	47	0.0	-72.49	343.18	1.05	-71.44
O=C([O-])C1=C(C2CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)OC=N1	REAL300005196962	0	50	0.0	-69.80	371.09	6.74	-63.06
O=C([O-])C1=C(C2CCN(C(=O)C3CCC4CCCC[N@H+]43)CC2)OC=N1	REAL300005196962	1	50	0.0	-69.82	370.60	6.70	-63.12
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196969	0	53	0.0	-73.56	378.46	4.61	-68.95
CC[NH+](CC)CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005196985	0	45	0.0	-74.36	338.11	5.04	-69.32
CC(C)[NH+]1CCC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005196987	0	52	0.0	-78.57	381.29	6.49	-72.08
O=C([O-])C1=C(C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)OC=N1	REAL300005197068	0	44	0.0	-78.98	330.61	4.23	-74.75
CCC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+](C)C	REAL300005197071	0	45	0.0	-74.61	336.26	4.99	-69.62
O=C([O-])C1=C(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)OC=N1	REAL300005197079	0	47	0.0	-79.12	340.89	4.85	-74.27
O=C([O-])C1=C(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)OC=N1	REAL300005197079	1	47	0.0	-79.02	340.53	4.86	-74.16
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197124	0	49	0.0	-72.14	363.65	5.97	-66.17
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)=C1	REAL300005197125	0	49	0.0	-80.38	383.35	7.12	-73.26
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)CC2)OC=N1	REAL300005197126	0	56	0.0	-74.51	417.95	9.17	-65.34
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)CC2)OC=N1	REAL300005197126	1	56	0.0	-77.04	418.09	8.96	-68.08
C[NH+](C)C1(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CCC1	REAL300005197164	0	46	0.0	-75.85	330.88	4.84	-71.01
C#CC[NH+]1CCC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005197192	0	48	0.0	-82.49	374.79	6.71	-75.78
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197194	0	52	0.0	-72.42	378.19	6.58	-65.84
CCC[N@H+]1CCCCC1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197194	1	52	0.0	-71.11	385.26	6.87	-64.24
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197195	0	49	0.0	-67.94	381.59	7.19	-60.75
CC[NH+]1CCN(CCC(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005197197	0	54	0.0	-78.62	404.63	4.65	-73.97
CCN1CC[NH+](CCC(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)CC1	REAL300005197197	1	54	0.0	-79.52	405.16	4.69	-74.83
CC(C)[N@H+](C)CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197198	0	45	0.0	-73.69	340.94	5.16	-68.53
CC(C)[N@@H+](C)CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197198	1	45	0.0	-73.55	340.94	5.17	-68.38
CC(C)C(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+]1CCCCC1	REAL300005197199	0	55	0.0	-70.65	387.77	7.47	-63.18
C[NH+](C)C(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1=CC=CC=C1	REAL300005197200	1	49	0.0	-72.27	374.68	7.18	-65.09
O=C([O-])C1=C(C2CCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)CC2)OC=N1	REAL300005197204	0	54	0.0	-76.77	417.80	5.37	-71.40
O=C([O-])C1=C(C2CCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)CC2)OC=N1	REAL300005197204	1	54	0.0	-76.93	417.52	5.31	-71.62
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197209	1	50	0.0	-71.09	391.98	7.17	-63.92
C[NH+](C)CC1=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)OC2=CC=CC=C21	REAL300005197211	0	52	0.0	-72.50	408.91	7.75	-64.75
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)OC=N1	REAL300005197217	0	53	0.0	-72.11	381.59	7.36	-64.75
O=C([O-])C1=C(C2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)OC=N1	REAL300005197217	1	53	0.0	-71.78	390.97	7.34	-64.44
CC[N@H+](CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1CC1	REAL300005197219	0	46	0.0	-72.46	355.61	6.02	-66.44
CC[N@@H+](CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)C1CC1	REAL300005197219	1	46	0.0	-73.26	352.91	6.00	-67.26
CC(C)C(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+]1CC(C)OC(C)C1	REAL300005197246	1	59	0.0	-71.45	420.89	6.58	-64.87
CC(C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+]1CCCCCC1	REAL300005197247	0	52	0.0	-71.14	374.25	6.41	-64.73
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197251	0	43	0.0	-72.33	331.21	4.82	-67.51
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197251	1	43	0.0	-73.63	324.98	4.50	-69.13
CC(C)(C)[NH2+]CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197334	0	45	0.0	-74.98	345.47	3.70	-71.28
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)O1	REAL300005197336	0	52	0.0	-76.97	403.18	7.18	-69.79
O=C([O-])C1=C(C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)OC=N1	REAL300005197337	0	52	0.0	-78.78	397.85	7.33	-71.45
CC1=CC=C(N2CCC(C(=O)N3CCC(C4=C(C(=O)[O-])N=CO4)CC3)CC2)[NH+]=C1	REAL300005197339	1	55	0.0	-75.26	419.91	6.96	-68.30
C[N@H+](CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)CC1=CC=CC=C1	REAL300005197340	1	49	0.0	-80.54	383.21	7.56	-72.98
C[N@@H+](CC(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)CC1=CC=CC=C1	REAL300005197340	1	49	0.0	-80.34	383.24	7.56	-72.78
CC(C)[C@@H](C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1)[NH+](C)C	REAL300005197351	0	48	0.0	-73.66	348.06	5.62	-68.04
O=C([O-])C1=C(C2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)OC=N1	REAL300005197369	1	44	0.0	-83.69	363.95	5.10	-78.59
C[NH+](C)CC1=CC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)=NO1	REAL300005197396	1	45	0.0	-85.79	361.46	5.21	-80.58
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005197400	0	56	0.0	-83.34	427.29	8.81	-74.53
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CC(C(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1)[N@H+](C)CC1=CC=CC=C1	REAL300005201528	0	44	0.0	-61.94	342.39	5.55	-56.39
CC(C(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005201528	1	44	0.0	-61.31	342.10	5.16	-56.15
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CCN1CCC([NH+]2CCC(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)CC2)CC1	REAL300005201581	0	56	0.0	-75.22	402.33	4.54	-70.68
CC1C[NH+](CC2=CC=C(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)C=C2)CC(C)O1	REAL300005201587	1	52	0.0	-86.22	400.39	5.59	-80.63
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	REAL300005201597	1	49	0.0	-78.97	374.59	5.42	-73.55
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	REAL300005201597	1	49	0.0	-77.10	381.94	5.85	-71.25
CC1=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C=NN1C1=CC=[NH+]C=C1	REAL300005201611	1	39	0.0	-79.67	323.01	3.06	-76.61
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005201614	0	48	0.0	-85.80	367.55	6.96	-78.84
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005201624	1	41	0.0	-80.11	332.10	3.80	-76.31
C[NH+](C)CCC1=CC=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C=C1	REAL300005201625	0	44	0.0	-86.53	347.77	5.55	-80.98
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005201628	1	46	0.0	-59.10	353.22	4.63	-54.47
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005201628	1	46	0.0	-73.21	354.01	4.64	-68.57
CC(C(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005201636	0	54	0.0	-59.43	405.75	8.05	-51.38
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1	REAL300005201661	0	44	0.0	-60.03	346.41	5.56	-54.47
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1	REAL300005201661	1	44	0.0	-60.62	346.62	5.94	-54.68
COCCOCC[N@H+](C)CCC(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1	REAL300005201662	0	48	0.0	-66.95	375.64	2.22	-64.73
COCCOCC[N@@H+](C)CCC(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1	REAL300005201662	1	48	0.0	-67.42	375.46	1.82	-65.60
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CC(C)[NH+]1CCN(CCC(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)CC1	REAL300005201694	0	49	0.0	-70.12	362.52	2.40	-67.72
CC(C)N1CC[NH+](CCC(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)CC1	REAL300005201694	1	49	0.0	-63.95	359.32	2.23	-61.72
CC(C)[NH+]1CCN(CCCC(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)CC1	REAL300005201695	0	52	0.0	-69.41	384.12	3.18	-66.23
CC(C)N1CC[NH+](CCCC(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)CC1	REAL300005201695	1	52	0.0	-69.99	380.66	3.37	-66.62
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CC(C(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005201707	1	45	0.0	-59.28	342.65	6.06	-53.22
CC(C(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005201707	1	45	0.0	-57.17	342.76	5.62	-51.55
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O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005201841	0	48	0.0	-65.48	368.51	6.78	-58.70
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005201841	1	48	0.0	-64.49	368.92	6.77	-57.72
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)=CC=C1N2	REAL300005201921	1	46	0.0	-85.16	360.82	5.50	-79.66
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)=CC=C1N2	REAL300005201921	1	46	0.0	-85.27	360.81	5.51	-79.76
CC[NH+](CC)CC1=CC=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)O1	REAL300005201959	0	44	0.0	-79.44	343.33	4.54	-74.90
CC1=CC=C(N2CCC(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)CC2)[NH+]=C1	REAL300005201961	1	47	0.0	-74.82	361.39	4.50	-70.32
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)C=C2)CC1	REAL300005201964	0	53	0.0	-84.86	393.30	5.09	-79.77
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005201971	1	36	0.0	-77.65	306.57	2.70	-74.95
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1	REAL300005201995	0	48	0.0	-68.83	369.87	6.63	-62.20
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@]1(C(=O)[O-])C[C@H](O)C1	REAL300005201995	1	48	0.0	-68.31	368.92	6.23	-62.08
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C=C1	REAL300005202010	0	49	0.0	-84.37	389.48	5.71	-78.66
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005202022	0	45	0.0	-80.14	352.68	5.21	-74.93
C[N@@H+]1CC(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C(C(F)(F)F)C1	REAL300005202266	0	38	0.0	-84.08	291.49	3.91	-80.17
C[N@H+]1CC(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C(C(F)(F)F)C1	REAL300005202266	1	38	0.0	-76.88	293.42	3.01	-73.87
C[NH+](C)CCC1=CC=CC(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)=C1	REAL300005202553	0	44	0.0	-81.68	348.47	5.91	-75.77
C[NH+](C)CCOC1=CC=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C=C1	REAL300005202556	0	45	0.0	-87.93	355.59	4.87	-83.06
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	REAL300005202616	0	51	0.0	-72.57	386.98	7.39	-65.18
CC1C[N@H+](CC2=CC=C(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)C=C2)CCO1	REAL300005202618	1	49	0.0	-88.23	379.74	5.31	-82.92
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)C=C2)CCO1	REAL300005202618	1	49	0.0	-87.69	373.36	5.26	-82.43
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005203688	0	59	0.0	-76.14	440.96	10.43	-65.71
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300005204976	0	53	0.0	-68.24	388.83	8.04	-60.20
CC1=[NH+]C=C2CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CN21	REAL300005205002	1	51	0.0	-63.56	388.27	7.95	-55.61
CC1=NC(C[NH+]2CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC2)=CS1	REAL300005205064	1	58	0.0	-74.31	444.68	8.12	-66.19
CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)N1CC[NH+](C)CC1	REAL300005205065	1	54	0.0	-70.26	389.92	4.93	-65.33
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[O-]	REAL300005205099	1	49	0.0	-61.02	348.20	6.47	-54.55
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[O-]	REAL300005205099	1	49	0.0	-61.05	362.17	6.73	-54.32
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005205137	0	62	0.0	-80.60	474.49	9.89	-70.71
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300005205170	0	49	0.0	-73.27	364.44	6.80	-66.47
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300005205193	0	44	0.0	-71.82	350.07	8.71	-63.11
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300005205222	0	58	0.0	-51.76	404.16	8.39	-43.37
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005205226	0	58	0.0	-67.14	418.29	8.72	-58.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005205226	1	58	0.0	-66.88	418.11	8.76	-58.12
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300005205282	0	49	0.0	-73.27	364.44	6.80	-66.47
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005205285	0	52	0.0	-79.99	404.92	7.73	-72.26
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005205299	0	60	0.0	-78.03	431.63	7.46	-70.57
CC1=[NH+]C=CN1CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205326	1	50	0.0	-67.72	391.39	8.05	-59.67
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300005205327	1	56	0.0	-76.33	418.69	6.73	-69.60
CC[N@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C=C1)C(C)C	REAL300005205328	0	61	0.0	-78.11	439.68	10.03	-68.08
CC[N@@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C=C1)C(C)C	REAL300005205328	1	61	0.0	-80.21	435.72	9.79	-70.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005205353	0	56	0.0	-67.23	423.06	9.57	-57.66
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005205353	1	56	0.0	-66.53	421.13	9.58	-56.95
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005205354	0	57	0.0	-73.36	419.48	8.81	-64.55
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005205382	0	60	0.0	-66.86	412.92	6.97	-59.89
CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+](CC)CC	REAL300005205386	0	54	0.0	-54.46	383.41	7.59	-46.87
CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300005205388	0	55	0.0	-57.68	414.39	9.21	-48.47
CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300005205388	1	55	0.0	-61.96	413.41	9.23	-52.73
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005205396	0	62	0.0	-72.94	463.57	11.25	-61.69
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005205396	1	62	0.0	-68.99	460.53	11.14	-57.85
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300005205409	0	51	0.0	-77.80	390.80	7.10	-70.70
CCC[NH+](CCC)CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205415	0	60	0.0	-70.25	440.85	9.40	-60.85
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300005205417	1	47	0.0	-72.77	357.26	5.65	-67.12
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300005205417	1	47	0.0	-78.75	354.23	5.52	-73.23
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205424	1	50	0.0	-57.71	384.76	7.95	-49.76
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005205438	0	56	0.0	-83.41	419.83	9.72	-73.69
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005205443	0	59	0.0	-74.82	436.57	10.42	-64.40
CCN1CCC([NH+]2CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC2)CC1	REAL300005205448	0	67	0.0	-70.16	469.94	7.94	-62.22
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(=O)[O-]	REAL300005205450	0	49	0.0	-72.47	372.18	6.93	-65.54
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCCC[NH+](C)C)C(=O)[O-]	REAL300005205459	0	51	0.0	-74.41	385.06	7.31	-67.10
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005205468	1	60	0.0	-78.25	446.66	9.69	-68.56
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005205468	1	60	0.0	-80.41	448.05	9.62	-70.79
CC1=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300005205480	1	50	0.0	-80.45	391.88	6.96	-73.49
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005205483	0	59	0.0	-83.70	439.83	10.44	-73.26
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300005205494	1	52	0.0	-78.92	403.31	7.29	-71.63
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005205495	0	55	0.0	-87.14	421.06	9.49	-77.65
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205501	1	48	0.0	-59.78	368.67	6.19	-53.59
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005205502	1	57	0.0	-73.25	423.12	8.98	-64.27
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005205502	1	57	0.0	-77.42	431.07	9.10	-68.32
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[N@H+](C)C1CCC1)C(=O)[O-]	REAL300005205521	0	49	0.0	-57.56	365.82	7.15	-50.41
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[N@@H+](C)C1CCC1)C(=O)[O-]	REAL300005205521	1	49	0.0	-57.35	366.64	7.13	-50.22
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300005205550	0	54	0.0	-59.77	390.74	7.74	-52.03
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300005205550	1	54	0.0	-59.57	387.76	7.57	-52.00
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005205552	0	55	0.0	-62.97	419.56	9.59	-53.38
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005205552	1	55	0.0	-62.92	419.55	9.58	-53.34
COCCOCC[N@H+](C)CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205553	0	59	0.0	-68.31	447.08	5.79	-62.52
COCCOCC[N@@H+](C)CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205553	1	59	0.0	-66.81	447.88	5.79	-61.02
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300005205556	0	53	0.0	-58.49	389.67	5.53	-52.96
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005205556	1	53	0.0	-68.94	387.86	5.59	-63.35
CCCCCC[N@H+](C)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205567	0	57	0.0	-61.25	424.14	8.91	-52.34
CCCCCC[N@@H+](C)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205567	1	57	0.0	-61.24	424.14	8.91	-52.33
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300005205581	1	44	0.0	-78.70	350.34	8.71	-69.99
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300005205596	0	50	0.0	-62.10	376.14	7.33	-54.77
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300005205596	1	50	0.0	-62.41	379.36	7.36	-55.05
CC(C)[NH+]1CCN(CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300005205609	0	60	0.0	-74.63	430.66	5.93	-68.70
CC(C)N1CC[NH+](CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300005205609	1	60	0.0	-64.97	428.00	6.09	-58.88
CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300005205610	0	63	0.0	-71.91	453.71	7.05	-64.86
CC(C)N1CC[NH+](CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300005205610	1	63	0.0	-70.63	453.25	6.97	-63.66
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300005205611	0	53	0.0	-52.38	380.58	7.98	-44.40
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300005205611	1	53	0.0	-57.10	374.32	7.67	-49.43
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300005205613	0	52	0.0	-81.55	404.74	6.64	-74.91
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005205617	0	61	0.0	-70.27	452.19	8.49	-61.78
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005205619	0	58	0.0	-68.92	432.93	8.51	-60.41
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005205619	1	58	0.0	-66.57	428.21	8.82	-57.75
CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005205624	1	56	0.0	-60.28	416.46	9.53	-50.75
CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005205624	1	56	0.0	-57.93	415.35	9.70	-48.23
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005205644	0	59	0.0	-74.55	445.46	10.38	-64.17
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005205644	1	59	0.0	-74.38	444.82	10.34	-64.04
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005205657	0	52	0.0	-86.31	400.85	6.63	-79.68
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300005205658	0	52	0.0	-59.45	400.27	6.61	-52.84
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[O-]	REAL300005205659	0	49	0.0	-72.98	355.31	6.15	-66.83
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[O-]	REAL300005205659	1	49	0.0	-70.77	362.42	6.55	-64.22
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205660	1	53	0.0	-61.61	402.12	8.34	-53.27
CC[C@@H]1[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC[N@@H+]1C	REAL300005205663	0	52	0.0	-71.23	372.61	6.84	-64.39
CC[C@@H]1[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC[N@H+]1C	REAL300005205663	1	52	0.0	-70.56	379.70	7.17	-63.39
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1C[N@H+](C)CC(C)O1)C(=O)[O-]	REAL300005205673	1	50	0.0	-81.52	371.22	5.95	-75.57
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)[O-]	REAL300005205673	1	50	0.0	-79.34	375.43	6.26	-73.08
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005205677	0	59	0.0	-70.44	447.99	10.40	-60.04
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005205677	1	59	0.0	-61.63	439.70	10.65	-50.98
CC(C[NH+]1CCOCC1)C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205682	0	53	0.0	-67.44	391.21	5.91	-61.53
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005205683	0	60	0.0	-69.95	450.43	7.88	-62.07
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300005205693	0	52	0.0	-60.34	381.73	7.66	-52.68
CC[N@@H+]1CCOC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300005205706	1	50	0.0	-69.97	375.60	6.25	-63.72
CC[N@H+]1CCOC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300005205706	1	50	0.0	-53.00	367.96	6.11	-46.89
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300005205737	1	59	0.0	-80.99	437.47	8.63	-72.36
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005205738	0	59	0.0	-63.11	421.58	8.96	-54.15
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005205738	1	59	0.0	-68.17	425.24	9.07	-59.10
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300005205745	0	52	0.0	-68.90	377.95	7.08	-61.82
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCC1CCC[N@H+]1C)C(=O)[O-]	REAL300005205745	1	52	0.0	-73.00	387.28	7.69	-65.31
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300005205756	0	53	0.0	-59.71	378.67	7.67	-52.04
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300005205756	1	53	0.0	-57.39	387.13	8.09	-49.30
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300005205769	0	61	0.0	-77.33	453.70	7.99	-69.34
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300005205770	0	61	0.0	-81.68	456.66	8.12	-73.56
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300005205770	1	61	0.0	-84.43	456.65	7.94	-76.49
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C=C1	REAL300005205772	0	62	0.0	-82.88	462.15	9.81	-73.07
CC(C)[NH+]1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300005205780	0	55	0.0	-69.94	398.78	8.04	-61.90
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300005205853	0	50	0.0	-69.35	360.99	6.37	-62.98
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300005205853	1	50	0.0	-72.64	361.55	6.41	-66.23
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[NH+]1C(C)CCC1C)C(=O)[O-]	REAL300005205893	0	52	0.0	-55.60	373.62	7.11	-48.49
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300005205894	0	52	0.0	-76.05	397.36	8.69	-67.36
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005205895	0	59	0.0	-63.17	435.30	10.54	-52.63
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005205895	1	59	0.0	-64.17	437.97	10.26	-53.91
C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300005205947	0	51	0.0	-74.18	389.13	8.01	-66.17
CC[NH+]1CCN(CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300005205949	0	57	0.0	-75.86	417.87	5.65	-70.21
CCN1CC[NH+](CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300005205949	1	57	0.0	-65.15	414.77	5.78	-59.37
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005205956	1	53	0.0	-62.39	405.31	8.34	-54.05
CC[N@H+](CC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1CC1	REAL300005205962	0	49	0.0	-56.55	368.50	7.23	-49.32
CC[N@@H+](CC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1CC1	REAL300005205962	1	49	0.0	-57.50	365.30	7.16	-50.34
CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+]1CCCCCC1	REAL300005205988	0	55	0.0	-56.40	390.22	7.55	-48.85
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005206023	1	57	0.0	-83.75	432.28	9.11	-74.64
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005206023	1	57	0.0	-84.04	432.27	9.12	-74.92
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)O1	REAL300005206064	0	55	0.0	-74.18	415.82	8.20	-65.98
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300005206065	0	55	0.0	-73.31	411.23	8.51	-64.80
CC1=CC=C(N2CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC2)[NH+]=C1	REAL300005206067	1	58	0.0	-73.26	434.45	8.22	-65.04
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005206068	1	52	0.0	-63.44	396.61	8.79	-54.65
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005206068	1	52	0.0	-61.08	392.82	8.72	-52.36
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005206089	1	47	0.0	-80.10	379.20	6.64	-73.46
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300005206111	1	48	0.0	-80.73	379.02	6.23	-74.50
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005206115	0	59	0.0	-76.81	443.53	10.16	-66.65
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005206115	1	59	0.0	-70.41	444.72	10.24	-60.17
CC(C)[N@@H+]1CCCC1C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005206131	0	52	0.0	-62.47	365.62	7.37	-55.10
CC(C)[N@H+]1CCCC1C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300005206131	1	52	0.0	-57.63	382.18	7.35	-50.28
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005206139	0	60	0.0	-83.40	459.36	9.54	-73.86
C[C@@H](OC(C)(C)C)[C@H](NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300005206153	0	53	0.0	-79.26	399.83	7.22	-72.04
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005206158	0	56	0.0	-76.23	421.27	8.72	-67.51
CCC[N@@H+]1CCCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300005206305	0	55	0.0	-54.65	392.21	8.30	-46.35
CCC[N@H+]1CCCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300005206305	1	55	0.0	-68.04	403.62	8.21	-59.83
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300005206333	1	53	0.0	-60.88	392.57	4.35	-56.53
CC(C)[N@@H+]1CCCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300005206516	0	55	0.0	-56.81	393.06	8.14	-48.67
CC(C)[N@H+]1CCCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300005206516	1	55	0.0	-59.00	391.76	8.21	-50.79
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005206517	0	49	0.0	-72.06	365.62	6.87	-65.19
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005206517	1	49	0.0	-79.41	360.82	7.23	-72.18
CC1=C(C)[NH+]=C(CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)N1	REAL300005206539	1	50	0.0	-62.71	390.13	6.48	-56.23
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300005206932	0	55	0.0	-79.94	420.55	9.52	-70.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005206940	0	56	0.0	-84.50	426.89	8.47	-76.03
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005207033	0	62	0.0	-73.08	458.81	11.15	-61.93
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005207035	1	60	0.0	-85.50	445.93	8.80	-76.70
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005207035	1	60	0.0	-84.12	441.73	8.79	-75.33
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300005207063	0	49	0.0	-73.52	369.43	6.93	-66.59
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300005207067	0	55	0.0	-54.42	386.22	7.76	-46.66
CC1=[NH+]C=C2C=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=CN21	REAL300005207071	0	47	0.0	-67.95	372.00	8.43	-59.52
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300005207121	0	58	0.0	-67.57	421.37	8.86	-58.71
CC(C)C[N@H+]1CCCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300005207121	1	58	0.0	-59.01	411.05	9.03	-49.98
CC[N@@H+]1CCCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300005207122	0	52	0.0	-57.36	375.88	7.68	-49.68
CC[N@H+]1CCCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300005207122	1	52	0.0	-59.92	376.42	7.63	-52.29
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300005207127	0	49	0.0	-70.36	364.49	6.81	-63.55
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005207127	1	49	0.0	-66.23	360.73	6.75	-59.48
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300005207129	1	49	0.0	-77.75	380.72	6.94	-70.81
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300005207137	1	51	0.0	-61.80	375.94	7.85	-53.95
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300005207137	1	51	0.0	-55.13	376.46	7.39	-47.74
CC1CCC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005208200	0	53	0.0	-78.72	393.56	11.08	-67.64
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CCC(C)C3)CN21	REAL300005209488	1	45	0.0	-65.13	340.86	8.60	-56.53
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CCC(C)C3)CC2)=CS1	REAL300005209540	1	52	0.0	-78.08	401.01	8.84	-69.24
CC1CCC(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005209602	0	56	0.0	-83.43	426.56	10.60	-72.83
CC1CCC(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300005209608	0	56	0.0	-80.67	426.47	12.93	-67.74
CC1CCC(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300005209608	1	56	0.0	-82.26	426.32	12.92	-69.34
CC1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)(C(=O)[O-])C1	REAL300005209676	0	52	0.0	-78.15	345.04	8.69	-69.46
CC1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)(C(=O)[O-])C1	REAL300005209678	0	52	0.0	-68.85	370.91	9.44	-59.41
CC1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)(C(=O)[O-])C1	REAL300005209678	1	52	0.0	-68.16	370.92	9.46	-58.70
CC1CCC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)(C(=O)[O-])C1	REAL300005209737	0	46	0.0	-86.86	360.84	8.50	-78.36
CC1CCC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)(C(=O)[O-])C1	REAL300005209756	0	54	0.0	-72.07	377.71	7.87	-64.20
CC1CCC(NC(=O)CCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300005209780	1	50	0.0	-76.82	370.77	7.44	-69.38
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCC(C)C2)C=C1)C(C)C	REAL300005209781	0	55	0.0	-83.59	394.74	10.80	-72.79
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCC(C)C2)C=C1)C(C)C	REAL300005209781	1	55	0.0	-85.12	389.90	10.72	-74.40
CC1CCC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005209798	0	50	0.0	-67.47	377.33	10.33	-57.14
CC1CCC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005209798	1	50	0.0	-69.26	375.15	10.22	-59.04
CC1CCC(NC(=O)C2CC[NH+](C3CCSC3)CC2)(C(=O)[O-])C1	REAL300005209799	0	51	0.0	-81.76	375.28	9.72	-72.04
CC1CCC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)(C(=O)[O-])C1	REAL300005209821	0	54	0.0	-69.52	368.20	7.45	-62.07
CC(C(=O)NC1(C(=O)[O-])CCC(C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300005209824	0	49	0.0	-59.51	365.57	9.78	-49.73
CC(C(=O)NC1(C(=O)[O-])CCC(C)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005209824	1	49	0.0	-59.12	365.60	9.74	-49.38
CC1CCC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005209832	0	56	0.0	-73.07	416.27	11.84	-61.23
CC1CCC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005209832	1	56	0.0	-55.54	407.47	11.88	-43.66
CC1CCC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)(C(=O)[O-])C1	REAL300005209849	0	45	0.0	-82.83	345.54	7.89	-74.94
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300005209856	0	54	0.0	-70.77	395.06	10.07	-60.70
CC1CCC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)(C(=O)[O-])C1	REAL300005209874	0	50	0.0	-87.03	374.57	10.51	-76.52
CC1CCC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)(C(=O)[O-])C1	REAL300005209879	0	53	0.0	-77.22	391.33	11.20	-66.02
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CCC(C)C3)CC2)CC1	REAL300005209885	0	61	0.0	-76.17	423.37	8.57	-67.60
CC1CCC(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)(C(=O)[O-])C1	REAL300005209892	1	57	0.0	-88.61	424.64	10.24	-78.37
CC1CCC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005209901	1	54	0.0	-81.45	399.05	10.05	-71.40
CC1CCC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005209901	1	54	0.0	-77.88	407.02	10.13	-67.75
CC1=C(C(=O)NC2(C(=O)[O-])CCC(C)C2)C=NN1C1=CC=[NH+]C=C1	REAL300005209915	1	44	0.0	-82.31	347.22	7.67	-74.64
CC1CCC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300005209918	0	53	0.0	-87.15	391.31	11.22	-75.93
CC1CCC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C1	REAL300005209929	1	46	0.0	-79.52	355.02	7.99	-71.53
CC1CCC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005209930	0	49	0.0	-90.96	372.25	10.20	-80.76
CC1CCC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005209934	1	51	0.0	-78.75	379.38	9.26	-69.49
CC1CCC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005209934	1	51	0.0	-83.10	386.76	9.47	-73.63
CC(C(=O)NC1(C(=O)[O-])CCC(C)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005209943	0	59	0.0	-61.86	430.70	12.29	-49.57
CC1CCC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005209972	0	49	0.0	-62.71	371.64	10.19	-52.52
CC1CCC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005209972	1	49	0.0	-63.00	370.75	10.21	-52.79
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300005209973	0	53	0.0	-67.48	400.67	6.47	-61.01
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300005209973	1	53	0.0	-70.65	400.68	6.47	-64.18
CC1CCC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005209980	0	58	0.0	-74.98	426.80	9.99	-64.99
CC1CCC(NC(=O)C[N@H+](C)C2CCSC2)(C(=O)[O-])C1	REAL300005210002	0	44	0.0	-62.03	331.78	8.02	-54.01
CC1CCC(NC(=O)C[N@@H+](C)C2CCSC2)(C(=O)[O-])C1	REAL300005210002	1	44	0.0	-66.17	331.99	7.99	-58.18
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300005210012	0	54	0.0	-75.36	386.83	7.01	-68.35
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300005210012	1	54	0.0	-66.81	384.34	6.82	-59.99
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300005210013	0	57	0.0	-72.42	409.35	7.84	-64.58
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300005210013	1	57	0.0	-71.34	406.17	7.66	-63.68
CC1CCC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)(C(=O)[O-])C1	REAL300005210015	0	46	0.0	-83.14	355.92	7.38	-75.76
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C(=O)[O-])CCC(C)C3)CC2)=C1	REAL300005210018	0	58	0.0	-70.81	426.71	9.85	-60.96
CC1CCC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005210020	0	55	0.0	-71.16	405.30	9.18	-61.98
CC1CCC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])C1	REAL300005210023	0	52	0.0	-68.44	382.44	9.33	-59.11
CC1CCC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])C1	REAL300005210023	1	52	0.0	-70.20	388.54	9.24	-60.96
CC(C(=O)NC1(C(=O)[O-])CCC(C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005210028	1	50	0.0	-61.23	367.50	10.29	-50.94
CC(C(=O)NC1(C(=O)[O-])CCC(C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005210028	1	50	0.0	-60.48	366.90	10.25	-50.23
CC1CCC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005210047	0	53	0.0	-74.93	395.30	10.92	-64.01
CC1CCC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005210047	1	53	0.0	-75.12	397.30	10.97	-64.15
CC1CCC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005210058	0	46	0.0	-92.39	356.31	7.40	-84.99
CC1CCC(NC(=O)C2=CC=NN2CC[NH+](C)C)(C(=O)[O-])C1	REAL300005210059	0	46	0.0	-55.38	351.11	7.18	-48.20
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300005210060	1	47	0.0	-64.30	358.46	8.97	-55.33
CC1CCC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])C1	REAL300005210071	0	53	0.0	-68.91	393.93	11.16	-57.75
CC1CCC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])C1	REAL300005210071	1	53	0.0	-70.71	400.02	11.07	-59.64
CC1CCC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)(C(=O)[O-])C1	REAL300005210075	0	54	0.0	-70.62	403.06	8.60	-62.02
CC1CCC(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)(C(=O)[O-])C1	REAL300005210110	1	53	0.0	-78.99	394.33	9.41	-69.58
CC1CCC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300005210111	0	53	0.0	-68.52	377.71	9.67	-58.85
CC1CCC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300005210111	1	53	0.0	-63.69	378.02	9.74	-53.95
CC1CCC(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)(C(=O)[O-])C1	REAL300005210136	0	55	0.0	-85.09	409.45	8.77	-76.32
CC1CCC(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300005210137	0	55	0.0	-86.17	409.25	8.79	-77.38
CC1CCC(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)(C(=O)[O-])C1	REAL300005210137	1	55	0.0	-88.03	407.84	8.66	-79.37
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCC(C)C2)C=C1	REAL300005210138	0	56	0.0	-87.15	414.61	10.48	-76.67
CC1CCC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)(C(=O)[O-])C1	REAL300005210215	0	57	0.0	-88.45	423.00	8.52	-79.93
CC1CCC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300005210219	0	46	0.0	-78.80	349.81	9.36	-69.44
CC1CCC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005210220	0	53	0.0	-67.00	393.75	10.97	-56.03
CC1CCC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005210220	1	53	0.0	-67.44	392.60	11.01	-56.43
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300005210261	0	51	0.0	-75.23	369.94	6.35	-68.88
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300005210261	1	51	0.0	-66.95	371.11	6.50	-60.45
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300005210267	1	47	0.0	-63.23	357.92	9.01	-54.22
CC1CCC(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)(C(=O)[O-])C1	REAL300005210314	1	51	0.0	-85.24	385.43	9.79	-75.45
CC1CCC(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)(C(=O)[O-])C1	REAL300005210314	1	51	0.0	-84.68	385.64	9.76	-74.92
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCC(C)C2)O1	REAL300005210354	0	49	0.0	-80.72	371.97	9.06	-71.66
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CCC(C)C3)CC2)[NH+]=C1	REAL300005210355	1	52	0.0	-74.61	386.53	8.93	-65.68
CC1CCC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005210356	1	46	0.0	-63.90	348.32	9.38	-54.52
CC1CCC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005210356	1	46	0.0	-64.43	349.27	9.36	-55.07
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CCC(C)C3)C=C2)CC1	REAL300005210359	0	58	0.0	-87.10	418.66	9.73	-77.37
CC1CCC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)(C(=O)[O-])C1	REAL300005210368	1	41	0.0	-80.58	330.91	7.33	-73.25
CC1CCC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300005210395	0	53	0.0	-74.27	396.12	10.83	-63.44
CC1CCC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300005210395	1	53	0.0	-72.14	397.34	10.84	-61.30
CC1CCC(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005210412	0	54	0.0	-87.74	414.98	10.34	-77.40
CC1CCC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)(C(=O)[O-])C1	REAL300005210426	0	50	0.0	-82.19	377.75	9.58	-72.61
CC1CCC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)(C(=O)[O-])C1	REAL300005210720	0	43	0.0	-70.42	318.31	8.00	-62.42
CC1CCC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)(C(=O)[O-])C1	REAL300005210720	1	43	0.0	-65.61	319.95	7.72	-57.89
CC1CCC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300005211060	0	49	0.0	-81.71	373.33	10.19	-71.52
CC1CCC(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005211065	0	50	0.0	-88.57	379.41	9.14	-79.43
CC1CCC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005211137	0	56	0.0	-70.98	412.21	11.70	-59.28
CC1CCC(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)(C(=O)[O-])C1	REAL300005211139	1	54	0.0	-87.59	398.10	9.46	-78.13
CC1CCC(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)(C(=O)[O-])C1	REAL300005211139	1	54	0.0	-87.65	398.07	9.46	-78.19
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CCC(C)C3)=CN21	REAL300005211163	0	41	0.0	-69.26	323.20	9.15	-60.11
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300005211200	0	52	0.0	-66.22	372.67	9.53	-56.69
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300005211200	1	52	0.0	-66.79	373.57	9.52	-57.27
COC1=CC=C([C@@H](C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300005211290	0	51	0.0	-51.24	390.30	6.95	-44.29
COC1=CC=C([C@@H](C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300005211290	1	51	0.0	-52.58	384.80	6.99	-45.59
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C2=CC=CC=C2)C1	REAL300005211421	0	50	0.0	-44.60	361.61	8.58	-36.02
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C2=CC=CC=C2)C1	REAL300005211421	1	50	0.0	-45.53	367.17	9.15	-36.38
COC1CC(C(=O)[O-])(N(C)C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005212554	0	54	0.0	-79.71	401.11	10.51	-69.20
COC1CC(C(=O)[O-])(N(C)C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300005213879	0	48	0.0	-72.51	353.26	8.21	-64.30
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC3=C[NH+]=C(C)N3C2)C1	REAL300005213904	1	46	0.0	-72.73	349.59	7.64	-65.09
COC1CC(C(=O)[O-])(N(C)C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C1	REAL300005213965	1	53	0.0	-79.54	409.32	8.05	-71.49
COC1CC(C(=O)[O-])(N(C)C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300005213966	1	49	0.0	-73.77	350.81	4.59	-69.18
COC1CC(C(=O)[O-])(N(C)C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300005214036	0	57	0.0	-82.28	437.36	10.07	-72.21
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300005214041	0	57	0.0	-78.82	436.54	12.03	-66.79
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300005214041	1	57	0.0	-77.27	436.49	12.04	-65.23
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300005214093	0	39	0.0	-77.48	318.63	8.63	-68.85
COC1CC(C(=O)[O-])(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300005214118	0	53	0.0	-85.92	353.96	7.76	-78.16
COC1CC(C(=O)[O-])(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300005214121	0	53	0.0	-67.48	381.47	8.96	-58.52
COC1CC(C(=O)[O-])(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300005214121	1	53	0.0	-75.36	380.44	8.92	-66.44
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300005214182	0	47	0.0	-84.15	373.48	6.89	-77.26
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300005214198	0	55	0.0	-81.86	391.80	7.57	-74.29
COC1CC(C(=O)[O-])(N(C)C(=O)CCCN2C=C[NH+]=C2C)C1	REAL300005214226	1	45	0.0	-68.86	354.27	8.23	-60.63
COC1CC(C(=O)[O-])(N(C)C(=O)CCCC[NH+]2CCOCC2)C1	REAL300005214227	1	51	0.0	-75.92	381.56	6.92	-69.00
CC[N@H+](CC1=CC=C(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)C=C1)C(C)C	REAL300005214228	0	56	0.0	-83.13	404.03	9.85	-73.28
CC[N@@H+](CC1=CC=C(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)C=C1)C(C)C	REAL300005214228	1	56	0.0	-83.68	399.65	9.66	-74.02
COC1CC(C(=O)[O-])(N(C)C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005214246	0	51	0.0	-73.67	384.01	9.21	-64.46
COC1CC(C(=O)[O-])(N(C)C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005214246	1	51	0.0	-65.87	384.43	9.61	-56.26
COC1CC(C(=O)[O-])(N(C)C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300005214247	0	52	0.0	-80.16	383.84	9.17	-70.99
COC1CC(C(=O)[O-])(N(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300005214275	0	55	0.0	-68.26	379.83	6.95	-61.31
CCC(C(=O)N(C)C1(C(=O)[O-])CC(OC)C1)[NH+](CC)CC	REAL300005214279	0	49	0.0	-55.48	348.01	7.33	-48.15
COC1CC(C(=O)[O-])(N(C)C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300005214281	0	50	0.0	-62.77	374.28	9.19	-53.58
COC1CC(C(=O)[O-])(N(C)C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300005214281	1	50	0.0	-65.39	378.19	8.65	-56.74
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300005214289	0	57	0.0	-70.61	421.97	11.09	-59.52
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300005214289	1	57	0.0	-70.73	421.75	11.11	-59.62
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300005214305	0	46	0.0	-80.72	355.43	6.88	-73.84
CCC[NH+](CCC)CCCC(=O)N(C)C1(C(=O)[O-])CC(OC)C1	REAL300005214312	0	55	0.0	-69.67	401.37	9.25	-60.42
COC1CC(C(=O)[O-])(N(C)C(=O)CN2C=C[NH+]=C2C(C)C)C1	REAL300005214320	1	45	0.0	-57.84	349.05	7.98	-49.86
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300005214333	0	51	0.0	-86.09	384.64	9.59	-76.50
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300005214338	0	54	0.0	-73.93	401.40	10.29	-63.64
CCN1CCC([NH+]2CCC(C(=O)N(C)C3(C(=O)[O-])CC(OC)C3)CC2)CC1	REAL300005214344	0	62	0.0	-75.50	434.89	8.22	-67.28
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C1	REAL300005214351	1	58	0.0	-88.49	434.70	9.33	-79.16
COC1CC(C(=O)[O-])(N(C)C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005214362	1	55	0.0	-78.75	407.24	9.06	-69.69
COC1CC(C(=O)[O-])(N(C)C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005214362	1	55	0.0	-87.08	420.26	9.26	-77.82
COC1CC(C(=O)[O-])(N(C)C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005214378	1	45	0.0	-86.85	357.46	6.28	-80.57
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300005214381	0	54	0.0	-86.24	401.39	10.30	-75.94
COC1CC(C(=O)[O-])(N(C)C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300005214392	1	47	0.0	-84.77	364.71	7.76	-77.01
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300005214393	0	50	0.0	-89.83	382.32	9.28	-80.55
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C1(C(=O)[O-])CC(OC)C1	REAL300005214398	1	43	0.0	-58.21	333.81	5.84	-52.37
COC1CC(C(=O)[O-])(N(C)C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005214399	1	52	0.0	-73.86	381.81	8.80	-65.06
COC1CC(C(=O)[O-])(N(C)C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005214399	1	52	0.0	-84.03	391.00	8.73	-75.30
COC1CC(C(=O)[O-])(N(C)C(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C1	REAL300005214409	0	60	0.0	-62.61	433.06	11.41	-51.20
COC1CC(C(=O)[O-])(N(C)C(=O)C(C)[NH+]2CCSCC2)C1	REAL300005214438	1	45	0.0	-60.91	338.52	7.16	-53.75
COC1CC(C(=O)[O-])(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300005214444	0	49	0.0	-59.10	352.41	7.74	-51.36
COC1CC(C(=O)[O-])(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300005214444	1	49	0.0	-59.20	351.13	7.62	-51.58
COC1CC(C(=O)[O-])(N(C)C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300005214446	0	50	0.0	-60.86	384.32	9.43	-51.43
COC1CC(C(=O)[O-])(N(C)C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300005214446	1	50	0.0	-61.86	380.76	9.62	-52.24
COCCOCC[N@H+](C)CCC(=O)N(C)C1(C(=O)[O-])CC(OC)C1	REAL300005214447	0	54	0.0	-66.50	411.46	5.95	-60.55
COCCOCC[N@@H+](C)CCC(=O)N(C)C1(C(=O)[O-])CC(OC)C1	REAL300005214447	1	54	0.0	-77.61	410.21	5.95	-71.66
COC1CC(C(=O)[O-])(N(C)C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300005214450	0	48	0.0	-75.32	343.77	4.97	-70.35
COC1CC(C(=O)[O-])(N(C)C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300005214450	1	48	0.0	-74.77	353.46	5.16	-69.61
COC1CC(C(=O)[O-])(N(C)C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005214457	0	59	0.0	-74.07	437.09	9.42	-64.65
CCCCCC[N@H+](C)CC(=O)N(C)C1(C(=O)[O-])CC(OC)C1	REAL300005214459	0	52	0.0	-60.45	385.36	8.94	-51.51
CCCCCC[N@@H+](C)CC(=O)N(C)C1(C(=O)[O-])CC(OC)C1	REAL300005214459	1	52	0.0	-60.23	387.02	8.96	-51.27
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300005214469	1	39	0.0	-79.09	318.76	8.68	-70.41
COC1CC(C(=O)[O-])(N(C)C(=O)C[N@H+](C)C2CCSC2)C1	REAL300005214485	0	45	0.0	-62.87	340.90	7.45	-55.42
COC1CC(C(=O)[O-])(N(C)C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300005214485	1	45	0.0	-64.52	342.78	7.43	-57.09
COC1CC(C(=O)[O-])(N(C)C(=O)CCN2CC[NH+](C(C)C)CC2)C1	REAL300005214499	0	55	0.0	-72.57	398.44	6.52	-66.05
COC1CC(C(=O)[O-])(N(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)C1	REAL300005214499	1	55	0.0	-74.06	394.20	6.33	-67.73
COC1CC(C(=O)[O-])(N(C)C(=O)CCCN2CC[NH+](C(C)C)CC2)C1	REAL300005214500	0	58	0.0	-72.73	415.03	6.93	-65.80
COC1CC(C(=O)[O-])(N(C)C(=O)CCC[NH+]2CCN(C(C)C)CC2)C1	REAL300005214500	1	58	0.0	-70.32	416.64	7.10	-63.22
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300005214501	0	48	0.0	-57.09	335.31	7.21	-49.88
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300005214501	1	48	0.0	-65.01	340.26	7.50	-57.51
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300005214503	0	47	0.0	-99.62	362.61	6.50	-93.12
COC1CC(C(=O)[O-])(N(C)C(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)C1	REAL300005214506	0	59	0.0	-77.92	436.23	9.33	-68.59
COC1CC(C(=O)[O-])(N(C)C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005214508	0	56	0.0	-77.97	414.82	8.66	-69.31
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300005214510	0	53	0.0	-67.54	393.98	8.39	-59.15
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300005214510	1	53	0.0	-61.79	388.14	8.45	-53.34
COC1CC(C(=O)[O-])(N(C)C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300005214515	1	51	0.0	-57.68	378.59	9.57	-48.11
COC1CC(C(=O)[O-])(N(C)C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300005214515	1	51	0.0	-70.39	382.03	9.08	-61.31
COC1CC(C(=O)[O-])(N(C)C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005214538	0	54	0.0	-80.32	408.57	9.90	-70.42
COC1CC(C(=O)[O-])(N(C)C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005214538	1	54	0.0	-80.43	407.73	10.13	-70.30
COC1CC(C(=O)[O-])(N(C)C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300005214551	0	47	0.0	-90.68	365.05	7.16	-83.52
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300005214552	0	47	0.0	-63.95	359.23	6.01	-57.94
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C1(C(=O)[O-])CC(OC)C1	REAL300005214553	1	48	0.0	-63.14	369.25	8.46	-54.68
COC1CC(C(=O)[O-])(N(C)C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1	REAL300005214558	1	48	0.0	-86.38	367.59	6.60	-79.78
COC1CC(C(=O)[O-])(N(C)C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1	REAL300005214558	1	48	0.0	-89.83	364.82	6.75	-83.08
COC1CC(C(=O)[O-])(N(C)C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300005214563	1	45	0.0	-58.39	329.66	5.50	-52.89
COC1CC(C(=O)[O-])(N(C)C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300005214563	1	45	0.0	-84.17	330.48	5.42	-78.75
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005214567	0	54	0.0	-68.91	405.82	10.29	-58.62
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005214567	1	54	0.0	-59.01	401.50	10.17	-48.84
COC1CC(C(=O)[O-])(N(C)C(=O)C(C)C[NH+]2CCOCC2)C1	REAL300005214572	1	48	0.0	-75.94	348.43	5.74	-70.20
COC1CC(C(=O)[O-])(N(C)C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300005214573	0	55	0.0	-69.56	413.85	8.09	-61.47
CC[N@@H+]1CCOC(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)C1	REAL300005214592	1	45	0.0	-76.17	334.00	5.89	-70.28
CC[N@H+]1CCOC(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)C1	REAL300005214592	1	45	0.0	-80.06	337.90	5.63	-74.43
COC1CC(C(=O)[O-])(N(C)C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300005214618	0	54	0.0	-67.96	385.65	9.08	-58.88
COC1CC(C(=O)[O-])(N(C)C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300005214618	1	54	0.0	-67.94	385.68	9.07	-58.87
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300005214634	0	48	0.0	-56.25	343.58	7.65	-48.60
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300005214634	1	48	0.0	-63.20	344.94	7.18	-56.02
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C1	REAL300005214648	0	56	0.0	-82.40	418.44	7.86	-74.54
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C1	REAL300005214649	0	56	0.0	-84.02	418.44	7.87	-76.15
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C1	REAL300005214649	1	56	0.0	-87.15	417.91	7.75	-79.40
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)C=C1	REAL300005214650	0	57	0.0	-83.32	419.74	9.27	-74.05
COC1CC(C(=O)[O-])(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1	REAL300005214657	0	50	0.0	-81.04	360.11	7.32	-73.72
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300005214747	0	58	0.0	-90.66	433.07	7.60	-83.06
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300005214751	0	47	0.0	-75.38	359.89	8.44	-66.94
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005214752	0	54	0.0	-64.86	399.45	10.22	-54.64
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005214752	1	54	0.0	-66.56	393.28	10.35	-56.21
C#CC[NH+]1CCC(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)CC1	REAL300005214800	0	46	0.0	-78.05	349.79	8.14	-69.91
CC[NH+]1CCN(CCC(=O)N(C)C2(C(=O)[O-])CC(OC)C2)CC1	REAL300005214803	0	52	0.0	-74.32	381.70	6.01	-68.31
CCN1CC[NH+](CCC(=O)N(C)C2(C(=O)[O-])CC(OC)C2)CC1	REAL300005214803	1	52	0.0	-66.83	381.40	5.93	-60.90
COC1CC(C(=O)[O-])(N(C)C(=O)CCN2C=C[NH+]=C2C(C)C)C1	REAL300005214810	1	48	0.0	-62.27	368.48	8.49	-53.78
COC1CC(C(=O)[O-])(N(C)C(=O)C(C)[NH+]2CCCCCC2)C1	REAL300005214838	0	50	0.0	-61.71	347.37	7.53	-54.18
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C1	REAL300005214869	1	52	0.0	-67.00	382.24	7.41	-59.59
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C1	REAL300005214869	1	52	0.0	-94.67	394.90	8.86	-85.81
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)O1	REAL300005214913	0	50	0.0	-86.46	382.91	7.98	-78.48
COC1CC(C(=O)[O-])(N(C)C(=O)CCCC[NH+]2CCCC2)C1	REAL300005214914	0	50	0.0	-80.60	373.36	8.63	-71.97
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C1	REAL300005214916	1	53	0.0	-71.58	399.39	7.60	-63.98
COC1CC(C(=O)[O-])(N(C)C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300005214917	1	47	0.0	-62.94	358.34	8.78	-54.16
COC1CC(C(=O)[O-])(N(C)C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300005214917	1	47	0.0	-63.04	359.95	8.79	-54.25
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C1	REAL300005214921	0	59	0.0	-87.83	425.77	8.71	-79.12
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005214933	1	42	0.0	-79.59	336.72	6.40	-73.19
COC1CC(C(=O)[O-])(N(C)C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300005214955	1	43	0.0	-86.69	339.34	6.61	-80.08
COC1CC(C(=O)[O-])(N(C)C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300005214960	0	54	0.0	-67.32	407.61	10.33	-56.99
COC1CC(C(=O)[O-])(N(C)C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300005214960	1	54	0.0	-75.42	399.39	9.74	-65.68
COC1CC(C(=O)[O-])(N(C)C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300005214983	0	55	0.0	-87.25	424.94	9.81	-77.44
COC1CC(C(=O)[O-])(N(C)C(=O)COC2CC[NH+](C)CC2)C1	REAL300005214995	0	48	0.0	-81.49	363.24	7.09	-74.40
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300005215001	0	51	0.0	-85.48	387.88	8.41	-77.07
CCC[N@@H+]1CCCC(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)C1	REAL300005215137	0	50	0.0	-57.49	355.92	8.14	-49.35
CCC[N@H+]1CCCC(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)C1	REAL300005215137	1	50	0.0	-74.29	363.08	7.72	-66.57
COC1CC(C(=O)[O-])(N(C)C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300005215164	0	48	0.0	-63.57	356.72	4.37	-59.20
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@@H+](C(C)C)C2)C1	REAL300005215335	0	50	0.0	-65.89	358.47	7.87	-58.02
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@H+](C(C)C)C2)C1	REAL300005215335	1	50	0.0	-71.30	357.68	7.83	-63.47
COC1CC(C(=O)[O-])(N(C)C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300005215336	0	44	0.0	-81.30	343.49	6.86	-74.44
COC1CC(C(=O)[O-])(N(C)C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300005215336	1	44	0.0	-74.65	330.47	7.05	-67.60
COC1CC(C(=O)[O-])(N(C)C(=O)CCC2=[NH+]C(C)=C(C)N2)C1	REAL300005215360	1	45	0.0	-62.31	353.53	6.61	-55.70
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300005215744	0	50	0.0	-78.34	382.33	9.27	-69.07
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300005215751	0	51	0.0	-85.04	389.70	8.23	-76.81
COC1CC(C(=O)[O-])(N(C)C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005215833	0	57	0.0	-78.74	421.71	11.17	-67.57
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C1	REAL300005215835	1	55	0.0	-96.99	409.69	8.47	-88.52
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C1	REAL300005215835	1	55	0.0	-49.13	395.23	7.35	-41.78
COC1CC(C(=O)[O-])(N(C)C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300005215863	0	50	0.0	-56.43	350.51	7.67	-48.76
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C1	REAL300005215868	0	42	0.0	-72.19	340.05	8.42	-63.77
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@H+](CC(C)C)C2)C1	REAL300005215917	0	53	0.0	-61.85	370.84	8.75	-53.10
COC1CC(C(=O)[O-])(N(C)C(=O)C2CCC[N@@H+](CC(C)C)C2)C1	REAL300005215917	1	53	0.0	-75.56	382.58	8.34	-67.22
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300005215923	1	44	0.0	-92.18	342.61	7.18	-85.00
COC1CC(C(=O)[O-])(N(C)C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300005215931	0	46	0.0	-70.31	338.26	7.63	-62.68
COC1CC(C(=O)[O-])(N(C)C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300005215931	1	46	0.0	-75.20	339.18	7.72	-67.48
CC1=CC=CC(CC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005215992	0	49	0.0	-48.16	377.17	9.86	-38.30
CC1=CC=CC(CC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005215992	1	49	0.0	-48.01	371.76	9.88	-38.13
COC1=CC=CC(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005216101	0	51	0.0	-51.45	381.69	10.12	-41.33
COC1=CC=CC(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005216101	1	51	0.0	-50.18	387.91	10.14	-40.04
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2C[C@@H]2C2=CC=CC=C2)C1	REAL300005216171	0	44	0.0	-50.04	344.87	8.86	-41.18
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2C[C@@H]2C2=CC=CC=C2)C1	REAL300005216171	1	44	0.0	-49.89	338.15	8.85	-41.04
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC3=C2CCC3)C1	REAL300005216246	0	47	0.0	-48.06	360.93	9.25	-38.81
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC3=C2CCC3)C1	REAL300005216246	1	47	0.0	-47.36	361.05	9.23	-38.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CSC(C3=CC4=CC=CC=C4O3)=N2)C1	REAL300005216376	0	49	0.0	-54.18	411.08	8.64	-45.54
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CSC(C3=CC4=CC=CC=C4O3)=N2)C1	REAL300005216376	1	49	0.0	-52.74	411.20	8.62	-44.12
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=CC=CC=C3C(C(F)(F)F)C2)C1	REAL300005216487	0	47	0.0	-51.05	358.87	10.39	-40.66
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC=C3C(C(F)(F)F)C2)C1	REAL300005216487	1	47	0.0	-51.29	365.13	10.35	-40.94
CC1(C)CCCC1(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005217623	0	56	0.0	-79.29	401.45	11.70	-67.59
CC1(C)CCCC1(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300005218958	0	50	0.0	-75.62	349.78	9.34	-66.28
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CCCC3(C)C)CN21	REAL300005218981	1	48	0.0	-64.75	349.60	9.30	-55.45
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCC3(C)C)CC2)=CS1	REAL300005219042	1	55	0.0	-77.66	410.07	9.49	-68.17
CC(C(=O)NC1(C(=O)[O-])CCCC1(C)C)N1CC[NH+](C)CC1	REAL300005219043	1	51	0.0	-68.43	352.88	6.29	-62.14
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300005219114	0	59	0.0	-82.85	436.03	11.32	-71.53
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)=C1	REAL300005219119	0	59	0.0	-82.79	435.24	13.57	-69.22
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)=C1	REAL300005219119	1	59	0.0	-81.72	435.15	13.58	-68.14
CC1(C)CCCC1(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300005219171	0	41	0.0	-73.09	312.13	10.07	-63.02
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CCCC2(C)C)CCCCC1	REAL300005219196	0	55	0.0	-80.02	356.40	9.63	-70.39
C[N@H+](CCC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CCCCC1	REAL300005219199	0	55	0.0	-68.19	380.39	10.16	-58.03
C[N@@H+](CCC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CCCCC1	REAL300005219199	1	55	0.0	-68.21	380.38	10.14	-58.07
CC1(C)CCCC1(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005219260	0	49	0.0	-88.59	369.59	9.13	-79.46
CC1(C)CCCC1(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005219276	0	57	0.0	-80.21	393.69	8.82	-71.39
CC1=[NH+]C=CN1CCCC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219304	1	47	0.0	-68.28	352.94	9.47	-58.81
CC1(C)CCCC1(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300005219305	1	53	0.0	-77.25	378.64	8.08	-69.17
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1)C(C)C	REAL300005219306	0	58	0.0	-85.42	407.05	11.60	-73.82
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1)C(C)C	REAL300005219306	1	58	0.0	-86.56	398.65	11.34	-75.22
CC1(C)CCCC1(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005219324	0	53	0.0	-68.28	385.53	10.94	-57.34
CC1(C)CCCC1(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005219324	1	53	0.0	-68.48	385.60	10.92	-57.56
CC1(C)CCCC1(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005219325	0	54	0.0	-78.29	385.80	10.44	-67.85
CC1(C)CCCC1(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005219353	0	57	0.0	-69.84	379.13	8.25	-61.59
CC(C(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300005219358	0	52	0.0	-59.36	374.35	10.42	-48.94
CC(C(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300005219358	1	52	0.0	-65.01	375.28	10.47	-54.54
CC1(C)CCCC1(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005219366	0	59	0.0	-72.87	425.63	12.58	-60.29
CC1(C)CCCC1(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005219366	1	59	0.0	-54.20	416.75	12.63	-41.57
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C=N1	REAL300005219382	0	48	0.0	-81.48	354.34	8.12	-73.36
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219389	0	57	0.0	-70.87	398.46	10.41	-60.46
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219396	1	47	0.0	-57.26	343.32	9.09	-48.17
CC1(C)CCCC1(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005219409	0	53	0.0	-88.32	383.36	11.15	-77.17
CC1(C)CCCC1(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005219414	0	56	0.0	-76.94	400.10	11.84	-65.10
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCC3(C)C)CC2)CC1	REAL300005219420	0	64	0.0	-72.35	432.87	9.27	-63.08
CC1C[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC3(C)C)C=C2)CC(C)O1	REAL300005219427	1	60	0.0	-90.81	433.44	10.88	-79.93
CC1(C)CCCC1(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005219438	1	57	0.0	-80.47	409.63	10.77	-69.70
CC1(C)CCCC1(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005219438	1	57	0.0	-81.48	409.57	10.77	-70.71
CC1=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300005219454	1	47	0.0	-82.75	356.13	8.33	-74.42
CC1(C)CCCC1(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005219457	0	56	0.0	-88.45	400.11	11.86	-76.59
CC1(C)CCCC1(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300005219468	1	49	0.0	-80.10	365.34	8.69	-71.41
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300005219469	0	52	0.0	-92.40	381.05	10.84	-81.56
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219474	1	45	0.0	-61.22	329.68	7.46	-53.76
CC1(C)CCCC1(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005219475	1	54	0.0	-73.75	396.08	10.21	-63.54
CC1(C)CCCC1(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005219475	1	54	0.0	-83.44	396.20	10.22	-73.22
CC(C(=O)NC1(C(=O)[O-])CCCC1(C)C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005219485	0	62	0.0	-57.40	434.79	12.81	-44.59
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219521	0	52	0.0	-62.79	379.44	10.81	-51.98
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219521	1	52	0.0	-62.56	379.44	10.81	-51.75
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219522	0	56	0.0	-67.97	410.12	7.18	-60.79
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219522	1	56	0.0	-67.98	410.15	7.18	-60.80
C[N@@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300005219525	0	50	0.0	-68.65	349.42	6.59	-62.06
C[N@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300005219525	1	50	0.0	-69.39	339.76	6.40	-62.99
CC1(C)CCCC1(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005219532	0	61	0.0	-75.85	434.67	10.63	-65.22
CCCCCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219534	0	54	0.0	-61.28	384.02	10.13	-51.15
CCCCCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219534	1	54	0.0	-61.46	384.03	10.13	-51.33
CC1(C)CCCC1(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300005219544	1	41	0.0	-81.73	312.43	10.09	-71.64
C[N@H+](CC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CCSC1	REAL300005219560	0	47	0.0	-66.18	339.91	8.64	-57.54
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CCSC1	REAL300005219560	1	47	0.0	-61.76	339.68	8.66	-53.10
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005219573	0	57	0.0	-73.22	395.66	7.64	-65.58
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005219573	1	57	0.0	-67.09	392.22	7.46	-59.63
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005219574	0	60	0.0	-72.42	418.82	8.54	-63.88
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005219574	1	60	0.0	-71.01	415.14	8.32	-62.69
CC1(C)CCCC1(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300005219575	0	50	0.0	-55.79	346.49	9.31	-46.48
CC1(C)CCCC1(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300005219575	1	50	0.0	-55.23	346.60	9.30	-45.93
C[NH+](C)CCN1C=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C=N1	REAL300005219577	0	49	0.0	-83.62	366.30	8.10	-75.52
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C(=O)[O-])CCCC3(C)C)CC2)=C1	REAL300005219580	0	61	0.0	-70.91	434.57	10.49	-60.42
CC1(C)CCCC1(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005219582	0	58	0.0	-70.93	413.17	9.83	-61.10
CC1(C)CCCC1(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005219584	0	55	0.0	-69.72	398.08	9.95	-59.77
CC1(C)CCCC1(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005219584	1	55	0.0	-62.70	391.70	9.99	-52.71
CC(C(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005219589	1	53	0.0	-61.24	376.99	11.02	-50.22
CC(C(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005219589	1	53	0.0	-62.00	380.34	10.91	-51.09
CC1(C)CCCC1(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005219612	0	56	0.0	-76.21	405.29	11.66	-64.55
CC1(C)CCCC1(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005219612	1	56	0.0	-74.22	405.54	11.68	-62.54
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300005219625	0	49	0.0	-91.85	365.08	8.03	-83.82
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219626	0	49	0.0	-59.64	361.91	7.71	-51.93
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219627	1	50	0.0	-63.34	367.92	9.69	-53.65
CC1(C)CCCC1(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005219640	0	56	0.0	-69.52	409.56	11.78	-57.74
CC1(C)CCCC1(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005219640	1	56	0.0	-61.65	403.24	11.91	-49.74
CC(C[NH+]1CCOCC1)C(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219644	1	50	0.0	-69.16	351.68	7.20	-61.96
CC1(C)CCCC1(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005219645	0	57	0.0	-71.52	410.93	9.24	-62.28
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005219688	1	56	0.0	-78.45	403.76	10.11	-68.34
CC1(C)CCCC1(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005219689	0	56	0.0	-67.89	388.50	10.47	-57.42
CC1(C)CCCC1(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005219689	1	56	0.0	-69.77	385.57	10.32	-59.45
CC1(C)CCCC1(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300005219705	0	50	0.0	-62.68	343.72	8.92	-53.76
CC1(C)CCCC1(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300005219705	1	50	0.0	-56.75	349.79	9.50	-47.25
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CCCC3(C)C)=C2)CC1	REAL300005219719	0	58	0.0	-79.43	418.74	9.48	-69.95
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC3(C)C)C=C2)CC1	REAL300005219720	0	58	0.0	-87.72	417.13	9.42	-78.30
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC3(C)C)C=C2)CC1	REAL300005219720	1	58	0.0	-88.02	416.63	9.28	-78.74
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300005219721	0	59	0.0	-87.41	419.74	10.86	-76.55
CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005219728	0	52	0.0	-70.99	357.22	9.16	-61.83
CC1(C)CCCC1(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300005219817	0	60	0.0	-90.92	431.79	9.16	-81.76
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)=C1	REAL300005219821	0	49	0.0	-77.33	360.12	10.08	-67.25
CC1(C)CCCC1(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005219822	0	56	0.0	-62.16	396.89	11.84	-50.32
CC1(C)CCCC1(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005219822	1	56	0.0	-57.87	394.22	11.77	-46.10
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005219869	0	48	0.0	-77.84	349.64	9.28	-68.56
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005219872	0	54	0.0	-75.07	378.41	7.08	-67.99
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005219872	1	54	0.0	-67.11	378.98	7.14	-59.97
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005219879	1	50	0.0	-63.24	367.38	9.72	-53.52
CC(C(=O)NC1(C(=O)[O-])CCCC1(C)C)[NH+]1CCCCCC1	REAL300005219907	0	52	0.0	-55.68	348.95	8.82	-46.86
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCCC3(C)C)=CC=C1N2	REAL300005219938	1	54	0.0	-85.76	394.91	10.48	-75.28
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCCC3(C)C)=CC=C1N2	REAL300005219938	1	54	0.0	-85.43	394.89	10.50	-74.93
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)O1	REAL300005219982	0	52	0.0	-81.48	381.78	9.78	-71.70
CC1(C)CCCC1(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300005219983	0	52	0.0	-74.54	371.70	9.80	-64.74
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CCCC3(C)C)CC2)[NH+]=C1	REAL300005219985	1	55	0.0	-74.71	395.99	9.63	-65.08
C[N@H+](CC(=O)NC1(C(=O)[O-])CCCC1(C)C)CC1=CC=CC=C1	REAL300005219986	1	49	0.0	-63.38	358.63	10.07	-53.31
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCC1(C)C)CC1=CC=CC=C1	REAL300005219986	1	49	0.0	-64.06	357.01	9.97	-54.09
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CCCC3(C)C)C=C2)CC1	REAL300005219990	0	61	0.0	-89.27	428.12	10.43	-78.84
CC1(C)CCCC1(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005220002	1	44	0.0	-81.43	339.71	7.96	-73.47
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)=NO1	REAL300005220024	1	45	0.0	-82.25	340.03	7.57	-74.68
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005220029	0	56	0.0	-73.13	406.65	11.55	-61.58
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300005220029	1	56	0.0	-68.07	397.12	11.31	-56.76
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300005220052	0	57	0.0	-87.77	424.43	11.04	-76.73
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005220064	0	50	0.0	-81.30	361.92	8.30	-73.00
CC1(C)CCCC1(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005220070	0	53	0.0	-82.99	388.07	10.29	-72.70
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300005220208	0	52	0.0	-66.23	365.74	9.57	-56.66
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300005220208	1	52	0.0	-59.01	359.49	9.68	-49.33
CC1(C)CCCC1(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300005220237	1	50	0.0	-62.75	355.76	5.66	-57.09
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300005220407	0	52	0.0	-66.85	360.83	9.35	-57.50
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300005220407	1	52	0.0	-66.86	360.91	9.32	-57.54
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C(C(F)(F)F)C1	REAL300005220408	0	46	0.0	-60.49	345.18	8.37	-52.12
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C(C(F)(F)F)C1	REAL300005220408	1	46	0.0	-83.06	345.98	8.26	-74.80
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CCCC2(C)C)N1	REAL300005220431	1	47	0.0	-63.06	352.21	7.85	-55.21
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)=C1	REAL300005220813	0	52	0.0	-80.21	382.61	10.90	-69.31
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300005220820	0	53	0.0	-89.54	388.34	9.79	-79.75
CC1(C)CCCC1(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005220903	0	59	0.0	-70.85	421.68	12.41	-58.44
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC3(C)C)C=C2)CCO1	REAL300005220905	1	57	0.0	-88.42	407.52	10.22	-78.20
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC3(C)C)C=C2)CCO1	REAL300005220905	1	57	0.0	-88.59	407.54	10.23	-78.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300005220931	0	52	0.0	-53.78	351.07	9.05	-44.73
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CCCC3(C)C)=CN21	REAL300005220936	0	44	0.0	-69.82	333.60	9.85	-59.97
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300005220984	0	55	0.0	-68.08	383.35	10.27	-57.81
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300005220984	1	55	0.0	-66.71	383.15	10.27	-56.44
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)O1	REAL300005220990	1	46	0.0	-85.42	346.50	8.41	-77.01
CC1(C)CCCC1(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300005220998	1	48	0.0	-70.35	332.94	9.25	-61.10
CC1(C)CCCC1(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300005220998	1	48	0.0	-64.45	332.57	9.50	-54.95
CC1(C)CCCC1(CO)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005221037	0	50	0.0	-45.78	350.19	6.35	-39.43
CC1(C)CCCC1(CO)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005221037	1	50	0.0	-46.45	351.98	6.47	-39.98
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NN(CC(F)(F)F)C=C2)C1	REAL300005221142	0	43	0.0	-54.04	358.97	6.48	-47.56
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NN(CC(F)(F)F)C=C2)C1	REAL300005221142	1	43	0.0	-51.83	352.79	6.45	-45.38
CCC1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC[N@H+](C)C1	REAL300005221223	0	47	0.0	-76.95	345.64	8.98	-67.97
CCC1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC[N@@H+](C)C1	REAL300005221223	1	47	0.0	-87.39	352.28	8.68	-78.71
CCC1CN(C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC[N@H+](C)C1	REAL300005221224	0	50	0.0	-79.11	361.61	10.43	-68.68
CCC1CN(C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC[N@@H+](C)C1	REAL300005221224	1	50	0.0	-92.47	372.91	10.09	-82.38
CCOC1=CC(C(=O)N2CC[N@H+](C)CC(CC)C2)=CC=C1OCC(=O)[O-]	REAL300005221225	0	54	0.0	-81.67	396.97	9.70	-71.97
CCOC1=CC(C(=O)N2CC[N@@H+](C)CC(CC)C2)=CC=C1OCC(=O)[O-]	REAL300005221225	1	54	0.0	-82.83	398.73	9.78	-73.05
CCC1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC[N@H+](C)C1	REAL300005221226	0	49	0.0	-81.56	367.81	10.82	-70.74
CCC1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+](C)C1	REAL300005221226	1	49	0.0	-81.57	367.91	10.83	-70.74
CCC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC[N@H+](C)C1	REAL300005221227	0	47	0.0	-80.31	351.19	10.35	-69.96
CCC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+](C)C1	REAL300005221227	1	47	0.0	-79.95	356.14	10.20	-69.75
CCC1CN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC[N@H+](C)C1	REAL300005221228	0	51	0.0	-76.22	402.10	5.93	-70.29
CCC1CN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC[N@@H+](C)C1	REAL300005221228	1	51	0.0	-80.75	401.56	5.66	-75.09
CCC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@H+](C)C1	REAL300005221229	0	45	0.0	-79.24	344.26	9.40	-69.84
CCC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@@H+](C)C1	REAL300005221229	1	45	0.0	-54.63	342.71	9.14	-45.49
CCC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@H+](C)C1	REAL300005221230	0	45	0.0	-79.24	344.26	9.40	-69.84
CCC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@@H+](C)C1	REAL300005221230	1	45	0.0	-54.63	342.71	9.14	-45.49
CCC1CN(C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)CC[N@H+](C)C1	REAL300005221231	0	53	0.0	-80.62	380.64	10.14	-70.48
CCC1CN(C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)CC[N@@H+](C)C1	REAL300005221231	1	53	0.0	-81.26	398.18	10.60	-70.66
CCC1CN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC[N@H+](C)C1	REAL300005221232	0	50	0.0	-69.58	377.72	10.24	-59.34
CCC1CN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC[N@@H+](C)C1	REAL300005221232	1	50	0.0	-75.26	380.87	10.15	-65.11
CCC1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC[N@H+](C)C1	REAL300005221233	0	49	0.0	-74.41	359.35	10.58	-63.83
CCC1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC[N@@H+](C)C1	REAL300005221233	1	49	0.0	-73.37	358.97	10.56	-62.81
CCC1CN(C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)CC[N@H+](C)C1	REAL300005221234	0	53	0.0	-81.43	394.09	10.91	-70.52
CCC1CN(C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)CC[N@@H+](C)C1	REAL300005221234	1	53	0.0	-80.28	390.31	10.34	-69.94
CCC1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC[N@H+](C)C1	REAL300005221235	0	46	0.0	-88.76	346.42	10.00	-78.76
CCC1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+](C)C1	REAL300005221235	1	46	0.0	-90.16	346.38	10.01	-80.15
CCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC[N@H+](C)C1	REAL300005221236	0	43	0.0	-74.96	313.00	8.64	-66.32
CCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC[N@@H+](C)C1	REAL300005221236	1	43	0.0	-78.78	326.99	8.44	-70.34
CCC1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC[N@H+](C)C1	REAL300005221237	0	46	0.0	-91.28	348.75	10.20	-81.08
CCC1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+](C)C1	REAL300005221237	1	46	0.0	-92.76	346.48	10.03	-82.73
CCC1CN(C(=O)C2=CC=C(C(=O)[O-])C(C)=N2)CC[N@H+](C)C1	REAL300005221238	0	45	0.0	-63.47	338.78	8.79	-54.68
CCC1CN(C(=O)C2=CC=C(C(=O)[O-])C(C)=N2)CC[N@@H+](C)C1	REAL300005221238	1	45	0.0	-65.10	333.22	8.47	-56.63
CCC1CN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC[N@H+](C)C1	REAL300005221239	0	43	0.0	-80.57	337.69	9.41	-71.16
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O=C([O-])C1=NOC2(CCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C2)C1	REAL300005224923	1	51	0.0	-77.20	399.24	7.72	-69.48
CC(C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005224928	1	49	0.0	-67.79	376.88	8.72	-59.07
CC(C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005224928	1	49	0.0	-67.28	372.72	8.50	-58.78
CCC(CC)C(C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1)[NH+]1CCOCC1	REAL300005224945	1	55	0.0	-63.24	383.89	6.52	-56.72
O=C([O-])C1=NOC2(CCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C2)C1	REAL300005224951	0	52	0.0	-78.67	407.83	9.66	-69.01
O=C([O-])C1=NOC2(CCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C2)C1	REAL300005224951	1	52	0.0	-75.12	408.40	9.63	-65.49
C[NH+](C)CCN1C=CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=N1	REAL300005224966	0	45	0.0	-88.01	365.85	6.07	-81.94
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005224967	0	45	0.0	-64.74	357.96	5.55	-59.19
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005224973	1	46	0.0	-67.31	370.16	7.66	-59.65
CC[C@@H]1[C@@H](C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)CC[N@@H+]1C	REAL300005224976	0	45	0.0	-75.22	335.32	5.93	-69.29
CC[C@@H]1[C@@H](C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)CC[N@H+]1C	REAL300005224976	1	45	0.0	-69.33	339.89	6.43	-62.90
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=NN1	REAL300005224979	1	46	0.0	-80.71	366.95	5.63	-75.08
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=NN1	REAL300005224979	1	46	0.0	-76.66	367.29	5.59	-71.07
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005224980	1	41	0.0	-63.85	328.30	6.15	-57.70
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005224980	1	41	0.0	-67.38	332.22	6.51	-60.87
CC1C[N@H+](C)CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005224988	1	43	0.0	-68.70	338.00	5.44	-63.26
CC1C[N@@H+](C)CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005224988	1	43	0.0	-66.30	330.49	5.24	-61.06
O=C([O-])C1=NOC2(CCN(C(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)C2)C1	REAL300005224994	0	52	0.0	-73.33	411.63	9.57	-63.76
O=C([O-])C1=NOC2(CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)C2)C1	REAL300005224994	1	52	0.0	-63.14	410.70	9.56	-53.58
O=C([O-])C1=NOC2(CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C2)C1	REAL300005224995	1	48	0.0	-69.31	377.38	6.88	-62.43
O=C([O-])C1=NOC2(CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C2)C1	REAL300005224995	1	48	0.0	-69.23	376.72	6.97	-62.26
CC(C[NH+]1CCOCC1)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225000	0	46	0.0	-74.79	349.90	4.84	-69.95
O=C([O-])C1=NOC2(CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)C2)C1	REAL300005225001	0	53	0.0	-78.89	413.48	7.20	-71.69
CC1CC[NH+](CC(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005225011	0	45	0.0	-67.74	346.75	6.90	-60.84
CC[N@@H+]1CCOC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005225026	1	43	0.0	-72.23	327.28	5.17	-67.06
CC[N@H+]1CCOC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005225026	1	43	0.0	-75.51	333.67	5.34	-70.17
C[N@@H+]1CCCC1CCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225072	0	45	0.0	-76.00	350.33	6.93	-69.07
C[N@H+]1CCCC1CCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225072	1	45	0.0	-71.77	346.13	6.48	-65.29
O=C([O-])C1=NOC2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1	REAL300005225085	0	46	0.0	-73.10	330.66	6.06	-67.04
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225089	0	43	0.0	-66.75	324.90	2.04	-64.71
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225089	1	43	0.0	-72.08	324.79	1.94	-70.14
O=C([O-])C1=NOC2(CCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)C1	REAL300005225090	0	46	0.0	-64.70	344.51	6.86	-57.84
O=C([O-])C1=NOC2(CCN(C(=O)C3CCC4CCCC[N@H+]43)C2)C1	REAL300005225090	1	46	0.0	-66.90	342.79	6.85	-60.05
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225098	0	49	0.0	-68.75	353.34	4.97	-63.78
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C=N1	REAL300005225103	0	52	0.0	-76.62	396.37	6.86	-69.76
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C=N1	REAL300005225103	1	52	0.0	-81.17	401.85	6.70	-74.47
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)=C2)CC1	REAL300005225108	0	54	0.0	-67.87	414.46	6.85	-61.02
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)C=C2)CC1	REAL300005225109	0	54	0.0	-67.93	414.50	6.87	-61.06
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)C=C2)CC1	REAL300005225109	1	54	0.0	-77.19	415.74	6.79	-70.40
CC1CCC(C)[NH+]1CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225250	0	45	0.0	-67.34	339.80	6.41	-60.93
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=C1	REAL300005225251	0	45	0.0	-72.28	357.72	7.49	-64.79
O=C([O-])C1=NOC2(CCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C2)C1	REAL300005225252	0	52	0.0	-66.97	396.59	9.65	-57.32
O=C([O-])C1=NOC2(CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C2)C1	REAL300005225252	1	52	0.0	-74.91	394.76	9.40	-65.51
C#CC[NH+]1CCC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005225320	0	44	0.0	-78.14	353.64	7.16	-70.98
CCC[N@@H+]1CCCCC1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225322	0	48	0.0	-67.13	362.78	7.35	-59.78
CCC[N@H+]1CCCCC1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225322	1	48	0.0	-62.55	362.08	7.28	-55.27
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225323	0	45	0.0	-58.30	348.48	7.70	-50.60
CC(C)C(C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1)[NH+]1CCCCC1	REAL300005225326	0	51	0.0	-63.26	368.90	8.09	-55.17
C[NH+](C)C(C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1)C1=CC=CC=C1	REAL300005225327	1	45	0.0	-63.23	354.56	7.63	-55.60
O=C([O-])C1=NOC2(CCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C2)C1	REAL300005225331	0	50	0.0	-70.13	396.21	5.84	-64.29
O=C([O-])C1=NOC2(CCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C2)C1	REAL300005225331	1	50	0.0	-73.86	395.29	5.85	-68.01
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225337	1	46	0.0	-63.34	368.52	7.60	-55.74
C[NH+](C)CC1=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)OC2=CC=CC=C21	REAL300005225338	0	48	0.0	-61.33	386.45	8.27	-53.06
O=C([O-])C1=NOC2(CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)C1	REAL300005225344	0	49	0.0	-64.19	361.72	7.79	-56.40
O=C([O-])C1=NOC2(CCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)C1	REAL300005225344	1	49	0.0	-69.32	358.77	7.88	-61.44
CC(C)C(C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1)[NH+]1CC(C)OC(C)C1	REAL300005225373	1	55	0.0	-66.86	402.67	7.21	-59.65
CC(C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1)[NH+]1CCCCCC1	REAL300005225374	0	48	0.0	-64.87	351.71	6.74	-58.13
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)=CC=C1N2	REAL300005225411	1	50	0.0	-81.61	390.83	7.80	-73.81
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)=CC=C1N2	REAL300005225411	1	50	0.0	-90.05	391.16	7.79	-82.26
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005225466	0	48	0.0	-72.17	379.94	7.66	-64.51
O=C([O-])C1=NOC2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1	REAL300005225467	0	48	0.0	-74.56	374.25	7.75	-66.81
CC1=CC=C(N2CCC(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)CC2)[NH+]=C1	REAL300005225469	1	51	0.0	-59.03	397.53	7.39	-51.64
C[N@H+](CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1)CC1=CC=CC=C1	REAL300005225470	1	45	0.0	-71.52	360.84	8.03	-63.49
C[N@@H+](CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1)CC1=CC=CC=C1	REAL300005225470	1	45	0.0	-75.52	359.59	8.00	-67.52
O=C([O-])C1=NOC2(CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)C1	REAL300005225492	1	40	0.0	-76.73	337.26	5.45	-71.28
C[NH+](C)CC1=CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=NO1	REAL300005225522	1	41	0.0	-79.00	338.09	5.60	-73.40
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225526	0	52	0.0	-71.76	404.13	9.50	-62.26
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225526	1	52	0.0	-74.99	404.05	9.51	-65.48
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225543	0	45	0.0	-67.36	332.83	6.66	-60.70
CC(C)[N@H+]1CCCC1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225543	1	45	0.0	-65.62	334.70	6.83	-58.79
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C=C1	REAL300005225550	0	53	0.0	-81.20	424.48	8.88	-72.32
C[NH+]1CCC(OCC(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005225570	0	46	0.0	-75.58	363.02	6.58	-69.00
O=C([O-])C1=NOC2(CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C2)C1	REAL300005225575	0	49	0.0	-79.04	385.03	8.06	-70.98
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)[C@@H](C(F)(F)F)C1	REAL300005225619	0	51	0.0	-71.14	394.28	7.43	-63.71
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)[C@@H](C(F)(F)F)C1	REAL300005225619	1	51	0.0	-67.66	392.44	7.47	-60.19
CCC[N@@H+]1CCCC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005225770	0	48	0.0	-61.00	356.76	7.35	-53.65
CCC[N@H+]1CCCC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005225770	1	48	0.0	-70.77	367.67	7.33	-63.44
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225803	0	48	0.0	-66.76	364.66	7.41	-59.35
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005225803	1	48	0.0	-65.98	355.43	7.62	-58.36
O=C([O-])C1=NOC2(CCN(C(=O)C[NH+]3CCC(CO)CC3)C2)C1	REAL300005225804	0	46	0.0	-68.77	357.58	3.59	-65.18
O=C([O-])C1=NOC2(CCN(C(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)C2)C1	REAL300005225903	0	53	0.0	-60.10	405.42	9.61	-50.49
O=C([O-])C1=NOC2(CCN(C(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)C2)C1	REAL300005225903	1	53	0.0	-80.45	410.70	9.63	-70.82
O=C([O-])C1=NOC2(CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC(F)=C3)C2)C1	REAL300005225942	1	52	0.0	-75.48	398.37	9.31	-66.17
O=C([O-])C1=NOC2(CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC(F)=C3)C2)C1	REAL300005225942	1	52	0.0	-66.62	399.66	9.31	-57.31
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005226033	0	48	0.0	-55.01	352.18	7.23	-47.78
CC(C)[N@H+]1CCCC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005226033	1	48	0.0	-55.98	352.24	7.14	-48.84
C[N@@H+]1CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C(C(F)(F)F)C1	REAL300005226034	0	42	0.0	-75.04	332.49	6.33	-68.71
C[N@H+]1CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C(C(F)(F)F)C1	REAL300005226034	1	42	0.0	-75.50	343.39	5.94	-69.56
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)N1	REAL300005226057	1	43	0.0	-67.70	353.17	5.72	-61.98
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=C1	REAL300005226553	0	48	0.0	-73.88	380.15	8.33	-65.55
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C=C1	REAL300005226560	0	49	0.0	-74.54	387.47	7.27	-67.27
O=C([O-])C1=NOC2(CCN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)C2)C1	REAL300005226661	0	55	0.0	-74.86	423.85	10.40	-64.46
CC1CN(CC2=CC=C(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)C=C2)CCO1	REAL300005226663	0	53	0.0	-80.85	410.23	7.62	-73.23
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)C=C2)CCO1	REAL300005226663	1	53	0.0	-83.53	411.66	7.69	-75.84
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)C=C2)CCO1	REAL300005226663	1	53	0.0	-83.53	411.66	7.69	-75.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005226709	0	48	0.0	-63.85	351.45	6.83	-57.02
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)=CN21	REAL300005226713	0	40	0.0	-68.96	339.91	7.57	-61.39
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005226775	0	51	0.0	-69.04	380.03	7.86	-61.18
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005226775	1	51	0.0	-68.08	379.82	7.85	-60.23
CC[N@@H+]1CCCC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005226776	0	45	0.0	-72.62	345.53	6.58	-66.04
CC[N@H+]1CCCC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005226776	1	45	0.0	-56.67	335.59	6.63	-50.04
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005226782	1	42	0.0	-80.03	343.43	6.18	-73.85
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005226788	0	51	0.0	-66.61	356.48	6.57	-60.04
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005226788	1	51	0.0	-73.49	355.86	6.57	-66.92
O=C([O-])C1=NOC2(CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)C1	REAL300005226791	1	44	0.0	-63.93	336.27	7.81	-56.12
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005226796	0	54	0.0	-71.00	389.32	7.29	-63.71
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300005226797	0	58	0.0	-79.95	424.37	7.80	-72.15
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300005226798	0	54	0.0	-81.34	393.12	7.42	-73.92
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])S2)CC1	REAL300005226799	0	51	0.0	-64.01	383.60	6.45	-57.56
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300005226800	0	53	0.0	-56.34	391.41	5.80	-50.54
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005226801	0	60	0.0	-76.09	435.40	8.78	-67.31
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300005226802	0	53	0.0	-84.88	385.42	5.52	-79.36
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005226803	0	58	0.0	-75.91	423.85	8.48	-67.43
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300005226804	0	56	0.0	-72.53	417.47	7.95	-64.58
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300005226805	0	56	0.0	-72.53	417.47	7.95	-64.58
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300005226806	0	51	0.0	-57.32	379.72	5.91	-51.41
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CCC2=CC=CC=C2C(=O)[O-])CC1	REAL300005226807	0	60	0.0	-73.96	426.67	8.52	-65.44
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300005226808	0	57	0.0	-85.26	414.00	7.96	-77.30
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC2)CC1	REAL300005226809	0	51	0.0	-54.96	363.84	6.09	-48.87
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC2)CC1	REAL300005226810	0	51	0.0	-54.96	363.84	6.09	-48.87
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2CCCC(C(=O)[O-])C2)CC1	REAL300005226811	0	60	0.0	-82.69	412.71	7.50	-75.19
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300005226812	0	53	0.0	-69.72	385.20	5.52	-64.20
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300005226813	0	53	0.0	-60.99	386.56	5.45	-55.54
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CC(C)(C)CC(=O)[O-])CC1	REAL300005226814	0	59	0.0	-71.92	398.49	6.72	-65.20
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300005226815	0	54	0.0	-71.60	393.84	7.36	-64.24
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CN=C(C(=O)[O-])C=N2)CC1	REAL300005226816	0	52	0.0	-63.25	382.14	3.59	-59.66
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300005226817	0	60	0.0	-71.61	415.42	7.53	-64.08
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300005226818	0	60	0.0	-75.10	408.93	7.38	-67.72
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005226819	0	57	0.0	-84.74	414.00	7.97	-76.77
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005226820	0	53	0.0	-85.64	391.14	3.95	-81.69
CC1=NC(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300005226821	0	56	0.0	-61.23	402.45	5.94	-55.29
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005226822	0	54	0.0	-71.00	389.32	7.29	-63.71
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300005226823	0	57	0.0	-76.67	396.62	6.84	-69.83
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300005226824	0	57	0.0	-73.55	415.30	8.19	-65.36
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=C(CC(=O)[O-])OC=C2)CC1	REAL300005226825	0	54	0.0	-79.45	391.79	6.20	-73.25
CC1=COC(CC(=O)[O-])=C1C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226826	0	57	0.0	-72.64	418.63	6.82	-65.82
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300005226827	0	53	0.0	-71.95	386.91	5.56	-66.39
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C23CC(C(=O)[O-])(C2)C3)CC1	REAL300005226828	0	55	0.0	-67.91	396.55	6.99	-60.92
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CCC2)CC1	REAL300005226829	0	54	0.0	-60.47	375.95	6.17	-54.30
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C(C)(C)C(=O)[O-])CC1	REAL300005226830	0	53	0.0	-77.69	369.21	6.51	-71.18
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CC2CCC(C(=O)[O-])CC2)CC1	REAL300005226831	0	63	0.0	-79.31	434.13	8.22	-71.09
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	REAL300005226832	0	61	0.0	-80.36	427.25	7.91	-72.45
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300005226833	0	64	0.0	-73.08	432.88	8.20	-64.88
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CC(C)(C)CC(=O)[O-])CC1	REAL300005226834	0	59	0.0	-71.92	398.49	6.72	-65.20
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CCCC(=O)[O-])CC1	REAL300005226835	0	53	0.0	-75.55	376.13	5.90	-69.65
CC(CC(=O)[O-])CC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226836	0	56	0.0	-74.61	388.74	6.34	-68.27
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300005226837	0	56	0.0	-71.55	411.20	6.60	-64.95
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=NOC(C(=O)[O-])=C2)CC1	REAL300005226838	0	50	0.0	-60.70	370.18	4.86	-55.84
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CCCC2)CC1	REAL300005226839	0	57	0.0	-64.38	393.32	6.86	-57.52
CC1=C(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C=C(C(=O)[O-])O1	REAL300005226840	0	54	0.0	-62.66	392.29	6.34	-56.32
CC1=C(C(=O)[O-])OC(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)=C1	REAL300005226841	0	54	0.0	-57.56	397.46	6.40	-51.16
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300005226842	0	54	0.0	-81.99	396.07	5.44	-76.55
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300005226843	0	55	0.0	-61.43	408.86	6.87	-54.56
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300005226844	0	61	0.0	-51.61	428.91	8.25	-43.36
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300005226845	0	58	0.0	-71.56	420.34	7.59	-63.97
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CCSCC(=O)[O-])CC1	REAL300005226846	0	54	0.0	-69.60	399.16	6.48	-63.12
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300005226847	0	53	0.0	-60.99	386.56	5.45	-55.54
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)COCC(=O)[O-])CC1	REAL300005226848	0	51	0.0	-77.71	368.26	5.15	-72.56
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=NN2C)CC1	REAL300005226849	0	54	0.0	-81.31	388.44	5.17	-76.14
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1	REAL300005226850	0	58	0.0	-75.86	415.52	7.03	-68.83
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C(C)(C)CCC(=O)[O-])CC1	REAL300005226851	0	59	0.0	-78.25	407.29	6.85	-71.40
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300005226852	0	57	0.0	-70.33	411.52	8.06	-62.27
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300005226853	0	58	0.0	-72.77	421.41	8.58	-64.19
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC1	REAL300005226854	0	55	0.0	-73.01	408.41	6.74	-66.27
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC=C2CCC(=O)[O-])CC1	REAL300005226855	0	60	0.0	-81.31	424.19	8.81	-72.50
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)COCC2=C(C(=O)[O-])N=CO2)CC1	REAL300005226856	0	57	0.0	-85.15	422.11	3.03	-82.12
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300005226857	0	55	0.0	-66.17	409.77	6.98	-59.19
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300005226858	0	57	0.0	-76.67	396.62	6.84	-69.83
CC1=CC=C(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300005226859	0	57	0.0	-83.49	405.40	7.85	-75.64
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300005226860	0	53	0.0	-74.11	384.50	5.49	-68.62
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226861	0	56	0.0	-56.44	400.49	6.01	-50.43
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CN2C=CC(C(=O)[O-])=N2)CC1	REAL300005226862	0	54	0.0	-94.73	395.24	5.36	-89.37
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC1	REAL300005226863	0	60	0.0	-92.23	439.01	6.83	-85.40
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300005226864	0	54	0.0	-56.55	381.22	6.34	-50.21
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	REAL300005226865	0	61	0.0	-82.82	432.87	7.25	-75.57
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	REAL300005226866	0	61	0.0	-73.65	435.47	6.09	-67.56
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300005226867	0	54	0.0	-56.55	381.22	6.34	-50.21
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	REAL300005226868	0	51	0.0	-76.85	364.25	6.81	-70.04
CC1=C(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)OC(C(=O)[O-])=C1	REAL300005226869	0	54	0.0	-59.05	393.55	6.36	-52.69
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC1	REAL300005226870	0	62	0.0	-42.25	413.92	8.53	-33.72
CCC(C(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226871	0	53	0.0	-59.30	368.92	5.80	-53.50
CC(C)C(C(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226872	0	56	0.0	-61.91	390.19	6.29	-55.62
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300005226873	0	60	0.0	-81.43	402.71	8.06	-73.37
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005226874	0	62	0.0	-74.32	423.48	4.97	-69.35
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CN2CCCC(C(=O)[O-])C2)CC1	REAL300005226874	1	62	0.0	-74.32	423.48	4.97	-69.35
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005226875	0	51	0.0	-67.36	365.69	5.82	-61.54
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300005226876	0	61	0.0	-58.94	434.96	8.85	-50.09
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2CC3(CC3C(=O)[O-])C2)CC1	REAL300005226877	0	58	0.0	-83.82	411.24	8.68	-75.14
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300005226878	0	54	0.0	-77.31	381.42	6.29	-71.02
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)CC1	REAL300005226879	0	60	0.0	-78.31	420.60	8.37	-69.94
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226880	0	57	0.0	-58.34	405.05	7.82	-50.52
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2CC(C)(C(=O)[O-])C2)CC1	REAL300005226881	0	57	0.0	-64.55	398.33	6.59	-57.96
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=C(C(=O)[O-])SC=C2)CC1	REAL300005226882	0	51	0.0	-84.02	376.72	7.26	-76.76
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=NN2)CC1	REAL300005226883	0	51	0.0	-74.65	377.15	3.95	-70.70
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226884	0	56	0.0	-71.10	394.88	6.02	-65.08
CCCC(C(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226885	0	56	0.0	-62.05	395.62	6.50	-55.55
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226886	0	57	0.0	-70.61	405.36	7.96	-62.65
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300005226887	0	54	0.0	-69.97	401.80	7.79	-62.18
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005226888	0	61	0.0	-75.10	430.29	8.14	-66.96
COC1=CC(C(=O)[O-])=NC(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)=C1	REAL300005226889	0	57	0.0	-56.33	417.16	4.88	-51.45
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])N2C)CC1	REAL300005226890	0	55	0.0	-64.13	388.61	6.70	-57.43
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC=CC2)CC1	REAL300005226891	0	55	0.0	-63.54	385.62	6.72	-56.82
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300005226892	0	60	0.0	-71.59	432.91	8.87	-62.72
CC1=NNC(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)=C1C(=O)[O-]	REAL300005226893	0	54	0.0	-77.26	384.86	5.11	-72.15
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300005226894	0	57	0.0	-62.42	400.20	6.96	-55.46
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300005226895	0	58	0.0	-80.32	418.93	8.47	-71.85
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CSC(C(=O)[O-])=N2)CC1	REAL300005226896	0	50	0.0	-56.09	379.00	4.43	-51.66
COC(C(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226897	0	51	0.0	-56.70	365.38	5.00	-51.70
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])CC1	REAL300005226898	0	54	0.0	-81.77	384.07	6.00	-75.77
CC1=C(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C=C(C(=O)[O-])S1	REAL300005226899	0	54	0.0	-59.95	398.57	7.13	-52.82
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226900	0	57	0.0	-60.65	417.03	7.59	-53.06
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300005226901	0	59	0.0	-78.79	422.87	6.77	-72.02
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C23CC(C(=O)[O-])(C2)CO3)CC1	REAL300005226902	0	56	0.0	-64.27	403.84	5.02	-59.25
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005226903	0	58	0.0	-74.91	423.68	8.37	-66.54
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC2C)CC1	REAL300005226904	0	54	0.0	-58.56	377.65	6.45	-52.11
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300005226905	0	61	0.0	-51.61	428.91	8.25	-43.36
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300005226906	0	54	0.0	-82.57	382.29	6.03	-76.54
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300005226907	0	55	0.0	-60.43	414.48	6.30	-54.13
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300005226908	0	55	0.0	-71.80	414.67	6.43	-65.37
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300005226909	0	55	0.0	-61.93	405.86	5.44	-56.49
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226910	0	57	0.0	-77.70	399.16	7.68	-70.02
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300005226911	0	57	0.0	-76.72	419.63	6.70	-70.02
C=C1CCC1(C(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226912	0	55	0.0	-53.51	389.44	6.75	-46.76
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300005226913	0	51	0.0	-78.02	382.53	6.29	-71.73
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300005226914	0	59	0.0	-78.19	409.04	5.33	-72.86
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300005226915	0	60	0.0	-77.72	425.35	9.38	-68.34
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC1	REAL300005226916	0	60	0.0	-74.69	414.98	7.33	-67.36
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300005226917	0	60	0.0	-85.83	430.70	8.43	-77.40
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300005226918	0	54	0.0	-83.43	405.54	7.11	-76.32
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300005226919	0	57	0.0	-87.09	418.55	7.99	-79.10
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1	REAL300005226920	0	57	0.0	-63.40	399.94	7.06	-56.34
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300005226921	0	64	0.0	-73.08	432.88	8.20	-64.88
CC1=CC(NC(=O)CN2CCCC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1	REAL300005226989	0	42	0.0	-51.63	334.12	8.67	-42.96
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1	REAL300005226989	1	42	0.0	-53.41	333.56	8.20	-45.21
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1	REAL300005226989	1	42	0.0	-51.63	334.12	8.67	-42.96
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300005227112	0	44	0.0	-50.05	362.70	7.22	-42.83
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300005227112	1	44	0.0	-47.49	356.49	7.20	-40.29
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCOC3=CC=CC=C3C2)C1	REAL300005227240	0	48	0.0	-49.82	359.16	7.97	-41.85
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCOC3=CC=CC=C3C2)C1	REAL300005227240	1	48	0.0	-47.99	358.35	7.54	-40.45
C[C@H](COC(C)(C)C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005227316	0	49	0.0	-45.75	364.85	6.52	-39.23
C[C@H](COC(C)(C)C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005227316	1	49	0.0	-46.25	366.01	6.56	-39.69
CC1(C)CN(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005227417	0	56	0.0	-53.19	413.39	7.36	-45.83
CC1(C)CN(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005227417	1	56	0.0	-52.83	408.14	6.89	-45.94
COCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005228746	0	50	0.0	-73.89	390.67	8.19	-65.70
COCCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005229511	0	47	0.0	-59.83	367.93	7.08	-52.75
COCCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005229511	1	47	0.0	-58.77	372.14	7.61	-51.16
COCCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300005230308	0	50	0.0	-64.29	393.01	8.15	-56.14
COCCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300005230369	1	49	0.0	-73.77	398.39	6.00	-67.77
COCCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005230425	0	53	0.0	-77.27	423.92	7.76	-69.51
COCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005230438	0	53	0.0	-78.23	424.96	10.02	-68.21
COCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005230438	1	53	0.0	-78.25	424.96	10.03	-68.22
COCCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005230439	0	53	0.0	-56.33	403.84	8.58	-47.75
COCCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005230479	0	50	0.0	-65.73	405.41	8.26	-57.47
COCCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005230479	1	50	0.0	-57.38	406.82	8.46	-48.92
COCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300005230511	0	49	0.0	-75.80	355.27	6.25	-69.55
COCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005230513	0	49	0.0	-66.35	368.27	6.61	-59.74
COCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005230513	1	49	0.0	-65.50	368.27	6.59	-58.91
COCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005230537	1	50	0.0	-63.76	394.88	8.23	-55.53
COCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005230537	1	50	0.0	-63.55	394.29	8.19	-55.36
COCCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005230538	1	47	0.0	-65.76	381.54	7.80	-57.96
COCCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005230538	1	47	0.0	-63.19	374.23	7.15	-56.04
COCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005230585	0	43	0.0	-77.85	358.42	5.63	-72.22
COCCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300005230590	0	53	0.0	-80.85	423.14	7.76	-73.09
COCCC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300005230615	0	50	0.0	-58.82	362.74	6.88	-51.94
COCCC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300005230615	1	50	0.0	-58.72	362.77	6.88	-51.84
COCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005230616	0	51	0.0	-76.91	381.57	5.27	-71.64
COCCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300005230641	1	47	0.0	-73.48	367.53	4.58	-68.90
CC[N@H+](CC1=CC=C(C(=O)NC(CCOC)C(=O)[O-])C=C1)C(C)C	REAL300005230642	0	52	0.0	-76.18	395.96	8.09	-68.09
CC[N@@H+](CC1=CC=C(C(=O)NC(CCOC)C(=O)[O-])C=C1)C(C)C	REAL300005230642	1	52	0.0	-76.78	387.59	7.61	-69.17
COCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005230663	0	47	0.0	-66.78	373.42	7.40	-59.38
COCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005230663	1	47	0.0	-67.53	375.09	7.44	-60.09
COCCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005230664	0	48	0.0	-72.61	369.67	6.64	-65.97
COCCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300005230685	1	52	0.0	-69.70	403.52	6.25	-63.45
COCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005230686	0	51	0.0	-66.09	366.49	4.90	-61.19
COCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005230689	0	46	0.0	-58.07	364.84	6.98	-51.09
COCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005230689	1	46	0.0	-58.72	364.88	6.92	-51.80
COCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005230698	0	53	0.0	-62.15	407.49	9.21	-52.94
COCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005230698	1	53	0.0	-71.47	413.73	9.00	-62.47
CCC[NH+](CCC)CCCC(=O)NC(CCOC)C(=O)[O-]	REAL300005230735	0	51	0.0	-68.73	392.65	7.16	-61.57
COCCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300005230736	1	51	0.0	-60.74	398.01	4.89	-55.85
CC[N@H+](C)C(C(=O)NC(CCOC)C(=O)[O-])C1=CC=CC=C1	REAL300005230737	0	46	0.0	-54.16	353.72	6.76	-47.40
CC[N@@H+](C)C(C(=O)NC(CCOC)C(=O)[O-])C1=CC=CC=C1	REAL300005230737	1	46	0.0	-52.66	362.62	7.09	-45.57
CC[NH+](CC)C(C(=O)NC(CCOC)C(=O)[O-])C1=CC=CC=C1	REAL300005230741	0	49	0.0	-50.81	362.64	6.93	-43.88
COCCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300005230744	1	43	0.0	-55.85	361.50	6.96	-48.89
COCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005230758	0	47	0.0	-79.71	372.18	7.52	-72.19
COCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005230765	0	50	0.0	-72.94	389.81	8.28	-64.66
CCN1CCC([NH+]2CCC(C(=O)NC(CCOC)C(=O)[O-])CC2)CC1	REAL300005230771	0	58	0.0	-70.61	424.96	5.88	-64.73
COCCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300005230777	1	54	0.0	-83.66	422.25	7.36	-76.30
COCCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005230788	1	51	0.0	-79.20	397.65	7.43	-71.77
COCCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005230788	1	51	0.0	-74.56	403.60	7.51	-67.05
COCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005230802	0	50	0.0	-60.02	388.52	8.16	-51.86
COCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005230802	1	50	0.0	-61.12	379.30	7.93	-53.19
COCCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005230804	1	41	0.0	-79.30	344.27	4.80	-74.50
COCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005230812	0	50	0.0	-80.10	388.67	8.28	-71.82
COCCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300005230823	1	43	0.0	-77.13	353.27	5.10	-72.03
COCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005230824	0	46	0.0	-84.90	370.74	7.28	-77.62
COCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005230831	1	48	0.0	-56.91	376.81	6.88	-50.03
COCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005230831	1	48	0.0	-58.18	377.16	6.80	-51.38
COCCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300005230836	0	57	0.0	-62.68	427.10	9.48	-53.20
COCCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300005230836	1	57	0.0	-65.31	434.29	9.77	-55.54
COCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005230844	0	56	0.0	-56.86	422.71	9.36	-47.50
COCCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005230875	0	46	0.0	-63.04	369.24	7.40	-55.64
COCCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005230875	1	46	0.0	-63.06	369.23	7.39	-55.67
COCCOCC[N@H+](C)CCC(=O)NC(CCOC)C(=O)[O-]	REAL300005230876	0	50	0.0	-66.20	397.40	3.60	-62.60
COCCOCC[N@@H+](C)CCC(=O)NC(CCOC)C(=O)[O-]	REAL300005230876	1	50	0.0	-66.86	398.28	3.58	-63.28
COCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005230885	0	55	0.0	-72.59	423.56	7.12	-65.47
COCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300005230917	0	51	0.0	-71.13	385.45	4.11	-67.02
COCCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300005230917	1	51	0.0	-65.22	380.93	3.95	-61.27
COCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300005230918	0	54	0.0	-68.72	406.70	4.98	-63.74
COCCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300005230918	1	54	0.0	-68.43	402.43	4.75	-63.68
COCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300005230923	0	55	0.0	-69.89	424.30	6.95	-62.94
COCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005230925	0	52	0.0	-69.60	402.90	6.28	-63.32
COCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005230929	0	49	0.0	-68.34	385.92	6.43	-61.91
COCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005230929	1	49	0.0	-67.43	386.08	6.28	-61.15
COCCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005230933	1	47	0.0	-59.11	365.55	7.46	-51.65
COCCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005230933	1	47	0.0	-59.86	364.89	7.57	-52.29
COCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005230960	0	50	0.0	-73.14	394.89	8.24	-64.90
COCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005230960	1	50	0.0	-72.54	392.80	8.18	-64.36
COCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005230985	0	50	0.0	-66.19	390.48	8.44	-57.75
COCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005230985	1	50	0.0	-66.36	396.78	8.24	-58.12
COCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005230988	0	51	0.0	-68.20	399.79	5.73	-62.47
COCCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300005231022	1	50	0.0	-79.89	387.64	6.38	-73.51
COCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005231023	0	50	0.0	-65.66	375.58	6.87	-58.79
COCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005231023	1	50	0.0	-67.11	375.43	6.82	-60.29
COCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300005231039	0	55	0.0	-71.33	423.85	6.95	-64.38
COCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300005231039	1	55	0.0	-72.09	423.52	6.91	-65.18
COCCC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300005231043	0	47	0.0	-57.68	350.90	4.03	-53.65
COCCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005231047	0	56	0.0	-63.93	420.01	6.68	-57.25
COCCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005231047	1	56	0.0	-74.37	412.85	6.18	-68.19
COCCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005231048	0	50	0.0	-74.97	394.10	5.78	-69.19
COCCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005231048	1	50	0.0	-76.08	371.54	4.88	-71.20
COCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300005231053	0	52	0.0	-71.25	406.93	5.86	-65.39
COCCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300005231054	0	52	0.0	-77.69	405.99	5.67	-72.02
COCCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300005231054	1	52	0.0	-81.28	406.33	5.75	-75.53
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300005231055	0	53	0.0	-78.91	409.43	7.30	-71.61
COCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300005231133	0	54	0.0	-83.67	420.66	5.64	-78.03
COCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005231135	0	50	0.0	-64.04	391.01	8.19	-55.85
COCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005231135	1	50	0.0	-65.97	391.18	8.13	-57.84
CC[NH+]1CCN(CCC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300005231185	0	48	0.0	-70.61	367.30	3.51	-67.10
CCN1CC[NH+](CCC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300005231185	1	48	0.0	-65.61	368.70	3.60	-62.01
COCCC(NC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300005231188	0	49	0.0	-57.07	353.17	6.83	-50.24
COCCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005231193	0	48	0.0	-63.77	383.56	4.39	-59.38
COCCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005231193	1	48	0.0	-62.25	383.19	4.48	-57.77
COCCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300005231197	0	46	0.0	-60.02	375.18	6.85	-53.17
CC[NH+](CC)C(C(=O)NC(CCOC)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300005231199	0	52	0.0	-62.50	409.67	8.25	-54.25
COCCC(NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300005231223	1	53	0.0	-53.26	389.60	5.95	-47.31
COCCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005231246	1	48	0.0	-81.03	383.05	6.87	-74.16
COCCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005231246	1	48	0.0	-80.76	383.25	6.86	-73.90
CC[NH+](CC)CC1=CC=C(C(=O)NC(CCOC)C(=O)[O-])O1	REAL300005231297	0	46	0.0	-73.58	365.08	5.90	-67.68
COCCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300005231298	1	49	0.0	-70.35	383.89	6.09	-64.26
COCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300005231301	0	55	0.0	-80.27	416.02	6.88	-73.39
COCCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005231310	1	38	0.0	-77.37	329.40	4.39	-72.98
COCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005231341	0	50	0.0	-74.97	395.44	8.07	-66.90
COCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005231341	1	50	0.0	-75.77	394.82	7.93	-67.84
COCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005231357	0	51	0.0	-81.76	412.59	7.40	-74.36
COCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005231374	0	47	0.0	-76.07	374.94	6.60	-69.47
COCCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300005231401	0	49	0.0	-61.67	383.86	6.19	-55.48
COCCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300005231401	1	49	0.0	-53.13	382.47	6.30	-46.83
COCCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005231612	0	51	0.0	-75.94	398.17	8.48	-67.46
COCCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005231612	1	51	0.0	-63.23	399.43	8.52	-54.71
COCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005231641	1	50	0.0	-66.04	394.88	8.23	-57.81
COCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005231641	1	50	0.0	-66.55	395.14	8.16	-58.39
COCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005231710	0	40	0.0	-67.27	333.56	4.72	-62.55
COCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005231710	1	40	0.0	-79.87	334.45	4.67	-75.20
COCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300005232086	0	46	0.0	-76.10	369.91	7.31	-68.79
COCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005232090	0	47	0.0	-80.30	377.21	6.28	-74.02
COCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005232158	0	53	0.0	-69.65	409.80	8.88	-60.77
COCCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005232160	1	51	0.0	-83.17	395.37	6.67	-76.50
COCCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005232160	1	51	0.0	-82.01	394.82	6.65	-75.36
COCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300005232231	0	49	0.0	-59.58	365.03	6.86	-52.72
COCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300005232231	1	49	0.0	-59.58	365.03	6.86	-52.72
COCCC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300005232236	0	49	0.0	-75.19	360.09	6.06	-69.13
COCCC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005232236	1	49	0.0	-75.19	360.09	6.06	-69.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC2OCC3=CC=CC=C32)C1	REAL300005232296	0	45	0.0	-48.13	352.32	6.81	-41.32
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300005232367	0	44	0.0	-49.18	344.41	8.83	-40.35
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CC2CC2=CC=CC=C2)C1	REAL300005232467	0	50	0.0	-49.13	384.83	10.42	-38.71
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005233609	0	56	0.0	-75.11	421.94	13.70	-61.41
CN(C(=O)C1CC[NH+](C2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005234892	0	50	0.0	-56.06	371.82	11.31	-44.75
CC1=[NH+]C=C2CCC(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])CN12	REAL300005234918	1	48	0.0	-52.69	371.12	11.03	-41.66
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005234985	1	51	0.0	-70.21	375.13	8.41	-61.80
CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235019	0	46	0.0	-58.13	336.85	9.91	-48.22
CN(C(=O)[C@@H]1CCCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235019	1	46	0.0	-59.42	344.08	10.15	-49.27
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235059	0	59	0.0	-76.14	458.47	13.41	-62.73
CN(C(=O)C1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235092	0	46	0.0	-71.71	345.44	10.14	-61.57
CN(C(=O)C1=CN2C=[NH+]C=C2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235117	0	41	0.0	-74.21	339.37	11.89	-62.32
CN(C(=O)C1(C[NH+](C)C)CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235146	0	55	0.0	-75.18	371.56	11.00	-64.18
CN(C(=O)CC[N@H+](C)C1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235150	0	55	0.0	-67.05	402.30	12.16	-54.89
CN(C(=O)CC[N@@H+](C)C1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235150	1	55	0.0	-66.25	402.30	12.15	-54.10
CN(C(=O)C1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235207	0	46	0.0	-71.71	345.44	10.14	-61.57
CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235210	0	49	0.0	-76.27	392.18	11.01	-65.26
CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235225	0	57	0.0	-50.82	406.66	10.56	-40.26
CC1=[NH+]C=CN1CCCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235254	1	47	0.0	-67.31	374.85	11.47	-55.84
CN(C(=O)CCCC[NH+]1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235255	1	53	0.0	-73.78	402.16	10.16	-63.62
CC[N@H+](CC1=CC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1)C(C)C	REAL300005235257	0	58	0.0	-76.57	429.99	13.43	-63.14
CC[N@@H+](CC1=CC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1)C(C)C	REAL300005235257	1	58	0.0	-76.68	420.89	13.02	-63.66
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235294	0	53	0.0	-68.39	403.99	12.86	-55.53
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235294	1	53	0.0	-66.88	408.34	12.96	-53.92
CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235295	0	54	0.0	-61.47	406.25	12.21	-49.26
CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235323	0	57	0.0	-66.56	402.32	10.67	-55.89
CCC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](CC)CC	REAL300005235327	0	51	0.0	-55.78	367.04	10.71	-45.07
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005235329	0	52	0.0	-63.67	398.83	12.53	-51.14
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005235329	1	52	0.0	-62.50	397.12	12.49	-50.01
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235338	0	59	0.0	-57.25	437.25	14.13	-43.12
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235338	1	59	0.0	-58.76	438.34	14.69	-44.07
CN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235351	0	48	0.0	-76.12	376.16	9.84	-66.28
CCC[NH+](CCC)CCCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235357	0	57	0.0	-69.49	423.93	12.62	-56.87
CN(C(=O)C1C[N@H+](C)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235359	1	44	0.0	-70.05	325.09	8.57	-61.48
CN(C(=O)C1C[N@@H+](C)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235359	1	44	0.0	-79.27	336.03	8.78	-70.49
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235367	1	47	0.0	-57.84	371.47	11.45	-46.39
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235382	0	53	0.0	-79.40	406.79	13.03	-66.37
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235388	0	56	0.0	-70.10	422.44	13.63	-56.47
CN(C(=O)C1(C[NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235394	0	46	0.0	-56.70	351.18	10.18	-46.52
CN(C(=O)CCCC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235403	0	48	0.0	-73.48	371.21	10.82	-62.66
CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235413	1	57	0.0	-80.07	433.42	13.06	-67.01
CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235413	1	57	0.0	-79.27	440.20	13.20	-66.07
CC1=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005235425	1	47	0.0	-76.49	379.63	10.20	-66.29
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235428	0	56	0.0	-80.04	421.74	13.68	-66.36
CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235440	1	49	0.0	-76.61	385.47	11.05	-65.56
CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235441	0	52	0.0	-82.81	404.48	12.56	-70.25
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235447	1	45	0.0	-57.08	354.23	9.13	-47.95
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235448	1	54	0.0	-55.65	407.15	12.21	-43.44
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235448	1	54	0.0	-78.18	412.80	12.34	-65.84
CN(C(=O)C[N@H+](C)C1CCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235468	0	46	0.0	-58.68	351.93	10.68	-48.00
CN(C(=O)C[N@@H+](C)C1CCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235468	1	46	0.0	-57.97	352.07	10.53	-47.44
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300005235491	1	47	0.0	-47.70	356.07	10.30	-37.40
CN(C(=O)C[N@H+](C)CC(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235497	0	51	0.0	-60.67	375.64	11.10	-49.57
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235497	1	51	0.0	-59.51	373.66	11.10	-48.41
CN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235499	0	52	0.0	-63.47	404.95	13.16	-50.31
CN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235499	1	52	0.0	-63.74	404.99	13.00	-50.74
COCCOCC[N@H+](C)CCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235500	0	56	0.0	-66.15	432.53	9.29	-56.86
COCCOCC[N@@H+](C)CCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235500	1	56	0.0	-69.06	432.58	9.29	-59.77
CN(C(=O)CC1(O)CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235504	0	50	0.0	-68.49	363.58	8.85	-59.64
CN(C(=O)CC1(O)CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235504	1	50	0.0	-66.44	366.25	8.83	-57.61
CCCCCC[N@H+](C)CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235516	0	54	0.0	-61.85	409.57	12.31	-49.54
CCCCCC[N@@H+](C)CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235516	1	54	0.0	-62.13	409.58	12.31	-49.82
CN(C(=O)C1=CC2=C[NH+]=CN2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235530	1	41	0.0	-76.18	341.72	11.98	-64.20
CN(C(=O)C[N@H+](C)C1CCSC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235544	0	47	0.0	-65.08	363.81	10.91	-54.17
CN(C(=O)C[N@@H+](C)C1CCSC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235544	1	47	0.0	-63.25	366.53	10.95	-52.30
CC(C)[NH+]1CCN(CCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300005235559	0	57	0.0	-69.36	421.21	9.76	-59.60
CC(C)N1CC[NH+](CCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300005235559	1	57	0.0	-65.75	415.55	9.52	-56.23
CC(C)[NH+]1CCN(CCCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300005235560	0	60	0.0	-70.15	435.62	10.17	-59.98
CC(C)N1CC[NH+](CCCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300005235560	1	60	0.0	-69.65	437.05	10.33	-59.32
CN(C(=O)C1CCCC2CCC[N@@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235561	0	50	0.0	-61.05	358.43	10.70	-50.35
CN(C(=O)C1CCCC2CCC[N@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235561	1	50	0.0	-60.47	347.46	10.45	-50.02
CN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235563	0	49	0.0	-78.15	383.92	9.78	-68.37
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235567	0	58	0.0	-69.93	436.69	11.91	-58.02
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235569	0	55	0.0	-67.60	410.79	12.01	-55.59
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235569	1	55	0.0	-61.80	418.49	11.66	-50.14
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005235574	1	53	0.0	-43.67	390.10	12.56	-31.11
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005235574	1	53	0.0	-45.67	389.04	12.56	-33.11
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235593	0	56	0.0	-72.68	428.87	13.80	-58.88
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235593	1	56	0.0	-74.05	431.39	13.83	-60.22
CN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235606	0	49	0.0	-82.62	388.15	10.58	-72.04
CN(C(=O)C1=CC=NN1CC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235607	0	49	0.0	-58.20	381.53	9.69	-48.51
C[C@@H]1[C@H](C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300005235609	0	46	0.0	-71.59	332.46	9.38	-62.21
C[C@@H]1[C@H](C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300005235609	1	46	0.0	-69.49	339.36	9.80	-59.69
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235610	1	50	0.0	-61.05	389.84	11.77	-49.28
CC[C@@H]1[C@@H](C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300005235613	0	49	0.0	-71.99	355.76	10.12	-61.87
CC[C@@H]1[C@@H](C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300005235613	1	49	0.0	-68.71	362.57	10.52	-58.19
CN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235616	1	50	0.0	-80.56	389.68	10.10	-70.46
CN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235616	1	50	0.0	-79.34	389.26	9.97	-69.37
CC1C[N@H+](C)CC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300005235623	1	47	0.0	-59.27	344.38	8.86	-50.41
CC1C[N@@H+](C)CC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300005235623	1	47	0.0	-70.73	346.80	9.15	-61.58
CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235627	0	56	0.0	-70.25	428.43	13.56	-56.69
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235627	1	56	0.0	-62.09	429.81	13.70	-48.39
CC1=[NH+]C=CN1CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235631	1	41	0.0	-60.94	335.27	10.26	-50.68
CC(C[NH+]1CCOCC1)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235633	0	50	0.0	-66.83	370.72	9.09	-57.74
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235634	0	57	0.0	-70.27	434.42	11.31	-58.96
CC1CC[NH+](CC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300005235646	0	49	0.0	-59.34	366.58	11.01	-48.33
CC[N@@H+]1CCOC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005235659	1	47	0.0	-51.51	348.23	9.29	-42.22
CC[N@H+]1CCOC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005235659	1	47	0.0	-54.02	347.41	9.27	-44.75
CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235691	0	56	0.0	-63.43	407.94	12.35	-51.08
CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235691	1	56	0.0	-54.56	400.70	12.06	-42.50
CN(C(=O)CCC1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235698	0	49	0.0	-69.25	367.76	10.78	-58.47
CN(C(=O)CCC1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235698	1	49	0.0	-73.27	373.19	11.25	-62.02
CN(C(=O)C1CCC2CCCC[N@@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235708	0	50	0.0	-59.72	363.07	10.94	-48.78
CN(C(=O)C1CCC2CCCC[N@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235708	1	50	0.0	-55.72	362.47	11.10	-44.62
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235720	0	58	0.0	-68.10	439.55	11.20	-56.90
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235721	0	58	0.0	-75.73	438.22	11.10	-64.63
CN(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235721	1	58	0.0	-80.65	438.57	11.18	-69.47
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300005235723	0	59	0.0	-77.68	446.55	12.97	-64.71
CC(C)[NH+]1CCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300005235731	0	52	0.0	-68.46	379.75	11.31	-57.15
CN(C(=O)C12CC[NH+](CC1)C2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235798	0	44	0.0	-72.83	329.61	8.81	-64.02
CN(C(=O)C12CC[N@H+](C1)CCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235807	0	47	0.0	-71.11	338.83	9.43	-61.68
CN(C(=O)C12CC[N@@H+](C1)CCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235807	1	47	0.0	-56.55	326.13	9.03	-47.52
CC1CCC(C)[NH+]1CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235849	0	49	0.0	-55.76	361.13	10.50	-45.26
CN(C(=O)C1=CC(C[NH+](C)C)=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235850	0	49	0.0	-72.69	380.93	11.79	-60.90
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235851	0	56	0.0	-63.05	403.19	13.29	-49.76
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235851	1	56	0.0	-62.92	402.75	13.17	-49.75
C#CC[NH+]1CCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300005235905	0	48	0.0	-72.88	370.13	11.28	-61.60
CC[NH+]1CCN(CCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300005235907	0	54	0.0	-70.71	403.93	9.37	-61.34
CCN1CC[NH+](CCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300005235907	1	54	0.0	-66.01	402.49	9.22	-56.79
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235914	1	50	0.0	-60.45	389.83	11.82	-48.63
CC[N@H+](CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300005235920	0	46	0.0	-56.24	352.49	10.56	-45.68
CC[N@@H+](CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300005235920	1	46	0.0	-57.81	350.39	10.55	-47.26
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300005235947	0	52	0.0	-55.30	372.86	11.35	-43.95
CN(C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235985	1	54	0.0	-79.59	417.20	12.16	-67.43
CN(C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235985	1	54	0.0	-80.35	414.97	12.09	-68.26
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300005236024	0	52	0.0	-72.57	402.71	11.85	-60.72
CN(C(=O)CCCC[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236025	0	52	0.0	-70.88	395.21	11.88	-59.00
CC1=CC=C(N2CCC(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300005236027	1	55	0.0	-69.84	412.96	11.35	-58.49
CN(C(=O)C[N@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236028	1	49	0.0	-63.84	382.48	12.30	-51.54
CN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236028	1	49	0.0	-63.24	382.48	12.30	-50.94
CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236052	1	44	0.0	-75.64	359.51	9.63	-66.01
CN(C(=O)C1=NOC(C[NH+](C)C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236075	1	45	0.0	-78.66	359.65	9.81	-68.85
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236079	0	56	0.0	-70.60	424.43	13.74	-56.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236079	1	56	0.0	-77.73	424.05	13.46	-64.27
CC(C)[N@@H+]1CCCC1C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236094	0	49	0.0	-56.18	352.76	10.72	-45.46
CC(C)[N@H+]1CCCC1C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236094	1	49	0.0	-57.35	363.99	10.55	-46.80
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236102	0	57	0.0	-80.19	446.05	13.14	-67.05
CN(C(=O)COC1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236115	0	50	0.0	-75.72	384.29	10.78	-64.94
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236120	0	53	0.0	-74.76	409.64	12.38	-62.38
CCC[N@@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005236274	0	52	0.0	-60.25	365.94	11.12	-49.13
CCC[N@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005236274	1	52	0.0	-67.05	384.60	11.49	-55.56
CN(C(=O)C[NH+]1CCC(CO)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236301	0	50	0.0	-60.52	377.78	7.69	-52.83
CC(C)[N@@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005236489	0	52	0.0	-53.51	371.23	10.92	-42.59
CC(C)[N@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005236489	1	52	0.0	-56.93	373.64	11.27	-45.66
CN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236490	0	46	0.0	-59.50	358.94	9.98	-49.52
CN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236490	1	46	0.0	-76.12	360.43	9.98	-66.14
CC1=C(C)[NH+]=C(CCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])N1	REAL300005236513	1	47	0.0	-61.30	374.63	9.95	-51.35
CN(C(=O)C1=CC(CC[NH+](C)C)=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236917	0	52	0.0	-76.00	400.84	12.57	-63.43
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236925	0	53	0.0	-78.53	411.83	11.68	-66.85
CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005237015	0	59	0.0	-70.15	444.10	14.61	-55.54
CC1C[N@H+](CC2=CC=C(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])C=C2)CCO1	REAL300005237017	1	57	0.0	-82.56	427.81	11.87	-70.69
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])C=C2)CCO1	REAL300005237017	1	57	0.0	-82.45	427.91	11.86	-70.59
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005237045	0	46	0.0	-65.96	352.37	10.23	-55.73
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005237049	0	52	0.0	-74.10	355.80	10.42	-63.68
CC1=[NH+]C=C2C=CC(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])=CN21	REAL300005237053	0	44	0.0	-64.10	352.01	11.43	-52.67
CC(C)C[N@@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005237104	0	55	0.0	-64.66	400.56	12.08	-52.58
CC(C)C[N@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005237104	1	55	0.0	-57.95	395.94	12.29	-45.66
CC[N@@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005237105	0	49	0.0	-65.00	361.09	10.55	-54.45
CC[N@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005237105	1	49	0.0	-53.40	356.26	10.46	-42.94
CN(C(=O)C1CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005237109	0	46	0.0	-60.90	347.89	9.95	-50.95
CN(C(=O)C1CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005237109	1	46	0.0	-60.68	326.67	9.72	-50.96
CN(C(=O)C1=CC=C(C[NH+](C)C)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005237111	1	46	0.0	-75.48	366.98	10.39	-65.09
CN(C(=O)C12CC(C1)C[N@@H+]2C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005237119	0	48	0.0	-58.41	360.75	10.94	-47.47
CN(C(=O)C12CC(C1)C[N@H+]2C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005237119	1	48	0.0	-59.20	359.57	11.32	-47.88
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CCOCC1	REAL300005237214	0	51	0.0	-49.29	371.82	7.02	-42.27
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CCOCC1	REAL300005237214	1	51	0.0	-46.49	365.09	6.60	-39.89
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(F)=C(N3CCOCC3)C(F)=C2)C1	REAL300005237331	1	50	0.0	-51.94	379.83	5.93	-46.01
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(F)=C(N3CCOCC3)C(F)=C2)C1	REAL300005237331	1	50	0.0	-55.39	380.85	6.42	-48.97
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3CCCC3)C2)C1	REAL300005237464	0	53	0.0	-42.60	368.90	10.06	-32.54
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3CCCC3)C2)C1	REAL300005237464	1	53	0.0	-45.59	375.50	10.53	-35.06
O=C([O-])C1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237506	0	43	0.0	-72.02	328.66	6.13	-65.89
O=C([O-])C1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237506	1	43	0.0	-74.45	336.72	6.20	-68.25
O=C([O-])COC1=CC=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237507	0	47	0.0	-76.19	359.75	6.40	-69.79
O=C([O-])COC1=CC=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237507	1	47	0.0	-76.31	361.82	6.41	-69.90
O=C([O-])C1=CC=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237508	0	43	0.0	-78.67	328.67	6.12	-72.55
O=C([O-])C1=CC=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237508	1	43	0.0	-78.96	329.17	6.02	-72.94
O=C([O-])C1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)S1	REAL300005237509	0	40	0.0	-66.89	322.96	5.29	-61.60
O=C([O-])C1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)S1	REAL300005237509	1	40	0.0	-68.47	331.18	5.38	-63.09
O=C([O-])C1=CC=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=N1	REAL300005237510	0	42	0.0	-64.80	335.10	4.42	-60.38
O=C([O-])C1=CC=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=N1	REAL300005237510	1	42	0.0	-64.92	334.85	4.46	-60.46
CC(SC1=CC=CC=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300005237511	0	50	0.0	-81.41	389.55	7.91	-73.50
CC(SC1=CC=CC=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300005237511	1	50	0.0	-80.27	389.48	7.95	-72.32
CCOC1=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=CC=C1OCC(=O)[O-]	REAL300005237512	0	54	0.0	-76.94	412.48	7.17	-69.77
CCOC1=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=CC=C1OCC(=O)[O-]	REAL300005237512	1	54	0.0	-77.23	411.24	6.97	-70.26
O=C([O-])C1=CC=C(CCC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237513	0	49	0.0	-76.10	374.73	7.62	-68.48
O=C([O-])C1=CC=C(CCC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237513	1	49	0.0	-78.32	382.79	7.68	-70.64
O=C([O-])C1=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=CC=N1	REAL300005237514	0	42	0.0	-81.32	324.76	4.36	-76.96
O=C([O-])C1=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=CC=N1	REAL300005237514	1	42	0.0	-81.55	325.26	4.26	-77.29
O=C([O-])C1=CC=C(C=CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237515	0	47	0.0	-78.13	371.54	7.33	-70.80
O=C([O-])C1=CC=C(C=CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237515	1	47	0.0	-77.93	369.64	7.28	-70.65
O=C([O-])C1=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=CC([N+](=O)[O-])=C1	REAL300005237516	0	45	0.0	-61.87	358.58	6.89	-54.98
O=C([O-])C1=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=CC([N+](=O)[O-])=C1	REAL300005237516	1	45	0.0	-62.04	357.33	6.69	-55.35
O=C([O-])C1=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=CC([N+](=O)[O-])=C1	REAL300005237517	0	45	0.0	-61.87	358.58	6.89	-54.98
O=C([O-])C1=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=CC([N+](=O)[O-])=C1	REAL300005237517	1	45	0.0	-62.04	357.33	6.69	-55.35
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237518	0	53	0.0	-76.98	403.62	7.68	-69.30
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237518	1	53	0.0	-79.29	410.07	7.64	-71.65
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237519	0	50	0.0	-77.04	395.08	7.17	-69.87
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237519	1	50	0.0	-77.08	394.85	7.21	-69.87
O=C([O-])C1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)O1	REAL300005237520	0	40	0.0	-64.66	323.42	4.55	-60.11
O=C([O-])C1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)O1	REAL300005237520	1	40	0.0	-64.72	323.16	4.59	-60.13
O=C([O-])C1=CC=CC=C1CCC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237521	0	49	0.0	-66.94	367.52	7.45	-59.49
O=C([O-])C1=CC=CC=C1CCC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237521	1	49	0.0	-73.64	374.16	7.42	-66.22
CC1=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=CC(C)=C1OCC(=O)[O-]	REAL300005237522	0	53	0.0	-73.79	403.19	7.95	-65.84
CC1=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=CC(C)=C1OCC(=O)[O-]	REAL300005237522	1	53	0.0	-76.17	410.22	7.91	-68.26
O=C([O-])C1=CC(CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=CC=C1	REAL300005237523	0	46	0.0	-78.06	353.34	6.80	-71.26
O=C([O-])C1=CC(CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=CC=C1	REAL300005237523	1	46	0.0	-77.44	353.84	6.69	-70.75
O=C([O-])C1CCCC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300005237524	0	49	0.0	-81.40	355.52	6.17	-75.23
O=C([O-])C1CCCC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300005237524	1	49	0.0	-75.50	355.66	6.31	-69.19
O=C([O-])C1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=N1	REAL300005237525	0	42	0.0	-72.76	326.29	4.45	-68.31
O=C([O-])C1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=N1	REAL300005237525	1	42	0.0	-74.56	332.76	4.44	-70.12
O=C([O-])C1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)N=C1	REAL300005237526	0	42	0.0	-64.46	326.08	4.39	-60.07
O=C([O-])C1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)N=C1	REAL300005237526	1	42	0.0	-66.04	334.13	4.46	-61.58
CC(C)(CC(=O)[O-])CC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237527	0	48	0.0	-68.73	337.82	5.56	-63.17
CC(C)(CC(=O)[O-])CC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237527	1	48	0.0	-72.67	345.88	5.62	-67.05
O=C([O-])C1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(F)=C1	REAL300005237528	0	43	0.0	-74.42	341.50	6.23	-68.19
O=C([O-])C1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(F)=C1	REAL300005237528	1	43	0.0	-74.29	341.25	6.27	-68.02
O=C([O-])C1=CN=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=N1	REAL300005237529	0	41	0.0	-66.71	323.39	2.63	-64.08
O=C([O-])C1=CN=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=N1	REAL300005237529	1	41	0.0	-68.40	329.71	2.60	-65.80
O=C([O-])[C@H]1CC[C@H](C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC1	REAL300005237530	0	49	0.0	-73.11	361.91	6.35	-66.76
O=C([O-])[C@H]1CC[C@H](C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC1	REAL300005237530	1	49	0.0	-73.05	361.49	6.42	-66.63
O=C([O-])C1CCC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC1	REAL300005237531	0	49	0.0	-71.03	346.93	6.19	-64.84
O=C([O-])C1CCC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC1	REAL300005237531	1	49	0.0	-71.19	357.07	6.40	-64.79
O=C([O-])C1=CC=C(CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237532	0	46	0.0	-79.59	353.33	6.82	-72.77
O=C([O-])C1=CC=C(CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237532	1	46	0.0	-84.01	361.40	6.88	-77.13
O=C([O-])C1=CN(CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)N=N1	REAL300005237533	0	42	0.0	-85.71	338.80	2.81	-82.90
O=C([O-])C1=CN(CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)N=N1	REAL300005237533	1	42	0.0	-85.76	338.55	2.85	-82.91
CC1=NC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=CC=C1C(=O)[O-]	REAL300005237534	0	45	0.0	-64.21	344.08	5.01	-59.20
CC1=NC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=CC=C1C(=O)[O-]	REAL300005237534	1	45	0.0	-66.02	350.41	4.97	-61.05
O=C([O-])C1=CC(Br)=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237535	0	43	0.0	-72.33	351.70	6.82	-65.51
O=C([O-])C1=CC(Br)=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237535	1	43	0.0	-76.38	358.01	6.80	-69.58
O=C([O-])C1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237536	0	43	0.0	-72.02	328.66	6.13	-65.89
O=C([O-])C1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237536	1	43	0.0	-74.45	336.72	6.20	-68.25
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300005237537	0	46	0.0	-74.25	339.02	5.80	-68.45
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300005237537	1	46	0.0	-74.37	336.43	5.62	-68.75
O=C([O-])CC1=CC=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237538	0	46	0.0	-73.05	352.60	6.98	-66.07
O=C([O-])CC1=CC=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237538	1	46	0.0	-73.07	352.93	6.89	-66.18
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237539	0	53	0.0	-76.58	402.94	9.56	-67.02
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237539	1	53	0.0	-67.06	395.14	9.41	-57.65
O=C([O-])CC1=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=CO1	REAL300005237540	0	43	0.0	-70.95	332.86	5.14	-65.81
O=C([O-])CC1=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=CO1	REAL300005237540	1	43	0.0	-71.11	331.61	4.93	-66.18
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237541	0	46	0.0	-70.11	359.71	5.76	-64.35
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237541	1	46	0.0	-59.25	366.18	5.75	-53.50
O=C([O-])C1=CC=NC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237542	0	42	0.0	-69.09	328.00	4.51	-64.58
O=C([O-])C1=CC=NC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237542	1	42	0.0	-72.96	334.33	4.48	-68.48
O=C([O-])C12CC(C(=O)NCC3C[N@@H+]4CC5CC4(C5)CO3)(C1)C2	REAL300005237543	0	44	0.0	-70.13	333.80	5.79	-64.34
O=C([O-])C12CC(C(=O)NCC3C[N@H+]4CC5CC4(C5)CO3)(C1)C2	REAL300005237543	1	44	0.0	-70.40	332.64	5.59	-64.81
O=C(CC1CCC(C(=O)[O-])CC1)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237544	0	52	0.0	-74.74	375.21	7.16	-67.58
O=C(CC1CCC(C(=O)[O-])CC1)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237544	1	52	0.0	-67.20	365.63	6.69	-60.51
O=C([O-])C12CCC(C(=O)NCC3C[N@@H+]4CC5CC4(C5)CO3)(CC1)C2	REAL300005237545	0	50	0.0	-81.38	371.18	6.52	-74.86
O=C([O-])C12CCC(C(=O)NCC3C[N@H+]4CC5CC4(C5)CO3)(CC1)C2	REAL300005237545	1	50	0.0	-77.30	364.57	6.48	-70.82
O=C([O-])C12CCC(C(=O)NCC3C[N@@H+]4CC5CC4(C5)CO3)(CC1)CC2	REAL300005237546	0	53	0.0	-75.80	378.94	6.92	-68.88
O=C([O-])C12CCC(C(=O)NCC3C[N@H+]4CC5CC4(C5)CO3)(CC1)CC2	REAL300005237546	1	53	0.0	-73.66	374.42	7.02	-66.64
CC(C)(CC(=O)[O-])CC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237547	0	48	0.0	-68.73	337.82	5.56	-63.17
CC(C)(CC(=O)[O-])CC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237547	1	48	0.0	-72.67	345.88	5.62	-67.05
O=C([O-])C1=C2N=CC=C(C(=O)NCC3C[N@@H+]4CC5CC4(C5)CO3)N2N=C1	REAL300005237548	0	45	0.0	-77.36	352.28	5.53	-71.83
O=C([O-])C1=C2N=CC=C(C(=O)NCC3C[N@H+]4CC5CC4(C5)CO3)N2N=C1	REAL300005237548	1	45	0.0	-77.47	358.60	5.51	-71.96
O=C([O-])CC1=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)NC2=CC=CC=C21	REAL300005237549	0	50	0.0	-76.07	382.57	6.94	-69.13
O=C([O-])CC1=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)NC2=CC=CC=C21	REAL300005237549	1	50	0.0	-80.85	389.03	6.92	-73.93
O=C([O-])C1=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=NO1	REAL300005237550	0	39	0.0	-62.17	309.54	3.69	-58.48
O=C([O-])C1=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=NO1	REAL300005237550	1	39	0.0	-64.32	317.60	3.76	-60.56
O=C([O-])C1(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCCC1	REAL300005237551	0	46	0.0	-58.63	341.47	5.80	-52.83
O=C([O-])C1(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCCC1	REAL300005237551	1	46	0.0	-58.46	335.01	5.78	-52.68
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC3C[N@@H+]4CC5CC4(C5)CO3)C2=C1	REAL300005237552	0	56	0.0	-72.89	415.99	9.04	-63.85
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC3C[N@H+]4CC5CC4(C5)CO3)C2=C1	REAL300005237552	1	56	0.0	-72.97	414.04	8.99	-63.98
CC1=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C(C(=O)[O-])O1	REAL300005237553	0	43	0.0	-67.46	333.54	5.37	-62.09
CC1=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C(C(=O)[O-])O1	REAL300005237553	1	43	0.0	-68.64	339.86	5.34	-63.30
CC1=C(C(=O)[O-])OC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237554	0	43	0.0	-64.38	333.02	5.10	-59.28
CC1=C(C(=O)[O-])OC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237554	1	43	0.0	-65.16	341.08	5.18	-59.98
O=C([O-])C1=CN(CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)N=C1	REAL300005237555	0	43	0.0	-82.09	343.73	4.30	-77.79
O=C([O-])C1=CN(CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)N=C1	REAL300005237555	1	43	0.0	-81.92	343.45	4.34	-77.58
O=C([O-])C=CC1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)O1	REAL300005237556	0	44	0.0	-67.46	349.96	5.81	-61.65
O=C([O-])C=CC1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)O1	REAL300005237556	1	44	0.0	-67.73	356.29	5.77	-61.96
O=C([O-])C1(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC2(CCC2)C1	REAL300005237557	0	50	0.0	-62.00	370.76	7.04	-54.96
O=C([O-])C1(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC2(CCC2)C1	REAL300005237557	1	50	0.0	-55.64	360.04	6.73	-48.91
O=C([O-])COC1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237558	0	47	0.0	-71.42	361.42	6.51	-64.91
O=C([O-])COC1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237558	1	47	0.0	-71.62	360.17	6.30	-65.32
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300005237559	0	52	0.0	-84.23	405.58	6.70	-77.53
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300005237559	1	52	0.0	-78.52	398.67	6.68	-71.84
O=C([O-])CSCCC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237560	0	43	0.0	-68.53	340.24	5.42	-63.11
O=C([O-])CSCCC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237560	1	43	0.0	-71.59	346.56	5.39	-66.20
O=C([O-])C1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)N=C1	REAL300005237561	0	42	0.0	-64.46	326.08	4.39	-60.07
O=C([O-])C1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)N=C1	REAL300005237561	1	42	0.0	-66.04	334.13	4.46	-61.58
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237562	0	43	0.0	-73.61	339.43	3.81	-69.80
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237562	1	43	0.0	-73.70	338.97	3.86	-69.84
C[C@@H]1C[C@H](C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)O[C@H]1C(=O)[O-]	REAL300005237563	0	47	0.0	-76.26	352.80	5.73	-70.53
C[C@@H]1C[C@H](C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)O[C@H]1C(=O)[O-]	REAL300005237563	1	47	0.0	-76.14	351.47	5.53	-70.61
CC(C)(CCC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237564	0	48	0.0	-77.90	354.99	5.69	-72.21
CC(C)(CCC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237564	1	48	0.0	-77.72	354.65	5.77	-71.95
O=C([O-])CC1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237565	0	46	0.0	-68.89	350.85	6.90	-61.99
O=C([O-])CC1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237565	1	46	0.0	-69.22	351.35	6.79	-62.43
O=C([O-])C=CC1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237566	0	47	0.0	-73.40	360.74	7.41	-65.99
O=C([O-])C=CC1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237566	1	47	0.0	-73.62	361.25	7.30	-66.32
O=C(C=CC1=CC(C(=O)[O-])=CO1)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237567	0	44	0.0	-71.77	349.52	5.66	-66.11
O=C(C=CC1=CC(C(=O)[O-])=CO1)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237567	1	44	0.0	-74.69	355.75	5.65	-69.04
O=C([O-])CCC1=CC=CC=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237568	0	49	0.0	-79.40	371.97	7.70	-71.70
O=C([O-])CCC1=CC=CC=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237568	1	49	0.0	-79.15	371.75	7.74	-71.41
O=C([O-])C1=C(COCC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)OC=N1	REAL300005237569	0	46	0.0	-79.16	363.18	1.97	-77.19
O=C([O-])C1=C(COCC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)OC=N1	REAL300005237569	1	46	0.0	-82.58	369.50	1.94	-80.64
O=C(C=CC1=CC=C(C(=O)[O-])O1)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237570	0	44	0.0	-69.97	351.06	6.03	-63.94
O=C(C=CC1=CC=C(C(=O)[O-])O1)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237570	1	44	0.0	-71.46	357.29	6.00	-65.46
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300005237571	0	46	0.0	-74.25	339.02	5.80	-68.45
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300005237571	1	46	0.0	-74.37	336.43	5.62	-68.75
CC1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1C(=O)[O-]	REAL300005237572	0	46	0.0	-79.69	350.44	6.85	-72.84
CC1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1C(=O)[O-]	REAL300005237572	1	46	0.0	-78.16	345.15	6.55	-71.61
O=C([O-])C1=CN=CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237573	0	42	0.0	-71.85	323.83	4.34	-67.51
O=C([O-])C1=CN=CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237573	1	42	0.0	-75.73	331.89	4.41	-71.32
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237574	0	45	0.0	-62.89	341.86	5.08	-57.81
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237574	1	45	0.0	-63.05	348.20	5.06	-57.99
O=C([O-])C1=NN(CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237575	0	43	0.0	-91.19	343.06	4.32	-86.87
O=C([O-])C1=NN(CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237575	1	43	0.0	-93.04	342.79	4.37	-88.67
O=C([O-])C1=NN(CCCC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237576	0	49	0.0	-86.90	380.10	5.77	-81.13
O=C([O-])C1=NN(CCCC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237576	1	49	0.0	-92.73	386.41	5.73	-87.00
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)O1	REAL300005237577	0	50	0.0	-81.45	379.38	6.02	-75.43
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)O1	REAL300005237577	1	50	0.0	-76.51	372.78	5.95	-70.56
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237578	0	50	0.0	-69.38	370.78	4.93	-64.45
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237578	1	50	0.0	-70.54	371.94	4.82	-65.72
CC1=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)OC(C(=O)[O-])=C1	REAL300005237579	0	43	0.0	-64.46	332.91	5.20	-59.26
CC1=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)OC(C(=O)[O-])=C1	REAL300005237579	1	43	0.0	-64.57	333.33	5.10	-59.47
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237580	0	51	0.0	-49.71	353.62	7.63	-42.08
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237580	1	51	0.0	-50.37	352.14	7.38	-42.99
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237581	0	49	0.0	-79.00	353.09	6.66	-72.34
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237581	1	49	0.0	-75.09	351.42	6.67	-68.42
O=C(CN1CCCC(C(=O)[O-])C1)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237582	1	51	0.0	-74.59	371.91	3.83	-70.76
O=C(CN1CCCC(C(=O)[O-])C1)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237582	1	51	0.0	-78.40	377.47	4.32	-74.08
O=C([O-])C1(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC1C1=CC=CC=C1	REAL300005237583	0	50	0.0	-60.48	377.05	8.18	-52.30
O=C([O-])C1(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC1C1=CC=CC=C1	REAL300005237583	1	50	0.0	-57.52	377.33	8.33	-49.19
O=C([O-])CC1=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)NC2=CC=CC=C21	REAL300005237584	0	50	0.0	-76.07	382.57	6.94	-69.13
O=C([O-])CC1=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)NC2=CC=CC=C21	REAL300005237584	1	50	0.0	-80.85	389.03	6.92	-73.93
O=C([O-])C1=CN(CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C2=CC=CC=C12	REAL300005237585	0	50	0.0	-91.64	395.00	8.28	-83.36
O=C([O-])C1=CN(CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C2=CC=CC=C12	REAL300005237585	1	50	0.0	-93.08	394.75	8.32	-84.76
O=C([O-])C1CC12CC(C(=O)NCC1C[N@@H+]3CC4CC3(C4)CO1)C2	REAL300005237586	0	47	0.0	-81.37	360.79	6.55	-74.82
O=C([O-])C1CC12CC(C(=O)NCC1C[N@H+]3CC4CC3(C4)CO1)C2	REAL300005237586	1	47	0.0	-80.96	360.50	6.59	-74.37
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237587	0	49	0.0	-67.92	363.92	7.28	-60.64
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237587	1	49	0.0	-73.13	358.82	7.21	-65.92
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237588	0	46	0.0	-65.40	353.03	6.83	-58.57
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237588	1	46	0.0	-65.07	352.77	6.87	-58.20
CC1(C(=O)[O-])CC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300005237589	0	46	0.0	-73.21	340.08	5.59	-67.62
CC1(C(=O)[O-])CC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300005237589	1	46	0.0	-66.74	346.27	5.64	-61.10
O=C([O-])C1=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=CS1	REAL300005237590	0	40	0.0	-74.60	318.88	6.15	-68.45
O=C([O-])C1=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=CS1	REAL300005237590	1	40	0.0	-81.49	324.52	6.14	-75.35
O=C([O-])C1=NNC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237591	0	40	0.0	-75.84	312.53	2.56	-73.28
O=C([O-])C1=NNC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237591	1	40	0.0	-78.67	320.59	2.63	-76.04
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237592	0	45	0.0	-70.38	334.34	4.90	-65.48
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237592	1	45	0.0	-73.58	342.37	4.97	-68.61
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237593	0	46	0.0	-74.57	353.00	6.83	-67.74
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237593	1	46	0.0	-74.47	352.75	6.87	-67.60
O=C([O-])C1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(Cl)=C1	REAL300005237594	0	43	0.0	-73.14	349.46	6.65	-66.49
O=C([O-])C1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(Cl)=C1	REAL300005237594	1	43	0.0	-73.06	349.21	6.69	-66.37
O=C([O-])C1CC2(C1)CC(C(=O)NCC1C[N@@H+]3CC4CC3(C4)CO1)C2	REAL300005237595	0	50	0.0	-76.05	378.04	6.98	-69.07
O=C([O-])C1CC2(C1)CC(C(=O)NCC1C[N@H+]3CC4CC3(C4)CO1)C2	REAL300005237595	1	50	0.0	-73.08	371.69	7.00	-66.08
COC1=CC(C(=O)[O-])=NC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237596	0	46	0.0	-62.61	356.52	3.71	-58.90
COC1=CC(C(=O)[O-])=NC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237596	1	46	0.0	-62.69	356.94	3.62	-59.07
CN1C(C(=O)[O-])=CC=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237597	0	44	0.0	-71.69	331.27	5.33	-66.36
CN1C(C(=O)[O-])=CC=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237597	1	44	0.0	-74.69	339.51	5.40	-69.29
O=C([O-])C1(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC=CC1	REAL300005237598	0	44	0.0	-59.10	325.49	5.66	-53.44
O=C([O-])C1(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC=CC1	REAL300005237598	1	44	0.0	-63.49	331.56	5.63	-57.86
O=C([O-])CCC1=CC=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237599	0	49	0.0	-70.60	372.25	7.70	-62.90
O=C([O-])CCC1=CC=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237599	1	49	0.0	-70.88	372.75	7.60	-63.28
CC1=NNC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1C(=O)[O-]	REAL300005237600	0	43	0.0	-77.03	332.52	3.98	-73.05
CC1=NNC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1C(=O)[O-]	REAL300005237600	1	43	0.0	-76.94	332.26	4.02	-72.92
O=C([O-])CC1(CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC1	REAL300005237601	0	46	0.0	-65.83	340.61	5.94	-59.89
O=C([O-])CC1(CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC1	REAL300005237601	1	46	0.0	-67.89	350.65	5.95	-61.94
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC1C[N@@H+]3CC4CC3(C4)CO1)C2	REAL300005237602	0	47	0.0	-63.00	362.30	6.61	-56.39
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC1C[N@H+]3CC4CC3(C4)CO1)C2	REAL300005237602	1	47	0.0	-62.68	362.84	6.48	-56.20
O=C([O-])C1=NC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=CS1	REAL300005237603	0	39	0.0	-61.65	320.08	3.37	-58.28
O=C([O-])C1=NC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=CS1	REAL300005237603	1	39	0.0	-61.65	318.76	3.16	-58.49
CC1=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C(C(=O)[O-])S1	REAL300005237604	0	43	0.0	-65.13	337.93	5.97	-59.16
CC1=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C(C(=O)[O-])S1	REAL300005237604	1	43	0.0	-65.92	345.99	6.04	-59.88
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCC1C[N@@H+]3CC4CC3(C4)CO1)=C2	REAL300005237605	0	43	0.0	-75.36	366.79	6.73	-68.63
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCC1C[N@H+]3CC4CC3(C4)CO1)=C2	REAL300005237605	1	43	0.0	-75.35	366.54	6.77	-68.58
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237606	0	47	0.0	-72.64	368.12	5.90	-66.74
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237606	1	47	0.0	-76.86	374.44	5.87	-70.99
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237607	0	46	0.0	-64.30	354.31	6.51	-57.79
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237607	1	46	0.0	-66.02	360.65	6.49	-59.53
O=C([O-])C1=C2C=C(C(=O)NCC3C[N@@H+]4CC5CC4(C5)CO3)SC2=CC=C1	REAL300005237608	0	46	0.0	-77.94	365.58	7.51	-70.43
O=C([O-])C1=C2C=C(C(=O)NCC3C[N@H+]4CC5CC4(C5)CO3)SC2=CC=C1	REAL300005237608	1	46	0.0	-82.97	371.90	7.48	-75.49
O=C([O-])C1=NC=CC=C1CCC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237609	0	48	0.0	-72.01	363.98	5.69	-66.32
O=C([O-])C1=NC=CC=C1CCC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237609	1	48	0.0	-74.89	370.42	5.66	-69.23
O=C([O-])C12CC(C(=O)NCC3C[N@@H+]4CC5CC4(C5)CO3)(C1)OC2	REAL300005237610	0	45	0.0	-68.90	347.32	3.71	-65.19
O=C([O-])C12CC(C(=O)NCC3C[N@H+]4CC5CC4(C5)CO3)(C1)OC2	REAL300005237610	1	45	0.0	-66.20	341.07	3.71	-62.49
O=C([O-])C1=CC=C(/C=C/C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237611	0	47	0.0	-75.58	363.19	7.32	-68.26
O=C([O-])C1=CC=C(/C=C/C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1	REAL300005237611	1	47	0.0	-77.94	371.25	7.38	-70.56
O=C([O-])C1(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC2(CCC2)C1	REAL300005237612	0	50	0.0	-62.00	370.76	7.04	-54.96
O=C([O-])C1(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC2(CCC2)C1	REAL300005237612	1	50	0.0	-55.64	360.04	6.73	-48.91
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237613	0	43	0.0	-68.19	336.38	3.64	-64.55
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237613	1	43	0.0	-75.61	343.04	3.63	-71.98
O=C([O-])C1=CSC2=C1NC(C(=O)NCC1C[N@@H+]3CC4CC3(C4)CO1)=C2	REAL300005237614	0	44	0.0	-66.36	355.58	5.23	-61.13
O=C([O-])C1=CSC2=C1NC(C(=O)NCC1C[N@H+]3CC4CC3(C4)CO1)=C2	REAL300005237614	1	44	0.0	-66.54	354.34	5.01	-61.53
O=C([O-])C1=CC2=C(C=C(C(=O)NCC3C[N@@H+]4CC5CC4(C5)CO3)N2)S1	REAL300005237615	0	44	0.0	-75.70	362.34	5.29	-70.41
O=C([O-])C1=CC2=C(C=C(C(=O)NCC3C[N@H+]4CC5CC4(C5)CO3)N2)S1	REAL300005237615	1	44	0.0	-75.67	362.09	5.34	-70.33
O=C([O-])C1=COC2=C1NC(C(=O)NCC1C[N@@H+]3CC4CC3(C4)CO1)=C2	REAL300005237616	0	44	0.0	-67.47	346.93	4.37	-63.10
O=C([O-])C1=COC2=C1NC(C(=O)NCC1C[N@H+]3CC4CC3(C4)CO1)=C2	REAL300005237616	1	44	0.0	-68.13	353.25	4.34	-63.79
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237617	0	46	0.0	-76.24	338.82	6.69	-69.55
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237617	1	46	0.0	-80.66	346.86	6.76	-73.90
O=C([O-])C1=CC=C(C=CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=N1	REAL300005237618	0	46	0.0	-77.34	360.75	5.63	-71.71
O=C([O-])C1=CC=C(C=CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=N1	REAL300005237618	1	46	0.0	-79.51	366.97	5.62	-73.89
C=C1CCC1(C(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237619	0	44	0.0	-56.71	329.45	5.76	-50.95
C=C1CCC1(C(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237619	1	44	0.0	-61.93	335.35	5.56	-56.37
O=C([O-])C1=CSC(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237620	0	40	0.0	-75.01	321.89	5.15	-69.86
O=C([O-])C1=CSC(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237620	1	40	0.0	-75.22	322.39	5.02	-70.20
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237621	0	48	0.0	-63.37	348.60	4.61	-58.76
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237621	1	48	0.0	-63.16	349.29	4.36	-58.80
O=C([O-])C1=CC=CC2=C(C(=O)NCC3C[N@@H+]4CC5CC4(C5)CO3)C=CC=C12	REAL300005237622	0	49	0.0	-77.82	366.41	8.29	-69.53
O=C([O-])C1=CC=CC2=C(C(=O)NCC3C[N@H+]4CC5CC4(C5)CO3)C=CC=C12	REAL300005237622	1	49	0.0	-80.67	372.72	8.27	-72.40
CC(C)[C@]1(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C(=O)[O-]	REAL300005237623	0	49	0.0	-60.22	358.78	6.13	-54.09
CC(C)[C@]1(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C(=O)[O-]	REAL300005237623	1	49	0.0	-70.54	358.05	6.13	-64.41
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237624	0	49	0.0	-80.94	371.79	7.37	-73.57
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237624	1	49	0.0	-85.40	378.10	7.33	-78.07
O=C([O-])C1=CSC(CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)=C1	REAL300005237625	0	43	0.0	-82.27	353.20	5.97	-76.30
O=C([O-])C1=CSC(CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)=C1	REAL300005237625	1	43	0.0	-80.66	352.94	6.01	-74.65
O=C([O-])C1=CC=C(CC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C=C1F	REAL300005237626	0	46	0.0	-82.35	359.62	6.93	-75.42
O=C([O-])C1=CC=C(CC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C=C1F	REAL300005237626	1	46	0.0	-86.59	365.94	6.90	-79.69
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300005237627	0	46	0.0	-66.39	343.72	5.66	-60.73
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300005237627	1	46	0.0	-63.03	336.03	5.55	-57.48
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)S1	REAL300005237628	0	50	0.0	-68.40	377.67	7.67	-60.73
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)S1	REAL300005237628	1	50	0.0	-69.43	385.72	7.73	-61.70
O=C([O-])C12CCC(C(=O)NCC3C[N@@H+]4CC5CC4(C5)CO3)(CC1)CC2	REAL300005237629	0	53	0.0	-75.80	378.94	6.92	-68.88
O=C([O-])C12CCC(C(=O)NCC3C[N@H+]4CC5CC4(C5)CO3)(CC1)CC2	REAL300005237629	1	53	0.0	-73.66	374.42	7.02	-66.64
O=C([O-])C1CCC[N@H+](CC(=O)N2CC=CCC23CCOC3)C1	REAL300005237664	0	46	0.0	-46.37	325.18	6.37	-40.00
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC=CCC23CCOC3)C1	REAL300005237664	1	46	0.0	-50.23	332.52	6.74	-43.49
O=C([O-])C1CCC[N@H+](CC(=O)N2CC34COCC3(COC4)C2)C1	REAL300005237760	0	47	0.0	-52.84	345.39	4.73	-48.11
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC34COCC3(COC4)C2)C1	REAL300005237760	1	47	0.0	-46.59	337.32	4.27	-42.32
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=CC=C3)CC2)C1	REAL300005237880	0	51	0.0	-48.65	382.34	9.92	-38.73
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=CC=C3)CC2)C1	REAL300005237880	1	51	0.0	-48.44	381.18	9.89	-38.55
CC1=NC(N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=NO1	REAL300005238008	0	47	0.0	-53.24	360.21	6.06	-47.18
CC1=NC(N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=NO1	REAL300005238008	1	47	0.0	-49.72	352.69	5.59	-44.13
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005239413	0	58	0.0	-64.03	420.13	12.25	-51.78
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005240158	0	55	0.0	-62.95	400.66	10.90	-52.05
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005240158	1	55	0.0	-64.17	401.73	10.98	-53.19
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300005241006	1	55	0.0	-58.05	420.89	12.08	-45.97
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300005241006	1	55	0.0	-68.27	417.43	11.44	-56.83
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005241082	0	52	0.0	-59.13	368.25	9.79	-49.34
CC1=[NH+]C=C2CCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)CN21	REAL300005241115	1	50	0.0	-66.27	372.48	9.57	-56.70
CC(C)(C)CC(CC(=O)[O-])NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005241116	0	58	0.0	-60.17	414.17	11.56	-48.61
CC1=NC(C[NH+]2CCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)CC2)=CS1	REAL300005241190	1	57	0.0	-80.60	432.65	9.81	-70.79
CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)N1CC[NH+](C)CC1	REAL300005241191	1	53	0.0	-62.24	370.71	6.92	-55.32
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C1	REAL300005241276	0	61	0.0	-80.08	457.99	11.55	-68.53
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C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=C1	REAL300005241288	1	61	0.0	-78.95	458.81	13.90	-65.05
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005241290	0	61	0.0	-66.11	434.53	12.38	-53.73
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005241349	0	43	0.0	-62.65	328.79	10.41	-52.24
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])CC(C)(C)C)CCCCC1	REAL300005241379	0	57	0.0	-45.27	364.39	11.06	-34.21
C[N@H+](CCC(=O)NC(CC(=O)[O-])CC(C)(C)C)C1CCCCC1	REAL300005241383	0	57	0.0	-56.93	397.24	10.60	-46.33
C[N@@H+](CCC(=O)NC(CC(=O)[O-])CC(C)(C)C)C1CCCCC1	REAL300005241383	1	57	0.0	-73.39	402.67	10.39	-63.00
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005241405	1	58	0.0	-70.74	429.35	12.03	-58.71
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005241405	1	58	0.0	-45.83	421.40	12.10	-33.73
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005241406	1	55	0.0	-59.12	410.56	11.61	-47.51
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005241406	1	55	0.0	-69.04	407.11	10.98	-58.06
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005241462	0	51	0.0	-79.51	392.58	9.43	-70.08
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005241490	0	58	0.0	-50.10	389.13	11.01	-39.09
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005241490	1	58	0.0	-50.57	390.43	10.87	-39.70
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005241491	0	59	0.0	-65.08	409.33	8.96	-56.12
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241523	1	49	0.0	-69.47	374.89	9.71	-59.76
CC(C)(C)CC(CC(=O)[O-])NC(=O)CCCC[NH+]1CCOCC1	REAL300005241524	1	55	0.0	-66.17	396.87	8.48	-57.69
CC[N@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C1)C(C)C	REAL300005241526	0	60	0.0	-70.57	425.29	12.02	-58.55
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C1)C(C)C	REAL300005241526	1	60	0.0	-70.34	415.68	11.95	-58.39
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005241550	0	55	0.0	-59.70	402.06	11.28	-48.42
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005241550	1	55	0.0	-72.23	406.25	11.16	-61.07
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005241551	0	56	0.0	-68.45	395.40	10.73	-57.72
C[NH+]1CCN(C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C2=CC=CC=C2)CC1	REAL300005241579	1	60	0.0	-64.47	431.66	10.16	-54.31
CC(C)(C)CC(CC(=O)[O-])NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005241580	0	59	0.0	-73.25	400.64	8.67	-64.58
CCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)[NH+](CC)CC	REAL300005241584	0	53	0.0	-47.12	364.10	9.38	-37.74
CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300005241586	0	54	0.0	-55.55	389.51	10.77	-44.78
CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300005241586	1	54	0.0	-69.84	398.64	10.83	-59.01
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005241597	0	61	0.0	-66.10	435.25	12.86	-53.24
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005241597	1	61	0.0	-63.14	443.02	13.01	-50.13
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=N1	REAL300005241625	0	50	0.0	-66.90	372.72	9.04	-57.86
CCC[NH+](CCC)CCCC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241636	0	59	0.0	-72.24	426.05	11.04	-61.20
CC(C)(C)CC(CC(=O)[O-])NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005241637	1	59	0.0	-67.14	432.11	8.79	-58.35
CC[N@H+](C)C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1=CC=CC=C1	REAL300005241638	0	54	0.0	-52.03	390.52	11.00	-41.03
CC[N@@H+](C)C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1=CC=CC=C1	REAL300005241638	1	54	0.0	-42.86	389.20	11.24	-31.62
CC[NH+](CC)C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1=CC=CC=C1	REAL300005241643	0	57	0.0	-49.88	389.21	11.33	-38.55
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241650	1	49	0.0	-50.51	364.68	9.92	-40.59
C[NH+](C)C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1=CC=C(Cl)C=C1	REAL300005241652	1	51	0.0	-69.27	395.64	10.82	-58.45
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005241666	0	55	0.0	-83.57	406.37	11.40	-72.17
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005241673	0	58	0.0	-74.75	423.66	12.16	-62.59
CCN1CCC([NH+]2CCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)CC2)CC1	REAL300005241680	0	66	0.0	-62.60	450.43	10.03	-52.57
CC1C[NH+](CC2=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C2)CC(C)O1	REAL300005241687	1	62	0.0	-85.90	456.97	11.20	-74.70
CC(C)(C)CC(CC(=O)[O-])NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005241698	1	59	0.0	-83.22	431.53	11.30	-71.92
CC(C)(C)CC(CC(=O)[O-])NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005241698	1	59	0.0	-67.65	426.52	11.39	-56.26
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005241714	0	58	0.0	-64.40	407.55	11.57	-52.83
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005241714	1	58	0.0	-52.02	403.03	12.04	-39.98
CC1=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300005241716	1	49	0.0	-80.19	378.50	8.68	-71.51
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005241724	0	58	0.0	-82.34	423.38	12.13	-70.21
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005241736	1	51	0.0	-71.91	382.01	9.00	-62.91
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C1	REAL300005241737	0	54	0.0	-85.45	404.62	11.16	-74.29
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241748	1	47	0.0	-63.01	352.99	7.93	-55.08
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005241749	1	56	0.0	-49.39	402.17	10.85	-38.54
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005241749	1	56	0.0	-78.45	405.86	10.57	-67.88
CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005241763	0	64	0.0	-66.48	455.91	13.21	-53.27
CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)[NH+]1CCSCC1	REAL300005241804	1	49	0.0	-68.48	357.62	8.66	-59.82
C[N@H+](CC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC(C)(C)C	REAL300005241810	0	53	0.0	-51.10	366.34	9.37	-41.73
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C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241812	0	54	0.0	-71.78	403.46	11.27	-60.51
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241812	1	54	0.0	-56.28	398.15	11.37	-44.91
COCCOCC[N@H+](C)CCC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241813	0	58	0.0	-72.57	432.01	7.44	-65.13
COCCOCC[N@@H+](C)CCC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241813	1	58	0.0	-74.51	432.43	7.42	-67.09
C[N@@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005241817	0	52	0.0	-57.82	366.41	7.32	-50.50
C[N@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005241817	1	52	0.0	-59.49	356.67	7.07	-52.42
CC(C)(C)CC(CC(=O)[O-])NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005241827	0	63	0.0	-65.37	452.90	11.03	-54.34
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300005241828	1	57	0.0	-70.65	417.94	10.22	-60.43
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300005241828	1	57	0.0	-57.67	407.64	10.28	-47.39
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300005241829	1	57	0.0	-72.13	417.81	10.21	-61.92
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300005241829	1	57	0.0	-58.75	408.03	10.26	-48.49
CCCCCC[N@H+](C)CC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241831	0	56	0.0	-54.16	402.74	10.69	-43.47
CCCCCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241831	1	56	0.0	-69.90	408.06	10.58	-59.32
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005241843	1	43	0.0	-67.86	329.06	10.41	-57.45
C[N@H+](CC(=O)NC(CC(=O)[O-])CC(C)(C)C)C1CCSC1	REAL300005241861	0	49	0.0	-73.53	363.82	9.06	-64.47
C[N@@H+](CC(=O)NC(CC(=O)[O-])CC(C)(C)C)C1CCSC1	REAL300005241861	1	49	0.0	-54.95	359.76	9.15	-45.80
CC(C)[NH+]1CCN(CCC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005241877	0	59	0.0	-59.74	414.31	8.19	-51.55
CC(C)N1CC[NH+](CCC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005241877	1	59	0.0	-72.29	415.59	7.77	-64.52
CC(C)[NH+]1CCN(CCCC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005241878	0	62	0.0	-62.66	435.68	9.00	-53.66
CC(C)N1CC[NH+](CCCC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005241878	1	62	0.0	-61.89	431.77	8.65	-53.24
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005241879	0	52	0.0	-60.67	368.81	9.66	-51.01
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC2CCC[N@H+]21	REAL300005241879	1	52	0.0	-60.68	369.00	9.65	-51.03
C[NH+](C)CCN1C=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=N1	REAL300005241881	0	51	0.0	-72.11	383.04	8.56	-63.55
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC2)=C1	REAL300005241888	0	63	0.0	-76.26	458.12	10.81	-65.45
CC(C)(C)CC(CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005241890	0	60	0.0	-76.39	436.72	10.14	-66.25
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005241893	0	57	0.0	-74.79	414.76	10.03	-64.76
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005241893	1	57	0.0	-73.19	417.06	10.05	-63.14
CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005241898	1	55	0.0	-67.45	393.94	11.15	-56.30
CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005241898	1	55	0.0	-68.38	395.62	11.27	-57.11
CC(C)(C)CC(CC(=O)[O-])NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005241926	0	58	0.0	-64.13	421.35	12.09	-52.04
CC(C)(C)CC(CC(=O)[O-])NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005241926	1	58	0.0	-62.37	421.77	12.20	-50.17
C[NH+](C)CCN1C=CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=N1	REAL300005241941	0	51	0.0	-74.17	383.50	8.55	-65.62
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241942	0	51	0.0	-77.16	366.22	8.83	-68.33
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241948	1	52	0.0	-53.03	384.78	10.24	-42.79
CC1C[N@H+](C)CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)O1	REAL300005241959	1	49	0.0	-57.31	351.44	8.01	-49.30
CC1C[N@@H+](C)CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)O1	REAL300005241959	1	49	0.0	-70.24	341.98	7.57	-62.67
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005241965	0	58	0.0	-74.88	426.24	11.86	-63.02
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005241965	1	58	0.0	-73.20	428.61	11.97	-61.23
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300005241966	1	54	0.0	-62.97	404.91	9.88	-53.09
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300005241966	1	54	0.0	-63.59	397.66	9.13	-54.46
CC(C[NH+]1CCOCC1)C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005241971	0	52	0.0	-64.80	374.63	7.69	-57.11
CC(C)(C)CC(CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005241972	0	59	0.0	-75.99	434.45	9.55	-66.44
CC[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005241994	1	49	0.0	-73.15	346.04	7.54	-65.61
CC[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005241994	1	49	0.0	-43.38	346.46	7.80	-35.58
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005242027	1	58	0.0	-80.22	420.53	10.17	-70.05
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005242028	0	58	0.0	-68.77	409.50	10.74	-58.03
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005242028	1	58	0.0	-57.35	399.38	10.75	-46.60
CC(C)(C)CC(CC(=O)[O-])NC(=O)C12CCC[NH+](CCC1)C2	REAL300005242047	0	52	0.0	-72.19	359.39	8.92	-63.27
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005242051	0	49	0.0	-71.72	351.59	4.91	-66.81
C[N@H+]1CC(O)CC1(C)C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005242051	1	49	0.0	-57.65	341.66	5.11	-52.54
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005242052	0	52	0.0	-62.65	371.14	9.73	-52.92
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC2CCCC[N@H+]21	REAL300005242052	1	52	0.0	-62.27	366.82	9.59	-52.68
CC(C)(C)CC(CC(=O)[O-])NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300005242060	0	55	0.0	-65.25	382.42	7.85	-57.40
CC(C)[N@@H+]1CCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C(C2=CN(C)N=C2)C1	REAL300005242065	0	64	0.0	-58.51	437.47	11.21	-47.30
CC(C)[N@H+]1CCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C(C2=CN(C)N=C2)C1	REAL300005242065	1	64	0.0	-56.11	430.31	10.71	-45.40
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=N1	REAL300005242066	0	58	0.0	-86.19	418.19	9.11	-77.08
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=N1	REAL300005242066	1	58	0.0	-85.55	422.93	9.43	-76.12
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=C2)CC1	REAL300005242071	0	60	0.0	-74.06	440.78	9.73	-64.33
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C2)CC1	REAL300005242072	0	60	0.0	-82.85	440.18	9.56	-73.29
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C2)CC1	REAL300005242072	1	60	0.0	-84.94	440.52	9.63	-75.31
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C1	REAL300005242073	0	61	0.0	-79.65	447.20	11.46	-68.19
CC(C)[NH+]1CCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005242080	0	54	0.0	-74.21	379.37	9.43	-64.78
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005242199	0	62	0.0	-85.71	455.36	9.48	-76.23
C[NH+](C)CC1=CC=CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=C1	REAL300005242203	0	51	0.0	-69.10	376.82	10.38	-58.72
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005242204	0	58	0.0	-66.81	419.11	12.21	-54.60
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005242204	1	58	0.0	-66.94	417.82	12.15	-54.79
C#CC[NH+]1CCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005242272	0	50	0.0	-62.01	368.36	9.83	-52.18
CCC[N@@H+]1CCCCC1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005242274	0	54	0.0	-51.04	365.63	9.71	-41.33
CCC[N@H+]1CCCCC1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005242274	1	54	0.0	-63.94	381.94	9.69	-54.25
C[NH+](C)CC1=CC=CC=C1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005242276	0	51	0.0	-54.10	374.82	10.54	-43.56
CC[NH+]1CCN(CCC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005242278	0	56	0.0	-64.69	396.41	7.53	-57.16
CCN1CC[NH+](CCC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005242278	1	56	0.0	-72.07	402.53	7.46	-64.61
CC(C)C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)[NH+]1CCCCC1	REAL300005242280	0	57	0.0	-53.30	386.24	11.23	-42.07
C[NH+](C)C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1=CC=CC=C1	REAL300005242281	1	51	0.0	-53.36	371.85	10.47	-42.89
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005242285	0	56	0.0	-53.35	412.20	8.51	-44.84
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005242285	1	56	0.0	-69.43	416.69	8.24	-61.19
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005242291	1	52	0.0	-65.75	389.69	9.96	-55.79
C[NH+](C)CC1=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)OC2=CC=CC=C21	REAL300005242292	0	54	0.0	-59.63	409.61	10.66	-48.97
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005242297	0	55	0.0	-70.00	369.70	10.20	-59.80
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300005242297	1	55	0.0	-68.26	369.71	10.27	-57.99
CC(C)C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)[NH+]1CC(C)OC(C)C1	REAL300005242325	1	61	0.0	-49.84	420.74	9.45	-40.39
CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)[NH+]1CCCCCC1	REAL300005242326	0	54	0.0	-49.73	360.75	9.45	-40.28
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=CC=C1N2	REAL300005242361	1	56	0.0	-73.71	411.69	10.96	-62.75
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=CC=C1N2	REAL300005242361	1	56	0.0	-74.30	411.71	10.76	-63.54
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)O1	REAL300005242419	0	54	0.0	-63.11	398.48	10.14	-52.97
CC(C)(C)CC(CC(=O)[O-])NC(=O)CCCC[NH+]1CCCC1	REAL300005242420	0	54	0.0	-74.05	395.25	10.12	-63.93
CC1=CC=C(N2CCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)CC2)[NH+]=C1	REAL300005242422	1	57	0.0	-62.10	404.10	9.68	-52.42
C[N@H+](CC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1=CC=CC=C1	REAL300005242423	1	51	0.0	-56.31	375.67	10.52	-45.79
C[N@@H+](CC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1=CC=CC=C1	REAL300005242423	1	51	0.0	-72.03	380.64	10.40	-61.63
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C2)CC1	REAL300005242427	0	63	0.0	-73.05	445.28	10.81	-62.24
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005242442	1	46	0.0	-70.90	357.85	8.31	-62.59
C[NH+](C)CC1=CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=NO1	REAL300005242471	1	47	0.0	-78.56	363.05	7.84	-70.72
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005242476	0	58	0.0	-62.42	423.15	11.84	-50.58
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005242476	1	58	0.0	-59.95	403.66	12.26	-47.69
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C1	REAL300005242500	0	59	0.0	-82.58	446.41	11.28	-71.30
C[NH+]1CCC(OCC(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005242517	0	52	0.0	-79.77	383.88	8.90	-70.87
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005242523	0	55	0.0	-80.37	410.41	10.51	-69.86
CC(C)(C)CC(CC(=O)[O-])NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300005242564	0	57	0.0	-76.70	414.50	9.83	-66.87
CC(C)(C)CC(CC(=O)[O-])NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300005242564	1	57	0.0	-45.96	411.66	10.12	-35.84
CCC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005242707	0	54	0.0	-69.58	385.64	9.78	-59.80
CCC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005242707	1	54	0.0	-70.78	382.78	9.66	-61.12
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005242740	0	54	0.0	-67.94	376.80	9.09	-58.85
CC(C)C[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005242740	1	54	0.0	-48.62	378.78	9.96	-38.66
CC(C)(C)CC(CC(=O)[O-])NC(=O)C[NH+]1CCC(CO)CC1	REAL300005242741	0	52	0.0	-69.02	377.97	5.99	-63.03
CC(C)(C)CC(CC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005242838	0	59	0.0	-76.13	432.40	12.28	-63.85
CC(C)(C)CC(CC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005242838	1	59	0.0	-68.85	418.78	12.41	-56.44
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005242876	1	58	0.0	-64.91	413.94	11.64	-53.27
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005242876	1	58	0.0	-52.96	410.27	12.13	-40.83
CC(C)[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005242964	0	54	0.0	-56.40	369.06	9.48	-46.92
CC(C)[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005242964	1	54	0.0	-56.67	369.94	9.48	-47.19
C[N@@H+]1CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C(C(F)(F)F)C1	REAL300005242965	0	48	0.0	-58.18	363.38	8.65	-49.53
C[N@H+]1CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C(C(F)(F)F)C1	REAL300005242965	1	48	0.0	-69.97	341.23	8.48	-61.49
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(=O)[O-])CC(C)(C)C)N1	REAL300005242991	1	49	0.0	-54.11	368.84	8.17	-45.94
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=C1	REAL300005243470	0	54	0.0	-71.80	399.27	11.21	-60.59
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C1	REAL300005243477	0	55	0.0	-84.07	412.23	10.11	-73.96
CC(C)(C)CC(CC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005243566	0	61	0.0	-58.31	438.53	12.97	-45.34
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C2)CCO1	REAL300005243568	1	59	0.0	-73.34	424.61	10.60	-62.74
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C2)CCO1	REAL300005243568	1	59	0.0	-86.45	429.85	10.49	-75.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC(=O)[O-])CC(C)(C)C)CC1	REAL300005243613	0	54	0.0	-64.81	376.39	9.49	-55.32
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005243680	0	57	0.0	-62.30	396.30	10.71	-51.59
CC(C)C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005243680	1	57	0.0	-62.30	396.30	10.71	-51.59
CN(C)CC1=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)O1	REAL300005243686	0	48	0.0	-82.05	368.84	8.63	-73.42
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)O1	REAL300005243686	1	48	0.0	-82.05	368.84	8.63	-73.42
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005243692	0	57	0.0	-65.01	378.49	9.67	-55.34
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC(=O)[O-])CC(C)(C)C)C1	REAL300005243692	1	57	0.0	-65.01	378.49	9.67	-55.34
CC(C)(C)CC(CC(=O)[O-])NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005243695	0	50	0.0	-61.43	352.94	9.67	-51.76
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1(C2CCCO2)CCC1	REAL300005243734	0	48	0.0	-50.20	348.88	6.93	-43.27
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3=CC=C(F)C=C3C2)C1	REAL300005243838	0	45	0.0	-50.89	348.17	8.70	-42.19
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005244944	0	53	0.0	-78.13	382.05	12.26	-65.87
CC1=[NH+]C=C2CCC(C(=O)N3CCCC[C@H]3CC(=O)[O-])CN12	REAL300005246232	1	45	0.0	-66.24	329.43	9.74	-56.50
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC[C@H]3CC(=O)[O-])CC2)=CS1	REAL300005246284	1	52	0.0	-79.08	387.78	10.06	-69.02
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC[C@H]2CC(=O)[O-])C=C1	REAL300005246346	0	56	0.0	-86.64	417.53	12.04	-74.60
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])=C1	REAL300005246352	0	56	0.0	-82.05	415.83	14.00	-68.05
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])=C1	REAL300005246352	1	56	0.0	-84.67	416.84	13.98	-70.69
C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CC(=O)[O-])CCCCC1	REAL300005246420	0	52	0.0	-78.75	333.69	9.52	-69.23
C[N@H+](CCC(=O)N1CCCC[C@H]1CC(=O)[O-])C1CCCCC1	REAL300005246422	0	52	0.0	-70.75	361.82	10.90	-59.85
C[N@@H+](CCC(=O)N1CCCC[C@H]1CC(=O)[O-])C1CCCCC1	REAL300005246422	1	52	0.0	-71.42	361.82	10.90	-60.52
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005246481	0	46	0.0	-89.92	350.14	9.48	-80.44
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005246500	0	54	0.0	-69.69	364.13	9.04	-60.65
O=C([O-])C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300005246524	1	50	0.0	-78.92	361.67	8.88	-70.04
CC[N@H+](CC1=CC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])C=C1)C(C)C	REAL300005246525	0	55	0.0	-85.49	387.20	11.97	-73.52
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])C=C1)C(C)C	REAL300005246525	1	55	0.0	-85.38	378.93	11.58	-73.80
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005246542	0	50	0.0	-65.52	364.59	11.54	-53.98
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005246542	1	50	0.0	-65.58	367.04	11.64	-53.94
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005246543	0	51	0.0	-76.90	362.11	10.76	-66.14
O=C([O-])C[C@@H]1CCCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005246565	0	54	0.0	-69.69	355.27	8.64	-61.05
CC(C(=O)N1CCCC[C@H]1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005246568	0	49	0.0	-55.78	351.85	11.01	-44.77
CC(C(=O)N1CCCC[C@H]1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005246568	1	49	0.0	-63.78	354.75	11.10	-52.68
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005246576	0	56	0.0	-51.02	392.75	12.99	-38.03
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005246576	1	56	0.0	-57.40	396.99	13.22	-44.18
C[NH+](C)CC1=CC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])C=N1	REAL300005246593	0	45	0.0	-83.65	334.88	8.47	-75.18
CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1CC(=O)[O-]	REAL300005246600	0	54	0.0	-72.05	381.47	11.22	-60.83
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005246618	0	50	0.0	-88.36	365.03	11.53	-76.83
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005246623	0	53	0.0	-76.76	380.69	12.27	-64.49
CCC(C(=O)N1CCCC[C@H]1CC(=O)[O-])[N@@H+]1CCOC(CC)C1	REAL300005246626	1	53	0.0	-55.92	355.95	8.76	-47.16
CCC(C(=O)N1CCCC[C@H]1CC(=O)[O-])[N@H+]1CCOC(CC)C1	REAL300005246626	1	53	0.0	-55.65	355.88	8.71	-46.94
CCN1CCC([NH+]2CCC(C(=O)N3CCCC[C@H]3CC(=O)[O-])CC2)CC1	REAL300005246629	0	61	0.0	-74.28	414.97	9.91	-64.37
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC[C@H]3CC(=O)[O-])C=C2)CC(C)O1	REAL300005246636	1	57	0.0	-90.19	408.81	11.31	-78.88
O=C([O-])C[C@@H]1CCCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005246645	1	54	0.0	-80.51	397.69	11.44	-69.07
O=C([O-])C[C@@H]1CCCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005246645	1	54	0.0	-83.40	397.79	11.45	-71.95
CC1=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005246659	1	44	0.0	-83.62	337.01	8.68	-74.94
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005246662	0	53	0.0	-88.44	380.74	12.28	-76.16
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005246673	1	46	0.0	-80.39	344.33	9.83	-70.56
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])C=C1	REAL300005246674	0	49	0.0	-92.48	362.71	11.22	-81.26
O=C([O-])C[C@@H]1CCCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005246678	1	51	0.0	-87.23	372.96	10.57	-76.66
O=C([O-])C[C@@H]1CCCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005246678	1	51	0.0	-76.66	366.22	10.35	-66.31
CC(C(=O)N1CCCC[C@H]1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005246687	0	59	0.0	-63.98	411.47	13.18	-50.80
CC(C(=O)N1CCCC[C@H]1CC(=O)[O-])[NH+]1CCSCC1	REAL300005246709	1	44	0.0	-58.83	319.04	9.15	-49.68
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC[C@H]1CC(=O)[O-]	REAL300005246716	0	49	0.0	-63.65	362.53	11.56	-52.09
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC[C@H]1CC(=O)[O-]	REAL300005246716	1	49	0.0	-59.63	362.26	11.55	-48.08
COCCOCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC(=O)[O-]	REAL300005246717	0	53	0.0	-69.08	391.58	7.92	-61.16
COCCOCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CC(=O)[O-]	REAL300005246717	1	53	0.0	-72.62	391.58	7.92	-64.70
O=C([O-])C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005246724	0	58	0.0	-76.67	417.70	11.44	-65.23
C[N@H+](CC(=O)N1CCCC[C@H]1CC(=O)[O-])C1CCSC1	REAL300005246746	0	44	0.0	-67.05	322.88	9.35	-57.70
C[N@@H+](CC(=O)N1CCCC[C@H]1CC(=O)[O-])C1CCSC1	REAL300005246746	1	44	0.0	-58.41	322.36	9.38	-49.03
CC(C)[NH+]1CCN(CCC(=O)N2CCCC[C@H]2CC(=O)[O-])CC1	REAL300005246756	0	54	0.0	-77.75	378.75	8.48	-69.27
CC(C)N1CC[NH+](CCC(=O)N2CCCC[C@H]2CC(=O)[O-])CC1	REAL300005246756	1	54	0.0	-65.11	375.26	8.31	-56.80
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC[C@H]2CC(=O)[O-])CC1	REAL300005246757	0	57	0.0	-75.98	395.13	8.90	-67.08
CC(C)N1CC[NH+](CCCC(=O)N2CCCC[C@H]2CC(=O)[O-])CC1	REAL300005246757	1	57	0.0	-73.11	396.75	9.07	-64.04
C[NH+](C)CCN1C=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])C=N1	REAL300005246759	0	46	0.0	-84.50	343.90	8.44	-76.06
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC[C@H]3CC(=O)[O-])CC2)=C1	REAL300005246762	0	58	0.0	-72.39	417.63	11.30	-61.09
O=C([O-])C[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005246764	0	55	0.0	-72.39	396.25	10.64	-61.75
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005246767	0	52	0.0	-67.14	375.39	10.50	-56.64
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005246767	1	52	0.0	-64.16	369.44	10.59	-53.57
CC(C(=O)N1CCCC[C@H]1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005246772	0	50	0.0	-55.74	355.09	11.42	-44.32
CC(C(=O)N1CCCC[C@H]1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005246772	1	50	0.0	-60.87	355.92	11.37	-49.50
CC(C(=O)N1CCCC[C@H]1CC(=O)[O-])[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300005246774	1	55	0.0	-62.62	396.46	10.43	-52.19
O=C([O-])C[C@@H]1CCCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005246791	0	53	0.0	-78.48	388.43	12.47	-66.01
O=C([O-])C[C@@H]1CCCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005246791	1	53	0.0	-77.92	388.86	12.49	-65.43
C[NH+](C)CCN1C=CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])=N1	REAL300005246802	0	46	0.0	-98.49	344.88	9.08	-89.41
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC[C@H]1CC(=O)[O-]	REAL300005246803	0	46	0.0	-63.25	339.28	8.41	-54.84
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC[C@H]1CC(=O)[O-]	REAL300005246804	1	47	0.0	-63.96	349.08	10.39	-53.57
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])=NN1	REAL300005246807	1	47	0.0	-85.05	345.74	8.63	-76.42
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])=NN1	REAL300005246807	1	47	0.0	-82.63	338.79	8.07	-74.56
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005246815	0	53	0.0	-61.47	376.60	12.20	-49.27
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005246815	1	53	0.0	-72.50	390.22	12.42	-60.08
O=C([O-])C[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005246819	0	54	0.0	-73.03	393.99	10.06	-62.97
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005246855	0	53	0.0	-69.84	365.39	10.96	-58.88
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005246855	1	53	0.0	-66.06	365.14	11.00	-55.06
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC[C@H]3CC(=O)[O-])=C2)CC1	REAL300005246880	0	55	0.0	-82.91	397.75	9.83	-73.08
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC[C@H]3CC(=O)[O-])C=C2)CC1	REAL300005246881	0	55	0.0	-88.50	398.52	9.84	-78.66
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC[C@H]3CC(=O)[O-])C=C2)CC1	REAL300005246881	1	55	0.0	-89.06	398.33	9.69	-79.37
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])C=C1	REAL300005246882	0	56	0.0	-87.00	400.28	11.25	-75.75
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005246959	0	57	0.0	-92.11	413.45	9.54	-82.57
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])=C1	REAL300005246963	0	46	0.0	-82.52	340.24	10.38	-72.14
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005246964	0	53	0.0	-62.15	382.23	12.30	-49.85
O=C([O-])C[C@@H]1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005246964	1	53	0.0	-59.45	373.86	12.33	-47.12
CC[NH+]1CCN(CCC(=O)N2CCCC[C@H]2CC(=O)[O-])CC1	REAL300005247005	0	51	0.0	-78.59	360.34	7.77	-70.82
CCN1CC[NH+](CCC(=O)N2CCCC[C@H]2CC(=O)[O-])CC1	REAL300005247005	1	51	0.0	-69.61	360.40	7.79	-61.82
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC[C@H]1CC(=O)[O-]	REAL300005247011	1	47	0.0	-65.03	348.92	10.44	-54.59
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC[C@H]3CC(=O)[O-])=CC=C1N2	REAL300005247058	1	51	0.0	-87.11	374.15	10.81	-76.30
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC[C@H]3CC(=O)[O-])=CC=C1N2	REAL300005247058	1	51	0.0	-86.42	374.21	10.79	-75.63
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])O1	REAL300005247098	0	49	0.0	-86.21	360.19	10.38	-75.83
CC1=CC=C(N2CCC(C(=O)N3CCCC[C@H]3CC(=O)[O-])CC2)[NH+]=C1	REAL300005247099	1	52	0.0	-77.91	373.46	9.95	-67.96
C[N@H+](CC(=O)N1CCCC[C@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300005247100	1	46	0.0	-61.70	339.75	10.71	-50.99
C[N@@H+](CC(=O)N1CCCC[C@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300005247100	1	46	0.0	-61.30	339.83	10.71	-50.59
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC[C@H]3CC(=O)[O-])C=C2)CC1	REAL300005247103	0	58	0.0	-86.77	408.22	10.76	-76.01
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005247112	1	41	0.0	-81.77	319.78	8.42	-73.35
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC[C@H]1CC(=O)[O-]	REAL300005247139	0	53	0.0	-64.49	376.48	12.38	-52.11
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC[C@H]1CC(=O)[O-]	REAL300005247139	1	53	0.0	-70.09	386.17	12.16	-57.93
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC[C@H]2CC(=O)[O-])C=C1	REAL300005247156	0	54	0.0	-90.66	404.41	11.78	-78.88
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005247170	0	50	0.0	-84.98	365.10	10.95	-74.03
C[N@@H+]1CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300005247464	0	43	0.0	-70.42	325.35	8.85	-61.57
C[N@H+]1CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300005247464	1	43	0.0	-82.74	309.29	9.00	-73.74
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])=C1	REAL300005247804	0	49	0.0	-85.10	362.70	11.22	-73.88
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])C=C1	REAL300005247809	0	50	0.0	-89.30	369.04	10.19	-79.11
O=C([O-])C[C@@H]1CCCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005247881	0	56	0.0	-74.03	403.16	13.13	-60.90
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC[C@H]3CC(=O)[O-])C=C2)CCO1	REAL300005247883	1	54	0.0	-93.13	393.14	10.60	-82.53
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC[C@H]3CC(=O)[O-])C=C2)CCO1	REAL300005247883	1	54	0.0	-87.95	387.52	10.55	-77.40
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC[C@H]3CC(=O)[O-])=CN21	REAL300005247907	0	41	0.0	-72.61	312.36	10.17	-62.44
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC[C@H]2CC(=O)[O-])C1	REAL300005247944	0	52	0.0	-56.72	353.93	10.85	-45.87
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC[C@H]2CC(=O)[O-])C1	REAL300005247944	1	52	0.0	-67.39	361.20	10.74	-56.65
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300005249631	0	55	0.0	-81.63	390.96	11.43	-70.20
CC1=[NH+]C=C2CCC(C(=O)N3CCCCC3C3=CC=C(C(=O)[O-])N3C)CN12	REAL300005249654	1	53	0.0	-73.44	392.65	10.66	-62.78
CC(C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)N1CC[NH+](C)CC1	REAL300005249713	1	56	0.0	-78.65	395.92	8.59	-70.06
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C	REAL300005249740	0	51	0.0	-74.97	359.78	9.39	-65.58
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C	REAL300005249740	1	51	0.0	-71.07	368.38	9.74	-61.33
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CC[NH+](C)CC1	REAL300005249795	0	51	0.0	-84.35	369.54	9.67	-74.68
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005249822	0	46	0.0	-80.06	352.85	11.28	-68.78
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300005249847	0	60	0.0	-90.31	391.45	11.25	-79.06
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300005249851	0	60	0.0	-79.28	419.68	12.38	-66.90
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300005249851	1	60	0.0	-78.77	419.67	12.42	-66.35
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CCC[N@@H+]1C	REAL300005249864	0	48	0.0	-72.16	348.79	8.91	-63.25
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CCC[N@H+]1C	REAL300005249864	1	48	0.0	-75.73	340.02	9.21	-66.52
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CC[NH+](C)CC1	REAL300005249911	0	51	0.0	-84.35	369.54	9.67	-74.68
CC1=[NH+]C=CN1CCCC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005249952	1	52	0.0	-75.11	398.67	11.12	-63.99
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300005249953	1	58	0.0	-82.24	425.44	9.81	-72.43
C[C@@H](C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[NH+](C)C	REAL300005249957	0	47	0.0	-70.80	335.37	9.05	-61.75
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300005249958	0	48	0.0	-72.09	349.88	8.98	-63.11
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300005249958	1	48	0.0	-78.24	346.20	8.69	-69.55
C[C@H](C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[NH+](C)C	REAL300005249961	0	47	0.0	-70.61	336.06	9.05	-61.56
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005249992	0	58	0.0	-76.45	421.26	13.02	-63.43
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005249992	1	58	0.0	-78.45	428.64	12.53	-65.92
CCC(C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[NH+](CC)CC	REAL300005250017	0	56	0.0	-67.93	389.89	10.35	-57.58
CC(C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[N@H+](C)CC1=CC=CC=C1	REAL300005250019	0	57	0.0	-78.31	420.36	12.14	-66.17
CC(C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[N@@H+](C)CC1=CC=CC=C1	REAL300005250019	1	57	0.0	-78.09	409.12	12.36	-65.73
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300005250037	0	53	0.0	-86.09	394.17	9.92	-76.17
CCC[NH+](CCC)CCCC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250040	0	62	0.0	-77.48	449.09	12.42	-65.06
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1C[N@H+](C)CCO1	REAL300005250041	1	49	0.0	-94.66	360.69	8.25	-86.41
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1C[N@@H+](C)CCO1	REAL300005250041	1	49	0.0	-85.51	347.58	8.65	-76.86
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250049	1	52	0.0	-69.21	390.25	10.79	-58.42
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005250060	0	58	0.0	-93.01	427.14	12.81	-80.20
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1(C[NH+](C)C)CC1	REAL300005250066	0	51	0.0	-74.76	363.48	10.20	-64.56
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCCC[NH+](C)C	REAL300005250071	0	53	0.0	-81.11	392.58	10.35	-70.76
CC1=C(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C=NN1C1=CC=[NH+]C=C1	REAL300005250088	1	52	0.0	-84.27	394.58	10.38	-73.89
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005250097	1	54	0.0	-80.29	401.34	10.97	-69.32
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300005250098	0	57	0.0	-95.82	424.82	12.51	-83.31
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250103	1	50	0.0	-72.02	373.66	9.32	-62.70
CCC[N@H+](C)CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250108	0	50	0.0	-72.89	360.51	10.13	-62.76
CCC[N@@H+](C)CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250108	1	50	0.0	-71.84	360.66	10.09	-61.75
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[N@H+](C)C1CCC1	REAL300005250122	0	51	0.0	-69.19	367.59	10.68	-58.51
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[N@@H+](C)C1CCC1	REAL300005250122	1	51	0.0	-72.39	373.83	10.14	-62.25
CC(C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[NH+]1CCSCC1	REAL300005250141	1	52	0.0	-75.27	377.21	9.80	-65.47
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300005250143	0	56	0.0	-73.03	391.20	11.26	-61.77
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300005250143	1	56	0.0	-74.99	397.31	10.73	-64.26
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300005250145	0	57	0.0	-73.55	420.57	13.12	-60.43
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300005250145	1	57	0.0	-74.72	420.41	13.15	-61.57
COCCOCC[N@H+](C)CCC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250146	0	61	0.0	-76.41	449.35	9.41	-67.00
COCCOCC[N@@H+](C)CCC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250146	1	61	0.0	-79.18	449.46	9.41	-69.77
CC[C@@H](C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[NH+](C)C	REAL300005250148	0	50	0.0	-67.29	340.05	9.18	-58.11
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300005250150	0	55	0.0	-75.10	379.27	8.83	-66.27
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300005250150	1	55	0.0	-70.00	387.61	8.16	-61.84
CCCCCC[N@H+](C)CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250162	0	59	0.0	-74.13	425.00	12.47	-61.66
CCCCCC[N@@H+](C)CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250162	1	59	0.0	-73.05	425.15	12.43	-60.62
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005250177	1	46	0.0	-88.26	353.12	11.29	-76.97
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[N@H+](C)C1CCSC1	REAL300005250185	0	52	0.0	-74.87	380.55	10.97	-63.90
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[N@@H+](C)C1CCSC1	REAL300005250185	1	52	0.0	-77.94	380.85	10.93	-67.01
CC(C)[NH+]1CCN(CCC(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC1	REAL300005250200	0	62	0.0	-80.58	443.08	9.38	-71.20
CC(C)N1CC[NH+](CCC(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC1	REAL300005250200	1	62	0.0	-79.23	442.44	9.37	-69.86
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300005250201	0	55	0.0	-69.45	391.75	10.82	-58.63
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300005250201	1	55	0.0	-79.50	372.81	10.91	-68.59
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300005250203	0	54	0.0	-88.06	408.60	9.32	-78.74
CC(C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005250212	1	58	0.0	-74.44	411.53	12.85	-61.59
CC(C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005250212	1	58	0.0	-75.82	414.37	13.05	-62.77
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300005250237	0	54	0.0	-99.06	402.49	10.38	-88.68
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300005250238	0	54	0.0	-54.93	390.80	9.83	-45.10
C[C@@H]1[C@H](C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC[N@@H+]1C	REAL300005250240	0	51	0.0	-84.92	348.35	9.52	-75.40
C[C@@H]1[C@H](C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC[N@H+]1C	REAL300005250240	1	51	0.0	-81.43	368.65	9.43	-72.00
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250241	1	55	0.0	-73.05	407.24	11.99	-61.06
CC[C@@H]1[C@@H](C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC[N@@H+]1C	REAL300005250244	0	54	0.0	-80.67	373.29	10.23	-70.44
CC[C@@H]1[C@@H](C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC[N@H+]1C	REAL300005250244	1	54	0.0	-73.24	377.30	10.67	-62.57
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300005250246	1	55	0.0	-86.04	410.28	9.53	-76.51
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300005250246	1	55	0.0	-87.12	404.09	10.12	-77.00
CC1C[N@H+](C)CC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)O1	REAL300005250251	1	52	0.0	-91.77	368.04	9.41	-82.36
CC1C[N@@H+](C)CC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)O1	REAL300005250251	1	52	0.0	-95.60	382.21	9.00	-86.60
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[NH+]1CCCC1	REAL300005250257	0	48	0.0	-73.62	346.76	9.86	-63.76
CC1=[NH+]C=CN1CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250259	1	46	0.0	-68.69	350.68	10.33	-58.36
CC(C[NH+]1CCOCC1)C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250261	0	55	0.0	-78.96	395.30	8.68	-70.28
CC1CC[NH+](CC(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC1	REAL300005250280	0	54	0.0	-75.55	383.79	11.22	-64.33
CC[N@@H+]1CCOC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C1	REAL300005250291	1	52	0.0	-73.47	358.09	9.22	-64.25
CC[N@H+]1CCOC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C1	REAL300005250291	1	52	0.0	-93.84	370.44	9.19	-84.65
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005250320	0	61	0.0	-75.71	422.51	12.36	-63.35
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005250320	1	61	0.0	-78.28	427.64	11.86	-66.42
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCC1CCC[N@@H+]1C	REAL300005250325	0	54	0.0	-75.50	389.48	10.23	-65.27
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCC1CCC[N@H+]1C	REAL300005250325	1	54	0.0	-83.66	388.13	11.23	-72.43
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300005250336	0	55	0.0	-72.33	379.96	11.16	-61.17
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300005250336	1	55	0.0	-73.43	379.72	11.04	-62.39
CC[NH+](CC)CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250355	0	50	0.0	-73.57	362.64	9.49	-64.08
CC(C)[NH+]1CCC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC1	REAL300005250357	0	57	0.0	-81.97	403.74	10.85	-71.12
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C12CC[NH+](CC1)C2	REAL300005250422	0	49	0.0	-80.47	345.13	8.85	-71.62
CCC(C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[NH+](C)C	REAL300005250425	0	50	0.0	-69.41	352.98	9.06	-60.35
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300005250432	0	52	0.0	-78.57	354.93	9.60	-68.97
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300005250432	1	52	0.0	-92.58	358.39	8.89	-83.69
CC1CCC(C)[NH+]1CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250467	0	54	0.0	-71.78	382.29	9.93	-61.85
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300005250468	0	54	0.0	-79.80	403.37	11.27	-68.53
C#CC[NH+]1CCC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC1	REAL300005250511	0	53	0.0	-83.45	388.14	11.28	-72.17
CC[NH+]1CCN(CCC(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC1	REAL300005250513	0	59	0.0	-81.97	426.34	8.87	-73.10
CCN1CC[NH+](CCC(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)CC1	REAL300005250513	1	59	0.0	-79.14	425.81	8.83	-70.31
CC(C)[N@H+](C)CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250514	0	50	0.0	-69.70	355.81	9.89	-59.81
CC(C)[N@@H+](C)CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250514	1	50	0.0	-68.94	355.84	9.89	-59.05
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250518	1	55	0.0	-71.36	406.74	11.93	-59.43
CC[N@H+](CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)C1CC1	REAL300005250524	0	51	0.0	-70.12	369.93	10.68	-59.44
CC[N@@H+](CC(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)C1CC1	REAL300005250524	1	51	0.0	-72.69	373.17	10.10	-62.59
CC(C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C)[NH+]1CCCCCC1	REAL300005250546	0	57	0.0	-68.98	387.29	11.04	-57.94
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300005250549	0	48	0.0	-75.70	342.15	8.54	-67.16
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300005250549	1	48	0.0	-71.40	352.37	9.10	-62.30
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[NH2+]C(C)(C)C	REAL300005250608	0	50	0.0	-72.98	366.16	7.87	-65.11
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)O1	REAL300005250610	0	57	0.0	-89.65	423.07	11.31	-78.34
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCCC[NH+]1CCCC1	REAL300005250611	0	57	0.0	-79.25	418.50	11.54	-67.71
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300005250613	1	54	0.0	-79.98	403.87	11.75	-68.23
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300005250613	1	54	0.0	-77.52	398.04	12.29	-65.23
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005250637	1	49	0.0	-85.43	383.54	9.27	-76.16
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300005250656	1	50	0.0	-84.81	382.28	9.44	-75.37
CC(C)[N@@H+]1CCCC1C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250668	0	54	0.0	-71.09	384.22	10.06	-61.03
CC(C)[N@H+]1CCCC1C(=O)N1CCCCC1C1=CC=C(C(=O)[O-])N1C	REAL300005250668	1	54	0.0	-70.09	375.86	10.60	-59.49
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)COC1CC[NH+](C)CC1	REAL300005250683	0	55	0.0	-87.39	407.68	10.17	-77.22
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005250687	0	58	0.0	-90.35	428.83	11.69	-78.66
CCC[N@@H+]1CCCC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C1	REAL300005250808	0	57	0.0	-77.16	407.51	10.97	-66.19
CCC[N@H+]1CCCC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C1	REAL300005250808	1	57	0.0	-76.28	407.34	11.00	-65.28
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300005250829	0	55	0.0	-79.63	394.65	7.91	-71.72
CC(C)[N@@H+]1CCCC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C1	REAL300005250981	0	57	0.0	-64.29	390.20	11.45	-52.84
CC(C)[N@H+]1CCCC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C1	REAL300005250981	1	57	0.0	-73.20	396.93	11.24	-61.96
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300005250982	0	51	0.0	-84.56	387.24	9.66	-74.90
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300005250982	1	51	0.0	-77.16	370.93	9.77	-67.39
CC1=C(C)[NH+]=C(CCC(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)N1	REAL300005251004	1	52	0.0	-71.31	391.34	10.07	-61.24
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC(CC[NH+](C)C)=CC=C1	REAL300005251343	0	57	0.0	-81.06	423.58	12.12	-68.94
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300005251349	0	58	0.0	-90.27	426.45	11.53	-78.74
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300005251456	0	51	0.0	-78.59	376.56	9.90	-68.69
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300005251460	0	57	0.0	-71.89	389.73	11.11	-60.78
CC1=[NH+]C=C2C=CC(C(=O)N3CCCCC3C3=CC=C(C(=O)[O-])N3C)=CN21	REAL300005251463	0	49	0.0	-77.60	376.54	11.06	-66.54
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C1	REAL300005251509	0	60	0.0	-65.02	412.40	12.37	-52.65
CC(C)C[N@H+]1CCCC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C1	REAL300005251509	1	60	0.0	-67.48	418.69	11.85	-55.63
CC[N@@H+]1CCCC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C1	REAL300005251510	0	54	0.0	-62.80	373.58	10.95	-51.85
CC[N@H+]1CCCC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C1	REAL300005251510	1	54	0.0	-62.20	366.78	10.64	-51.56
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CCC[N@H+](C)C1	REAL300005251515	0	51	0.0	-77.64	368.18	9.60	-68.04
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1CCC[N@@H+](C)C1	REAL300005251515	1	51	0.0	-64.59	362.01	9.73	-54.86
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300005251517	1	51	0.0	-91.57	387.24	9.82	-81.75
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005251525	0	53	0.0	-81.61	378.89	11.21	-70.40
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300005251525	1	53	0.0	-80.43	378.60	10.26	-70.17
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3CC[NH+](C4CC4)CC3)C1)CC2	REAL300005253178	0	58	0.0	-72.01	405.80	11.82	-60.19
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C45CC(CC4)C5C(=O)[O-])C3)CN12	REAL300005253201	1	56	0.0	-64.66	401.26	11.55	-53.11
CC(C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300005253260	1	59	0.0	-74.44	407.53	8.82	-65.62
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253287	0	54	0.0	-65.87	379.13	10.64	-55.23
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253287	1	54	0.0	-68.73	366.99	10.17	-58.56
C[NH+]1CCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005253341	0	54	0.0	-82.03	381.14	10.62	-71.41
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C1)CC2	REAL300005253368	0	49	0.0	-89.38	372.79	12.40	-76.98
C[NH+](C)CC1(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CCCCC1	REAL300005253393	0	63	0.0	-69.43	407.33	11.91	-57.52
C[N@H+](CCC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)C1CCCCC1	REAL300005253397	0	63	0.0	-73.51	430.66	12.54	-60.97
C[N@@H+](CCC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)C1CCCCC1	REAL300005253397	1	63	0.0	-72.99	430.62	12.55	-60.44
C[N@@H+]1CCCC1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253410	0	51	0.0	-68.92	359.42	9.84	-59.08
C[N@H+]1CCCC1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253410	1	51	0.0	-72.41	360.34	9.89	-62.52
C[NH+]1CCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005253457	0	54	0.0	-82.03	381.14	10.62	-71.41
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253498	1	55	0.0	-69.41	403.09	11.87	-57.54
O=C([O-])C1C2CC1(C1CCCN(C(=O)CCCC[NH+]3CCOCC3)C1)CC2	REAL300005253499	1	61	0.0	-76.64	430.38	10.56	-66.08
C[C@@H](C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[NH+](C)C	REAL300005253503	0	50	0.0	-70.72	354.40	9.42	-61.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253504	0	51	0.0	-79.22	355.62	9.55	-69.67
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253504	1	51	0.0	-71.70	360.10	9.88	-61.82
C[C@H](C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[NH+](C)C	REAL300005253507	0	50	0.0	-72.82	354.90	9.41	-63.41
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C1)CC2	REAL300005253538	0	61	0.0	-80.67	436.57	13.28	-67.39
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C1)CC2	REAL300005253538	1	61	0.0	-79.75	440.43	13.43	-66.32
CCC(C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[NH+](CC)CC	REAL300005253563	0	59	0.0	-64.63	398.62	11.23	-53.40
CC(C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300005253565	0	60	0.0	-66.77	425.47	12.85	-53.92
CC(C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005253565	1	60	0.0	-69.04	425.64	12.91	-56.13
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C=N1	REAL300005253581	0	56	0.0	-93.47	404.16	10.56	-82.91
CCC[NH+](CCC)CCCC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253584	0	65	0.0	-73.02	454.29	13.15	-59.87
C[N@@H+]1CCOC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005253585	1	52	0.0	-85.55	370.05	9.29	-76.26
C[N@H+]1CCOC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005253585	1	52	0.0	-90.62	370.87	9.30	-81.32
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253593	1	55	0.0	-68.85	398.10	11.63	-57.22
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C1)CC2	REAL300005253604	0	61	0.0	-98.21	438.92	13.33	-84.88
C[NH+](C)CC1(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005253610	0	54	0.0	-67.26	386.84	10.66	-56.60
C[NH+](C)CCCCC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253615	0	56	0.0	-74.88	397.48	11.10	-63.78
CC1=C(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300005253632	1	55	0.0	-88.58	410.37	10.58	-78.00
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C1)CC2	REAL300005253641	1	57	0.0	-87.40	419.52	11.51	-75.89
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C=C1	REAL300005253642	0	60	0.0	-101.90	436.62	13.02	-88.88
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253647	1	53	0.0	-68.71	382.99	9.44	-59.27
CCC[N@H+](C)CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253652	0	53	0.0	-70.03	371.41	10.32	-59.71
CCC[N@@H+](C)CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253652	1	53	0.0	-70.23	371.49	10.31	-59.92
C[N@H+](CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)C1CCC1	REAL300005253665	0	54	0.0	-67.40	378.36	10.89	-56.51
C[N@@H+](CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)C1CCC1	REAL300005253665	1	54	0.0	-67.86	378.33	10.89	-56.97
CC(C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[NH+]1CCSCC1	REAL300005253684	1	55	0.0	-72.66	394.47	11.00	-61.66
C[N@H+](CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)CC(C)(C)C	REAL300005253686	0	59	0.0	-75.71	404.88	11.44	-64.27
C[N@@H+](CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)CC(C)(C)C	REAL300005253686	1	59	0.0	-70.07	402.31	11.43	-58.64
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253688	0	60	0.0	-74.13	431.32	13.34	-60.79
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253688	1	60	0.0	-74.01	431.39	13.34	-60.67
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253689	0	64	0.0	-73.58	460.46	9.62	-63.96
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253689	1	64	0.0	-73.71	460.43	9.59	-64.12
CC[C@@H](C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[NH+](C)C	REAL300005253691	0	53	0.0	-69.62	362.94	9.97	-59.65
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005253693	0	58	0.0	-76.56	406.13	9.55	-67.01
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005253693	1	58	0.0	-79.66	396.25	9.40	-70.26
CCCCCC[N@H+](C)CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253705	0	62	0.0	-71.25	435.90	12.66	-58.59
CCCCCC[N@@H+](C)CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253705	1	62	0.0	-71.50	435.98	12.67	-58.83
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C1)CC2	REAL300005253720	1	49	0.0	-85.77	367.29	12.24	-73.53
C[N@H+](CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)C1CCSC1	REAL300005253728	0	55	0.0	-74.62	392.92	11.15	-63.47
C[N@@H+](CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)C1CCSC1	REAL300005253728	1	55	0.0	-77.09	397.27	11.27	-65.82
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005253743	0	65	0.0	-82.53	453.40	10.27	-72.26
CC(C)N1CC[NH+](CCC(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005253743	1	65	0.0	-73.24	443.97	9.95	-63.29
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3CCCC4CCC[N@@H+]43)C1)CC2	REAL300005253744	0	58	0.0	-73.36	391.32	11.14	-62.22
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3CCCC4CCC[N@H+]43)C1)CC2	REAL300005253744	1	58	0.0	-68.92	383.49	11.36	-57.56
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C=N1	REAL300005253746	0	57	0.0	-88.74	412.99	10.06	-78.68
CC(C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005253755	0	61	0.0	-72.98	430.14	13.31	-59.67
CC(C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005253755	1	61	0.0	-73.22	432.36	13.44	-59.78
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)=N1	REAL300005253780	0	57	0.0	-99.76	412.45	10.69	-89.07
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253781	0	57	0.0	-58.92	406.98	10.02	-48.90
C[C@@H]1[C@H](C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC[N@@H+]1C	REAL300005253783	0	54	0.0	-76.12	371.88	10.26	-65.86
C[C@@H]1[C@H](C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC[N@H+]1C	REAL300005253783	1	54	0.0	-74.42	380.84	10.35	-64.07
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253784	1	58	0.0	-65.86	418.11	12.19	-53.67
CC[C@@H]1[C@@H](C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC[N@@H+]1C	REAL300005253787	0	57	0.0	-62.93	395.39	10.77	-52.16
CC[C@@H]1[C@@H](C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC[N@H+]1C	REAL300005253787	1	57	0.0	-78.87	397.58	10.93	-67.94
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)=NN1	REAL300005253789	1	58	0.0	-87.32	421.17	10.48	-76.84
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)=NN1	REAL300005253789	1	58	0.0	-82.04	413.53	9.87	-72.17
CC1C[N@H+](C)CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)O1	REAL300005253794	1	55	0.0	-91.89	384.97	9.60	-82.29
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)O1	REAL300005253794	1	55	0.0	-72.10	384.23	9.88	-62.22
O=C([O-])C1C2CC1(C1CCCN(C(=O)C[NH+]3CCCC3)C1)CC2	REAL300005253800	0	51	0.0	-69.18	356.34	10.01	-59.17
CC1=[NH+]C=CN1CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253802	1	49	0.0	-69.98	366.34	10.61	-59.37
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253804	0	58	0.0	-77.93	407.38	9.61	-68.32
CC1CC[NH+](CC(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005253823	0	57	0.0	-70.12	394.83	11.39	-58.73
CC[N@@H+]1CCOC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005253834	1	55	0.0	-83.38	381.74	9.78	-73.60
CC[N@H+]1CCOC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005253834	1	55	0.0	-80.38	380.74	9.76	-70.62
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C1)CC2	REAL300005253863	0	64	0.0	-72.88	436.24	12.72	-60.16
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C1)CC2	REAL300005253863	1	64	0.0	-77.01	438.76	12.79	-64.22
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253868	0	57	0.0	-74.89	399.73	11.48	-63.41
C[N@H+]1CCCC1CCC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253868	1	57	0.0	-78.27	398.90	11.09	-67.18
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3CCC4CCCC[N@@H+]43)C1)CC2	REAL300005253879	0	58	0.0	-62.06	395.25	11.66	-50.40
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3CCC4CCCC[N@H+]43)C1)CC2	REAL300005253879	1	58	0.0	-71.27	405.74	11.87	-59.40
CC[NH+](CC)CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005253898	0	53	0.0	-67.85	367.87	10.25	-57.60
CC(C)[NH+]1CCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005253900	0	60	0.0	-72.42	410.97	11.69	-60.73
O=C([O-])C1C2CC1(C1CCCN(C(=O)C34CC[NH+](CC3)C4)C1)CC2	REAL300005253965	0	52	0.0	-78.11	362.27	9.30	-68.81
CCC(C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[NH+](C)C	REAL300005253968	0	53	0.0	-74.85	368.49	10.10	-64.75
O=C([O-])C1C2CC1(C1CCCN(C(=O)C34CC[N@H+](C3)CCC4)C1)CC2	REAL300005253975	0	55	0.0	-82.50	372.82	9.96	-72.54
O=C([O-])C1C2CC1(C1CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C1)CC2	REAL300005253975	1	55	0.0	-79.94	372.53	9.94	-70.00
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005254010	0	57	0.0	-66.64	389.61	10.93	-55.71
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)=C1	REAL300005254011	0	57	0.0	-86.43	414.24	12.18	-74.25
C#CC[NH+]1CCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005254053	0	56	0.0	-76.96	401.76	11.70	-65.26
CC[NH+]1CCN(CCC(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005254055	0	62	0.0	-84.15	436.18	9.72	-74.43
CCN1CC[NH+](CCC(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005254055	1	62	0.0	-73.31	430.73	9.63	-63.68
CC(C)[N@H+](C)CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005254056	0	53	0.0	-67.26	366.67	10.11	-57.15
CC(C)[N@@H+](C)CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005254056	1	53	0.0	-67.77	366.60	10.11	-57.66
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005254060	1	58	0.0	-73.40	423.52	12.24	-61.16
CC[N@H+](CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)C1CC1	REAL300005254066	0	54	0.0	-66.10	381.35	10.94	-55.16
CC[N@@H+](CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)C1CC1	REAL300005254066	1	54	0.0	-66.99	378.19	10.93	-56.06
CC(C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300005254087	0	60	0.0	-64.96	399.99	11.37	-53.59
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005254090	0	51	0.0	-71.16	360.75	9.97	-61.19
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005254090	1	51	0.0	-70.41	355.41	9.59	-60.82
CC(C)(C)[NH2+]CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005254147	0	53	0.0	-68.76	371.07	8.65	-60.11
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)O1	REAL300005254149	0	60	0.0	-90.44	427.47	11.97	-78.47
O=C([O-])C1C2CC1(C1CCCN(C(=O)CCCC[NH+]3CCCC3)C1)CC2	REAL300005254150	0	60	0.0	-73.37	423.45	12.28	-61.09
C[N@H+](CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005254152	1	57	0.0	-73.74	408.92	12.50	-61.24
C[N@@H+](CC(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005254152	1	57	0.0	-73.97	408.83	12.50	-61.47
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C1)CC2	REAL300005254176	1	52	0.0	-86.60	387.99	10.01	-76.59
C[NH+](C)CC1=CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)=NO1	REAL300005254193	1	53	0.0	-87.96	387.38	10.15	-77.81
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005254205	0	57	0.0	-71.79	381.66	11.15	-60.64
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C23CC(CC2)C3C(=O)[O-])C1	REAL300005254205	1	57	0.0	-67.10	390.03	10.87	-56.23
C[NH+]1CCC(OCC(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005254220	0	58	0.0	-90.79	417.92	11.23	-79.56
CCC[N@@H+]1CCCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005254344	0	60	0.0	-84.04	411.16	11.83	-72.21
CCC[N@H+]1CCCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005254344	1	60	0.0	-80.27	421.08	12.02	-68.25
O=C([O-])C1C2CC1(C1CCCN(C(=O)C[NH+]3CCC(CO)CC3)C1)CC2	REAL300005254365	0	58	0.0	-71.37	405.68	8.08	-63.29
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005254515	0	60	0.0	-67.05	402.67	11.78	-55.27
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005254515	1	60	0.0	-62.08	405.57	11.60	-50.48
C[N@@H+]1CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005254516	0	54	0.0	-94.70	399.43	10.62	-84.08
C[N@H+]1CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005254516	1	54	0.0	-81.84	396.29	10.53	-71.31
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)N1	REAL300005254537	1	55	0.0	-73.60	409.25	10.42	-63.18
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)=C1	REAL300005254874	0	60	0.0	-88.68	436.73	13.03	-75.65
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005254985	0	54	0.0	-77.10	387.43	10.84	-66.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)CC1	REAL300005254989	0	60	0.0	-78.76	407.02	11.55	-67.21
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(C45CC(CC4)C5C(=O)[O-])C3)=CN21	REAL300005254992	0	52	0.0	-84.07	394.19	12.19	-71.88
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005255037	0	63	0.0	-80.84	429.78	12.56	-68.28
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005255037	1	63	0.0	-75.82	429.55	12.39	-63.43
CC[N@@H+]1CCCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005255038	0	57	0.0	-66.14	390.59	11.14	-55.00
CC[N@H+]1CCCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005255038	1	57	0.0	-65.78	398.67	11.22	-54.56
C[N@@H+]1CCCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005255043	0	54	0.0	-80.14	376.47	10.39	-69.75
C[N@H+]1CCCC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C1	REAL300005255043	1	54	0.0	-64.25	374.18	10.73	-53.52
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)O1	REAL300005255045	1	54	0.0	-93.03	392.12	10.59	-82.44
O=C([O-])C1C2CC1(C1CCCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C1)CC2	REAL300005255053	0	56	0.0	-68.82	395.50	11.48	-57.34
O=C([O-])C1C2CC1(C1CCCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C1)CC2	REAL300005255053	1	56	0.0	-78.39	391.86	11.88	-66.51
CC1(C)CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005256114	0	53	0.0	-83.51	395.14	11.66	-71.85
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)CN21	REAL300005257402	1	45	0.0	-66.40	341.64	9.14	-57.26
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)CC2)=CS1	REAL300005257454	1	52	0.0	-79.98	402.53	9.42	-70.56
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300005257516	0	56	0.0	-84.63	428.06	11.16	-73.47
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300005257522	0	56	0.0	-82.22	428.84	13.51	-68.71
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300005257522	1	56	0.0	-80.96	428.80	13.53	-67.43
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)CCCCC1	REAL300005257590	0	52	0.0	-77.61	347.51	9.29	-68.32
C[N@H+](CCC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CCCCC1	REAL300005257592	0	52	0.0	-69.74	372.39	9.99	-59.75
C[N@@H+](CCC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CCCCC1	REAL300005257592	1	52	0.0	-69.89	372.18	10.01	-59.88
CC1(C)CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)(C(=O)[O-])C1	REAL300005257651	0	46	0.0	-88.95	363.22	9.07	-79.88
CC1(C)CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)(C(=O)[O-])C1	REAL300005257670	0	54	0.0	-83.58	385.44	8.68	-74.90
CC1(C)CC(NC(=O)CCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300005257694	1	50	0.0	-78.65	372.03	8.00	-70.65
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1)C(C)C	REAL300005257695	0	55	0.0	-88.34	393.10	11.36	-76.98
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1)C(C)C	REAL300005257695	1	55	0.0	-85.66	391.61	11.11	-74.55
CC1(C)CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005257712	0	50	0.0	-69.77	376.77	10.79	-58.98
CC1(C)CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005257712	1	50	0.0	-70.59	378.37	10.87	-59.72
CC1(C)CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)(C(=O)[O-])C1	REAL300005257713	0	51	0.0	-80.94	377.79	10.31	-70.63
CC1(C)CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)(C(=O)[O-])C1	REAL300005257735	0	54	0.0	-70.96	370.73	8.04	-62.92
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300005257738	0	49	0.0	-66.32	368.96	10.39	-55.93
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005257738	1	49	0.0	-61.40	367.53	10.32	-51.08
CC1(C)CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005257746	0	56	0.0	-72.82	417.64	12.48	-60.34
CC1(C)CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005257746	1	56	0.0	-63.03	410.79	12.57	-50.46
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=N1	REAL300005257763	0	45	0.0	-83.67	347.90	8.07	-75.60
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300005257770	0	54	0.0	-72.05	392.07	10.33	-61.72
CC1(C)CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)(C(=O)[O-])C1	REAL300005257788	0	50	0.0	-88.07	376.72	11.06	-77.01
CC1(C)CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)(C(=O)[O-])C1	REAL300005257793	0	53	0.0	-77.08	393.70	11.78	-65.30
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)CC2)CC1	REAL300005257799	0	61	0.0	-78.66	427.74	9.24	-69.42
CC1C[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CC(C)O1	REAL300005257806	1	57	0.0	-91.43	427.04	10.81	-80.62
CC1(C)CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005257815	1	54	0.0	-84.07	401.20	10.60	-73.47
CC1(C)CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005257815	1	54	0.0	-82.85	408.14	10.66	-72.19
CC1=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=NN1C1=CC=[NH+]C=C1	REAL300005257829	1	44	0.0	-83.69	349.75	8.26	-75.43
CC1(C)CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300005257832	0	53	0.0	-88.36	393.46	11.76	-76.60
CC1(C)CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C1	REAL300005257843	1	46	0.0	-80.51	357.39	8.55	-71.96
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300005257844	0	49	0.0	-91.41	374.63	10.78	-80.63
CC1(C)CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005257848	1	51	0.0	-63.35	380.15	9.86	-53.49
CC1(C)CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005257848	1	51	0.0	-77.43	388.14	10.07	-67.36
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005257857	0	59	0.0	-62.53	431.37	12.82	-49.71
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)C1)[NH+]1CCSCC1	REAL300005257879	1	44	0.0	-60.98	329.15	8.16	-52.82
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300005257886	0	49	0.0	-64.42	373.13	10.77	-53.65
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300005257886	1	49	0.0	-64.38	373.13	10.77	-53.61
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300005257887	0	53	0.0	-68.96	402.13	7.03	-61.93
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300005257887	1	53	0.0	-72.10	402.18	7.04	-65.06
CC1(C)CC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005257894	0	58	0.0	-76.94	428.28	10.55	-66.39
C[N@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CCSC1	REAL300005257916	0	44	0.0	-64.39	333.28	8.53	-55.86
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CCSC1	REAL300005257916	1	44	0.0	-63.55	333.26	8.58	-54.97
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300005257926	0	54	0.0	-76.30	389.34	7.58	-68.72
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300005257926	1	54	0.0	-69.34	388.72	7.57	-61.77
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300005257927	0	57	0.0	-75.19	405.72	8.02	-67.17
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300005257927	1	57	0.0	-72.94	407.15	8.18	-64.76
C[NH+](C)CCN1C=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=N1	REAL300005257929	0	46	0.0	-84.38	358.29	7.96	-76.42
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C(=O)[O-])CC(C)(C)C3)CC2)=C1	REAL300005257932	0	58	0.0	-72.82	427.97	10.42	-62.40
CC1(C)CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005257934	0	55	0.0	-72.79	406.79	9.75	-63.04
CC1(C)CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])C1	REAL300005257937	0	52	0.0	-69.79	383.26	9.94	-59.85
CC1(C)CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])C1	REAL300005257937	1	52	0.0	-67.27	382.29	9.89	-57.38
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005257942	1	50	0.0	-62.88	368.70	10.87	-52.01
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005257942	1	50	0.0	-63.57	367.96	10.85	-52.72
CC1(C)CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005257961	0	53	0.0	-76.61	397.56	11.52	-65.09
CC1(C)CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005257961	1	53	0.0	-77.60	399.57	11.60	-66.00
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300005257972	0	46	0.0	-94.14	358.67	7.98	-86.16
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300005257973	0	46	0.0	-59.82	354.05	7.77	-52.05
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CC1(C)CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])C1	REAL300005257985	1	53	0.0	-60.78	393.77	11.72	-49.06
CC1(C)CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)(C(=O)[O-])C1	REAL300005257989	0	54	0.0	-72.03	404.54	9.16	-62.87
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300005258024	1	53	0.0	-80.02	395.77	9.99	-70.03
CC1(C)CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300005258025	0	53	0.0	-69.17	379.53	10.32	-58.85
CC1(C)CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300005258025	1	53	0.0	-70.25	378.55	10.31	-59.94
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C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CC1	REAL300005258051	0	55	0.0	-89.58	409.87	9.17	-80.41
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CC1	REAL300005258051	1	55	0.0	-89.84	410.21	9.23	-80.61
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300005258052	0	56	0.0	-88.54	417.15	11.06	-77.48
CC1(C)CC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)(C(=O)[O-])C1	REAL300005258129	0	57	0.0	-90.25	425.38	9.08	-81.17
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300005258133	0	46	0.0	-80.10	352.08	9.90	-70.20
CC1(C)CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005258134	0	53	0.0	-60.82	387.48	11.67	-49.15
CC1(C)CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005258134	1	53	0.0	-60.88	387.48	11.67	-49.21
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300005258175	0	51	0.0	-78.06	372.59	7.07	-70.99
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300005258175	1	51	0.0	-69.32	372.09	7.03	-62.29
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300005258181	1	47	0.0	-64.52	359.44	9.57	-54.95
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=C1N2	REAL300005258228	1	51	0.0	-86.28	386.94	10.36	-75.92
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=C1N2	REAL300005258228	1	51	0.0	-85.96	386.79	10.32	-75.64
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)O1	REAL300005258268	0	49	0.0	-82.37	373.84	9.65	-72.72
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)CC2)[NH+]=C1	REAL300005258269	1	52	0.0	-76.22	387.94	9.49	-66.73
C[N@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)C1)CC1=CC=CC=C1	REAL300005258270	1	46	0.0	-65.94	350.66	9.92	-56.02
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)C1)CC1=CC=CC=C1	REAL300005258270	1	46	0.0	-65.56	350.69	9.92	-55.64
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CC1	REAL300005258273	0	58	0.0	-88.82	420.11	10.30	-78.52
CC1(C)CC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)(C(=O)[O-])C1	REAL300005258282	1	41	0.0	-81.80	333.28	7.90	-73.90
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300005258309	0	53	0.0	-75.98	398.70	11.39	-64.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300005258309	1	53	0.0	-71.03	390.20	11.21	-59.82
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300005258326	0	54	0.0	-88.87	416.24	10.88	-77.99
CC1(C)CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)(C(=O)[O-])C1	REAL300005258340	0	50	0.0	-83.61	379.04	10.04	-73.57
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C(F)(F)F)C1	REAL300005258634	0	43	0.0	-83.88	336.94	8.10	-75.78
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C(F)(F)F)C1	REAL300005258634	1	43	0.0	-85.39	338.09	8.13	-77.26
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300005258974	0	49	0.0	-82.83	374.63	10.75	-72.08
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300005258979	0	50	0.0	-89.94	381.95	9.72	-80.22
CC1(C)CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005259051	0	56	0.0	-74.01	413.71	12.27	-61.74
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CCO1	REAL300005259053	1	54	0.0	-91.90	406.04	10.11	-81.79
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CCO1	REAL300005259053	1	54	0.0	-91.28	399.49	10.09	-81.19
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CN21	REAL300005259077	0	41	0.0	-70.81	325.57	9.70	-61.11
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300005259114	0	52	0.0	-56.15	364.78	10.08	-46.07
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300005259114	1	52	0.0	-56.98	367.31	10.18	-46.80
CC1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005260859	0	54	0.0	-76.37	391.21	11.40	-64.97
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CCC(C)C4=CC=CC=C43)CN21	REAL300005260883	1	52	0.0	-67.06	389.48	11.29	-55.77
CC(C(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)N1CC[NH+](C)CC1	REAL300005260944	1	55	0.0	-73.81	394.56	8.31	-65.50
CC1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)(C(=O)[O-])C2=CC=CC=C21	REAL300005260973	0	50	0.0	-57.29	353.22	9.72	-47.57
CC1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)(C(=O)[O-])C2=CC=CC=C21	REAL300005260973	1	50	0.0	-63.73	363.51	10.11	-53.62
CC1CCC(NC(=O)C2CC[NH+](C)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261031	0	50	0.0	-78.60	365.65	10.15	-68.45
CC1CCC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261058	0	45	0.0	-74.69	351.67	12.04	-62.65
CC1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261084	0	59	0.0	-73.03	390.37	11.41	-61.62
CC1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261088	0	59	0.0	-68.05	419.65	12.11	-55.94
CC1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261088	1	59	0.0	-67.25	419.68	12.08	-55.17
CC1CCC(NC(=O)C2CCC[N@@H+]2C)(C(=O)[O-])C2=CC=CC=C21	REAL300005261101	0	47	0.0	-56.52	338.24	8.88	-47.64
CC1CCC(NC(=O)C2CCC[N@H+]2C)(C(=O)[O-])C2=CC=CC=C21	REAL300005261101	1	47	0.0	-66.90	340.99	8.99	-57.91
CC1CCC(NC(=O)C2CC[NH+](C)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261146	0	50	0.0	-78.60	365.65	10.15	-68.45
CC1=[NH+]C=CN1CCCC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300005261187	1	51	0.0	-72.26	392.45	11.44	-60.82
CC1CCC(NC(=O)CCCC[NH+]2CCOCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261188	1	57	0.0	-79.19	419.75	10.12	-69.07
C[C@@H](C(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[NH+](C)C	REAL300005261192	0	46	0.0	-59.71	339.50	8.93	-50.78
CC1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)(C(=O)[O-])C2=CC=CC=C21	REAL300005261193	0	47	0.0	-57.62	346.97	9.43	-48.19
CC1CCC(NC(=O)[C@H]2CCC[N@H+]2C)(C(=O)[O-])C2=CC=CC=C21	REAL300005261193	1	47	0.0	-65.13	341.29	8.96	-56.17
C[C@H](C(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[NH+](C)C	REAL300005261196	0	46	0.0	-62.86	338.74	8.96	-53.90
CC1CCC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261227	0	57	0.0	-67.55	426.11	12.93	-54.62
CC1CCC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261227	1	57	0.0	-71.40	426.44	13.01	-58.39
CCC(C(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[NH+](CC)CC	REAL300005261250	0	55	0.0	-54.99	386.66	10.70	-44.29
CC(C(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[N@H+](C)CC1=CC=CC=C1	REAL300005261252	0	56	0.0	-65.49	416.47	12.54	-52.95
CC(C(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[N@@H+](C)CC1=CC=CC=C1	REAL300005261252	1	56	0.0	-60.47	415.71	12.52	-47.95
CC1CCC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261271	0	52	0.0	-84.43	395.30	10.54	-73.89
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300005261274	0	61	0.0	-73.99	439.74	12.46	-61.53
CC1CCC(NC(=O)C2C[N@H+](C)CCO2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261276	1	48	0.0	-77.29	358.56	8.62	-68.67
CC1CCC(NC(=O)C2C[N@@H+](C)CCO2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261276	1	48	0.0	-74.72	358.95	8.59	-66.13
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300005261284	1	51	0.0	-60.65	386.68	11.21	-49.44
CC1CCC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261296	0	57	0.0	-89.58	424.43	13.19	-76.39
CC1CCC(NC(=O)C2(C[NH+](C)C)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261302	0	50	0.0	-58.82	367.71	10.19	-48.63
CC1CCC(NC(=O)CCCC[NH+](C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300005261307	0	52	0.0	-79.04	386.94	10.66	-68.38
CC1=C(C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=NN1C1=CC=[NH+]C=C1	REAL300005261324	1	51	0.0	-85.29	396.97	10.41	-74.88
CC1CCC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261334	1	53	0.0	-83.91	404.90	10.64	-73.27
CC1CCC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261335	0	56	0.0	-92.74	422.24	12.89	-79.85
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300005261340	1	49	0.0	-59.92	370.61	9.51	-50.41
CCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300005261347	0	49	0.0	-61.64	360.69	9.87	-51.77
CCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300005261347	1	49	0.0	-61.47	360.70	9.87	-51.60
CC1CCC(NC(=O)C[N@H+](C)C2CCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261361	0	50	0.0	-58.97	367.70	10.44	-48.53
CC1CCC(NC(=O)C[N@@H+](C)C2CCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261361	1	50	0.0	-59.90	367.55	10.43	-49.47
CC1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300005261384	0	55	0.0	-61.78	391.53	11.04	-50.74
CC1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300005261384	1	55	0.0	-59.09	391.48	11.00	-48.09
CC1CCC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261386	0	56	0.0	-63.86	420.60	12.88	-50.98
CC1CCC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261386	1	56	0.0	-64.11	420.60	12.89	-51.22
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300005261387	0	60	0.0	-66.86	449.27	9.16	-57.70
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300005261387	1	60	0.0	-70.34	449.81	9.16	-61.18
CC[C@@H](C(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[NH+](C)C	REAL300005261390	0	49	0.0	-57.01	351.95	9.39	-47.62
CC1CCC(NC(=O)CC2(O)CCC[N@H+](C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261392	0	54	0.0	-70.03	379.02	8.35	-61.68
CC1CCC(NC(=O)CC2(O)CCC[N@@H+](C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261392	1	54	0.0	-67.39	382.07	8.26	-59.13
CCCCCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300005261403	0	58	0.0	-62.80	425.32	12.22	-50.58
CCCCCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300005261403	1	58	0.0	-62.48	425.19	12.21	-50.27
CC1CCC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261418	1	45	0.0	-82.43	351.94	12.05	-70.38
CC1CCC(NC(=O)C[N@H+](C)C2CCSC2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261426	0	51	0.0	-67.36	380.93	10.68	-56.68
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CC1=C(C(=O)NC(C(=O)[O-])C2(C)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300005265344	1	41	0.0	-80.82	339.35	6.80	-74.02
CC1(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])CC1	REAL300005265347	0	50	0.0	-82.93	377.59	10.58	-72.35
CC1(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])CC1	REAL300005265357	1	43	0.0	-76.71	348.56	7.11	-69.60
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300005265358	0	46	0.0	-86.16	358.52	9.57	-76.59
CC1(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])CC1	REAL300005265361	1	48	0.0	-57.40	364.84	9.08	-48.32
CC1(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])CC1	REAL300005265361	1	48	0.0	-69.48	372.01	9.25	-60.23
CC(C(=O)NC(C(=O)[O-])C1(C)CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005265369	0	56	0.0	-61.99	418.23	11.71	-50.28
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300005265395	0	46	0.0	-64.14	359.17	9.67	-54.47
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300005265395	1	46	0.0	-61.58	364.29	9.46	-52.12
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300005265396	0	50	0.0	-67.49	388.19	5.85	-61.64
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300005265396	1	50	0.0	-70.72	388.21	5.86	-64.86
CC1(C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300005265402	0	55	0.0	-75.06	414.33	9.37	-65.69
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300005265426	0	51	0.0	-69.53	380.51	6.19	-63.34
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300005265426	1	51	0.0	-67.08	371.88	6.20	-60.88
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300005265427	0	54	0.0	-71.90	402.06	6.94	-64.96
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300005265427	1	54	0.0	-70.32	391.55	7.02	-63.30
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C(=O)[O-])C3(C)CC3)CC2)=C1	REAL300005265431	0	55	0.0	-69.92	412.09	9.22	-60.70
CC1(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300005265432	0	52	0.0	-71.06	392.83	8.57	-62.49
CC1(C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])CC1	REAL300005265435	0	49	0.0	-69.30	369.86	8.87	-60.43
CC1(C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])CC1	REAL300005265435	1	49	0.0	-61.77	370.74	8.57	-53.20
CC(C(=O)NC(C(=O)[O-])C1(C)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005265439	1	47	0.0	-61.56	355.04	9.80	-51.76
CC(C(=O)NC(C(=O)[O-])C1(C)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005265439	1	47	0.0	-60.63	358.63	9.48	-51.15
CC1(C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300005265455	0	50	0.0	-71.82	385.25	10.22	-61.60
CC1(C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300005265455	1	50	0.0	-75.05	383.45	10.44	-64.61
CC1(C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C(=O)[O-])CC1	REAL300005265472	0	50	0.0	-69.69	381.34	10.71	-58.98
CC1(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C(=O)[O-])CC1	REAL300005265472	1	50	0.0	-62.87	383.99	10.32	-52.55
CC1(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(=O)[O-])CC1	REAL300005265474	0	51	0.0	-70.28	388.44	7.96	-62.32
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300005265494	1	50	0.0	-78.23	381.86	8.80	-69.43
CC1(C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])CC1	REAL300005265495	0	50	0.0	-66.02	367.69	8.90	-57.12
CC1(C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])CC1	REAL300005265495	1	50	0.0	-62.02	370.84	8.97	-53.05
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C(=O)[O-])C3(C)CC3)=C2)CC1	REAL300005265511	0	52	0.0	-73.97	396.86	8.16	-65.81
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300005265512	0	52	0.0	-81.33	396.79	8.17	-73.16
CN1CC[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300005265512	1	52	0.0	-84.58	396.26	8.04	-76.54
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300005265513	0	53	0.0	-82.11	401.02	9.85	-72.26
CC1(C(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C(=O)[O-])CC1	REAL300005265563	0	54	0.0	-86.16	411.42	7.90	-78.26
CC1(C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300005265565	0	50	0.0	-61.42	380.03	10.40	-51.02
CC1(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300005265565	1	50	0.0	-62.43	372.72	10.62	-51.81
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C1N2	REAL300005265643	1	48	0.0	-83.55	370.82	9.16	-74.39
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C1N2	REAL300005265643	1	48	0.0	-83.32	375.88	8.76	-74.56
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2(C)CC2)O1	REAL300005265681	0	46	0.0	-74.34	365.14	8.17	-66.17
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3(C)CC3)CC2)[NH+]=C1	REAL300005265683	1	49	0.0	-72.12	379.27	8.04	-64.08
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300005265686	0	55	0.0	-84.39	411.37	8.84	-75.55
CC1(C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])CC1	REAL300005265693	1	38	0.0	-78.93	324.54	6.40	-72.53
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1(C)CC1	REAL300005265717	0	50	0.0	-69.81	379.91	10.30	-59.51
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1(C)CC1	REAL300005265717	1	50	0.0	-75.41	389.95	10.09	-65.32
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300005265732	0	51	0.0	-82.73	407.53	9.51	-73.22
CC1(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])CC1	REAL300005265744	0	47	0.0	-76.79	370.31	8.56	-68.23
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2(C)CC2)C(C(F)(F)F)C1	REAL300005265978	0	40	0.0	-76.24	321.24	7.05	-69.19
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2(C)CC2)C(C(F)(F)F)C1	REAL300005265978	1	40	0.0	-74.16	314.46	7.13	-67.03
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300005266254	0	46	0.0	-80.27	358.53	9.55	-70.72
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300005266257	0	47	0.0	-83.46	365.83	8.50	-74.96
CC1(C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300005266315	0	53	0.0	-73.99	399.78	11.18	-62.81
CC1C[N@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CCO1	REAL300005266317	1	51	0.0	-84.71	388.23	8.52	-76.19
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CCO1	REAL300005266317	1	51	0.0	-83.88	387.59	8.73	-75.15
COC[C@H]1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C[C@H]1COC	REAL300005266441	0	51	0.0	-46.91	381.02	5.93	-40.98
COC[C@H]1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C[C@H]1COC	REAL300005266441	1	51	0.0	-47.69	382.19	5.96	-41.73
C[C@H](C[NH+](C)C)NC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300005266483	0	48	0.0	-86.74	396.31	5.33	-81.41
C[C@H](C[NH+](C)C)NC(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1	REAL300005266484	0	47	0.0	-87.37	388.13	9.72	-77.65
CC(SC1=CC=CC=C1C(=O)N[C@H](C)C[NH+](C)C)C(=O)[O-]	REAL300005266485	0	43	0.0	-82.93	344.46	8.44	-74.49
CCOC1=CC(C(=O)N[C@H](C)C[NH+](C)C)=CC=C1OCC(=O)[O-]	REAL300005266486	0	47	0.0	-81.59	373.79	7.64	-73.95
C[C@H](C[NH+](C)C)NC(=O)C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005266487	0	54	0.0	-87.21	429.92	6.53	-80.68
C[C@H](C[NH+](C)C)NC(=O)C1CCN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC1	REAL300005266488	0	54	0.0	-100.82	422.07	7.84	-92.98
C[C@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005266489	0	44	0.0	-76.42	370.58	3.07	-73.35
CC1=NN(C2=CC=C(C(=O)N[C@H](C)C[NH+](C)C)C=C2)C(C)=C1CCC(=O)[O-]	REAL300005266490	0	55	0.0	-81.24	430.75	10.32	-70.92
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N[C@H](C)C[NH+](C)C)C=C1	REAL300005266491	0	46	0.0	-83.00	366.72	8.24	-74.76
C[C@H](C[NH+](C)C)NC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300005266492	0	46	0.0	-75.81	378.35	8.39	-67.42
C[C@H](C[NH+](C)C)NC(=O)C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300005266493	0	51	0.0	-87.13	414.22	4.92	-82.21
C[C@H](C[NH+](C)C)NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005266494	0	43	0.0	-72.50	349.86	7.74	-64.76
CC1=CC(C(=O)N[C@H](C)C[NH+](C)C)=CC(C)=C1OCC(=O)[O-]	REAL300005266495	0	46	0.0	-78.89	364.50	8.42	-70.47
C[C@H](C[NH+](C)C)NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300005266496	0	36	0.0	-78.36	313.13	7.30	-71.06
C[C@H](C[NH+](C)C)NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300005266497	0	46	0.0	-74.90	357.81	10.03	-64.87
C[C@H](C[NH+](C)C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005266498	0	43	0.0	-83.89	343.86	7.39	-76.50
C[C@H](C[NH+](C)C)NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005266499	0	49	0.0	-73.61	370.08	9.57	-64.04
C[C@H](C[NH+](C)C)NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005266500	0	45	0.0	-79.26	360.02	7.25	-72.01
C[C@H](C[NH+](C)C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005266501	0	43	0.0	-83.89	343.86	7.39	-76.50
C[C@H](C[NH+](C)C)NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300005266502	0	43	0.0	-93.63	349.87	8.81	-84.82
C[C@H](C[NH+](C)C)NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005266503	0	36	0.0	-77.18	321.27	7.25	-69.93
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@H](C)C[NH+](C)C)=C1	REAL300005266504	0	40	0.0	-78.51	329.56	6.39	-72.12
C[C@H](C[NH+](C)C)NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300005266505	0	39	0.0	-83.17	326.89	7.95	-75.22
C[C@H](C[NH+](C)C)NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300005266506	0	42	0.0	-84.71	327.04	8.69	-76.02
C[C@H](C[NH+](C)C)NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300005266507	0	43	0.0	-66.53	340.85	8.23	-58.30
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005267551	0	59	0.0	-76.57	441.55	10.34	-66.23
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300005268839	0	53	0.0	-71.75	389.72	8.02	-63.73
CC1=[NH+]C=C2CCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CN21	REAL300005268865	1	51	0.0	-62.95	387.94	7.89	-55.06
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC2)=CS1	REAL300005268927	1	58	0.0	-71.13	448.34	8.40	-62.73
CC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)N1CC[NH+](C)CC1	REAL300005268928	1	54	0.0	-71.52	393.03	5.07	-66.45
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[O-]	REAL300005268962	1	49	0.0	-57.27	352.51	6.64	-50.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[O-]	REAL300005268962	1	49	0.0	-54.89	361.81	6.74	-48.15
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005269000	0	62	0.0	-80.73	474.35	9.91	-70.82
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300005269033	0	49	0.0	-75.43	364.83	6.83	-68.60
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300005269056	0	44	0.0	-71.64	350.93	8.61	-63.03
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300005269085	0	58	0.0	-76.16	395.53	9.49	-66.67
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005269089	0	58	0.0	-67.39	419.37	8.71	-58.68
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005269089	1	58	0.0	-65.59	418.69	8.76	-56.83
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300005269145	0	49	0.0	-75.43	364.83	6.83	-68.60
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005269148	0	52	0.0	-82.45	408.87	7.79	-74.66
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005269162	0	60	0.0	-76.92	431.94	7.42	-69.50
CC1=[NH+]C=CN1CCCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269189	1	50	0.0	-67.89	391.24	8.08	-59.81
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300005269190	1	56	0.0	-74.72	418.54	6.77	-67.95
CC[N@H+](CC1=CC=C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C=C1)C(C)C	REAL300005269191	0	61	0.0	-82.82	437.95	9.94	-72.88
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C=C1)C(C)C	REAL300005269191	1	61	0.0	-81.00	437.89	9.82	-71.18
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005269216	0	56	0.0	-66.83	425.04	9.58	-57.25
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005269216	1	56	0.0	-68.29	425.76	9.61	-58.68
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005269217	0	57	0.0	-78.18	420.05	8.81	-69.37
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005269245	0	60	0.0	-67.11	414.82	6.97	-60.14
CCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+](CC)CC	REAL300005269249	0	54	0.0	-52.04	385.32	7.48	-44.56
CC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300005269251	0	55	0.0	-62.41	415.76	9.09	-53.32
CC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300005269251	1	55	0.0	-58.59	415.58	9.13	-49.46
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005269259	0	62	0.0	-57.04	456.94	11.39	-45.65
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005269259	1	62	0.0	-62.69	458.36	11.36	-51.33
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300005269272	0	51	0.0	-80.09	394.14	7.17	-72.92
CCC[NH+](CCC)CCCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269278	0	60	0.0	-68.92	438.57	9.07	-59.85
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300005269280	1	47	0.0	-50.78	350.50	5.45	-45.33
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300005269280	1	47	0.0	-71.59	357.69	5.61	-65.98
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269287	1	50	0.0	-58.64	386.42	7.85	-50.79
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005269301	0	56	0.0	-84.40	423.42	9.75	-74.65
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005269306	0	59	0.0	-76.60	440.02	10.51	-66.09
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC2)CC1	REAL300005269311	0	67	0.0	-74.67	474.22	7.90	-66.77
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(=O)[O-]	REAL300005269313	0	49	0.0	-74.32	364.86	6.76	-67.56
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCCC[NH+](C)C)C(=O)[O-]	REAL300005269322	0	51	0.0	-74.02	385.64	7.30	-66.72
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005269331	1	60	0.0	-79.12	447.85	9.64	-69.48
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005269331	1	60	0.0	-79.34	454.65	9.68	-69.66
CC1=C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300005269343	1	50	0.0	-81.68	396.05	7.05	-74.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005269346	0	59	0.0	-84.48	440.17	10.44	-74.04
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300005269357	1	52	0.0	-79.64	404.82	7.33	-72.31
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005269358	0	55	0.0	-88.45	421.10	9.44	-79.01
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269364	1	48	0.0	-58.63	369.57	6.23	-52.40
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005269365	1	57	0.0	-57.34	427.43	8.95	-48.39
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005269365	1	57	0.0	-68.50	434.91	9.12	-59.38
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[N@H+](C)C1CCC1)C(=O)[O-]	REAL300005269384	0	49	0.0	-56.18	366.40	7.15	-49.03
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C(=O)[O-]	REAL300005269384	1	49	0.0	-57.04	366.44	7.14	-49.90
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300005269413	0	54	0.0	-58.81	389.69	7.71	-51.10
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300005269413	1	54	0.0	-58.05	387.79	7.60	-50.45
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005269415	0	55	0.0	-61.49	419.36	9.60	-51.89
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005269415	1	55	0.0	-61.40	419.41	9.61	-51.79
COCCOCC[N@H+](C)CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269416	0	59	0.0	-66.59	448.23	5.78	-60.81
COCCOCC[N@@H+](C)CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269416	1	59	0.0	-69.67	448.66	5.72	-63.95
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300005269419	0	53	0.0	-65.54	391.11	5.48	-60.06
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005269419	1	53	0.0	-66.10	381.51	5.27	-60.83
CCCCCC[N@H+](C)CC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269430	0	57	0.0	-59.64	424.00	8.93	-50.71
CCCCCC[N@@H+](C)CC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269430	1	57	0.0	-59.70	424.00	8.93	-50.77
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300005269444	1	44	0.0	-77.79	350.75	8.68	-69.11
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300005269459	0	50	0.0	-61.68	379.73	7.36	-54.32
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300005269459	1	50	0.0	-65.52	379.96	7.33	-58.19
CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300005269472	0	60	0.0	-73.31	435.82	6.28	-67.03
CC(C)N1CC[NH+](CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300005269472	1	60	0.0	-66.00	432.62	6.07	-59.93
CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300005269473	0	63	0.0	-71.47	457.32	7.07	-64.40
CC(C)N1CC[NH+](CCCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300005269473	1	63	0.0	-70.06	453.48	6.92	-63.14
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300005269474	0	53	0.0	-54.56	384.66	7.98	-46.58
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300005269474	1	53	0.0	-59.42	373.87	7.75	-51.67
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300005269476	0	52	0.0	-82.70	404.78	6.59	-76.11
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005269480	0	61	0.0	-68.80	453.11	8.49	-60.31
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005269482	0	58	0.0	-68.09	430.60	8.74	-59.35
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005269482	1	58	0.0	-64.13	430.19	8.64	-55.49
CC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005269487	1	56	0.0	-58.82	415.46	9.74	-49.08
CC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005269487	1	56	0.0	-60.09	417.83	9.56	-50.53
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005269507	0	59	0.0	-75.07	445.80	10.34	-64.73
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005269507	1	59	0.0	-74.26	446.43	10.37	-63.89
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005269520	0	52	0.0	-89.60	405.15	6.61	-82.99
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300005269521	0	52	0.0	-61.24	399.62	6.70	-54.54
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[O-]	REAL300005269522	0	49	0.0	-68.73	355.25	6.09	-62.64
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[O-]	REAL300005269522	1	49	0.0	-67.66	362.25	6.34	-61.32
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269523	1	53	0.0	-61.93	406.27	8.37	-53.56
CC[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC[N@@H+]1C	REAL300005269526	0	52	0.0	-68.28	377.91	6.80	-61.48
CC[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC[N@H+]1C	REAL300005269526	1	52	0.0	-67.12	382.98	7.15	-59.97
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1C[N@H+](C)CC(C)O1)C(=O)[O-]	REAL300005269536	1	50	0.0	-80.42	379.35	6.29	-74.13
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)[O-]	REAL300005269536	1	50	0.0	-71.12	372.59	6.27	-64.85
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005269540	0	59	0.0	-67.95	442.08	10.56	-57.39
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005269540	1	59	0.0	-63.23	441.74	10.54	-52.69
CC(C[NH+]1CCOCC1)C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269545	0	53	0.0	-66.28	391.74	5.90	-60.38
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005269546	0	60	0.0	-70.23	451.53	7.87	-62.36
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300005269556	0	52	0.0	-59.81	384.00	7.61	-52.20
CC[N@@H+]1CCOC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300005269569	1	50	0.0	-76.38	375.42	6.25	-70.13
CC[N@H+]1CCOC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300005269569	1	50	0.0	-69.67	375.92	6.20	-63.47
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300005269600	1	59	0.0	-76.71	442.01	8.70	-68.01
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005269601	0	59	0.0	-66.61	426.23	9.02	-57.59
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005269601	1	59	0.0	-67.08	425.61	9.02	-58.06
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300005269608	0	52	0.0	-67.59	381.47	7.21	-60.38
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCC1CCC[N@H+]1C)C(=O)[O-]	REAL300005269608	1	52	0.0	-68.72	387.86	7.59	-61.13
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300005269619	0	53	0.0	-56.04	381.80	7.59	-48.45
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300005269619	1	53	0.0	-59.33	380.99	7.66	-51.67
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300005269632	0	61	0.0	-73.69	457.14	8.08	-65.61
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300005269633	0	61	0.0	-84.21	457.53	8.02	-76.19
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300005269633	1	61	0.0	-84.57	456.45	7.95	-76.62
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C=C1	REAL300005269635	0	62	0.0	-81.88	463.26	9.78	-72.10
CC(C)[NH+]1CCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300005269643	0	55	0.0	-72.49	399.39	7.93	-64.56
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300005269716	0	50	0.0	-71.64	361.89	6.38	-65.26
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300005269716	1	50	0.0	-69.34	361.97	6.37	-62.97
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[NH+]1C(C)CCC1C)C(=O)[O-]	REAL300005269756	0	52	0.0	-56.80	376.70	7.03	-49.77
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300005269757	0	52	0.0	-78.25	398.46	8.65	-69.60
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005269758	0	59	0.0	-62.11	435.35	10.48	-51.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005269758	1	59	0.0	-62.81	435.82	10.49	-52.32
C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300005269810	0	51	0.0	-74.52	389.54	7.96	-66.56
CC[NH+]1CCN(CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300005269812	0	57	0.0	-75.04	418.57	5.71	-69.33
CCN1CC[NH+](CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300005269812	1	57	0.0	-66.10	419.38	5.75	-60.35
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269819	1	53	0.0	-61.14	405.72	8.31	-52.83
CC[N@H+](CC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1CC1	REAL300005269825	0	49	0.0	-57.40	369.88	7.17	-50.23
CC[N@@H+](CC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1CC1	REAL300005269825	1	49	0.0	-56.70	366.25	7.13	-49.57
CC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+]1CCCCCC1	REAL300005269851	0	55	0.0	-54.69	389.36	7.64	-47.05
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005269886	1	57	0.0	-84.81	433.41	9.03	-75.78
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005269886	1	57	0.0	-84.17	433.62	8.99	-75.18
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)O1	REAL300005269927	0	55	0.0	-77.24	420.01	8.36	-68.88
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300005269928	0	55	0.0	-72.18	411.65	8.47	-63.71
CC1=CC=C(N2CCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC2)[NH+]=C1	REAL300005269930	1	58	0.0	-73.00	434.50	8.16	-64.84
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005269931	1	52	0.0	-62.81	397.48	8.71	-54.10
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005269931	1	52	0.0	-61.97	396.97	8.75	-53.22
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005269952	1	47	0.0	-79.31	379.61	6.60	-72.71
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300005269974	1	48	0.0	-82.33	378.84	6.08	-76.25
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005269978	0	59	0.0	-71.49	444.11	10.06	-61.43
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005269978	1	59	0.0	-70.45	441.47	10.17	-60.28
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269994	0	52	0.0	-58.30	379.33	7.23	-51.07
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300005269994	1	52	0.0	-58.01	379.25	7.27	-50.74
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005270002	0	60	0.0	-85.02	463.28	9.58	-75.44
C[C@H](OC(C)(C)C)[C@@H](NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300005270016	0	53	0.0	-79.80	400.41	7.20	-72.60
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005270021	0	56	0.0	-78.73	426.45	8.85	-69.88
CCC[N@@H+]1CCCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300005270168	0	55	0.0	-59.77	398.26	8.33	-51.44
CCC[N@H+]1CCCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300005270168	1	55	0.0	-64.94	403.93	8.17	-56.77
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300005270196	1	53	0.0	-63.75	393.88	4.27	-59.48
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300005270379	0	55	0.0	-65.31	399.19	7.96	-57.35
CC(C)[N@H+]1CCCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300005270379	1	55	0.0	-63.70	399.18	7.96	-55.74
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005270380	0	49	0.0	-69.41	373.92	6.72	-62.69
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005270380	1	49	0.0	-75.63	384.05	6.90	-68.73
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)N1	REAL300005270402	1	50	0.0	-62.41	391.00	6.40	-56.01
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300005270795	0	55	0.0	-81.51	421.41	9.43	-72.08
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005270803	0	56	0.0	-82.57	427.71	8.50	-74.07
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005270896	0	62	0.0	-73.03	460.46	11.05	-61.98
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005270898	1	60	0.0	-86.59	446.27	8.76	-77.83
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005270898	1	60	0.0	-85.86	445.88	8.82	-77.04
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300005270926	0	49	0.0	-66.26	369.86	6.89	-59.37
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300005270930	0	55	0.0	-57.53	392.76	7.77	-49.76
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=CN21	REAL300005270934	0	47	0.0	-66.96	371.80	8.44	-58.52
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300005270984	0	58	0.0	-60.43	415.40	9.00	-51.43
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300005270984	1	58	0.0	-57.56	412.76	8.98	-48.58
CC[N@@H+]1CCCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300005270985	0	52	0.0	-67.34	383.20	7.39	-59.95
CC[N@H+]1CCCC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300005270985	1	52	0.0	-55.76	375.74	7.63	-48.13
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300005270990	0	49	0.0	-66.80	364.90	6.77	-60.03
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005270990	1	49	0.0	-69.11	364.78	6.76	-62.35
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300005270992	1	49	0.0	-80.49	383.80	6.88	-73.61
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300005271000	1	51	0.0	-67.18	372.72	7.75	-59.43
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300005271000	1	51	0.0	-64.75	369.38	8.02	-56.73
CN1N=CC=C1[C@@H]1OCC[C@H]1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005271082	0	51	0.0	-54.68	387.59	6.10	-48.58
CN1N=CC=C1[C@@H]1OCC[C@H]1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005271082	1	51	0.0	-54.22	390.53	6.22	-48.00
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NN(C3=C(F)C=CC=C3F)C=C2)C1	REAL300005271210	0	47	0.0	-53.27	383.36	8.65	-44.62
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NN(C3=C(F)C=CC=C3F)C=C2)C1	REAL300005271210	1	47	0.0	-50.71	377.17	8.63	-42.08
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005271256	0	46	0.0	-70.16	344.00	8.65	-61.51
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005271256	1	46	0.0	-76.42	347.59	9.56	-66.86
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300005271257	0	50	0.0	-74.84	375.09	8.93	-65.91
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300005271257	1	50	0.0	-84.10	378.68	9.83	-74.27
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300005271258	0	46	0.0	-77.32	344.01	8.65	-68.67
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300005271258	1	46	0.0	-87.57	347.60	9.55	-78.02
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])S1	REAL300005271259	0	43	0.0	-63.48	338.31	7.81	-55.67
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])S1	REAL300005271259	1	43	0.0	-67.55	345.57	8.00	-59.55
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300005271260	0	45	0.0	-58.89	342.48	6.73	-52.16
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300005271260	1	45	0.0	-62.58	345.78	7.83	-54.75
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300005271261	0	53	0.0	-72.47	396.75	10.42	-62.05
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300005271261	1	53	0.0	-82.62	402.30	11.39	-71.23
CCOC1=CC(C(=O)NC(C)CC2CCCC[N@@H+]2C)=CC=C1OCC(=O)[O-]	REAL300005271262	0	57	0.0	-75.61	426.08	9.61	-66.00
CCOC1=CC(C(=O)NC(C)CC2CCCC[N@H+]2C)=CC=C1OCC(=O)[O-]	REAL300005271262	1	57	0.0	-81.45	429.66	10.52	-70.93
CC(CC1CCCC[N@@H+]1C)NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005271263	0	52	0.0	-80.64	390.44	9.94	-70.70
CC(CC1CCCC[N@H+]1C)NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005271263	1	52	0.0	-79.70	393.66	11.05	-68.65
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300005271264	0	45	0.0	-80.11	340.10	6.88	-73.23
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300005271264	1	45	0.0	-89.66	343.68	7.79	-81.87
CC(CC1CCCC[N@@H+]1C)NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005271265	0	50	0.0	-74.37	378.53	9.84	-64.53
CC(CC1CCCC[N@H+]1C)NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005271265	1	50	0.0	-80.01	382.10	10.75	-69.26
CC(CC1CCCC[N@@H+]1C)NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005271266	0	54	0.0	-74.74	422.73	5.03	-69.71
CC(CC1CCCC[N@H+]1C)NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005271266	1	54	0.0	-79.00	426.32	5.94	-73.06
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005271267	0	48	0.0	-60.66	372.54	9.14	-51.52
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005271267	1	48	0.0	-77.76	375.76	10.21	-67.55
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005271268	0	48	0.0	-60.66	372.54	9.14	-51.52
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005271268	1	48	0.0	-77.76	375.76	10.21	-67.55
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC(C)CC2CCCC[N@@H+]2C)C=C1	REAL300005271269	0	56	0.0	-76.69	419.00	10.22	-66.47
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC(C)CC2CCCC[N@H+]2C)C=C1	REAL300005271269	1	56	0.0	-82.06	422.57	11.11	-70.95
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005271270	0	53	0.0	-71.24	401.85	9.67	-61.57
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005271270	1	53	0.0	-76.51	405.70	10.57	-65.94
CC(CC1CCCC[N@@H+]1C)NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005271271	0	52	0.0	-69.66	381.66	9.71	-59.95
CC(CC1CCCC[N@H+]1C)NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005271271	1	52	0.0	-75.66	385.28	10.79	-64.87
CC1=CC(C(=O)NC(C)CC2CCCC[N@@H+]2C)=CC(C)=C1OCC(=O)[O-]	REAL300005271272	0	56	0.0	-79.73	417.15	10.20	-69.53
CC1=CC(C(=O)NC(C)CC2CCCC[N@H+]2C)=CC(C)=C1OCC(=O)[O-]	REAL300005271272	1	56	0.0	-79.67	419.45	10.30	-69.37
CC(CC1CCCC[N@@H+]1C)NC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300005271273	0	49	0.0	-84.72	369.05	9.12	-75.60
CC(CC1CCCC[N@H+]1C)NC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300005271273	1	49	0.0	-85.41	375.60	9.48	-75.93
CC(CC1CCCC[N@@H+]1C)NC(=O)C1CCCC(C(=O)[O-])C1	REAL300005271274	0	52	0.0	-85.28	369.17	8.66	-76.62
CC(CC1CCCC[N@H+]1C)NC(=O)C1CCCC(C(=O)[O-])C1	REAL300005271274	1	52	0.0	-85.08	366.66	9.62	-75.46
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300005271275	0	45	0.0	-70.46	339.87	6.86	-63.60
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300005271275	1	45	0.0	-75.89	343.47	7.78	-68.11
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005271276	0	45	0.0	-60.79	341.42	6.93	-53.86
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005271276	1	45	0.0	-66.47	345.00	7.83	-58.64
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300005271277	0	46	0.0	-69.88	348.53	8.72	-61.16
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300005271277	1	46	0.0	-77.07	352.12	9.63	-67.44
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300005271278	0	44	0.0	-68.17	337.36	4.86	-63.31
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300005271278	1	44	0.0	-67.72	344.26	5.24	-62.48
CC(CC1CCCC[N@@H+]1C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300005271279	0	52	0.0	-69.11	368.82	8.86	-60.25
CC(CC1CCCC[N@H+]1C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300005271279	1	52	0.0	-69.88	370.12	8.89	-60.99
CC(CC1CCCC[N@@H+]1C)NC(=O)C1CCC(C(=O)[O-])CC1	REAL300005271280	0	52	0.0	-76.22	363.59	8.74	-67.48
CC(CC1CCCC[N@H+]1C)NC(=O)C1CCC(C(=O)[O-])CC1	REAL300005271280	1	52	0.0	-75.54	370.04	9.63	-65.91
CC(CC1CCCC[N@@H+]1C)NC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300005271281	0	49	0.0	-79.99	368.67	9.32	-70.67
CC(CC1CCCC[N@H+]1C)NC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300005271281	1	49	0.0	-87.48	372.26	10.24	-77.24
CC(CC1CCCC[N@@H+]1C)NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300005271282	0	45	0.0	-80.71	345.85	5.30	-75.41
CC(CC1CCCC[N@H+]1C)NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300005271282	1	45	0.0	-91.92	346.18	5.12	-86.80
CC1=NC(C(=O)NC(C)CC2CCCC[N@@H+]2C)=CC=C1C(=O)[O-]	REAL300005271283	0	48	0.0	-65.48	357.79	7.27	-58.21
CC1=NC(C(=O)NC(C)CC2CCCC[N@H+]2C)=CC=C1C(=O)[O-]	REAL300005271283	1	48	0.0	-66.88	361.32	8.35	-58.53
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300005271284	0	46	0.0	-81.14	365.66	9.07	-72.07
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300005271284	1	46	0.0	-79.77	368.88	10.15	-69.62
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005271285	0	46	0.0	-70.16	344.00	8.65	-61.51
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005271285	1	46	0.0	-76.42	347.59	9.56	-66.86
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005271286	0	49	0.0	-69.02	366.20	9.41	-59.61
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005271286	1	49	0.0	-80.19	369.78	10.32	-69.87
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300005271287	0	56	0.0	-51.98	409.99	12.04	-39.94
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300005271287	1	56	0.0	-73.12	413.64	12.93	-60.19
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300005271288	0	46	0.0	-63.81	346.45	7.56	-56.25
CC(CC1CCCC[N@H+]1C)NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300005271288	1	46	0.0	-79.10	350.05	8.48	-70.62
CC1=COC(CC(=O)[O-])=C1C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300005271289	0	49	0.0	-62.64	373.67	8.00	-54.64
CC1=COC(CC(=O)[O-])=C1C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300005271289	1	49	0.0	-61.94	380.59	8.37	-53.57
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300005271290	0	45	0.0	-75.52	341.98	6.75	-68.77
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300005271290	1	45	0.0	-75.10	348.87	7.13	-67.97
CC(CC1CCCC[N@@H+]1C)NC(=O)CC1CCC(C(=O)[O-])CC1	REAL300005271291	0	55	0.0	-67.87	382.14	9.17	-58.70
CC(CC1CCCC[N@H+]1C)NC(=O)CC1CCC(C(=O)[O-])CC1	REAL300005271291	1	55	0.0	-81.76	392.40	10.49	-71.27
CC(CC1CCCC[N@@H+]1C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300005271292	0	53	0.0	-86.74	378.22	8.83	-77.91
CC(CC1CCCC[N@H+]1C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300005271292	1	53	0.0	-87.02	384.92	9.22	-77.80
CC(CC1CCCC[N@@H+]1C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005271293	0	56	0.0	-79.05	387.93	9.35	-69.70
CC(CC1CCCC[N@H+]1C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005271293	1	56	0.0	-78.27	394.99	9.74	-68.53
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005271294	0	48	0.0	-73.11	365.87	7.95	-65.16
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005271294	1	48	0.0	-76.66	369.46	8.87	-67.79
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005271295	0	53	0.0	-69.28	396.16	9.36	-59.92
CC(CC1CCCC[N@H+]1C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005271295	1	53	0.0	-85.05	399.75	10.26	-74.79
CC(CC1CCCC[N@@H+]1C)NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005271296	0	59	0.0	-65.49	422.90	11.53	-53.96
CC(CC1CCCC[N@H+]1C)NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005271296	1	59	0.0	-74.28	429.86	11.75	-62.53
CC1=C(C(=O)NC(C)CC2CCCC[N@@H+]2C)C=C(C(=O)[O-])O1	REAL300005271297	0	46	0.0	-63.57	347.14	7.79	-55.78
CC1=C(C(=O)NC(C)CC2CCCC[N@H+]2C)C=C(C(=O)[O-])O1	REAL300005271297	1	46	0.0	-68.50	350.72	8.71	-59.79
CC1=C(C(=O)[O-])OC(C(=O)NC(C)CC2CCCC[N@@H+]2C)=C1	REAL300005271298	0	46	0.0	-61.86	348.73	7.43	-54.43
CC1=C(C(=O)[O-])OC(C(=O)NC(C)CC2CCCC[N@H+]2C)=C1	REAL300005271298	1	46	0.0	-64.43	351.95	8.53	-55.90
CC(CC1CCCC[N@@H+]1C)NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300005271299	0	46	0.0	-76.30	350.73	6.79	-69.51
CC(CC1CCCC[N@H+]1C)NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300005271299	1	46	0.0	-86.81	357.52	6.96	-79.85
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300005271300	0	47	0.0	-63.57	363.57	8.23	-55.34
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300005271300	1	47	0.0	-66.99	367.15	9.14	-57.85
CC(CC1CCCC[N@@H+]1C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300005271301	0	53	0.0	-53.52	376.09	9.05	-44.47
CC(CC1CCCC[N@H+]1C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300005271301	1	53	0.0	-53.79	383.39	9.41	-44.38
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005271302	0	50	0.0	-69.92	375.01	8.94	-60.98
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005271302	1	50	0.0	-76.05	378.60	9.84	-66.21
CC(CC1CCCC[N@@H+]1C)NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005271303	0	55	0.0	-89.69	420.47	9.40	-80.29
CC(CC1CCCC[N@H+]1C)NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005271303	1	55	0.0	-82.38	414.63	10.08	-72.30
CC(CC1CCCC[N@@H+]1C)NC(=O)CCSCC(=O)[O-]	REAL300005271304	0	46	0.0	-74.24	354.21	7.64	-66.60
CC(CC1CCCC[N@H+]1C)NC(=O)CCSCC(=O)[O-]	REAL300005271304	1	46	0.0	-73.09	357.43	8.75	-64.34
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005271305	0	45	0.0	-60.79	341.42	6.93	-53.86
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005271305	1	45	0.0	-66.47	345.00	7.83	-58.64
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300005271306	0	46	0.0	-59.43	340.13	7.34	-52.09
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300005271306	1	46	0.0	-73.72	349.70	7.24	-66.48
CC(CC1CCCC[N@@H+]1C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300005271307	0	50	0.0	-86.37	366.60	7.95	-78.42
CC(CC1CCCC[N@H+]1C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300005271307	1	50	0.0	-77.25	366.35	8.15	-69.10
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300005271308	0	49	0.0	-65.06	366.19	9.42	-55.64
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300005271308	1	49	0.0	-73.04	369.78	10.33	-62.71
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005271309	0	50	0.0	-72.08	376.09	9.94	-62.14
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005271309	1	50	0.0	-77.60	379.67	10.85	-66.75
CC(CC1CCCC[N@@H+]1C)NC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300005271310	0	47	0.0	-76.67	366.67	9.02	-67.65
CC(CC1CCCC[N@H+]1C)NC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300005271310	1	47	0.0	-77.11	370.35	8.29	-68.82
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300005271311	0	52	0.0	-87.06	379.34	10.01	-77.05
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300005271311	1	52	0.0	-82.52	382.52	11.08	-71.44
CC(CC1CCCC[N@@H+]1C)NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300005271312	0	49	0.0	-72.54	376.80	4.38	-68.16
CC(CC1CCCC[N@H+]1C)NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300005271312	1	49	0.0	-84.21	380.36	5.29	-78.92
CC(CC1CCCC[N@@H+]1C)NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300005271313	0	47	0.0	-71.56	368.21	9.37	-62.19
CC(CC1CCCC[N@H+]1C)NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300005271313	1	47	0.0	-70.39	371.88	8.64	-61.75
CC1=CC=C(C(=O)NC(C)CC2CCCC[N@@H+]2C)C=C1C(=O)[O-]	REAL300005271314	0	49	0.0	-76.36	359.99	9.19	-67.17
CC1=CC=C(C(=O)NC(C)CC2CCCC[N@H+]2C)C=C1C(=O)[O-]	REAL300005271314	1	49	0.0	-87.21	363.78	10.10	-77.11
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300005271315	0	45	0.0	-80.43	339.54	6.65	-73.78
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300005271315	1	45	0.0	-78.99	342.76	7.77	-71.22
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300005271316	0	48	0.0	-58.51	355.46	7.51	-51.00
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300005271316	1	48	0.0	-62.33	359.28	8.42	-53.91
CC(CC1CCCC[N@@H+]1C)NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300005271317	0	46	0.0	-97.29	350.45	6.62	-90.67
CC(CC1CCCC[N@H+]1C)NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300005271317	1	46	0.0	-97.58	357.03	7.01	-90.57
CC(CC1CCCC[N@@H+]1C)NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005271318	0	52	0.0	-96.88	394.08	7.99	-88.89
CC(CC1CCCC[N@H+]1C)NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005271318	1	52	0.0	-96.45	397.29	9.10	-87.35
CC(CC1CCCC[N@@H+]1C)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005271319	0	53	0.0	-74.86	387.80	8.58	-66.28
CC(CC1CCCC[N@H+]1C)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005271319	1	53	0.0	-87.12	395.02	8.79	-78.33
CC(CC1CCCC[N@@H+]1C)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300005271320	0	53	0.0	-70.43	382.53	8.72	-61.71
CC(CC1CCCC[N@H+]1C)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300005271320	1	53	0.0	-75.00	393.01	7.66	-67.34
CC1=C(C(=O)NC(C)CC2CCCC[N@@H+]2C)OC(C(=O)[O-])=C1	REAL300005271321	0	46	0.0	-59.78	348.23	7.73	-52.05
CC1=C(C(=O)NC(C)CC2CCCC[N@H+]2C)OC(C(=O)[O-])=C1	REAL300005271321	1	46	0.0	-61.18	355.46	7.94	-53.24
CC(CC1CCCC[N@@H+]1C)NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300005271322	0	54	0.0	-51.19	364.44	10.94	-40.25
CC(CC1CCCC[N@H+]1C)NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300005271322	1	54	0.0	-40.72	372.95	9.75	-30.97
CC(CC1CCCC[N@@H+]1C)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300005271323	0	52	0.0	-58.92	357.37	9.40	-49.52
CC(CC1CCCC[N@H+]1C)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300005271323	1	52	0.0	-75.66	361.02	10.31	-65.35
CC(CC1CCCC[N@@H+]1C)NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300005271325	0	53	0.0	-56.68	386.05	10.64	-46.04
CC(CC1CCCC[N@H+]1C)NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300005271325	1	53	0.0	-57.67	395.10	11.43	-46.24
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005271326	0	53	0.0	-69.28	396.16	9.36	-59.92
CC(CC1CCCC[N@H+]1C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005271326	1	53	0.0	-85.05	399.75	10.26	-74.79
CC(CC1CCCC[N@@H+]1C)NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300005271327	0	53	0.0	-96.61	402.40	10.58	-86.03
CC(CC1CCCC[N@H+]1C)NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300005271327	1	53	0.0	-97.72	405.62	11.68	-86.04
CC(CC1CCCC[N@@H+]1C)NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300005271328	0	50	0.0	-64.39	365.41	8.79	-55.60
CC(CC1CCCC[N@H+]1C)NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300005271328	1	50	0.0	-70.91	370.03	9.89	-61.02
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300005271329	0	52	0.0	-86.14	381.77	10.00	-76.14
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300005271329	1	52	0.0	-87.08	375.40	9.58	-77.50
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300005271330	0	49	0.0	-59.82	360.05	9.32	-50.50
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300005271330	1	49	0.0	-63.59	363.85	10.24	-53.35
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=C(C(=O)[O-])SC=C1	REAL300005271331	0	43	0.0	-69.38	331.51	8.60	-60.78
CC(CC1CCCC[N@H+]1C)NC(=O)C1=C(C(=O)[O-])SC=C1	REAL300005271331	1	43	0.0	-84.62	335.20	9.50	-75.12
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300005271332	0	48	0.0	-69.11	349.68	7.42	-61.69
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300005271332	1	48	0.0	-78.02	356.07	7.59	-70.43
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300005271333	0	49	0.0	-70.80	360.04	9.32	-61.48
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300005271333	1	49	0.0	-76.27	363.84	10.23	-66.04
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300005271334	0	46	0.0	-68.80	356.49	9.16	-59.64
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300005271334	1	46	0.0	-75.31	360.08	10.05	-65.26
CC(CC1CCCC[N@@H+]1C)NC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300005271335	0	53	0.0	-75.55	381.21	10.77	-64.78
CC(CC1CCCC[N@H+]1C)NC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300005271335	1	53	0.0	-71.60	384.64	9.50	-62.10
COC1=CC(C(=O)[O-])=NC(C(=O)NC(C)CC2CCCC[N@@H+]2C)=C1	REAL300005271336	0	49	0.0	-57.51	372.23	6.06	-51.45
COC1=CC(C(=O)[O-])=NC(C(=O)NC(C)CC2CCCC[N@H+]2C)=C1	REAL300005271336	1	49	0.0	-56.99	379.12	6.43	-50.56
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300005271337	0	47	0.0	-69.24	346.51	7.85	-61.39
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300005271337	1	47	0.0	-68.27	350.61	8.23	-60.04
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300005271338	0	52	0.0	-68.83	387.59	10.23	-58.60
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300005271338	1	52	0.0	-75.33	391.18	11.13	-64.20
CC1=NNC(C(=O)NC(C)CC2CCCC[N@@H+]2C)=C1C(=O)[O-]	REAL300005271339	0	46	0.0	-68.22	339.56	6.47	-61.75
CC1=NNC(C(=O)NC(C)CC2CCCC[N@H+]2C)=C1C(=O)[O-]	REAL300005271339	1	46	0.0	-80.73	343.13	7.37	-73.36
CC(CC1CCCC[N@@H+]1C)NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300005271340	0	50	0.0	-89.11	378.10	8.94	-80.17
CC(CC1CCCC[N@H+]1C)NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300005271340	1	50	0.0	-77.27	381.27	10.02	-67.25
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CSC(C(=O)[O-])=N1	REAL300005271341	0	42	0.0	-56.09	333.68	5.79	-50.30
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CSC(C(=O)[O-])=N1	REAL300005271341	1	42	0.0	-60.61	337.26	6.71	-53.90
CC1=C(C(=O)NC(C)CC2CCCC[N@@H+]2C)C=C(C(=O)[O-])S1	REAL300005271342	0	46	0.0	-63.09	353.64	8.31	-54.78
CC1=C(C(=O)NC(C)CC2CCCC[N@H+]2C)C=C(C(=O)[O-])S1	REAL300005271342	1	46	0.0	-65.06	356.85	9.41	-55.65
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005271343	0	46	0.0	-71.13	373.82	9.23	-61.90
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005271343	1	46	0.0	-77.50	377.41	10.14	-67.36
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC(C)CC2CCCC[N@@H+]2C)=C1	REAL300005271344	0	50	0.0	-81.50	382.09	8.15	-73.35
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC(C)CC2CCCC[N@H+]2C)=C1	REAL300005271344	1	50	0.0	-81.09	388.99	8.52	-72.57
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300005271345	0	49	0.0	-64.96	372.06	9.04	-55.92
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300005271345	1	49	0.0	-67.33	368.10	9.76	-57.57
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300005271346	0	49	0.0	-75.23	379.18	9.92	-65.31
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300005271346	1	49	0.0	-86.42	382.76	10.84	-75.58
CC(CC1CCCC[N@@H+]1C)NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300005271347	0	51	0.0	-74.52	377.62	8.10	-66.42
CC(CC1CCCC[N@H+]1C)NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300005271347	1	51	0.0	-78.29	384.39	8.31	-69.98
CC(CC1CCCC[N@@H+]1C)NC(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300005271348	0	48	0.0	-70.17	357.68	7.12	-63.05
CC(CC1CCCC[N@H+]1C)NC(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300005271348	1	48	0.0	-70.22	357.88	7.14	-63.08
CC(CC1CCCC[N@@H+]1C)NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300005271349	0	50	0.0	-74.39	378.53	9.84	-64.55
CC(CC1CCCC[N@H+]1C)NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300005271349	1	50	0.0	-80.00	382.11	10.75	-69.25
CC(CC1CCCC[N@@H+]1C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300005271350	0	53	0.0	-53.52	376.09	9.05	-44.47
CC(CC1CCCC[N@H+]1C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300005271350	1	53	0.0	-53.79	383.39	9.41	-44.38
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=C(C(=O)[O-])C=NN1C	REAL300005271351	0	46	0.0	-75.85	350.21	5.92	-69.93
CC(CC1CCCC[N@H+]1C)NC(=O)C1=C(C(=O)[O-])C=NN1C	REAL300005271351	1	46	0.0	-69.45	351.87	6.91	-62.54
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300005271352	0	47	0.0	-62.08	369.16	7.67	-54.41
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300005271352	1	47	0.0	-63.41	376.45	7.86	-55.55
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300005271353	0	47	0.0	-72.50	369.37	7.81	-64.69
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300005271353	1	47	0.0	-77.56	372.95	8.71	-68.85
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300005271354	0	47	0.0	-63.60	360.53	6.81	-56.79
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300005271354	1	47	0.0	-67.77	364.12	7.72	-60.05
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300005271355	0	49	0.0	-75.42	354.16	9.21	-66.21
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300005271355	1	49	0.0	-85.60	361.34	9.42	-76.18
CC(CC1CCCC[N@@H+]1C)NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300005271356	0	49	0.0	-81.10	381.51	8.28	-72.82
CC(CC1CCCC[N@H+]1C)NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300005271356	1	49	0.0	-80.99	377.89	8.97	-72.02
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC(C(=O)[O-])=CS1	REAL300005271357	0	43	0.0	-82.80	337.60	7.47	-75.33
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC(C(=O)[O-])=CS1	REAL300005271357	1	43	0.0	-81.84	340.81	8.57	-73.27
CC(CC1CCCC[N@@H+]1C)NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300005271358	0	51	0.0	-53.02	361.90	6.55	-46.47
CC(CC1CCCC[N@H+]1C)NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300005271358	1	51	0.0	-76.43	367.75	7.93	-68.50
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300005271359	0	52	0.0	-84.19	380.33	10.54	-73.65
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300005271359	1	52	0.0	-83.52	383.63	11.64	-71.88
CC(C)[C@]1(C(=O)NC(C)CC2CCCC[N@@H+]2C)C[C@H]1C(=O)[O-]	REAL300005271360	0	52	0.0	-80.06	372.59	8.65	-71.41
CC(C)[C@]1(C(=O)NC(C)CC2CCCC[N@H+]2C)C[C@H]1C(=O)[O-]	REAL300005271360	1	52	0.0	-64.12	367.60	9.92	-54.20
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300005271361	0	52	0.0	-91.17	385.76	9.60	-81.57
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC(C)CC1CCCC[N@H+]1C	REAL300005271361	1	52	0.0	-89.19	388.98	10.70	-78.49
CC(CC1CCCC[N@@H+]1C)NC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300005271362	0	46	0.0	-72.70	360.23	8.45	-64.25
CC(CC1CCCC[N@H+]1C)NC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300005271362	1	46	0.0	-88.08	367.06	8.65	-79.43
CC(CC1CCCC[N@@H+]1C)NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300005271363	0	49	0.0	-82.36	373.23	9.35	-73.01
CC(CC1CCCC[N@H+]1C)NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300005271363	1	49	0.0	-92.18	380.06	9.55	-82.63
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300005271364	0	53	0.0	-64.72	393.01	10.18	-54.54
CC(CC1CCCC[N@H+]1C)NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300005271364	1	53	0.0	-69.57	396.62	11.10	-58.47
CC(CC1CCCC[N@@H+]1C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005271365	0	56	0.0	-79.05	387.93	9.35	-69.70
CC(CC1CCCC[N@H+]1C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005271365	1	56	0.0	-78.27	394.99	9.74	-68.53
CC1(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300005271504	0	47	0.0	-49.25	356.43	9.78	-39.47
CC1(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300005271504	1	47	0.0	-49.49	351.24	9.80	-39.69
CC1(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300005271591	0	47	0.0	-49.81	351.01	9.82	-39.99
CC1(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300005271591	1	47	0.0	-50.08	357.07	9.80	-40.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3NC(C4=CC=CN=C4)=NC3=C2)C1	REAL300005271705	0	49	0.0	-55.07	385.21	8.10	-46.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3NC(C4=CC=CN=C4)=NC3=C2)C1	REAL300005271705	1	49	0.0	-53.53	384.36	7.65	-45.88
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3N=C(C4=CC=CN=C4)NC3=C2)C1	REAL300005271705	1	49	0.0	-56.74	385.14	8.08	-48.66
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3N=C(C4=CC=CN=C4)NC3=C2)C1	REAL300005271705	1	49	0.0	-54.69	384.27	7.63	-47.06
CCOC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300005271818	0	46	0.0	-49.69	359.39	5.03	-44.66
CCOC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300005271818	1	46	0.0	-51.68	365.60	5.05	-46.63
CC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NC=C1Br	REAL300005271938	0	42	0.0	-46.60	345.33	6.74	-39.86
CC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NC=C1Br	REAL300005271938	1	42	0.0	-49.84	351.52	6.76	-43.08
CC1CN(C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)S(=O)(=O)C1	REAL300005272061	0	55	0.0	-57.72	415.03	6.19	-51.53
CC1CN(C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)S(=O)(=O)C1	REAL300005272061	1	55	0.0	-54.43	408.30	5.74	-48.69
CC[NH+]1CCC([NH+]2CCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2)CC1	REAL300005275013	1	58	0.0	-151.59	411.23	10.82	-140.77
CC1(C2=CC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005276646	0	47	0.0	-48.48	359.25	10.22	-38.26
CC1(C2=CC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005276646	1	47	0.0	-47.95	350.04	10.30	-37.65
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2C2CC2)C1	REAL300005276727	0	47	0.0	-47.71	362.09	9.51	-38.20
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2C2CC2)C1	REAL300005276727	1	47	0.0	-46.22	355.90	9.49	-36.73
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)C1	REAL300005276843	0	51	0.0	-59.39	377.98	4.84	-54.55
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)C1	REAL300005276843	1	51	0.0	-55.60	371.03	4.40	-51.20
CC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300005277000	0	46	0.0	-50.33	352.60	10.51	-39.82
CC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300005277000	1	46	0.0	-50.67	352.81	10.70	-39.97
CC1=CC(Br)=CC(C)=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005277126	0	49	0.0	-51.35	391.95	9.79	-41.56
CC1=CC(Br)=CC(C)=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005277126	1	49	0.0	-52.00	392.59	9.82	-42.18
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(OCCO)CCSC2)C1	REAL300005277237	0	49	0.0	-49.00	373.15	3.50	-45.50
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(OCCO)CCSC2)C1	REAL300005277237	1	49	0.0	-50.63	379.55	3.53	-47.10
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300005277289	0	42	0.0	-74.14	318.10	4.75	-69.39
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300005277289	1	42	0.0	-76.54	317.56	4.44	-72.10
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)C[C@@H]21	REAL300005277290	0	46	0.0	-66.58	348.75	4.84	-61.74
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)C[C@@H]21	REAL300005277290	1	46	0.0	-66.45	346.54	5.38	-61.07
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300005277291	0	42	0.0	-84.43	317.68	4.54	-79.89
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300005277291	1	42	0.0	-61.34	314.22	5.01	-56.33
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])S3)C[C@@H]21	REAL300005277292	0	39	0.0	-66.93	312.74	4.47	-62.46
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])S3)C[C@@H]21	REAL300005277292	1	39	0.0	-74.89	311.87	3.81	-71.08
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC(C(=O)[O-])=N3)C[C@@H]21	REAL300005277293	0	41	0.0	-63.99	318.17	3.75	-60.24
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC(C(=O)[O-])=N3)C[C@@H]21	REAL300005277293	1	41	0.0	-57.48	314.32	4.09	-53.39
CC(SC1=CC=CC=C1C(=O)N1C[C@H]2C[C@H](CO)[N@H+](C)[C@H]2C1)C(=O)[O-]	REAL300005277294	0	49	0.0	-76.28	378.62	6.43	-69.85
CC(SC1=CC=CC=C1C(=O)N1C[C@H]2C[C@H](CO)[N@@H+](C)[C@H]2C1)C(=O)[O-]	REAL300005277294	1	49	0.0	-75.85	380.29	7.07	-68.78
CCOC1=CC(C(=O)N2C[C@H]3C[C@H](CO)[N@H+](C)[C@H]3C2)=CC=C1OCC(=O)[O-]	REAL300005277295	0	53	0.0	-79.20	397.58	6.06	-73.14
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C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300005277298	0	46	0.0	-75.30	358.42	6.70	-68.60
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300005277298	1	46	0.0	-76.99	352.75	6.74	-70.25
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CNS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300005277299	0	50	0.0	-74.52	397.85	2.28	-72.24
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CNS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300005277299	1	50	0.0	-74.62	398.59	1.81	-72.81
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C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3CCCC(C(=O)[O-])C3)C[C@@H]21	REAL300005277307	0	48	0.0	-82.17	347.64	5.25	-76.92
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C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])N=C3)C[C@@H]21	REAL300005277308	0	41	0.0	-78.44	313.75	2.89	-75.55
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])N=C3)C[C@@H]21	REAL300005277308	1	41	0.0	-75.04	309.60	3.20	-71.84
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])C=N3)C[C@@H]21	REAL300005277309	0	41	0.0	-65.14	315.86	3.81	-61.33
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])C=N3)C[C@@H]21	REAL300005277309	1	41	0.0	-64.83	316.51	3.80	-61.03
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3F)C[C@@H]21	REAL300005277310	0	42	0.0	-72.39	328.25	5.29	-67.10
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3F)C[C@@H]21	REAL300005277310	1	42	0.0	-74.91	327.55	4.67	-70.24
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CN=C(C(=O)[O-])C=N3)C[C@@H]21	REAL300005277311	0	40	0.0	-67.81	311.49	1.95	-65.86
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CN=C(C(=O)[O-])C=N3)C[C@@H]21	REAL300005277311	1	40	0.0	-68.79	309.05	2.30	-66.49
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C[C@@H]21	REAL300005277312	0	48	0.0	-72.07	343.61	5.06	-67.01
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C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3CCC(C(=O)[O-])CC3)C[C@@H]21	REAL300005277313	0	48	0.0	-72.49	350.25	5.18	-67.31
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3CCC(C(=O)[O-])CC3)C[C@@H]21	REAL300005277313	1	48	0.0	-75.85	333.33	5.32	-70.53
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CC3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300005277314	0	45	0.0	-81.90	343.60	6.61	-75.29
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CC3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300005277314	1	45	0.0	-83.78	343.90	6.09	-77.69
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CN3C=C(C(=O)[O-])N=N3)C[C@@H]21	REAL300005277315	0	41	0.0	-85.12	323.94	1.79	-83.33
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CN3C=C(C(=O)[O-])N=N3)C[C@@H]21	REAL300005277315	1	41	0.0	-84.54	321.11	2.18	-82.36
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C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC(Br)=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300005277317	0	42	0.0	-77.53	338.88	5.13	-72.40
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC(Br)=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300005277317	1	42	0.0	-73.77	335.10	5.53	-68.24
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300005277318	0	42	0.0	-74.14	318.10	4.75	-69.39
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300005277318	1	42	0.0	-76.54	317.56	4.44	-72.10
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC(CC(=O)[O-])=C3)C[C@@H]21	REAL300005277319	0	45	0.0	-66.01	339.86	5.34	-60.67
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC(CC(=O)[O-])=C3)C[C@@H]21	REAL300005277319	1	45	0.0	-77.85	337.68	5.87	-71.98
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC=C3C3=CC=CC=C3C(=O)[O-])C[C@@H]21	REAL300005277320	0	52	0.0	-73.22	386.13	7.84	-65.38
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC=C3C3=CC=CC=C3C(=O)[O-])C[C@@H]21	REAL300005277320	1	52	0.0	-71.26	386.11	7.64	-63.62
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=C(CC(=O)[O-])OC=C3)C[C@@H]21	REAL300005277321	0	42	0.0	-76.05	319.42	3.75	-72.30
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=C(CC(=O)[O-])OC=C3)C[C@@H]21	REAL300005277321	1	42	0.0	-87.51	319.92	3.50	-84.01
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C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC(C(=O)[O-])=CC=N3)C[C@@H]21	REAL300005277323	0	41	0.0	-72.60	316.22	3.94	-68.66
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC(C(=O)[O-])=CC=N3)C[C@@H]21	REAL300005277323	1	41	0.0	-73.45	317.63	3.65	-69.80
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CC3CCC(C(=O)[O-])CC3)C[C@@H]21	REAL300005277324	0	51	0.0	-76.96	365.88	6.08	-70.88
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CC3CCC(C(=O)[O-])CC3)C[C@@H]21	REAL300005277324	1	51	0.0	-68.41	355.46	6.27	-62.14
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C[C@@H]21	REAL300005277325	0	49	0.0	-80.22	346.78	5.18	-75.04
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C[C@@H]21	REAL300005277325	1	49	0.0	-83.11	349.04	4.99	-78.12
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)C[C@@H]21	REAL300005277326	0	52	0.0	-75.41	356.54	5.41	-70.00
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)C[C@@H]21	REAL300005277326	1	52	0.0	-75.31	351.74	5.87	-69.44
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)C[C@@H]21	REAL300005277327	0	44	0.0	-89.12	351.72	3.85	-85.27
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)C[C@@H]21	REAL300005277327	1	44	0.0	-89.15	346.54	4.29	-84.86
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)C[C@@H]21	REAL300005277328	0	49	0.0	-80.52	368.77	5.95	-74.57
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)C[C@@H]21	REAL300005277328	1	49	0.0	-88.46	370.54	5.88	-82.58
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CC3CCCC4=CC=C(C(=O)[O-])C=C43)C[C@@H]21	REAL300005277329	0	55	0.0	-72.07	402.60	8.01	-64.06
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CC3CCCC4=CC=C(C(=O)[O-])C=C43)C[C@@H]21	REAL300005277329	1	55	0.0	-67.68	397.68	8.33	-59.35
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C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CN3C=C(C(=O)[O-])C=N3)C[C@@H]21	REAL300005277332	0	42	0.0	-78.32	325.96	4.05	-74.27
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CN3C=C(C(=O)[O-])C=N3)C[C@@H]21	REAL300005277332	1	42	0.0	-80.59	325.69	3.73	-76.86
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C=CC(=O)[O-])O3)C[C@@H]21	REAL300005277333	0	43	0.0	-67.23	339.73	4.73	-62.50
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C=CC(=O)[O-])O3)C[C@@H]21	REAL300005277333	1	43	0.0	-71.34	340.03	4.55	-66.79
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)C[C@@H]21	REAL300005277334	0	49	0.0	-56.24	349.88	5.29	-50.95
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)C[C@@H]21	REAL300005277334	1	49	0.0	-60.14	347.28	5.80	-54.34
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)C[C@@H]21	REAL300005277335	0	46	0.0	-73.89	349.11	5.02	-68.87
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)C[C@@H]21	REAL300005277335	1	46	0.0	-79.21	350.85	4.88	-74.33
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3CC(C(=O)[O-])=NN3C3=CC=CC=C3)C[C@@H]21	REAL300005277336	0	51	0.0	-79.10	389.75	5.60	-73.50
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3CC(C(=O)[O-])=NN3C3=CC=CC=C3)C[C@@H]21	REAL300005277336	1	51	0.0	-73.57	387.27	5.95	-67.62
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CCSCC(=O)[O-])C[C@@H]21	REAL300005277337	0	42	0.0	-67.35	328.97	5.12	-62.23
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CC(C=CC(=O)[O-])NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005280340	1	47	0.0	-65.38	386.51	9.65	-55.73
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CC(C=CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005280375	1	44	0.0	-67.94	361.59	8.89	-59.05
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CC(C=CC(=O)[O-])NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300005280419	0	50	0.0	-76.40	403.05	8.89	-67.51
CC(C=CC(=O)[O-])NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005280442	0	48	0.0	-61.02	354.96	6.26	-54.76
CC[N@H+](CC1=CC=C(C(=O)NC(C)C=CC(=O)[O-])C=C1)C(C)C	REAL300005280457	0	49	0.0	-72.40	376.46	9.24	-63.16
CC[N@@H+](CC1=CC=C(C(=O)NC(C)C=CC(=O)[O-])C=C1)C(C)C	REAL300005280457	1	49	0.0	-74.47	368.06	8.98	-65.49
CC(C=CC(=O)[O-])NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005280476	0	44	0.0	-68.90	352.96	8.51	-60.39
CC(C=CC(=O)[O-])NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005280476	1	44	0.0	-69.16	354.76	8.63	-60.53
CC(C=CC(=O)[O-])NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005280477	0	45	0.0	-76.73	353.56	8.02	-68.71
CC(C=CC(=O)[O-])NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300005280496	1	49	0.0	-66.46	383.17	7.43	-59.03
CC(C=CC(=O)[O-])NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005280497	0	48	0.0	-68.23	346.50	5.97	-62.26
CC(C=CC(=O)[O-])NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005280505	0	50	0.0	-71.96	393.41	10.18	-61.78
CC(C=CC(=O)[O-])NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005280505	1	50	0.0	-65.39	387.15	10.39	-55.00
CC(C=CC(=O)[O-])NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005280542	1	48	0.0	-64.57	377.66	6.06	-58.51
CC[NH+](CC)C(C(=O)NC(C)C=CC(=O)[O-])C1=CC=CC=C1	REAL300005280547	0	46	0.0	-60.23	348.46	8.46	-51.77
CC(C=CC(=O)[O-])NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300005280548	1	40	0.0	-64.40	341.15	8.14	-56.26
CC(C=CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005280560	0	44	0.0	-74.52	351.84	8.71	-65.81
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CN1CC(C(=O)[O-])N(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)CC1=O	REAL300005284540	0	47	0.0	-87.48	361.10	8.67	-78.81
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CN1CC(C(=O)[O-])N(C(=O)CC2(O)CCC[N@H+](C)C2)CC1=O	REAL300005284596	0	45	0.0	-67.90	321.41	4.46	-63.44
CN1CC(C(=O)[O-])N(C(=O)CC2(O)CCC[N@@H+](C)C2)CC1=O	REAL300005284596	1	45	0.0	-59.93	323.92	4.25	-55.68
CN1CC(C(=O)[O-])N(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1=O	REAL300005284603	0	56	0.0	-73.69	418.03	8.95	-64.74
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CN1CC(C(=O)[O-])N(C(=O)C2CCCC3CCC[N@@H+]32)CC1=O	REAL300005284646	0	45	0.0	-52.31	324.07	7.22	-45.09
CN1CC(C(=O)[O-])N(C(=O)C2CCCC3CCC[N@H+]32)CC1=O	REAL300005284646	1	45	0.0	-52.89	324.12	7.21	-45.68
CN1CC(C(=O)[O-])N(C(=O)C2=CN(CC[NH+](C)C)N=C2)CC1=O	REAL300005284648	0	44	0.0	-79.65	343.74	5.77	-73.88
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CN1CC(C(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1=O	REAL300005284653	0	53	0.0	-69.70	396.54	8.16	-61.54
CN1CC(C(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1=O	REAL300005284655	0	50	0.0	-68.65	378.99	7.98	-60.67
CN1CC(C(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1=O	REAL300005284655	1	50	0.0	-69.23	379.65	7.98	-61.25
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CN1CC(C(=O)[O-])N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1=O	REAL300005284683	1	51	0.0	-73.80	386.69	9.87	-63.93
CN1CC(C(=O)[O-])N(C(=O)C2=NN(CC[NH+](C)C)C=C2)CC1=O	REAL300005284696	0	44	0.0	-87.06	344.59	6.38	-80.68
CN1CC(C(=O)[O-])N(C(=O)C2=CC=NN2CC[NH+](C)C)CC1=O	REAL300005284697	0	44	0.0	-53.01	339.35	5.81	-47.20
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300005284698	1	45	0.0	-61.71	349.68	7.90	-53.81
CN1CC(C(=O)[O-])N(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)CC1=O	REAL300005284702	1	45	0.0	-78.71	346.34	6.04	-72.67
CN1CC(C(=O)[O-])N(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)CC1=O	REAL300005284702	1	45	0.0	-79.05	345.68	5.95	-73.10
CN1CC(C(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1=O	REAL300005284711	0	51	0.0	-73.09	390.60	9.91	-63.18
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CN1CC(C(=O)[O-])N(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1=O	REAL300005284760	0	51	0.0	-66.71	366.82	8.48	-58.23
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CN1CC(C(=O)[O-])N(C(=O)C2CCC3CCCC[N@H+]32)CC1=O	REAL300005284776	1	45	0.0	-56.42	329.68	7.62	-48.80
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CN1CC(C(=O)[O-])N(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)CC1=O	REAL300005284791	0	53	0.0	-81.41	398.74	7.38	-74.03
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CN1CC(C(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1=O	REAL300005284894	1	51	0.0	-59.78	374.10	9.74	-50.04
C#CC[NH+]1CCC(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300005284942	0	43	0.0	-74.56	332.81	7.49	-67.07
CC[NH+]1CCN(CCC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300005284945	0	49	0.0	-73.33	362.54	5.48	-67.85
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CC(C(=O)N1CC(=O)N(C)CC1C(=O)[O-])[NH+]1CCCCCC1	REAL300005284980	0	47	0.0	-53.69	328.51	6.86	-46.83
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)CC1=O	REAL300005285011	1	49	0.0	-82.12	373.56	8.26	-73.86
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)CC1=O	REAL300005285011	1	49	0.0	-82.74	380.55	8.53	-74.21
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CN1CC(C(=O)[O-])N(C(=O)CCCC[NH+]2CCCC2)CC1=O	REAL300005285056	0	47	0.0	-72.15	355.06	8.13	-64.02
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CN1CC(C(=O)[O-])N(C(=O)C[N@H+](C)CC2=CC=CC=C2)CC1=O	REAL300005285059	1	44	0.0	-63.25	340.52	8.21	-55.04
CN1CC(C(=O)[O-])N(C(=O)C[N@@H+](C)CC2=CC=CC=C2)CC1=O	REAL300005285059	1	44	0.0	-63.66	340.66	8.30	-55.36
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(=O)N(C)CC3C(=O)[O-])C=C2)CC1	REAL300005285063	0	56	0.0	-81.19	412.88	8.49	-72.70
CN1CC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1=O	REAL300005285075	1	39	0.0	-77.40	320.16	5.89	-71.51
CN1CC(C(=O)[O-])N(C(=O)C2=NOC(C[NH+](C)C)=C2)CC1=O	REAL300005285097	1	40	0.0	-77.89	319.04	6.07	-71.82
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300005285102	0	51	0.0	-74.83	385.89	9.60	-65.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300005285102	1	51	0.0	-75.54	384.78	9.52	-66.02
CN1CC(C(=O)[O-])N(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)CC1=O	REAL300005285125	0	52	0.0	-84.71	405.24	9.28	-75.43
CN1CC(C(=O)[O-])N(C(=O)COC2CC[NH+](C)CC2)CC1=O	REAL300005285137	0	45	0.0	-79.74	343.91	6.42	-73.32
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1=O	REAL300005285143	0	48	0.0	-78.19	365.77	8.39	-69.80
CCC[N@@H+]1CCCC(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300005285280	0	47	0.0	-55.01	336.72	7.57	-47.44
CCC[N@H+]1CCCC(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300005285280	1	47	0.0	-67.56	347.71	7.80	-59.76
CN1CC(C(=O)[O-])N(C(=O)C[NH+]2CCC(CO)CC2)CC1=O	REAL300005285309	1	45	0.0	-59.68	337.29	3.83	-55.85
CC(C)[N@@H+]1CCCC(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300005285480	0	47	0.0	-63.47	338.69	7.18	-56.29
CC(C)[N@H+]1CCCC(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300005285480	1	47	0.0	-64.17	338.49	7.30	-56.87
CN1CC(C(=O)[O-])N(C(=O)C2C[N@H+](C)CC2C(F)(F)F)CC1=O	REAL300005285481	0	41	0.0	-71.26	326.94	6.36	-64.90
CN1CC(C(=O)[O-])N(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)CC1=O	REAL300005285481	1	41	0.0	-65.90	311.74	6.29	-59.61
CC1=C(C)[NH+]=C(CCC(=O)N2CC(=O)N(C)CC2C(=O)[O-])N1	REAL300005285505	1	42	0.0	-61.56	334.20	6.09	-55.47
CN1CC(C(=O)[O-])N(C(=O)C2=CC(CC[NH+](C)C)=CC=C2)CC1=O	REAL300005285891	0	47	0.0	-82.74	368.29	8.96	-73.78
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)CC1=O	REAL300005285898	0	48	0.0	-84.54	368.97	7.67	-76.87
CN1CC(C(=O)[O-])N(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1=O	REAL300005285980	0	54	0.0	-71.18	403.54	10.66	-60.52
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(=O)N(C)CC3C(=O)[O-])C=C2)CCO1	REAL300005285982	1	52	0.0	-85.18	394.11	8.32	-76.86
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(=O)N(C)CC3C(=O)[O-])C=C2)CCO1	REAL300005285982	1	52	0.0	-85.27	394.09	8.32	-76.95
CN1CC(C(=O)[O-])N(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC1=O	REAL300005286010	0	47	0.0	-60.68	332.21	7.03	-53.65
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CC(C)C[N@@H+]1CCCC(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300005286064	0	50	0.0	-66.08	360.85	8.22	-57.86
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C[N@@H+]1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C(CO)C1	REAL300005291917	1	44	0.0	-99.26	344.93	5.40	-93.86
C[N@H+]1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C(CO)C1	REAL300005291917	1	44	0.0	-100.94	337.76	4.92	-96.02
CN1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C(CO)C1	REAL300005291919	0	45	0.0	-76.47	337.04	4.68	-71.79
C[N@@H+]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C(CO)C1	REAL300005291919	1	45	0.0	-77.52	330.26	4.21	-73.31
C[N@H+]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C(CO)C1	REAL300005291919	1	45	0.0	-76.47	337.04	4.68	-71.79
CN1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C(CO)C1	REAL300005291920	0	46	0.0	-63.08	326.17	5.82	-57.26
C[N@@H+]1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C(CO)C1	REAL300005291920	1	46	0.0	-70.65	324.80	6.62	-64.03
C[N@H+]1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C(CO)C1	REAL300005291920	1	46	0.0	-63.08	326.17	5.82	-57.26
CN1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C(CO)C1	REAL300005291922	0	45	0.0	-99.29	347.39	6.03	-93.26
C[N@@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C(CO)C1	REAL300005291922	1	45	0.0	-106.47	357.36	6.67	-99.80
C[N@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C(CO)C1	REAL300005291922	1	45	0.0	-99.29	347.39	6.03	-93.26
CN1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C(CO)C1	REAL300005291926	0	42	0.0	-66.58	321.66	5.86	-60.72
C[N@@H+]1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C(CO)C1	REAL300005291926	1	42	0.0	-94.41	332.27	5.02	-89.39
C[N@H+]1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C(CO)C1	REAL300005291926	1	42	0.0	-66.58	321.66	5.86	-60.72
CN1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C(CO)C1	REAL300005291930	0	43	0.0	-73.35	320.95	4.87	-68.48
C[N@@H+]1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C(CO)C1	REAL300005291930	1	43	0.0	-86.99	332.97	4.07	-82.92
C[N@H+]1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C(CO)C1	REAL300005291930	1	43	0.0	-73.35	320.95	4.87	-68.48
CN1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C(CO)C1	REAL300005291931	0	42	0.0	-83.85	321.41	6.58	-77.27
C[N@@H+]1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C(CO)C1	REAL300005291931	1	42	0.0	-82.91	328.78	7.09	-75.82
C[N@H+]1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C(CO)C1	REAL300005291931	1	42	0.0	-83.85	321.41	6.58	-77.27
CN1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C(CO)C1	REAL300005291935	0	41	0.0	-87.35	328.48	4.01	-83.34
C[N@@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C(CO)C1	REAL300005291935	1	41	0.0	-83.75	324.68	5.29	-78.46
C[N@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C(CO)C1	REAL300005291935	1	41	0.0	-87.35	328.48	4.01	-83.34
CN1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C(CO)C1	REAL300005291936	0	44	0.0	-82.77	326.74	7.06	-75.71
C[N@@H+]1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C(CO)C1	REAL300005291936	1	44	0.0	-84.74	339.26	6.36	-78.38
C[N@H+]1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C(CO)C1	REAL300005291936	1	44	0.0	-82.77	326.74	7.06	-75.71
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCN(C)CC1CO	REAL300005291937	0	44	0.0	-91.70	330.75	5.11	-86.59
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[N@@H+](C)CC1CO	REAL300005291937	1	44	0.0	-97.85	340.80	5.74	-92.11
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[N@H+](C)CC1CO	REAL300005291937	1	44	0.0	-91.70	330.75	5.11	-86.59
CN1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C(CO)C1	REAL300005291938	0	41	0.0	-93.16	318.58	4.66	-88.50
C[N@@H+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C(CO)C1	REAL300005291938	1	41	0.0	-91.86	325.76	5.17	-86.69
C[N@H+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C(CO)C1	REAL300005291938	1	41	0.0	-93.16	318.58	4.66	-88.50
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3(CCCC3)CCC2CO)C1	REAL300005292024	0	54	0.0	-44.98	369.22	8.32	-36.66
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CCCC3)CCC2CO)C1	REAL300005292024	1	54	0.0	-42.38	368.27	7.97	-34.41
CC1(C)CCC(CO)N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005292344	0	50	0.0	-44.76	352.53	7.45	-37.31
CC1(C)CCC(CO)N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005292344	1	50	0.0	-45.52	353.39	7.38	-38.14
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3(CCOCC3)CCC2CO)C1	REAL300005292438	0	55	0.0	-47.39	375.07	6.56	-40.83
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CCOCC3)CCC2CO)C1	REAL300005292438	1	55	0.0	-47.58	380.15	6.62	-40.96
CC1CC(C)N(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(C)C1C(=O)[O-]	REAL300005293556	0	59	0.0	-68.54	399.47	11.79	-56.75
CC1CC(C)N(C(=O)C2CC[NH+](C3CC3)CC2)C(C)C1C(=O)[O-]	REAL300005294854	0	53	0.0	-65.74	348.13	9.49	-56.25
CC1=[NH+]C=C2CCC(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)CN12	REAL300005294881	1	51	0.0	-66.33	351.28	9.23	-57.10
CC1=NC(C[NH+]2CCC(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)CC2)=CS1	REAL300005294944	1	58	0.0	-57.65	416.05	9.95	-47.70
CC(C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C)N1CC[NH+](C)CC1	REAL300005294945	1	54	0.0	-71.86	356.67	6.42	-65.44
CC1CC(C)N(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C(C)C1C(=O)[O-]	REAL300005295016	0	62	0.0	-72.16	449.96	12.68	-59.48
CC1CC(C)N(C(=O)C2=CN3C=[NH+]C=C3C=C2)C(C)C1C(=O)[O-]	REAL300005295072	0	44	0.0	-72.48	312.52	9.64	-62.84
CC1CC(C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C(C)C1C(=O)[O-]	REAL300005295100	0	58	0.0	-76.15	349.12	10.28	-65.87
CC1CC(C)N(C(=O)CC[N@H+](C)C2CCCCC2)C(C)C1C(=O)[O-]	REAL300005295104	0	58	0.0	-78.73	394.17	10.77	-67.96
CC1CC(C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C(C)C1C(=O)[O-]	REAL300005295104	1	58	0.0	-78.81	394.17	10.76	-68.05
CC1CC(C)N(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(C)C1C(=O)[O-]	REAL300005295163	0	52	0.0	-66.94	382.28	9.20	-57.74
CC1CC(C)N(C(=O)C2CCC([NH+]3CCOCC3)CC2)C(C)C1C(=O)[O-]	REAL300005295178	0	60	0.0	-85.25	406.87	9.28	-75.97
CC1=[NH+]C=CN1CCCC(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295205	1	50	0.0	-55.92	366.86	10.82	-45.10
CC1CC(C)N(C(=O)CCCC[NH+]2CCOCC2)C(C)C1C(=O)[O-]	REAL300005295206	1	56	0.0	-60.60	392.73	9.42	-51.18
CC[N@H+](CC1=CC=C(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C=C1)C(C)C	REAL300005295207	0	61	0.0	-63.42	419.68	11.61	-51.81
CC[N@@H+](CC1=CC=C(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C=C1)C(C)C	REAL300005295207	1	61	0.0	-63.41	410.87	11.20	-52.21
CC1CC(C)N(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(C)C1C(=O)[O-]	REAL300005295227	0	56	0.0	-72.01	388.45	12.07	-59.94
CC1CC(C)N(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(C)C1C(=O)[O-]	REAL300005295227	1	56	0.0	-79.44	403.49	11.71	-67.73
CC1CC(C)N(C(=O)C2CC[NH+](C3CCSC3)CC2)C(C)C1C(=O)[O-]	REAL300005295228	0	57	0.0	-72.12	382.51	10.50	-61.62
CC1CC(C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C(C)C1C(=O)[O-]	REAL300005295256	0	60	0.0	-52.57	379.97	8.95	-43.62
CCC(C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C)[NH+](CC)CC	REAL300005295260	0	54	0.0	-49.04	338.24	8.54	-40.50
CC(C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C)[N@H+](C)CC1=CC=CC=C1	REAL300005295262	0	55	0.0	-69.81	385.74	10.97	-58.84
CC(C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C)[N@@H+](C)CC1=CC=CC=C1	REAL300005295262	1	55	0.0	-47.61	387.48	11.08	-36.53
CC1CC(C)N(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(C)C1C(=O)[O-]	REAL300005295269	0	62	0.0	-74.29	425.48	13.31	-60.98
CC1CC(C)N(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(C)C1C(=O)[O-]	REAL300005295269	1	62	0.0	-71.53	422.03	12.66	-58.87
CC1CC(C)N(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C(C)C1C(=O)[O-]	REAL300005295283	0	51	0.0	-59.05	358.28	8.13	-50.92
CCC[NH+](CCC)CCCC(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295290	0	60	0.0	-75.05	413.73	11.25	-63.80
CC(C)C1=[NH+]C=CN1CC(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295299	1	50	0.0	-49.51	364.24	9.99	-39.52
CC1CC(C)N(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(C)C1C(=O)[O-]	REAL300005295313	0	56	0.0	-65.98	396.76	11.20	-54.78
CC1CC(C)N(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(C)C1C(=O)[O-]	REAL300005295318	0	59	0.0	-60.47	403.89	11.55	-48.92
CCC(C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C)[N@@H+]1CCOC(CC)C1	REAL300005295320	1	59	0.0	-67.21	385.97	8.58	-58.63
CCC(C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C)[N@H+]1CCOC(CC)C1	REAL300005295320	1	59	0.0	-52.06	388.49	9.50	-42.56
CCN1CCC([NH+]2CCC(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)CC2)CC1	REAL300005295323	0	67	0.0	-67.45	433.55	9.56	-57.89
CC1CC(C)N(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(C)C1C(=O)[O-]	REAL300005295342	1	60	0.0	-55.74	428.52	11.64	-44.10
CC1CC(C)N(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C)C1C(=O)[O-]	REAL300005295342	1	60	0.0	-82.42	413.13	11.90	-70.52
CC1=C(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C=NN1C1=CC=[NH+]C=C1	REAL300005295356	1	50	0.0	-72.21	369.87	8.80	-63.41
CC1CC(C)N(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(C)C1C(=O)[O-]	REAL300005295359	0	59	0.0	-61.21	403.92	11.97	-49.24
CC1CC(C)N(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(C)C1C(=O)[O-]	REAL300005295370	1	52	0.0	-69.26	372.61	9.64	-59.62
CC1CC(C)N(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(C)C1C(=O)[O-]	REAL300005295371	0	55	0.0	-70.05	394.44	10.90	-59.15
CNC1=[NH+]C(C)=CC=C1C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295377	1	48	0.0	-63.88	344.86	7.61	-56.27
CC(C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C)[NH+]1CCSCC1	REAL300005295420	1	50	0.0	-42.16	346.08	9.11	-33.05
CC1CC(C)N(C(=O)C[N@H+](C)CC(C)(C)C)C(C)C1C(=O)[O-]	REAL300005295426	0	54	0.0	-73.68	370.16	9.82	-63.86
CC1CC(C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C(C)C1C(=O)[O-]	REAL300005295426	1	54	0.0	-51.09	365.26	9.64	-41.45
CC1CC(C)N(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C(C)C1C(=O)[O-]	REAL300005295428	0	55	0.0	-77.74	399.07	11.72	-66.02
CC1CC(C)N(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(C)C1C(=O)[O-]	REAL300005295428	1	55	0.0	-56.08	397.16	11.69	-44.39
COCCOCC[N@H+](C)CCC(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295429	0	59	0.0	-50.43	424.02	8.57	-41.86
COCCOCC[N@@H+](C)CCC(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295429	1	59	0.0	-79.19	423.94	7.78	-71.41
CC1CC(C)N(C(=O)CC2(O)CCC[N@H+](C)C2)C(C)C1C(=O)[O-]	REAL300005295432	0	53	0.0	-69.63	366.11	7.58	-62.05
CC1CC(C)N(C(=O)CC2(O)CCC[N@@H+](C)C2)C(C)C1C(=O)[O-]	REAL300005295432	1	53	0.0	-75.14	353.96	6.75	-68.39
CCCCCC[N@H+](C)CC(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295443	0	57	0.0	-52.88	401.75	11.01	-41.87
CCCCCC[N@@H+](C)CC(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295443	1	57	0.0	-75.68	403.66	11.03	-64.65
CC1CC(C)N(C(=O)C2=CC3=C[NH+]=CN3C=C2)C(C)C1C(=O)[O-]	REAL300005295457	1	44	0.0	-83.62	325.74	10.39	-73.23
CC1CC(C)N(C(=O)C[N@H+](C)C2CCSC2)C(C)C1C(=O)[O-]	REAL300005295472	0	50	0.0	-43.68	355.01	10.08	-33.60
CC1CC(C)N(C(=O)C[N@@H+](C)C2CCSC2)C(C)C1C(=O)[O-]	REAL300005295472	1	50	0.0	-54.20	349.90	9.31	-44.89
CC(C)[NH+]1CCN(CCC(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)CC1	REAL300005295485	0	60	0.0	-77.19	406.59	7.93	-69.26
CC(C)[NH+]1CCN(CCCC(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)CC1	REAL300005295486	0	63	0.0	-73.16	419.88	8.57	-64.59
CC(C)N1CC[NH+](CCCC(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)CC1	REAL300005295486	1	63	0.0	-55.99	429.24	9.71	-46.28
CC1CC(C)N(C(=O)C2CCCC3CCC[N@@H+]32)C(C)C1C(=O)[O-]	REAL300005295487	0	53	0.0	-49.15	337.70	9.13	-40.02
CC1CC(C)N(C(=O)C2CCCC3CCC[N@H+]32)C(C)C1C(=O)[O-]	REAL300005295487	1	53	0.0	-52.59	340.55	9.66	-42.93
CC1CC(C)N(C(=O)C2=CN(CC[NH+](C)C)N=C2)C(C)C1C(=O)[O-]	REAL300005295489	0	52	0.0	-87.82	371.25	8.12	-79.70
CC1CC(C)N(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C)C1C(=O)[O-]	REAL300005295493	0	61	0.0	-82.53	428.45	10.49	-72.04
CC1CC(C)N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(C)C1C(=O)[O-]	REAL300005295495	0	58	0.0	-76.79	406.85	10.32	-66.47
CC1CC(C)N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(C)C1C(=O)[O-]	REAL300005295495	1	58	0.0	-76.54	394.69	9.65	-66.89
CC(C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005295500	0	56	0.0	-44.60	381.34	11.45	-33.15
CC(C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005295500	1	56	0.0	-74.98	393.85	11.60	-63.38
CC1CC(C)N(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(C)C1C(=O)[O-]	REAL300005295520	0	59	0.0	-79.24	419.74	12.43	-66.81
CC1CC(C)N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C)C1C(=O)[O-]	REAL300005295520	1	59	0.0	-73.58	407.87	12.12	-61.46
CC1CC(C)N(C(=O)C2=NN(CC[NH+](C)C)C=C2)C(C)C1C(=O)[O-]	REAL300005295533	0	52	0.0	-68.11	383.59	8.13	-59.98
CC1CC(C)N(C(=O)C2=CC=NN2CC[NH+](C)C)C(C)C1C(=O)[O-]	REAL300005295534	0	52	0.0	-65.59	374.64	8.42	-57.17
CCC1=[NH+]C=CN1C(C)CC(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295535	1	53	0.0	-70.62	381.71	10.37	-60.25
CC[C@@H]1[C@@H](C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)CC[N@@H+]1C	REAL300005295538	0	52	0.0	-74.96	345.05	8.59	-66.37
CC[C@@H]1[C@@H](C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)CC[N@H+]1C	REAL300005295538	1	52	0.0	-79.23	356.66	9.04	-70.19
CC1CC(C)N(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C(C)C1C(=O)[O-]	REAL300005295541	1	53	0.0	-78.35	371.35	7.22	-71.13
CC1CC(C)N(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C(C)C1C(=O)[O-]	REAL300005295541	1	53	0.0	-65.56	373.97	8.33	-57.23
CC1C[N@H+](C)CC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)O1	REAL300005295548	1	50	0.0	-66.82	338.56	7.67	-59.15
CC1C[N@@H+](C)CC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)O1	REAL300005295548	1	50	0.0	-87.18	338.73	7.31	-79.87
CC1CC(C)N(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C(C)C1C(=O)[O-]	REAL300005295552	0	59	0.0	-76.88	418.32	12.15	-64.73
CC1CC(C)N(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C(C)C1C(=O)[O-]	REAL300005295552	1	59	0.0	-75.25	410.93	11.77	-63.48
CC(C[NH+]1CCOCC1)C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295557	1	53	0.0	-75.34	360.27	7.51	-67.83
CC1CC(C)N(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(C)C1C(=O)[O-]	REAL300005295558	0	60	0.0	-52.67	425.02	10.59	-42.08
CC1CC[NH+](CC(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)CC1	REAL300005295568	0	52	0.0	-70.69	345.60	8.97	-61.72
CC[N@@H+]1CCOC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C1	REAL300005295581	1	50	0.0	-78.41	329.90	8.13	-70.28
CC[N@H+]1CCOC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C1	REAL300005295581	1	50	0.0	-61.68	336.82	8.34	-53.34
CC1CC(C)N(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C(C)C1C(=O)[O-]	REAL300005295613	0	59	0.0	-71.91	396.66	10.91	-61.00
CC1CC(C)N(C(=O)C2CC[N@H+](C3CCCCC3)C2)C(C)C1C(=O)[O-]	REAL300005295613	1	59	0.0	-64.84	386.84	10.67	-54.17
CC1CC(C)N(C(=O)CCC2CCC[N@@H+]2C)C(C)C1C(=O)[O-]	REAL300005295619	0	52	0.0	-77.01	363.10	9.41	-67.60
CC1CC(C)N(C(=O)CCC2CCC[N@H+]2C)C(C)C1C(=O)[O-]	REAL300005295619	1	52	0.0	-77.48	362.05	9.67	-67.81
CC1CC(C)N(C(=O)C2CCC3CCCC[N@@H+]32)C(C)C1C(=O)[O-]	REAL300005295631	0	53	0.0	-70.40	361.95	9.83	-60.57
CC1CC(C)N(C(=O)C2CCC3CCCC[N@H+]32)C(C)C1C(=O)[O-]	REAL300005295631	1	53	0.0	-38.57	354.74	10.28	-28.29
CC1CC(C)N(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(C)C1C(=O)[O-]	REAL300005295645	0	61	0.0	-65.49	431.49	9.75	-55.74
CC1CC(C)N(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(C)C1C(=O)[O-]	REAL300005295646	0	61	0.0	-68.50	430.56	9.48	-59.02
CC1CC(C)N(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(C)C1C(=O)[O-]	REAL300005295646	1	61	0.0	-66.68	430.04	9.35	-57.33
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C=C1	REAL300005295647	0	62	0.0	-59.05	428.53	11.34	-47.71
CC(C)[NH+]1CCC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)CC1	REAL300005295655	0	55	0.0	-57.75	363.24	9.63	-48.12
CC1CC(C)N(C(=O)C23CC[N@H+](C2)CCC3)C(C)C1C(=O)[O-]	REAL300005295728	0	50	0.0	-69.32	323.15	7.43	-61.89
CC1CC(C)N(C(=O)C23CC[N@@H+](C2)CCC3)C(C)C1C(=O)[O-]	REAL300005295728	1	50	0.0	-79.46	325.89	7.87	-71.59
CC1CCC(C)[NH+]1CC(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295768	0	52	0.0	-66.79	348.79	9.06	-57.73
CC1CC(C)N(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C(C)C1C(=O)[O-]	REAL300005295769	0	52	0.0	-62.86	362.30	9.69	-53.17
CC1CC(C)N(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(C)C1C(=O)[O-]	REAL300005295770	0	59	0.0	-74.61	403.45	12.07	-62.54
CC1CC(C)N(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(C)C1C(=O)[O-]	REAL300005295770	1	59	0.0	-56.95	401.35	11.93	-45.02
C#CC[NH+]1CCC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)CC1	REAL300005295821	0	51	0.0	-67.65	348.46	9.48	-58.17
CC[NH+]1CCN(CCC(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)CC1	REAL300005295823	0	57	0.0	-78.57	393.81	7.66	-70.91
CCN1CC[NH+](CCC(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)CC1	REAL300005295823	1	57	0.0	-48.40	393.07	8.49	-39.91
CC(C)C1=[NH+]C=CN1CCC(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295830	1	53	0.0	-67.39	366.13	9.66	-57.73
CC(C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C)[NH+]1CCCCCC1	REAL300005295861	0	55	0.0	-53.50	349.93	9.02	-44.48
CC1CC(C)N(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(C)C1C(=O)[O-]	REAL300005295895	1	57	0.0	-71.05	406.78	10.76	-60.29
CC1CC(C)N(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(C)C1C(=O)[O-]	REAL300005295895	1	57	0.0	-79.76	403.07	10.58	-69.18
CC[NH+](CC)CC1=CC=C(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)O1	REAL300005295937	0	55	0.0	-79.62	387.10	9.96	-69.66
CC1CC(C)N(C(=O)CCCC[NH+]2CCCC2)C(C)C1C(=O)[O-]	REAL300005295938	0	55	0.0	-59.36	387.22	11.25	-48.11
CC1=CC=C(N2CCC(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)CC2)[NH+]=C1	REAL300005295940	1	58	0.0	-50.74	401.76	9.90	-40.84
CC1CC(C)N(C(=O)C[N@H+](C)CC2=CC=CC=C2)C(C)C1C(=O)[O-]	REAL300005295941	1	52	0.0	-53.59	374.84	10.83	-42.76
CC1CC(C)N(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C(C)C1C(=O)[O-]	REAL300005295941	1	52	0.0	-78.12	372.51	10.70	-67.42
CC1CC(C)N(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(C)C1C(=O)[O-]	REAL300005295960	1	47	0.0	-80.97	351.89	9.28	-71.69
CC1CC(C)N(C(=O)C2=NOC(C[NH+](C)C)=C2)C(C)C1C(=O)[O-]	REAL300005295983	1	48	0.0	-70.96	346.22	8.42	-62.54
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295987	0	59	0.0	-73.17	410.18	12.03	-61.14
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005295987	1	59	0.0	-62.16	399.15	12.13	-50.03
CC(C)[N@@H+]1CCCC1C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005296003	0	52	0.0	-48.84	343.32	9.16	-39.68
CC(C)[N@H+]1CCCC1C(=O)N1C(C)CC(C)C(C(=O)[O-])C1C	REAL300005296003	1	52	0.0	-55.69	331.62	8.63	-47.06
CC1CC(C)N(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(C)C1C(=O)[O-]	REAL300005296010	0	60	0.0	-66.06	426.74	11.04	-55.02
CC1CC(C)N(C(=O)COC2CC[NH+](C)CC2)C(C)C1C(=O)[O-]	REAL300005296024	0	53	0.0	-84.38	375.60	9.27	-75.11
CC1CC(C)N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(C)C1C(=O)[O-]	REAL300005296029	0	56	0.0	-78.78	396.11	10.36	-68.42
CCC[N@@H+]1CCCC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C1	REAL300005296178	0	55	0.0	-54.55	362.61	9.74	-44.81
CCC[N@H+]1CCCC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C1	REAL300005296178	1	55	0.0	-58.02	369.55	9.63	-48.39
CC1CC(C)N(C(=O)C[NH+]2CCC(CO)CC2)C(C)C1C(=O)[O-]	REAL300005296206	0	53	0.0	-73.90	356.44	5.66	-68.24
CC(C)[N@@H+]1CCCC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C1	REAL300005296389	0	55	0.0	-67.55	355.86	9.41	-58.14
CC(C)[N@H+]1CCCC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C1	REAL300005296389	1	55	0.0	-60.76	361.02	10.03	-50.73
CC1CC(C)N(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C(C)C1C(=O)[O-]	REAL300005296390	0	49	0.0	-82.03	347.93	9.23	-72.80
CC1CC(C)N(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(C)C1C(=O)[O-]	REAL300005296390	1	49	0.0	-86.32	357.77	8.71	-77.61
CC1=C(C)[NH+]=C(CCC(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)N1	REAL300005296412	1	50	0.0	-71.21	365.89	8.43	-62.78
CC1CC(C)N(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(C)C1C(=O)[O-]	REAL300005296804	0	55	0.0	-64.61	392.13	11.79	-52.82
CC1CC(C)N(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(C)C1C(=O)[O-]	REAL300005296812	0	56	0.0	-61.09	393.37	9.97	-51.12
CC1CC(C)N(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(C)C1C(=O)[O-]	REAL300005296906	0	62	0.0	-77.06	422.61	12.54	-64.52
CC1C[N@H+](CC2=CC=C(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)C=C2)CCO1	REAL300005296908	1	60	0.0	-86.38	423.25	10.42	-75.96
CC1C[N@@H+](CC2=CC=C(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)C=C2)CCO1	REAL300005296908	1	60	0.0	-88.55	420.18	10.28	-78.27
CC1CC(C)N(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(C)C1C(=O)[O-]	REAL300005296939	0	55	0.0	-57.88	359.94	9.58	-48.30
CC1=[NH+]C=C2C=CC(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)=CN21	REAL300005296943	0	47	0.0	-54.90	345.26	9.78	-45.12
CC(C)C[N@@H+]1CCCC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C1	REAL300005296992	0	58	0.0	-66.40	371.29	10.17	-56.23
CC(C)C[N@H+]1CCCC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C1	REAL300005296992	1	58	0.0	-52.18	387.51	10.42	-41.76
CC[N@@H+]1CCCC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C1	REAL300005296993	0	52	0.0	-62.66	340.44	9.78	-52.88
CC[N@H+]1CCCC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C1	REAL300005296993	1	52	0.0	-70.67	345.16	9.91	-60.76
CC1CC(C)N(C(=O)C2=CC=C(C[NH+](C)C)O2)C(C)C1C(=O)[O-]	REAL300005296999	1	49	0.0	-81.63	354.81	8.76	-72.87
CC1CC(C)N(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C(C)C1C(=O)[O-]	REAL300005297007	0	51	0.0	-71.96	329.13	8.51	-63.45
CC1CC(C)N(C(=O)C23CC(C2)C[N@H+]3C2CC2)C(C)C1C(=O)[O-]	REAL300005297007	1	51	0.0	-49.98	329.81	9.54	-40.44
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)CC2	REAL300005297088	1	43	0.0	-70.39	341.61	8.36	-62.03
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)CC2	REAL300005297089	1	47	0.0	-73.76	373.99	8.69	-65.07
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=CC(C(=O)[O-])=C1)CC2	REAL300005297090	1	43	0.0	-58.81	340.12	8.30	-50.51
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C(=O)[O-])S1)CC2	REAL300005297091	1	40	0.0	-64.69	334.10	7.47	-57.22
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=CC(C(=O)[O-])=N1)CC2	REAL300005297092	1	42	0.0	-53.00	338.65	7.51	-45.49
CC(SC1=CC=CC=C1C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1)C(=O)[O-]	REAL300005297093	1	50	0.0	-74.21	399.09	10.16	-64.05
CCOC1=CC(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)=CC=C1OCC(=O)[O-]	REAL300005297094	1	54	0.0	-77.62	423.65	9.33	-68.29
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)CC2	REAL300005297095	1	49	0.0	-75.11	389.42	10.26	-64.85
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=NC(C(=O)[O-])=C1)CC2	REAL300005297096	1	42	0.0	-62.38	335.92	6.54	-55.84
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)CC2	REAL300005297097	1	47	0.0	-73.40	376.73	9.93	-63.47
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)CC2	REAL300005297098	1	45	0.0	-70.86	368.26	8.97	-61.89
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)CC2	REAL300005297099	1	45	0.0	-70.86	368.26	8.97	-61.89
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)CC2	REAL300005297100	1	50	0.0	-72.11	401.56	9.33	-62.78
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C(=O)[O-])O1)CC2	REAL300005297101	1	40	0.0	-56.41	326.65	7.13	-49.28
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CCC1=CC=CC=C1C(=O)[O-])CC2	REAL300005297102	1	49	0.0	-71.06	380.50	10.00	-61.06
CC1=CC(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)=CC(C)=C1OCC(=O)[O-]	REAL300005297103	1	53	0.0	-70.40	416.83	10.17	-60.23
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CC1=CC=CC(C(=O)[O-])=C1)CC2	REAL300005297104	1	46	0.0	-82.73	368.02	9.44	-73.29
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1CCCC(C(=O)[O-])C1)CC2	REAL300005297105	1	49	0.0	-80.93	359.25	8.54	-72.39
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C(=O)[O-])N=C1)CC2	REAL300005297106	1	42	0.0	-68.00	337.43	6.49	-61.51
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)CC2	REAL300005297107	1	42	0.0	-59.52	337.91	7.53	-51.99
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CC(C)(C)CC(=O)[O-])CC2	REAL300005297108	1	48	0.0	-70.22	352.52	8.21	-62.01
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C(=O)[O-])C=C1F)CC2	REAL300005297109	1	43	0.0	-69.97	348.06	8.40	-61.57
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CN=C(C(=O)[O-])C=N1)CC2	REAL300005297110	1	41	0.0	-62.33	333.53	5.69	-56.64
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)CC2	REAL300005297111	1	49	0.0	-69.05	369.27	8.87	-60.18
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1CCC(C(=O)[O-])CC1)CC2	REAL300005297112	1	49	0.0	-70.28	369.49	8.86	-61.42
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CC1=CC=C(C(=O)[O-])C=C1)CC2	REAL300005297113	1	46	0.0	-82.90	368.02	9.45	-73.45
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CN1C=C(C(=O)[O-])N=N1)CC2	REAL300005297114	1	42	0.0	-84.63	345.44	5.36	-79.27
CC1=NC(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)=CC=C1C(=O)[O-]	REAL300005297115	1	45	0.0	-59.25	353.64	7.97	-51.28
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)CC2	REAL300005297116	1	43	0.0	-70.39	341.61	8.36	-62.03
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CC2	REAL300005297117	1	46	0.0	-78.59	347.19	8.14	-70.45
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)CC2	REAL300005297118	1	46	0.0	-73.87	362.27	9.07	-64.80
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=C(CC(=O)[O-])OC=C1)CC2	REAL300005297119	1	43	0.0	-77.35	345.84	7.42	-69.93
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297120	1	46	0.0	-77.02	373.17	8.28	-68.74
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC(C(=O)[O-])=CC=N1)CC2	REAL300005297121	1	42	0.0	-70.21	338.09	7.55	-62.66
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C13CC(C(=O)[O-])(C1)C3)CC2	REAL300005297122	1	44	0.0	-68.75	341.50	8.09	-60.66
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1(C(=O)[O-])CCC1)CC2	REAL300005297123	1	43	0.0	-62.45	325.68	7.22	-55.23
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CC1CCC(C(=O)[O-])CC1)CC2	REAL300005297124	1	52	0.0	-77.69	388.14	9.69	-68.00
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C13CCC(C(=O)[O-])(CC1)C3)CC2	REAL300005297125	1	50	0.0	-79.53	368.44	8.79	-70.74
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)CC2	REAL300005297126	1	53	0.0	-72.02	375.84	8.98	-63.04
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CC(C)(C)CC(=O)[O-])CC2	REAL300005297127	1	48	0.0	-70.22	352.52	8.21	-62.01
CC(CC(=O)[O-])CC(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297128	1	45	0.0	-72.36	342.77	7.83	-64.53
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=NC3=C(C(=O)[O-])C=NN31)CC2	REAL300005297129	1	45	0.0	-81.33	371.20	7.42	-73.91
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)CC2	REAL300005297130	1	50	0.0	-76.83	399.57	9.08	-67.75
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=NOC(C(=O)[O-])=C1)CC2	REAL300005297131	1	39	0.0	-60.01	321.51	6.57	-53.44
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1(C(=O)[O-])CCCC1)CC2	REAL300005297132	1	46	0.0	-61.66	336.60	7.72	-53.94
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CC1CCCC3=CC=C(C(=O)[O-])C=C31)CC2	REAL300005297133	1	56	0.0	-66.62	422.18	11.67	-54.95
CC1=C(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)C=C(C(=O)[O-])O1	REAL300005297134	1	43	0.0	-63.81	347.77	7.67	-56.14
CC1=C(C(=O)[O-])OC(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)=C1	REAL300005297135	1	43	0.0	-56.56	344.59	7.71	-48.85
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CN1C=C(C(=O)[O-])C=N1)CC2	REAL300005297136	1	43	0.0	-80.33	350.06	6.85	-73.48
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)CC2	REAL300005297137	1	44	0.0	-59.51	360.14	8.41	-51.10
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)CC2	REAL300005297138	1	50	0.0	-61.00	370.60	9.01	-51.99
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)CC2	REAL300005297139	1	47	0.0	-70.68	372.61	8.64	-62.04
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)CC2	REAL300005297140	1	52	0.0	-75.67	410.06	9.23	-66.44
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CCSCC(=O)[O-])CC2	REAL300005297141	1	43	0.0	-68.25	353.19	7.96	-60.29
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)CC2	REAL300005297142	1	42	0.0	-59.52	337.91	7.53	-51.99
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC(C(=O)[O-])=NN1C)CC2	REAL300005297143	1	43	0.0	-68.47	347.35	6.11	-62.36
C[C@@H]1C[C@H](C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)O[C@H]1C(=O)[O-]	REAL300005297144	1	47	0.0	-76.10	361.85	8.10	-68.00
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C(C)(C)CCC(=O)[O-])CC2	REAL300005297145	1	48	0.0	-76.84	349.98	7.66	-69.18
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)CC2	REAL300005297146	1	46	0.0	-66.32	363.77	9.13	-57.19
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)CC2	REAL300005297147	1	47	0.0	-75.15	373.68	9.65	-65.50
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)CC2	REAL300005297148	1	44	0.0	-71.11	361.44	8.18	-62.93
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=CC=C1CCC(=O)[O-])CC2	REAL300005297149	1	49	0.0	-66.10	382.73	9.89	-56.21
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)COCC1=C(C(=O)[O-])N=CO1)CC2	REAL300005297150	1	46	0.0	-79.45	376.11	4.52	-74.93
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)CC2	REAL300005297151	1	44	0.0	-64.04	362.82	8.53	-55.51
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CC2	REAL300005297152	1	46	0.0	-78.59	347.19	8.14	-70.45
CC1=CC=C(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)C=C1C(=O)[O-]	REAL300005297153	1	46	0.0	-77.36	357.45	8.88	-68.48
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CN=CC(C(=O)[O-])=C1)CC2	REAL300005297154	1	42	0.0	-68.13	337.95	6.53	-61.60
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297155	1	45	0.0	-58.61	355.29	7.12	-51.49
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CN1C=CC(C(=O)[O-])=N1)CC2	REAL300005297156	1	43	0.0	-93.65	349.44	6.87	-86.78
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)CC2	REAL300005297157	1	49	0.0	-92.92	393.03	8.29	-84.63
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])CC2	REAL300005297158	1	43	0.0	-79.78	329.43	8.78	-71.00
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)CC2	REAL300005297159	1	50	0.0	-80.56	383.47	8.54	-72.02
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)CC2	REAL300005297160	1	50	0.0	-72.93	386.31	7.58	-65.35
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])CC2	REAL300005297161	1	43	0.0	-79.78	329.43	8.78	-71.00
CC1=C(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)OC(C(=O)[O-])=C1	REAL300005297162	1	43	0.0	-58.44	345.32	7.86	-50.58
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@@H]1C3C=CC(CC3)[C@@H]1C(=O)[O-])CC2	REAL300005297163	1	51	0.0	-75.09	366.01	10.14	-64.95
CC(C)C(C(=O)[O-])C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297164	1	45	0.0	-66.44	345.04	7.61	-58.83
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CC2	REAL300005297165	1	49	0.0	-66.62	355.68	9.22	-57.40
CN(C)C1=NC=CC2=C1CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300005297166	0	51	0.0	-54.34	378.02	8.48	-45.86
CN(C)C1=NC=CC2=C1CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300005297166	1	51	0.0	-48.23	376.89	8.05	-40.18
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)CC2	REAL300005297167	1	50	0.0	-59.26	383.59	10.19	-49.07
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)CC2	REAL300005297168	1	50	0.0	-76.83	399.57	9.08	-67.75
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)CC2	REAL300005297169	1	50	0.0	-92.71	401.37	10.82	-81.89
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1CC3(CC3C(=O)[O-])C1)CC2	REAL300005297170	1	47	0.0	-64.92	365.81	9.06	-55.86
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)CC2	REAL300005297171	1	43	0.0	-75.99	334.39	7.70	-68.29
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297172	1	49	0.0	-62.73	369.58	8.72	-54.01
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297173	1	46	0.0	-60.26	360.22	8.92	-51.34
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1CC(C)(C(=O)[O-])C1)CC2	REAL300005297174	1	46	0.0	-63.73	351.98	8.12	-55.61
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=C(C(=O)[O-])SC=C1)CC2	REAL300005297175	1	40	0.0	-79.11	330.14	8.29	-70.82
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297177	1	45	0.0	-65.74	352.56	7.05	-58.69
CCCC(C(=O)[O-])C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297178	1	45	0.0	-64.56	349.18	7.86	-56.70
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297179	1	46	0.0	-69.96	360.13	8.91	-61.05
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)CC2	REAL300005297180	1	43	0.0	-68.69	356.70	8.80	-59.89
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1CC3(CC(C(=O)[O-])C3)C1)CC2	REAL300005297181	1	50	0.0	-72.53	383.30	9.58	-62.95
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)=C1	REAL300005297182	1	46	0.0	-51.82	368.64	6.85	-44.97
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C(=O)[O-])N1C)CC2	REAL300005297183	1	44	0.0	-70.81	346.65	7.60	-63.21
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1(C(=O)[O-])CC=CC1)CC2	REAL300005297184	1	44	0.0	-62.47	329.37	7.64	-54.83
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)CC2	REAL300005297185	1	49	0.0	-69.87	385.17	9.94	-59.93
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CC1(CC(=O)[O-])CC1)CC2	REAL300005297187	1	46	0.0	-66.01	357.22	8.50	-57.51
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1CC3(C1)C(C(=O)[O-])C3(F)F)CC2	REAL300005297188	1	47	0.0	-59.57	376.98	9.23	-50.34
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CSC(C(=O)[O-])=N1)CC2	REAL300005297189	1	39	0.0	-53.04	330.23	6.43	-46.61
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])CC2	REAL300005297190	1	43	0.0	-82.13	334.19	7.52	-74.61
CC1=C(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)C=C(C(=O)[O-])S1	REAL300005297191	1	43	0.0	-62.10	353.52	8.24	-53.86
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC3=C(SC(C(=O)[O-])=C3)S1)CC2	REAL300005297192	1	43	0.0	-72.63	369.81	8.90	-63.73
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)=C1	REAL300005297193	1	47	0.0	-68.76	383.30	8.06	-60.70
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297194	1	46	0.0	-64.69	367.83	9.03	-55.66
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC3=C(C(=O)[O-])C=CC=C3S1)CC2	REAL300005297195	1	46	0.0	-82.16	375.13	9.59	-72.57
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CCC1=CC=CN=C1C(=O)[O-])CC2	REAL300005297196	1	48	0.0	-70.00	377.04	8.23	-61.77
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C13CC(C(=O)[O-])(C1)CO3)CC2	REAL300005297197	1	45	0.0	-65.00	351.13	6.58	-58.42
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)CC2	REAL300005297198	1	47	0.0	-73.34	376.81	9.95	-63.39
CC1CC1(C(=O)[O-])C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297199	1	43	0.0	-61.58	335.50	7.63	-53.95
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)CC2	REAL300005297200	1	50	0.0	-61.00	370.60	9.01	-51.99
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=C(C(=O)[O-])C=NN1C)CC2	REAL300005297201	1	43	0.0	-63.17	350.02	6.07	-57.10
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CS3)CC2	REAL300005297202	1	44	0.0	-60.45	365.03	7.95	-52.50
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC3=C(C=C(C(=O)[O-])S3)N1)CC2	REAL300005297203	1	44	0.0	-69.55	365.25	8.07	-61.48
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CO3)CC2	REAL300005297204	1	44	0.0	-61.64	356.35	7.09	-54.55
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297205	1	46	0.0	-76.94	354.50	8.80	-68.14
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)CC2	REAL300005297206	1	46	0.0	-74.09	372.95	8.16	-65.93
C=C1CCC1(C(=O)[O-])C(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297207	1	44	0.0	-53.16	334.30	7.50	-45.66
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC(C(=O)[O-])=CS1)CC2	REAL300005297208	1	40	0.0	-74.03	334.06	7.41	-66.62
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])CC2	REAL300005297209	1	48	0.0	-76.45	362.93	7.07	-69.38
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)CC2	REAL300005297210	1	49	0.0	-75.94	380.40	10.38	-65.56
CC(C)[C@]1(C(=O)N2CCC3=CC=[NH+]C(N(C)C)=C3C2)C[C@H]1C(=O)[O-]	REAL300005297211	1	49	0.0	-53.91	360.74	8.20	-45.71
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1	REAL300005297212	1	49	0.0	-84.53	384.71	9.90	-74.63
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CC1=CC(C(=O)[O-])=CS1)CC2	REAL300005297213	1	43	0.0	-78.31	359.56	8.57	-69.74
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)CC2	REAL300005297214	1	46	0.0	-85.43	372.57	9.47	-75.96
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)CC2	REAL300005297215	1	46	0.0	-72.94	349.39	8.27	-64.67
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=C3CCCCC3=C(C(=O)[O-])S1)CC2	REAL300005297216	1	50	0.0	-65.38	390.80	9.97	-55.41
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)CC2	REAL300005297217	1	53	0.0	-72.02	375.84	8.98	-63.04
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005297218	1	44	0.0	-75.29	342.35	7.43	-67.86
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300005297219	1	48	0.0	-77.05	374.52	7.71	-69.34
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300005297220	1	44	0.0	-81.52	341.62	7.39	-74.13
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C(=O)[O-])S1	REAL300005297221	1	41	0.0	-73.60	334.84	6.47	-67.13
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300005297222	1	43	0.0	-65.72	340.72	6.69	-59.03
CC(SC1=CC=CC=C1C(=O)N(C)CCC[NH+]1CCOCC1)C(=O)[O-]	REAL300005297223	1	51	0.0	-71.36	399.64	9.20	-62.16
CCOC1=CC(C(=O)N(C)CCC[NH+]2CCOCC2)=CC=C1OCC(=O)[O-]	REAL300005297224	1	55	0.0	-80.33	425.54	8.39	-71.94
CN(CCC[NH+]1CCOCC1)C(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005297225	1	50	0.0	-79.20	391.56	9.32	-69.88
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300005297226	1	43	0.0	-84.16	337.60	5.66	-78.50
CN(CCC[NH+]1CCOCC1)C(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005297227	1	48	0.0	-78.62	379.19	9.00	-69.62
CN(CCC[NH+]1CCOCC1)C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005297228	1	52	0.0	-76.33	424.22	4.17	-72.16
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005297229	1	46	0.0	-65.31	369.78	8.07	-57.24
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005297230	1	46	0.0	-65.31	369.78	8.07	-57.24
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N(C)CCC[NH+]2CCOCC2)C=C1	REAL300005297231	1	54	0.0	-79.34	418.44	9.00	-70.34
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005297232	1	51	0.0	-82.04	398.59	8.48	-73.56
CN(CCC[NH+]1CCOCC1)C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005297233	1	50	0.0	-74.72	383.02	9.04	-65.68
CC1=CC(C(=O)N(C)CCC[NH+]2CCOCC2)=CC(C)=C1OCC(=O)[O-]	REAL300005297234	1	54	0.0	-76.87	418.55	9.25	-67.62
CN(CCC[NH+]1CCOCC1)C(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300005297235	1	47	0.0	-77.15	370.17	8.49	-68.66
CN(CCC[NH+]1CCOCC1)C(=O)C1CCCC(C(=O)[O-])C1	REAL300005297236	1	50	0.0	-81.00	368.26	7.83	-73.17
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300005297237	1	43	0.0	-78.24	339.11	5.65	-72.59
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005297238	1	43	0.0	-67.46	340.00	6.71	-60.75
CN(CCC[NH+]1CCOCC1)C(=O)CC(C)(C)CC(=O)[O-]	REAL300005297239	1	49	0.0	-71.78	354.39	7.25	-64.53
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300005297240	1	44	0.0	-72.77	350.25	7.52	-65.25
CN(CCC[NH+]1CCOCC1)C(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300005297241	1	42	0.0	-69.96	335.97	4.80	-65.16
CN(CCC[NH+]1CCOCC1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300005297242	1	50	0.0	-73.58	366.97	7.80	-65.78
CN(CCC[NH+]1CCOCC1)C(=O)C1CCC(C(=O)[O-])CC1	REAL300005297243	1	50	0.0	-74.74	366.70	7.75	-66.99
CN(CCC[NH+]1CCOCC1)C(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300005297244	1	47	0.0	-83.24	370.16	8.50	-74.74
CN(CCC[NH+]1CCOCC1)C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300005297245	1	43	0.0	-84.30	347.32	4.44	-79.86
CC1=NC(C(=O)N(C)CCC[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300005297246	1	46	0.0	-67.73	356.63	7.17	-60.56
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300005297247	1	44	0.0	-75.42	362.90	8.01	-67.41
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005297248	1	44	0.0	-75.29	342.35	7.43	-67.86
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005297249	1	47	0.0	-73.98	363.79	8.18	-65.80
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300005297250	1	54	0.0	-78.99	413.12	11.67	-67.32
CN(CCC[NH+]1CCOCC1)C(=O)C1=C(CC(=O)[O-])OC=C1	REAL300005297251	1	44	0.0	-77.14	342.80	6.42	-70.72
CC1=COC(CC(=O)[O-])=C1C(=O)N(C)CCC[NH+]1CCOCC1	REAL300005297252	1	47	0.0	-71.25	375.16	7.33	-63.92
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300005297253	1	43	0.0	-72.88	340.18	6.73	-66.15
CN(CCC[NH+]1CCOCC1)C(=O)CC1CCC(C(=O)[O-])CC1	REAL300005297254	1	53	0.0	-74.34	383.15	8.57	-65.77
CN(CCC[NH+]1CCOCC1)C(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300005297255	1	51	0.0	-80.63	370.64	7.87	-72.76
CN(CCC[NH+]1CCOCC1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005297256	1	54	0.0	-77.49	379.88	8.16	-69.33
CN(CCC[NH+]1CCOCC1)C(=O)CC(C)(C)CC(=O)[O-]	REAL300005297257	1	49	0.0	-71.78	354.39	7.25	-64.53
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005297258	1	46	0.0	-87.28	369.88	6.77	-80.51
CN(CCC[NH+]1CCOCC1)C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005297259	1	51	0.0	-79.91	401.08	8.12	-71.79
CN(CCC[NH+]1CCOCC1)C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005297260	1	57	0.0	-73.11	424.76	10.75	-62.36
CC1=C(C(=O)N(C)CCC[NH+]2CCOCC2)C=C(C(=O)[O-])O1	REAL300005297261	1	44	0.0	-70.73	343.55	6.66	-64.07
CC1=C(C(=O)[O-])OC(C(=O)N(C)CCC[NH+]2CCOCC2)=C1	REAL300005297262	1	44	0.0	-67.26	347.11	6.84	-60.42
CN(CCC[NH+]1CCOCC1)C(=O)CN1C=C(C(=O)[O-])C=N1	REAL300005297263	1	44	0.0	-80.99	352.24	5.92	-75.07
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300005297264	1	45	0.0	-70.13	362.29	7.48	-62.65
CN(CCC[NH+]1CCOCC1)C(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300005297265	1	51	0.0	-60.03	375.12	8.15	-51.88
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005297266	1	48	0.0	-74.66	372.61	7.70	-66.96
CN(CCC[NH+]1CCOCC1)C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005297267	1	53	0.0	-87.82	412.89	8.33	-79.49
CN(CCC[NH+]1CCOCC1)C(=O)CCSCC(=O)[O-]	REAL300005297268	1	44	0.0	-71.65	355.06	7.01	-64.64
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005297269	1	43	0.0	-67.46	340.00	6.71	-60.75
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300005297270	1	44	0.0	-76.10	342.94	5.17	-70.93
C[C@@H]1C[C@H](C(=O)N(C)CCC[NH+]2CCOCC2)O[C@H]1C(=O)[O-]	REAL300005297271	1	48	0.0	-82.15	364.09	7.19	-74.96
CN(CCC[NH+]1CCOCC1)C(=O)C(C)(C)CCC(=O)[O-]	REAL300005297272	1	49	0.0	-76.90	355.01	6.88	-70.02
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300005297273	1	47	0.0	-70.75	363.78	8.19	-62.56
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005297274	1	48	0.0	-76.68	373.71	8.70	-67.98
CN(CCC[NH+]1CCOCC1)C(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300005297275	1	45	0.0	-75.07	363.70	7.24	-67.83
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300005297276	1	50	0.0	-69.30	382.29	8.96	-60.34
CN(CCC[NH+]1CCOCC1)C(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300005297277	1	47	0.0	-84.92	378.26	3.59	-81.33
CN(CCC[NH+]1CCOCC1)C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300005297278	1	45	0.0	-72.71	365.27	7.61	-65.10
CC1=CC=C(C(=O)N(C)CCC[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300005297279	1	47	0.0	-80.40	357.76	7.94	-72.46
CN(CCC[NH+]1CCOCC1)C(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300005297280	1	43	0.0	-74.14	337.43	5.55	-68.59
CC1=NC=C(C(=O)[O-])C=C1C(=O)N(C)CCC[NH+]1CCOCC1	REAL300005297281	1	46	0.0	-68.73	357.98	6.31	-62.42
CN(CCC[NH+]1CCOCC1)C(=O)CN1C=CC(C(=O)[O-])=N1	REAL300005297282	1	44	0.0	-91.18	351.57	5.95	-85.23
CN(CCC[NH+]1CCOCC1)C(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005297283	1	50	0.0	-89.57	395.18	7.36	-82.21
CN(CCC[NH+]1CCOCC1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005297284	1	51	0.0	-79.56	386.53	7.64	-71.92
CN(CCC[NH+]1CCOCC1)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300005297285	1	51	0.0	-72.58	388.03	6.60	-65.98
CC1=C(C(=O)N(C)CCC[NH+]2CCOCC2)OC(C(=O)[O-])=C1	REAL300005297286	1	44	0.0	-67.55	346.91	6.95	-60.60
CN(CCC[NH+]1CCOCC1)C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300005297287	1	52	0.0	-51.57	375.20	9.10	-42.47
CN(CCC[NH+]1CCOCC1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300005297288	1	50	0.0	-76.43	353.70	8.26	-68.17
CN(CCCN1CCOCC1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005297289	0	52	0.0	-49.41	378.51	5.73	-43.68
CN(CCCN1CCOCC1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005297289	1	52	0.0	-49.11	378.62	5.77	-43.34
CN(CCC[NH+]1CCOCC1)C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300005297290	1	51	0.0	-64.40	389.84	9.28	-55.12
CN(CCC[NH+]1CCOCC1)C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005297291	1	51	0.0	-79.91	401.08	8.12	-71.79
CN(CCC[NH+]1CCOCC1)C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300005297292	1	51	0.0	-89.12	403.24	9.90	-79.22
CN(CCC[NH+]1CCOCC1)C(=O)C1CC2(CC2C(=O)[O-])C1	REAL300005297293	1	48	0.0	-77.36	363.05	8.94	-68.42
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N(C)CCC[NH+]1CCOCC1	REAL300005297294	1	50	0.0	-71.98	375.14	8.68	-63.30
CC1=CC=C(C(=O)[O-])C=C1C(=O)N(C)CCC[NH+]1CCOCC1	REAL300005297295	1	47	0.0	-72.67	363.30	8.06	-64.61
CN(CCC[NH+]1CCOCC1)C(=O)C1=C(C(=O)[O-])SC=C1	REAL300005297296	1	41	0.0	-69.67	332.32	7.39	-62.28
CC1=C(C(=O)[O-])C=NC=C1C(=O)N(C)CCC[NH+]1CCOCC1	REAL300005297297	1	46	0.0	-71.49	352.93	6.13	-65.36
CC1=CC(C(=O)[O-])=CC=C1C(=O)N(C)CCC[NH+]1CCOCC1	REAL300005297298	1	47	0.0	-75.87	362.70	8.04	-67.83
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300005297299	1	44	0.0	-72.15	358.98	7.94	-64.21
CN(CCC[NH+]1CCOCC1)C(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300005297300	1	51	0.0	-76.41	386.04	8.66	-67.75
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)CCC[NH+]2CCOCC2)=C1	REAL300005297301	1	47	0.0	-63.72	370.45	6.01	-57.71
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C(=O)[O-])N1C	REAL300005297302	1	45	0.0	-75.72	343.36	6.70	-69.02
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300005297303	1	50	0.0	-73.57	385.18	9.00	-64.57
CC1=NNC(C(=O)N(C)CCC[NH+]2CCOCC2)=C1C(=O)[O-]	REAL300005297304	1	44	0.0	-68.49	347.71	4.38	-64.11
CN(CCC[NH+]1CCOCC1)C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300005297305	1	48	0.0	-74.05	378.01	8.25	-65.80
CN(CCC[NH+]1CCOCC1)C(=O)C1=CSC(C(=O)[O-])=N1	REAL300005297306	1	40	0.0	-63.23	332.32	5.56	-57.67
CC1=C(C(=O)N(C)CCC[NH+]2CCOCC2)C=C(C(=O)[O-])S1	REAL300005297307	1	44	0.0	-68.47	350.29	7.28	-61.19
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005297308	1	44	0.0	-80.46	370.36	7.88	-72.58
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)CCC[NH+]2CCOCC2)=C1	REAL300005297309	1	48	0.0	-72.10	384.57	7.10	-65.00
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)CCC[NH+]1CCOCC1	REAL300005297310	1	47	0.0	-65.80	369.66	8.06	-57.74
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300005297311	1	47	0.0	-85.36	375.71	8.58	-76.78
CN(CCC[NH+]1CCOCC1)C(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300005297312	1	49	0.0	-71.67	379.05	7.30	-64.37
CN(CCC[NH+]1CCOCC1)C(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300005297313	1	46	0.0	-69.96	353.17	5.70	-64.26
CN(CCC[NH+]1CCOCC1)C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300005297314	1	48	0.0	-78.66	379.20	9.00	-69.66
CN(CCC[NH+]1CCOCC1)C(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300005297315	1	51	0.0	-60.03	375.12	8.15	-51.88
CN(CCC[NH+]1CCOCC1)C(=O)C1=C(C(=O)[O-])C=NN1C	REAL300005297316	1	44	0.0	-75.41	352.49	5.21	-70.20
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300005297317	1	45	0.0	-69.85	366.12	7.09	-62.76
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300005297318	1	45	0.0	-77.89	366.32	7.21	-70.68
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300005297319	1	45	0.0	-71.03	357.46	6.23	-64.80
CC1=C(C(=O)[O-])C=CC=C1C(=O)N(C)CCC[NH+]1CCOCC1	REAL300005297320	1	47	0.0	-75.48	357.51	7.94	-67.54
CN(CCC[NH+]1CCOCC1)C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300005297321	1	47	0.0	-80.25	374.98	7.22	-73.03
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC(C(=O)[O-])=CS1	REAL300005297322	1	41	0.0	-83.19	333.77	6.34	-76.85
CN(CCC[NH+]1CCOCC1)C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300005297323	1	49	0.0	-59.40	363.48	6.58	-52.82
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300005297324	1	50	0.0	-79.06	382.90	9.54	-69.52
CC(C)[C@]1(C(=O)N(C)CCC[NH+]2CCOCC2)C[C@H]1C(=O)[O-]	REAL300005297325	1	50	0.0	-66.25	366.89	7.49	-58.76
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)CCC[NH+]1CCOCC1	REAL300005297326	1	50	0.0	-84.14	386.61	8.96	-75.18
CN(CCC[NH+]1CCOCC1)C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300005297327	1	44	0.0	-82.11	361.44	7.63	-74.48
CN(CCC[NH+]1CCOCC1)C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300005297328	1	47	0.0	-86.43	374.72	8.54	-77.89
CN(CCC[NH+]1CCOCC1)C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300005297329	1	51	0.0	-74.90	389.44	8.85	-66.05
CN(CCC[NH+]1CCOCC1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005297330	1	54	0.0	-77.49	379.88	8.16	-69.33
CN(CC1CCSCC1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005297374	0	47	0.0	-48.50	353.35	9.44	-39.06
CN(CC1CCSCC1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005297374	1	47	0.0	-49.28	353.24	9.45	-39.83
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=C3)C3=CN=CC=C32)CC1	REAL300005297407	0	51	0.0	-79.92	402.31	9.33	-70.59
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC(C(=O)[O-])=C3)C3=CN=CC=C32)CC1	REAL300005297408	0	51	0.0	-84.99	401.38	9.30	-75.69
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])S3)C3=CN=CC=C32)CC1	REAL300005297409	0	48	0.0	-76.24	395.65	8.46	-67.78
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC(C(=O)[O-])=N3)C3=CN=CC=C32)CC1	REAL300005297410	0	50	0.0	-80.04	399.48	7.56	-72.48
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=NC(C(=O)[O-])=C3)C3=CN=CC=C32)CC1	REAL300005297411	0	50	0.0	-87.53	398.41	7.55	-79.98
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])O3)C3=CN=CC=C32)CC1	REAL300005297412	0	48	0.0	-75.85	388.75	7.72	-68.13
C[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CC3)C3=CN=CC=C32)CC1	REAL300005297413	0	48	0.0	-71.97	374.22	7.82	-64.15
C[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CC3)C3=CN=CC=C32)CC1	REAL300005297414	0	48	0.0	-71.97	374.22	7.82	-64.15
C[NH+]1CCN(C2=CC=C(NC(=O)C3CCCC(C(=O)[O-])C3)C3=CN=CC=C32)CC1	REAL300005297415	0	57	0.0	-82.78	427.24	9.50	-73.28
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])N=C3)C3=CN=CC=C32)CC1	REAL300005297416	0	50	0.0	-80.58	397.21	7.49	-73.09
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=N3)C3=CN=CC=C32)CC1	REAL300005297417	0	50	0.0	-73.72	398.75	7.56	-66.16
C[NH+]1CCN(C2=CC=C(NC(=O)CC(C)(C)CC(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297418	0	56	0.0	-76.88	410.53	8.72	-68.16
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CN=C(C(=O)[O-])C=N3)C3=CN=CC=C32)CC1	REAL300005297419	0	49	0.0	-74.87	394.33	5.70	-69.17
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C3=CN=CC=C32)CC1	REAL300005297420	0	57	0.0	-79.66	428.27	9.54	-70.12
C[NH+]1CCN(C2=CC=C(NC(=O)C3CCC(C(=O)[O-])CC3)C3=CN=CC=C32)CC1	REAL300005297421	0	57	0.0	-79.68	428.26	9.54	-70.14
C[NH+]1CCN(C2=CC=C(NC(=O)CN3C=C(C(=O)[O-])N=N3)C3=CN=CC=C32)CC1	REAL300005297422	0	50	0.0	-88.22	403.18	5.94	-82.28
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=C3)C3=CN=CC=C32)CC1	REAL300005297423	0	51	0.0	-79.92	402.31	9.33	-70.59
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C3=CN=CC=C32)CC1	REAL300005297424	0	54	0.0	-81.73	408.76	8.86	-72.87
C[NH+]1CCN(C2=CC=C(NC(=O)C3=C(CC(=O)[O-])OC=C3)C3=CN=CC=C32)CC1	REAL300005297425	0	51	0.0	-80.92	404.79	8.22	-72.70
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C(=O)[O-])=CC=N3)C3=CN=CC=C32)CC1	REAL300005297426	0	50	0.0	-76.93	398.96	7.56	-69.37
C[NH+]1CCN(C2=CC=C(NC(=O)C34CC(C(=O)[O-])(C3)C4)C3=CN=CC=C32)CC1	REAL300005297427	0	52	0.0	-78.11	404.80	8.85	-69.26
C[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CCC3)C3=CN=CC=C32)CC1	REAL300005297428	0	51	0.0	-71.26	388.18	8.25	-63.01
C[NH+]1CCN(C2=CC=C(NC(=O)C(C)(C)C(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297429	0	50	0.0	-80.90	382.25	8.39	-72.51
C[NH+]1CCN(C2=CC=C(NC(=O)CC(C)(C)CC(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297430	0	56	0.0	-76.88	410.53	8.72	-68.16
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297431	0	50	0.0	-79.97	388.17	7.89	-72.08
CC(CC(=O)[O-])CC(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297432	0	53	0.0	-78.66	400.77	8.34	-70.32
C[NH+]1CCN(C2=CC=C(NC(=O)C3=NOC(C(=O)[O-])=C3)C3=CN=CC=C32)CC1	REAL300005297433	0	47	0.0	-70.70	382.23	6.85	-63.85
C[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CCCC3)C3=CN=CC=C32)CC1	REAL300005297434	0	54	0.0	-72.43	405.56	8.89	-63.54
CC1=C(C(=O)NC2=CC=C(N3CC[NH+](C)CC3)C3=CC=NC=C23)C=C(C(=O)[O-])O1	REAL300005297435	0	51	0.0	-78.58	405.47	8.45	-70.13
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC=C(N3CC[NH+](C)CC3)C3=CC=NC=C23)=C1	REAL300005297436	0	51	0.0	-76.07	405.70	8.28	-67.79
C[NH+]1CCN(C2=CC=C(NC(=O)CN3C=C(C(=O)[O-])C=N3)C3=CN=CC=C32)CC1	REAL300005297437	0	51	0.0	-85.26	408.12	7.43	-77.83
C[NH+]1CCN(C2=CC=C(NC(=O)CCSCC(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297438	0	51	0.0	-76.83	411.20	8.48	-68.35
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=N3)C3=CN=CC=C32)CC1	REAL300005297439	0	50	0.0	-73.72	398.75	7.56	-66.16
C[NH+]1CCN(C2=CC=C(NC(=O)COCC(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297440	0	48	0.0	-81.91	380.30	7.05	-74.86
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297441	0	51	0.0	-85.72	401.93	7.14	-78.58
C[C@@H]1C[C@H](C(=O)NC2=CC=C(N3CC[NH+](C)CC3)C3=CC=NC=C23)O[C@H]1C(=O)[O-]	REAL300005297442	0	55	0.0	-83.07	423.69	8.68	-74.39
C[NH+]1CCN(C2=CC=C(NC(=O)C(C)(C)CCC(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297443	0	56	0.0	-80.60	419.38	8.83	-71.77
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C3=CN=CC=C32)CC1	REAL300005297444	0	54	0.0	-81.73	408.76	8.86	-72.87
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CN=CC(C(=O)[O-])=C3)C3=CN=CC=C32)CC1	REAL300005297445	0	50	0.0	-78.15	396.54	7.48	-70.67
C[NH+]1CCN(C2=CC=C(NC(=O)CN3C=CC(C(=O)[O-])=N3)C3=CN=CC=C32)CC1	REAL300005297446	0	51	0.0	-93.64	407.45	7.46	-86.18
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297447	0	51	0.0	-76.17	387.25	8.35	-67.82
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297448	0	51	0.0	-76.17	387.25	8.35	-67.82
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297449	0	48	0.0	-78.97	374.88	7.68	-71.29
CC1=C(C(=O)NC2=CC=C(N3CC[NH+](C)CC3)C3=CC=NC=C23)OC(C(=O)[O-])=C1	REAL300005297450	0	51	0.0	-76.54	406.54	8.40	-68.14
CCC(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297451	0	50	0.0	-69.90	380.06	7.90	-62.00
CC(C)C(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297452	0	53	0.0	-73.09	403.10	8.32	-64.77
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297453	0	57	0.0	-80.28	415.53	9.93	-70.35
C[NH+]1CCN(C2=CC=C(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297454	0	48	0.0	-76.76	378.71	7.84	-68.92
C[NH+]1CCN(C2=CC=C(NC(=O)C3CC4(CC4C(=O)[O-])C3)C3=CN=CC=C32)CC1	REAL300005297455	0	55	0.0	-77.60	423.75	9.64	-67.96
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C3=CN=CC=C32)CC1	REAL300005297456	0	51	0.0	-82.52	387.81	7.82	-74.70
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297457	0	57	0.0	-85.40	431.77	10.39	-75.01
C[NH+]1CCN(C2=CC=C(NC(=O)C3CC(C)(C(=O)[O-])C3)C3=CN=CC=C32)CC1	REAL300005297458	0	54	0.0	-74.76	410.49	8.70	-66.06
C[NH+]1CCN(C2=CC=C(NC(=O)C3=C(C(=O)[O-])SC=C3)C3=CN=CC=C32)CC1	REAL300005297459	0	48	0.0	-83.28	388.01	9.12	-74.16
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C(=O)[O-])=NN3)C3=CN=CC=C32)CC1	REAL300005297460	0	48	0.0	-81.87	385.24	5.71	-76.16
CCCC(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297461	0	53	0.0	-69.98	401.55	8.67	-61.31
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297462	0	52	0.0	-76.16	401.97	8.69	-67.47
C[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CC=CC3)C3=CN=CC=C32)CC1	REAL300005297463	0	52	0.0	-72.59	398.11	8.76	-63.83
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=C(N3CC[NH+](C)CC3)C3=CC=NC=C23)=NN1	REAL300005297464	0	51	0.0	-82.32	399.28	7.11	-75.21
C[NH+]1CCN(C2=CC=C(NC(=O)CC3(CC(=O)[O-])CC3)C3=CN=CC=C32)CC1	REAL300005297465	0	54	0.0	-76.04	411.99	9.06	-66.98
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CSC(C(=O)[O-])=N3)C3=CN=CC=C32)CC1	REAL300005297466	0	47	0.0	-75.34	391.03	6.42	-68.92
COC(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297467	0	48	0.0	-73.52	377.71	6.88	-66.64
C[NH+]1CCN(C2=CC=C(NC(=O)[C@@]3(C)C[C@H]3C(=O)[O-])C3=CN=CC=C32)CC1	REAL300005297468	0	51	0.0	-85.25	391.93	9.27	-75.98
C[NH+]1CCN(C2=CC=C(NC(=O)C34CC(C(=O)[O-])(C3)CO4)C3=CN=CC=C32)CC1	REAL300005297469	0	53	0.0	-74.73	412.13	6.91	-67.82
CC(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297470	0	47	0.0	-79.15	363.24	7.87	-71.28
CC1CC1(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297471	0	51	0.0	-71.93	392.36	8.43	-63.50
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297472	0	51	0.0	-83.36	395.62	7.87	-75.49
C=C1CCC1(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C2=CC=NC=C12	REAL300005297473	0	52	0.0	-72.60	402.37	8.75	-63.85
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C(=O)[O-])=CS3)C3=CN=CC=C32)CC1	REAL300005297474	0	48	0.0	-81.31	394.59	8.31	-73.00
CC(C)[C@]1(C(=O)NC2=CC=C(N3CC[NH+](C)CC3)C3=CC=NC=C23)C[C@H]1C(=O)[O-]	REAL300005297475	0	57	0.0	-79.41	422.60	8.84	-70.57
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)C3=CN=CC=C32)CC1	REAL300005297476	0	54	0.0	-78.94	408.01	8.81	-70.13
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005297520	0	43	0.0	-47.90	333.68	7.89	-40.01
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005297520	1	43	0.0	-48.70	334.53	8.35	-40.35
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3CCCS3(=O)=O)C=N2)C1	REAL300005297627	1	48	0.0	-66.99	385.19	5.57	-61.42
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3CCCS3(=O)=O)C=N2)C1	REAL300005297627	1	48	0.0	-66.05	384.03	5.54	-60.51
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005298986	0	51	0.0	-81.20	378.34	11.22	-69.98
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005299768	0	48	0.0	-64.03	365.54	11.13	-52.90
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005299768	1	48	0.0	-67.34	361.92	10.94	-56.40
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300005300552	1	48	0.0	-68.05	374.55	10.89	-57.16
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300005300552	1	48	0.0	-55.92	372.00	11.03	-44.89
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1COCC[N@@H+]1C1CCCC1	REAL300005300629	1	49	0.0	-67.64	345.91	7.90	-59.74
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1COCC[N@H+]1C1CCCC1	REAL300005300629	1	49	0.0	-60.66	350.53	7.96	-52.70
CC1=[NH+]C=C2CCC(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)CN12	REAL300005300634	1	43	0.0	-68.12	325.86	8.76	-59.36
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005300635	0	51	0.0	-71.76	380.24	11.12	-60.64
CC1=NC(C[NH+]2CCC(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)CC2)=CS1	REAL300005300700	1	50	0.0	-83.63	385.69	8.98	-74.65
C[NH+](C)CCOC1=CC=C(CCC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=C1	REAL300005300773	0	54	0.0	-84.21	417.15	11.32	-72.89
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=C1	REAL300005300787	0	54	0.0	-87.19	414.42	13.22	-73.97
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=C1	REAL300005300787	1	54	0.0	-84.17	414.42	13.23	-70.94
CC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005300788	0	54	0.0	-74.55	388.14	11.56	-62.99
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005300830	0	51	0.0	-73.23	388.55	11.27	-61.96
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005300830	1	51	0.0	-61.87	390.10	11.21	-50.66
C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)CCCCC1	REAL300005300867	0	50	0.0	-55.16	327.42	9.13	-46.03
C[N@H+](CCC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)C1CCCCC1	REAL300005300870	0	50	0.0	-72.40	360.40	9.93	-62.47
C[N@@H+](CCC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)C1CCCCC1	REAL300005300870	1	50	0.0	-71.31	360.33	9.93	-61.38
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005300894	1	51	0.0	-58.93	387.06	11.72	-47.21
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005300894	1	51	0.0	-70.34	385.95	11.49	-58.85
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005300895	0	48	0.0	-68.82	364.23	10.44	-58.38
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005300895	1	48	0.0	-56.54	361.68	10.58	-45.96
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005300950	0	44	0.0	-90.34	348.99	8.77	-81.57
C[NH+](C)CCN1N=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=C1C1=CC=CC=C1	REAL300005300955	0	54	0.0	-85.30	418.62	10.80	-74.50
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005300981	0	51	0.0	-60.00	358.89	10.32	-49.68
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005300981	1	51	0.0	-61.83	352.01	10.17	-51.66
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005300982	0	52	0.0	-82.69	369.39	8.31	-74.38
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC[NH+]1CCOCC1	REAL300005301010	1	48	0.0	-79.77	361.32	8.18	-71.59
CC[N@H+](CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=C1)C(C)C	REAL300005301011	0	53	0.0	-88.03	383.55	11.11	-76.92
CC[N@@H+](CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=C1)C(C)C	REAL300005301011	1	53	0.0	-83.89	378.04	10.85	-73.04
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005301034	0	48	0.0	-73.22	362.49	10.81	-62.41
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005301034	1	48	0.0	-71.16	365.31	10.95	-60.21
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005301035	0	49	0.0	-85.34	362.60	10.18	-75.16
C[NH+]1CCN(C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C2=CC=CC=C2)CC1	REAL300005301057	1	53	0.0	-70.00	389.73	8.90	-61.10
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005301058	0	52	0.0	-71.84	359.89	8.44	-63.40
CC(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[N@H+](C)CC1=CC=CC=C1	REAL300005301061	0	47	0.0	-61.86	356.85	10.51	-51.35
CC(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[N@@H+](C)CC1=CC=CC=C1	REAL300005301061	1	47	0.0	-61.66	356.45	10.52	-51.14
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005301071	0	54	0.0	-77.20	401.56	12.12	-65.08
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005301071	1	54	0.0	-74.55	401.55	12.12	-62.43
C[NH+](C)CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=N1	REAL300005301102	0	43	0.0	-90.46	333.45	8.15	-82.31
CCC[NH+](CCC)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301113	0	52	0.0	-73.55	385.64	10.82	-62.73
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005301114	0	52	0.0	-65.86	389.93	8.41	-57.45
CC[N@H+](C)C(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)C1=CC=CC=C1	REAL300005301115	0	47	0.0	-66.77	348.34	10.49	-56.28
CC[N@@H+](C)C(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)C1=CC=CC=C1	REAL300005301115	1	47	0.0	-63.50	350.31	10.50	-53.00
CC[NH+](CC)C(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)C1=CC=CC=C1	REAL300005301120	0	50	0.0	-66.66	362.82	10.77	-55.89
C[NH+](C)C(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)C1=CC=C(Cl)C=C1	REAL300005301126	1	44	0.0	-58.12	349.25	10.37	-47.75
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005301140	0	48	0.0	-89.89	362.64	10.75	-79.14
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005301147	0	51	0.0	-78.96	379.28	11.47	-67.49
CCC(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[N@@H+]1CCOC(CC)C1	REAL300005301150	1	51	0.0	-61.93	365.50	8.21	-53.72
CCC(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[N@H+]1CCOC(CC)C1	REAL300005301150	1	51	0.0	-65.37	359.53	8.21	-57.16
CCN1CCC([NH+]2CCC(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)CC2)CC1	REAL300005301153	0	59	0.0	-80.99	412.43	8.99	-72.00
CC1C[NH+](CC2=CC=C(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)C=C2)CC(C)O1	REAL300005301160	1	55	0.0	-94.42	406.31	10.54	-83.88
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005301169	1	52	0.0	-84.25	389.46	10.83	-73.42
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005301169	1	52	0.0	-80.46	397.40	11.14	-69.32
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005301184	0	51	0.0	-58.41	379.19	11.40	-47.01
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005301184	1	51	0.0	-66.52	380.68	11.67	-54.85
CC1=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=NN1C1=CC=[NH+]C=C1	REAL300005301186	1	42	0.0	-85.46	334.55	8.10	-77.36
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005301194	0	51	0.0	-92.12	379.28	11.48	-80.64
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005301205	1	44	0.0	-80.83	343.87	8.93	-71.90
C[NH+](C)CCC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=C1	REAL300005301206	0	47	0.0	-95.87	360.22	10.47	-85.40
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301220	0	58	0.0	-63.87	424.81	12.47	-51.40
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301220	1	58	0.0	-60.77	417.58	12.15	-48.62
CC(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005301229	0	57	0.0	-67.19	418.85	12.73	-54.46
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301263	0	47	0.0	-66.57	362.56	11.03	-55.54
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301263	1	47	0.0	-66.89	361.07	10.75	-56.14
COCCOCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301264	0	51	0.0	-72.18	390.05	6.94	-65.24
COCCOCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301264	1	51	0.0	-71.54	390.10	6.94	-64.60
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005301274	0	56	0.0	-77.90	417.46	10.72	-67.18
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300005301275	1	50	0.0	-67.63	360.12	9.42	-58.21
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300005301275	1	50	0.0	-61.73	362.75	9.27	-52.46
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300005301276	1	50	0.0	-57.43	375.64	9.85	-47.58
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300005301276	1	50	0.0	-67.24	375.25	9.81	-57.43
CC(C)[NH+]1CCN(CCC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)CC1	REAL300005301310	0	52	0.0	-74.88	377.37	7.51	-67.37
CC(C)[NH+]1CCN(CCCC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)CC1	REAL300005301311	0	55	0.0	-78.05	396.00	8.32	-69.73
CC(C)N1CC[NH+](CCCC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)CC1	REAL300005301311	1	55	0.0	-73.97	399.22	8.55	-65.42
C[NH+](C)CCN1C=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=N1	REAL300005301313	0	44	0.0	-83.40	341.15	7.46	-75.94
CC1=CC=CC(N2CC[NH+](CCC(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)CC2)=C1	REAL300005301318	0	56	0.0	-74.41	417.23	10.58	-63.83
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005301320	0	53	0.0	-74.18	395.85	9.92	-64.26
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005301324	0	50	0.0	-67.38	368.58	9.81	-57.57
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005301324	1	50	0.0	-71.75	374.61	9.65	-62.10
CC(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005301329	0	48	0.0	-65.17	354.42	10.82	-54.35
CC(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[N@H+]1CCC2=CC=CC=C2C1	REAL300005301329	1	48	0.0	-64.77	352.95	10.54	-54.23
CC(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300005301331	1	53	0.0	-64.21	396.87	9.73	-54.48
CCC(CC)C(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[NH+]1CCOCC1	REAL300005301344	1	54	0.0	-52.68	364.58	8.34	-44.34
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005301357	0	51	0.0	-78.13	385.40	11.75	-66.38
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005301357	1	51	0.0	-77.78	388.76	11.81	-65.97
C[NH+](C)CCN1C=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=N1	REAL300005301369	0	44	0.0	-93.16	344.22	8.25	-84.91
C[NH+](C)CCN1N=CC=C1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301370	0	44	0.0	-56.29	337.96	7.77	-48.52
CCC1=[NH+]C=CN1C(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301375	1	45	0.0	-66.52	349.37	9.83	-56.69
C[N@@H+]1CCCC1C1=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=NN1	REAL300005301378	1	45	0.0	-84.39	345.31	7.82	-76.57
C[N@H+]1CCCC1C1=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=NN1	REAL300005301378	1	45	0.0	-82.12	339.66	7.44	-74.68
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005301389	0	51	0.0	-74.98	386.45	11.57	-63.41
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005301389	1	51	0.0	-73.74	386.23	11.57	-62.17
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300005301390	1	47	0.0	-67.29	355.51	9.02	-58.27
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300005301390	1	47	0.0	-58.66	351.15	8.69	-49.97
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005301394	0	52	0.0	-73.50	393.59	9.34	-64.16
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005301436	0	51	0.0	-69.04	363.43	10.03	-59.01
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005301436	1	51	0.0	-72.24	363.97	10.07	-62.17
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300005301456	0	56	0.0	-72.30	411.45	10.34	-61.96
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300005301456	1	56	0.0	-67.42	413.69	10.68	-56.74
CC(C)(C[NH+]1CCOCC1)C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301463	0	48	0.0	-71.26	337.74	7.18	-64.08
CC(C)[N@@H+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C(C2=CN(C)N=C2)C1	REAL300005301466	0	57	0.0	-76.77	417.12	10.32	-66.45
CC(C)[N@H+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C(C2=CN(C)N=C2)C1	REAL300005301466	1	57	0.0	-79.18	410.13	9.81	-69.37
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=N1	REAL300005301467	0	51	0.0	-80.04	382.75	9.13	-70.91
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=N1	REAL300005301467	1	51	0.0	-81.58	375.19	8.68	-72.90
C[NH+]1CCN(CC2=CC=CC(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)=C2)CC1	REAL300005301473	0	53	0.0	-77.15	396.34	9.05	-68.10
C[NH+]1CCN(CC2=CC=C(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)C=C2)CC1	REAL300005301474	0	53	0.0	-86.19	396.75	9.07	-77.12
CN1CC[NH+](CC2=CC=C(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)C=C2)CC1	REAL300005301474	1	53	0.0	-92.89	395.81	8.93	-83.96
CC[NH+](CC)CCOC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=C1	REAL300005301475	0	54	0.0	-68.94	402.06	10.74	-58.20
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005301570	0	55	0.0	-94.56	411.63	8.81	-85.75
C[NH+](C)CC1=CC=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=C1	REAL300005301574	0	44	0.0	-81.53	337.71	9.63	-71.90
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005301575	0	51	0.0	-66.14	374.19	11.68	-54.46
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005301575	1	51	0.0	-69.51	378.72	11.23	-58.28
C[NH+](C)CC1=CC=CC=C1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301631	0	44	0.0	-67.23	333.66	9.69	-57.54
CC[NH+]1CCN(CCC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)CC1	REAL300005301633	0	49	0.0	-77.18	360.50	7.10	-70.08
CCN1CC[NH+](CCC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)CC1	REAL300005301633	1	49	0.0	-70.99	360.58	7.14	-63.85
CC(C)C(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[NH+]1CCCCC1	REAL300005301636	0	50	0.0	-63.26	350.97	10.06	-53.20
C[NH+](C)C(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)C1=CC=CC=C1	REAL300005301637	1	44	0.0	-65.30	331.70	9.61	-55.69
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005301641	0	49	0.0	-73.67	375.33	7.98	-65.69
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005301641	1	49	0.0	-74.29	373.86	7.98	-66.31
CC(C)C1=[NH+]C=CN1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301646	1	45	0.0	-66.31	348.69	9.71	-56.60
C[NH+](C)CC1=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)OC2=CC=CC=C21	REAL300005301647	0	47	0.0	-63.40	358.83	10.42	-52.98
CC[NH+](CC)C(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)C1=CC=CC(C(F)(F)F)=C1	REAL300005301649	0	53	0.0	-54.01	393.12	11.50	-42.51
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005301652	0	48	0.0	-64.54	345.74	9.66	-54.88
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCC[N@H+]1C1CCCC1	REAL300005301652	1	48	0.0	-64.03	345.43	9.98	-54.05
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300005301673	1	49	0.0	-54.48	373.57	11.38	-43.10
CC(C)C(C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)[NH+]1CC(C)OC(C)C1	REAL300005301674	1	54	0.0	-63.91	375.59	8.74	-55.17
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)=CC=C1N2	REAL300005301700	1	49	0.0	-91.95	373.36	10.08	-81.87
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)=CC=C1N2	REAL300005301700	1	49	0.0	-88.03	371.80	9.78	-78.25
CC[NH+](CC)CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)O1	REAL300005301752	0	47	0.0	-81.69	359.85	9.75	-71.94
CC1=CC=C(N2CCC(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)CC2)[NH+]=C1	REAL300005301753	1	50	0.0	-77.02	372.58	9.21	-67.81
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)CC1=CC=CC=C1	REAL300005301754	1	44	0.0	-67.68	338.70	9.91	-57.77
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2)CC1=CC=CC=C1	REAL300005301754	1	44	0.0	-67.45	339.94	10.18	-57.27
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)C=C2)CC1	REAL300005301757	0	56	0.0	-91.35	405.42	9.74	-81.61
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005301767	1	39	0.0	-84.26	316.12	7.39	-76.87
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301800	0	51	0.0	-72.50	376.40	11.29	-61.21
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005301800	1	51	0.0	-84.86	385.22	11.22	-73.64
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=C1	REAL300005301818	0	52	0.0	-89.25	404.10	11.00	-78.25
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005301836	0	48	0.0	-83.65	364.58	10.17	-73.48
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)[C@@H](C(F)(F)F)C1	REAL300005301866	0	50	0.0	-82.14	374.10	9.62	-72.52
CC(C)(C)[N@H+]1C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)[C@@H](C(F)(F)F)C1	REAL300005301866	1	50	0.0	-76.86	370.92	9.32	-67.54
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005302099	0	52	0.0	-88.44	386.11	11.58	-76.86
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005302099	1	52	0.0	-87.45	388.89	11.78	-75.67
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005302130	1	51	0.0	-62.13	386.77	11.72	-50.41
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005302130	1	51	0.0	-58.62	375.35	11.32	-47.30
C[N@@H+]1CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300005302211	0	41	0.0	-67.92	309.90	8.40	-59.52
C[N@H+]1CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300005302211	1	41	0.0	-71.71	310.59	7.54	-64.17
C[NH+](C)CCC1=CC=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=C1	REAL300005302634	0	47	0.0	-82.76	360.20	10.46	-72.30
C[NH+](C)CCOC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=C1	REAL300005302640	0	48	0.0	-71.25	366.50	9.41	-61.84
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005302715	0	54	0.0	-70.27	402.79	12.53	-57.74
CC1C[N@H+](CC2=CC=C(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)C=C2)CCO1	REAL300005302717	1	52	0.0	-92.35	386.21	9.85	-82.50
CC1C[N@@H+](CC2=CC=C(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)C=C2)CCO1	REAL300005302717	1	52	0.0	-92.35	392.68	9.85	-82.50
CC(C)C[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C1	REAL300005302802	0	50	0.0	-63.79	353.97	10.18	-53.61
CC(C)C[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C1	REAL300005302802	1	50	0.0	-63.79	353.97	10.18	-53.61
C[N@@H+]1CCCC(C(C)(C)C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C1	REAL300005302808	0	50	0.0	-79.20	344.96	9.16	-70.04
C[N@H+]1CCCC(C(C)(C)C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C1	REAL300005302808	1	50	0.0	-79.20	344.96	9.16	-70.04
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=CSC=C2)C1	REAL300005302856	0	43	0.0	-48.09	343.48	7.88	-40.21
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2(CO)C2=CC=CC=C2)C1	REAL300005302955	0	51	0.0	-50.34	374.95	8.07	-42.27
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2(CO)C2=CC=CC=C2)C1	REAL300005302955	1	51	0.0	-50.34	374.95	8.07	-42.27
O=C([O-])C1=CN=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300005304387	0	46	0.0	-87.00	365.09	8.93	-78.07
O=C([O-])C1=CN=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300005305155	0	43	0.0	-74.90	348.65	8.37	-66.53
O=C([O-])C1=CN=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300005305155	1	43	0.0	-73.17	342.13	7.82	-65.35
CC1=[NH+]C=C2CCC(C(=O)NC3=CN=CC(C(=O)[O-])=C3)CN21	REAL300005305972	1	38	0.0	-70.83	311.67	6.43	-64.40
O=C([O-])C1=CN=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300005305973	0	46	0.0	-70.21	366.86	8.81	-61.40
CC1=NC(C[NH+]2CCC(C(=O)NC3=CN=CC(C(=O)[O-])=C3)CC2)=CS1	REAL300005306036	1	45	0.0	-84.90	372.61	6.64	-78.26
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CN=CC(C(=O)[O-])=C2)C=C1	REAL300005306098	0	49	0.0	-83.58	398.28	8.46	-75.12
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CN=CC(C(=O)[O-])=C2)=C1	REAL300005306112	0	49	0.0	-83.15	399.06	10.78	-72.37
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CN=CC(C(=O)[O-])=C2)=C1	REAL300005306112	1	49	0.0	-82.00	399.07	10.79	-71.21
CC1(C(=O)NC2=CN=CC(C(=O)[O-])=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005306113	0	49	0.0	-70.70	378.24	9.33	-61.37
O=C([O-])C1=CN=CC(NC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300005306152	0	46	0.0	-73.43	380.62	9.21	-64.22
O=C([O-])C1=CN=CC(NC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300005306152	1	46	0.0	-68.54	379.54	9.02	-59.52
C[N@H+](CCC(=O)NC1=CN=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300005306188	0	45	0.0	-79.03	342.62	7.29	-71.74
C[N@@H+](CCC(=O)NC1=CN=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300005306188	1	45	0.0	-78.71	342.84	7.30	-71.41
O=C([O-])C1=CN=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300005306260	0	39	0.0	-82.15	333.92	6.33	-75.82
C[NH+](C)CCN1N=CC(C(=O)NC2=CN=CC(C(=O)[O-])=C2)=C1C1=CC=CC=C1	REAL300005306265	0	49	0.0	-85.15	397.73	8.45	-76.70
O=C([O-])C1=CN=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300005306290	0	46	0.0	-69.59	342.07	7.51	-62.08
O=C([O-])C1=CN=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300005306290	1	46	0.0	-68.10	341.85	7.52	-60.58
O=C([O-])C1=CN=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300005306291	0	47	0.0	-73.91	349.41	5.82	-68.09
O=C([O-])C1=CC(NC(=O)CCCC[NH+]2CCOCC2)=CN=C1	REAL300005306319	1	43	0.0	-82.00	342.47	5.30	-76.70
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C[C@]1(C(=O)N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=C(F)C=C2)C[C@H]1C(=O)[O-]	REAL300005308003	0	54	0.0	-56.48	436.25	12.16	-44.32
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CC(C)C(CCNC(=O)C1=CC=CC(OCC(=O)[O-])=C1)[NH+](C)C	REAL300005308227	0	49	0.0	-78.03	364.82	7.78	-70.25
CC(C)C(CCNC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])[NH+](C)C	REAL300005308228	0	52	0.0	-75.27	387.53	9.25	-66.02
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CC(C)C(CCNC(=O)CCC1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300005308230	0	51	0.0	-77.24	379.81	9.00	-68.24
CC(C)C(CCNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300005308231	0	49	0.0	-76.07	364.52	8.75	-67.32
CC(C)C(CCNC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300005308232	0	53	0.0	-74.85	411.90	3.97	-70.88
CC(C)C(CCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)[NH+](C)C	REAL300005308233	0	47	0.0	-76.93	363.37	8.37	-68.56
CC(C)C(CCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)[NH+](C)C	REAL300005308234	0	47	0.0	-76.93	363.37	8.37	-68.56
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCCC(C(C)C)[NH+](C)C)C=C1	REAL300005308235	0	55	0.0	-79.53	409.24	9.07	-70.46
CC(C)C(CCNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)[NH+](C)C	REAL300005308236	0	52	0.0	-84.12	391.05	9.16	-74.96
CC(C)C(CCNC(=O)CCC1=CC=CC=C1C(=O)[O-])[NH+](C)C	REAL300005308237	0	51	0.0	-71.02	371.79	8.77	-62.25
CC1=CC(C(=O)NCCC(C(C)C)[NH+](C)C)=CC(C)=C1OCC(=O)[O-]	REAL300005308238	0	55	0.0	-75.07	408.26	9.41	-65.66
CC(C)C(CCNC(=O)CC1=CC=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300005308239	0	48	0.0	-82.06	358.92	8.18	-73.88
CC(C)C(CCNC(=O)C1=CC=C(C(=O)[O-])C=C1F)[NH+](C)C	REAL300005308240	0	45	0.0	-73.83	338.76	7.59	-66.24
CC(C)C(CCNC(=O)CC1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300005308241	0	48	0.0	-81.65	357.84	8.27	-73.38
CC1=NC(C(=O)NCCC(C(C)C)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300005308242	0	47	0.0	-64.90	347.84	6.30	-58.60
CC(C)C(CCNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300005308243	0	45	0.0	-79.03	356.49	8.32	-70.71
CC(C)C(CCNC(=O)C1=CC=CC(CC(=O)[O-])=C1)[NH+](C)C	REAL300005308244	0	48	0.0	-73.18	352.19	8.32	-64.86
CC(C)C(CCNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])[NH+](C)C	REAL300005308245	0	55	0.0	-71.79	400.43	10.84	-60.95
CC1=COC(CC(=O)[O-])=C1C(=O)NCCC(C(C)C)[NH+](C)C	REAL300005308246	0	48	0.0	-69.19	362.46	7.13	-62.06
CC(C)C(CCNC(=O)CC1CCC(C(=O)[O-])CC1)[NH+](C)C	REAL300005308247	0	54	0.0	-71.50	373.00	8.34	-63.16
CC(C)C(CCNC(=O)C12CCC(C(=O)[O-])(CC1)C2)[NH+](C)C	REAL300005308248	0	52	0.0	-80.27	368.21	7.90	-72.37
CC(C)C(CCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[NH+](C)C	REAL300005308249	0	55	0.0	-74.74	376.73	8.48	-66.26
CC(C)C(CCNC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)[NH+](C)C	REAL300005308250	0	47	0.0	-76.41	355.61	6.81	-69.60
CC(C)C(CCNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)[NH+](C)C	REAL300005308251	0	52	0.0	-76.00	385.32	8.30	-67.70
CC(C)C(CCNC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)[NH+](C)C	REAL300005308252	0	58	0.0	-71.38	413.19	10.41	-60.97
CC(C)C(CCNC(=O)C1=CC=C(C=CC(=O)[O-])O1)[NH+](C)C	REAL300005308253	0	46	0.0	-66.44	352.72	7.17	-59.27
CC(C)C(CCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)[NH+](C)C	REAL300005308254	0	52	0.0	-51.57	360.44	8.35	-43.22
CC(C)C(CCNC(=O)C1=CC=C(OCC(=O)[O-])C=C1)[NH+](C)C	REAL300005308255	0	49	0.0	-73.60	365.25	7.79	-65.81
CC(C)C(CCNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)[NH+](C)C	REAL300005308256	0	54	0.0	-82.48	401.49	8.16	-74.32
CC(C)C(CCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[NH+](C)C	REAL300005308257	0	49	0.0	-79.32	356.57	7.03	-72.29
CC(C)C(CCNC(=O)C1=CC=C(CC(=O)[O-])C=C1)[NH+](C)C	REAL300005308258	0	48	0.0	-70.10	356.42	8.29	-61.81
CC(C)C(CCNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)[NH+](C)C	REAL300005308259	0	49	0.0	-77.75	366.32	8.81	-68.94
CC(C)C(CCNC(=O)C=CC1=CC(C(=O)[O-])=CO1)[NH+](C)C	REAL300005308260	0	46	0.0	-72.96	352.81	6.95	-66.01
CC(C)C(CCNC(=O)C1=CC=CC=C1CCC(=O)[O-])[NH+](C)C	REAL300005308261	0	51	0.0	-76.85	370.07	9.24	-67.61
CC(C)C(CCNC(=O)COCC1=C(C(=O)[O-])N=CO1)[NH+](C)C	REAL300005308262	0	48	0.0	-82.46	367.01	3.26	-79.20
CC(C)C(CCNC(=O)C=CC1=CC=C(C(=O)[O-])O1)[NH+](C)C	REAL300005308263	0	46	0.0	-72.27	355.48	7.42	-64.85
CC1=CC=C(C(=O)NCCC(C(C)C)[NH+](C)C)C=C1C(=O)[O-]	REAL300005308264	0	48	0.0	-86.94	352.02	8.02	-78.92
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCCC(C(C)C)[NH+](C)C	REAL300005308265	0	47	0.0	-61.33	346.79	6.59	-54.74
CC(C)C(CCNC(=O)CCCN1C=CC(C(=O)[O-])=N1)[NH+](C)C	REAL300005308266	0	51	0.0	-89.63	383.43	7.05	-82.58
CC(C)C(CCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[NH+](C)C	REAL300005308267	0	52	0.0	-77.98	378.73	7.51	-70.47
CC(C)C(CCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[NH+](C)C	REAL300005308268	0	52	0.0	-71.92	377.17	6.28	-65.64
CC(C)C(CCNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])[NH+](C)C	REAL300005308269	0	53	0.0	-51.16	364.35	8.86	-42.30
CC(C)C(CCNC(=O)CN1CCCC(C(=O)[O-])C1)[NH+](C)C	REAL300005308270	1	53	0.0	-69.63	372.92	5.56	-64.07
CC(C)C(CCNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)[NH+](C)C	REAL300005308271	0	52	0.0	-55.79	369.95	9.59	-46.20
CC(C)C(CCNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)[NH+](C)C	REAL300005308272	0	52	0.0	-76.00	385.32	8.30	-67.70
CC(C)C(CCNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)[NH+](C)C	REAL300005308273	0	52	0.0	-88.69	391.19	9.71	-78.98
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CC(C)C(CCNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)[NH+](C)C	REAL300005308277	0	45	0.0	-75.44	347.35	8.12	-67.32
CC(C)C(CCNC(=O)C1CC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300005308278	0	52	0.0	-74.55	374.70	8.36	-66.19
COC1=CC(C(=O)[O-])=NC(C(=O)NCCC(C(C)C)[NH+](C)C)=C1	REAL300005308279	0	48	0.0	-61.19	362.09	5.11	-56.08
CC(C)C(CCNC(=O)C1=CC=C(CCC(=O)[O-])C=C1)[NH+](C)C	REAL300005308280	0	51	0.0	-72.67	377.82	9.09	-63.58
CC(C)C(CCNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)[NH+](C)C	REAL300005308281	0	49	0.0	-71.02	368.32	8.02	-63.00
CC1=C(C(=O)NCCC(C(C)C)[NH+](C)C)C=C(C(=O)[O-])S1	REAL300005308282	0	45	0.0	-64.47	343.00	7.34	-57.13
CC(C)C(CCNC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)[NH+](C)C	REAL300005308283	0	45	0.0	-73.74	362.98	8.16	-65.58
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCCC(C(C)C)[NH+](C)C)=C1	REAL300005308284	0	49	0.0	-74.36	370.88	7.27	-67.09
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCCC(C(C)C)[NH+](C)C	REAL300005308285	0	48	0.0	-64.11	358.53	7.84	-56.27
CC(C)C(CCNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)[NH+](C)C	REAL300005308286	0	48	0.0	-78.28	365.17	8.83	-69.45
CC(C)C(CCNC(=O)CCC1=CC=CN=C1C(=O)[O-])[NH+](C)C	REAL300005308287	0	50	0.0	-69.22	368.80	7.00	-62.22
CC(C)C(CCNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300005308288	0	49	0.0	-77.58	368.76	8.71	-68.87
CC(C)C(CCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)[NH+](C)C	REAL300005308289	0	52	0.0	-51.57	360.44	8.35	-43.22
CC(C)C(CCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)[NH+](C)C	REAL300005308290	0	46	0.0	-64.89	355.18	6.57	-58.32
CC(C)C(CCNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)[NH+](C)C	REAL300005308291	0	46	0.0	-75.92	359.60	6.66	-69.26
CC(C)C(CCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)[NH+](C)C	REAL300005308292	0	46	0.0	-68.31	351.40	5.76	-62.55
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCCC(C(C)C)[NH+](C)C	REAL300005308293	0	48	0.0	-79.47	344.96	8.11	-71.36
CC(C)C(CCNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)[NH+](C)C	REAL300005308294	0	48	0.0	-78.46	364.04	6.93	-71.53
CC(C)C(CCNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])[NH+](C)C	REAL300005308295	0	50	0.0	-65.73	350.58	5.93	-59.80
CC(C)C(CCNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)[NH+](C)C	REAL300005308296	0	51	0.0	-79.65	369.08	9.68	-69.97
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCCC(C(C)C)[NH+](C)C	REAL300005308297	0	51	0.0	-83.45	375.52	8.70	-74.75
CC(C)C(CCNC(=O)CC1=CC(C(=O)[O-])=CS1)[NH+](C)C	REAL300005308298	0	45	0.0	-77.28	349.96	7.33	-69.95
CC(C)C(CCNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)[NH+](C)C	REAL300005308299	0	48	0.0	-83.47	359.22	8.25	-75.22
CC(C)C(CCNC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)[NH+](C)C	REAL300005308300	0	52	0.0	-68.15	382.75	9.04	-59.11
CC(C)C(CCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[NH+](C)C	REAL300005308301	0	55	0.0	-74.74	376.73	8.48	-66.26
CN1N=CC=C1C[C@@H]1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005308367	0	50	0.0	-48.81	369.66	8.20	-40.61
CN1N=CC=C1C[C@@H]1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005308367	1	50	0.0	-52.49	378.65	8.68	-43.81
O=C([O-])C1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCOC[C@H]32)C1	REAL300005308439	0	46	0.0	-46.25	325.79	4.71	-41.54
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCOC[C@H]32)C1	REAL300005308439	1	46	0.0	-46.73	326.22	4.74	-41.99
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCOC1	REAL300005308537	0	51	0.0	-47.67	370.47	4.91	-42.76
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCOC1	REAL300005308537	1	51	0.0	-50.13	378.08	5.28	-44.85
CCN(CC1=NC2=C(CC(C)CC2)S1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005308717	0	55	0.0	-44.89	417.91	10.79	-34.10
CCN(CC1=NC2=C(CC(C)CC2)S1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005308717	1	55	0.0	-48.15	417.94	10.79	-37.36
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOCC12CCCC2	REAL300005308812	0	51	0.0	-46.78	356.98	7.49	-39.29
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOCC12CCCC2	REAL300005308812	1	51	0.0	-45.40	359.09	7.01	-38.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(Cl)C=C4)CCCC3)C[C@H]2C1	REAL300005308846	0	54	0.0	-71.50	396.98	11.84	-59.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(Cl)C=C4)CCCC3)C[C@H]2C1	REAL300005308846	1	54	0.0	-65.12	396.95	11.55	-53.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CS(C)(=O)=O)=C3)C[C@H]2C1	REAL300005308847	0	50	0.0	-89.09	395.02	6.19	-82.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CS(C)(=O)=O)=C3)C[C@H]2C1	REAL300005308847	1	50	0.0	-82.88	392.63	6.02	-76.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CC=N4)C=C3)C[C@H]2C1	REAL300005308848	0	48	0.0	-67.33	367.59	9.20	-58.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CC=N4)C=C3)C[C@H]2C1	REAL300005308848	1	48	0.0	-64.21	362.53	9.25	-54.96
CCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308849	0	48	0.0	-70.01	360.59	8.24	-61.77
CCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308849	1	48	0.0	-69.87	355.09	7.94	-61.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(F)=C3)C[C@H]2C1	REAL300005308850	0	41	0.0	-72.32	315.02	8.01	-64.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(F)=C3)C[C@H]2C1	REAL300005308850	1	41	0.0	-77.18	314.84	8.09	-69.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005308851	0	47	0.0	-76.42	375.58	10.06	-66.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005308851	1	47	0.0	-69.45	373.28	10.22	-59.23
CC1=CC(Cl)=CC=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308852	0	48	0.0	-65.24	384.23	10.24	-55.00
CC1=CC(Cl)=CC=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308852	1	48	0.0	-67.78	383.44	10.16	-57.62
CC(OC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308853	0	48	0.0	-67.54	358.63	9.73	-57.81
CC(OC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308853	1	48	0.0	-65.88	355.04	9.39	-56.49
COC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308854	0	48	0.0	-66.52	367.96	8.38	-58.14
COC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308854	1	48	0.0	-69.26	363.70	8.48	-60.78
COC1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308855	0	49	0.0	-80.34	376.36	8.32	-72.02
COC1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308855	1	49	0.0	-73.22	377.41	8.26	-64.96
CC1=CC=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308856	0	48	0.0	-70.49	366.11	9.71	-60.78
CC1=CC=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308856	1	48	0.0	-72.53	369.31	9.65	-62.88
COC1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308857	0	49	0.0	-83.65	376.11	8.79	-74.86
COC1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308857	1	49	0.0	-72.51	375.86	8.71	-63.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(C#N)C=C3)C[C@H]2C1	REAL300005308858	0	46	0.0	-81.04	367.68	9.44	-71.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(C#N)C=C3)C[C@H]2C1	REAL300005308858	1	46	0.0	-71.18	367.46	9.34	-61.84
CCOC1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308859	0	52	0.0	-68.50	398.52	9.69	-58.81
CCOC1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308859	1	52	0.0	-72.59	397.72	9.63	-62.96
CC1=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300005308860	0	48	0.0	-70.31	380.15	10.14	-60.17
CC1=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300005308860	1	48	0.0	-68.25	382.17	10.06	-58.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC=C3)C[C@H]2C1	REAL300005308861	0	51	0.0	-77.38	388.16	9.46	-67.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC=C3)C[C@H]2C1	REAL300005308861	1	51	0.0	-72.99	388.35	9.51	-63.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4O3)C[C@H]2C1	REAL300005308862	0	44	0.0	-56.86	341.20	8.84	-48.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4O3)C[C@H]2C1	REAL300005308862	1	44	0.0	-67.60	338.07	8.61	-58.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Br)S3)C[C@H]2C1	REAL300005308863	0	38	0.0	-73.96	319.73	7.62	-66.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Br)S3)C[C@H]2C1	REAL300005308863	1	38	0.0	-65.05	317.81	7.64	-57.41
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300005308864	0	49	0.0	-67.58	377.54	7.44	-60.14
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300005308864	1	49	0.0	-77.57	376.63	7.48	-70.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005308865	0	55	0.0	-71.34	420.50	11.29	-60.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005308865	1	55	0.0	-71.02	415.00	11.00	-60.02
CCOC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308866	0	51	0.0	-74.96	388.16	9.29	-65.67
CCOC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308866	1	51	0.0	-71.45	388.35	9.34	-62.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005308867	0	49	0.0	-58.95	378.66	10.09	-48.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005308867	1	49	0.0	-68.06	378.61	9.75	-58.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005308868	0	44	0.0	-63.64	350.02	9.54	-54.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005308868	1	44	0.0	-66.58	349.88	9.41	-57.17
CC1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308869	0	48	0.0	-65.06	368.95	9.70	-55.36
CC1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308869	1	48	0.0	-72.23	369.31	9.65	-62.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC(F)=C3)C[C@H]2C1	REAL300005308870	0	41	0.0	-72.39	322.57	8.14	-64.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC(F)=C3)C[C@H]2C1	REAL300005308870	1	41	0.0	-69.35	321.15	8.13	-61.22
COC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308871	0	48	0.0	-61.20	366.83	8.44	-52.76
COC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308871	1	48	0.0	-65.95	366.12	8.38	-57.57
COC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005308872	0	55	0.0	-64.83	417.18	9.47	-55.36
COC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005308872	1	55	0.0	-71.17	417.13	9.12	-62.05
COC1=CC=CC=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308873	0	51	0.0	-74.70	386.51	9.23	-65.47
COC1=CC=CC=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308873	1	51	0.0	-69.98	387.83	9.18	-60.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC4=CC5=C(C=C34)CCC5)C[C@H]2C1	REAL300005308874	0	54	0.0	-68.35	410.76	11.68	-56.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC4=CC5=C(C=C34)CCC5)C[C@H]2C1	REAL300005308874	1	54	0.0	-66.95	410.07	11.31	-55.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC(F)F)C[C@H]2C1	REAL300005308875	0	45	0.0	-69.43	349.56	8.42	-61.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC(F)F)C[C@H]2C1	REAL300005308875	1	45	0.0	-66.16	349.93	8.33	-57.83
CCOC1=C(Cl)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005308876	0	52	0.0	-59.10	407.60	8.71	-50.39
CCOC1=C(Cl)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005308876	1	52	0.0	-69.94	408.72	8.79	-61.15
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300005308877	0	49	0.0	-59.26	385.75	7.76	-51.50
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300005308877	1	49	0.0	-64.90	385.94	7.65	-57.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3S(C)(=O)=O)C[C@H]2C1	REAL300005308878	0	47	0.0	-74.07	364.54	6.79	-67.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3S(C)(=O)=O)C[C@H]2C1	REAL300005308878	1	47	0.0	-75.70	359.91	6.56	-69.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005308879	0	45	0.0	-66.48	353.95	9.09	-57.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005308879	1	45	0.0	-68.57	353.05	9.02	-59.55
CC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308880	0	47	0.0	-63.66	355.27	9.56	-54.10
CC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308880	1	47	0.0	-70.42	352.41	9.47	-60.95
CC(C)CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308881	0	53	0.0	-68.46	390.46	10.67	-57.79
CC(C)CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308881	1	53	0.0	-68.92	384.96	10.41	-58.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=C3F)C[C@H]2C1	REAL300005308882	0	47	0.0	-75.69	363.65	9.91	-65.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=C3F)C[C@H]2C1	REAL300005308882	1	47	0.0	-73.02	363.84	9.96	-63.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4S3)C[C@H]2C1	REAL300005308883	0	44	0.0	-62.28	346.97	9.42	-52.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4S3)C[C@H]2C1	REAL300005308883	1	44	0.0	-59.79	342.55	9.58	-50.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4)=CS3)C[C@H]2C1	REAL300005308884	0	48	0.0	-55.48	377.01	10.44	-45.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4)=CS3)C[C@H]2C1	REAL300005308884	1	48	0.0	-68.35	375.78	10.47	-57.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005308885	0	41	0.0	-53.46	348.33	9.05	-44.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005308885	1	41	0.0	-57.34	342.91	8.92	-48.42
COC1=CC=C(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308886	0	48	0.0	-57.35	358.29	9.07	-48.28
COC1=CC=C(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308886	1	48	0.0	-67.48	361.77	8.74	-58.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC=C3Br)C[C@H]2C1	REAL300005308887	0	41	0.0	-72.13	334.99	8.68	-63.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC=C3Br)C[C@H]2C1	REAL300005308887	1	41	0.0	-70.01	334.72	8.74	-61.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C=C3F)C[C@H]2C1	REAL300005308888	0	41	0.0	-60.74	332.93	8.95	-51.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C=C3F)C[C@H]2C1	REAL300005308888	1	41	0.0	-78.07	332.14	8.61	-69.46
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005308889	0	44	0.0	-58.87	333.84	8.63	-50.24
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005308889	1	44	0.0	-77.42	334.95	8.70	-68.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC=CC=C4C3)C[C@H]2C1	REAL300005308890	0	49	0.0	-72.88	363.10	8.63	-64.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC=CC=C4C3)C[C@H]2C1	REAL300005308890	1	49	0.0	-64.78	367.11	8.68	-56.10
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005308891	0	44	0.0	-54.39	337.88	4.64	-49.75
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005308891	1	44	0.0	-62.64	336.00	4.62	-58.02
COC1=CC(C#N)=CC=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308892	0	50	0.0	-73.11	397.45	9.16	-63.95
COC1=CC(C#N)=CC=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308892	1	50	0.0	-74.33	396.67	9.09	-65.24
CC1=NN(C)C2=C1C=C(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)S2	REAL300005308893	0	47	0.0	-66.64	370.99	7.61	-59.03
CC1=NN(C)C2=C1C=C(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)S2	REAL300005308893	1	47	0.0	-68.77	371.13	7.67	-61.10
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2C1=O	REAL300005308894	0	49	0.0	-62.10	372.55	7.97	-54.13
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2C1=O	REAL300005308894	1	49	0.0	-68.03	372.92	8.01	-60.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCC4=O)C=C3)C[C@H]2C1	REAL300005308895	0	52	0.0	-66.66	386.45	9.12	-57.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCC4=O)C=C3)C[C@H]2C1	REAL300005308895	1	52	0.0	-68.70	386.67	9.02	-59.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Br)O3)C[C@H]2C1	REAL300005308896	0	38	0.0	-56.93	314.00	7.10	-49.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Br)O3)C[C@H]2C1	REAL300005308896	1	38	0.0	-64.41	312.83	6.95	-57.46
CC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308897	0	44	0.0	-76.82	329.06	8.64	-68.18
CC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308897	1	44	0.0	-67.04	325.92	8.75	-58.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C(F)C=CC=C3Cl)C[C@H]2C1	REAL300005308898	0	44	0.0	-59.50	357.47	9.52	-49.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C(F)C=CC=C3Cl)C[C@H]2C1	REAL300005308898	1	44	0.0	-67.64	357.47	9.45	-58.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(Cl)=C3Cl)C[C@H]2C1	REAL300005308899	0	41	0.0	-81.65	339.51	8.96	-72.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(Cl)=C3Cl)C[C@H]2C1	REAL300005308899	1	41	0.0	-78.81	339.20	8.99	-69.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC=C3Cl)C[C@H]2C1	REAL300005308900	0	41	0.0	-73.05	341.23	9.02	-64.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC=C3Cl)C[C@H]2C1	REAL300005308900	1	41	0.0	-70.80	340.92	9.07	-61.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(F)C=CC=C3F)C[C@H]2C1	REAL300005308901	0	41	0.0	-67.10	329.70	8.37	-58.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(F)C=CC=C3F)C[C@H]2C1	REAL300005308901	1	41	0.0	-73.67	326.15	8.15	-65.52
COC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC	REAL300005308902	0	49	0.0	-83.06	371.71	8.13	-74.93
COC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC	REAL300005308902	1	49	0.0	-68.70	373.25	7.98	-60.72
COC1=CC(OC)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308903	0	49	0.0	-76.78	368.69	6.60	-70.18
COC1=CC(OC)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308903	1	49	0.0	-70.30	362.69	6.33	-63.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005308904	0	41	0.0	-61.63	325.76	8.55	-53.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005308904	1	41	0.0	-66.14	322.45	8.34	-57.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005308905	0	41	0.0	-67.94	315.73	8.06	-59.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005308905	1	41	0.0	-67.67	310.23	7.78	-59.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005308906	0	44	0.0	-83.51	343.83	8.96	-74.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005308906	1	44	0.0	-63.61	333.38	9.02	-54.59
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308907	0	45	0.0	-70.13	338.74	7.30	-62.83
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308907	1	45	0.0	-70.18	333.23	7.01	-63.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005308908	0	41	0.0	-58.30	341.67	9.38	-48.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005308908	1	41	0.0	-74.57	340.81	9.04	-65.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OC(F)F)=C3)C[C@H]2C1	REAL300005308909	0	45	0.0	-81.37	347.87	7.53	-73.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OC(F)F)=C3)C[C@H]2C1	REAL300005308909	1	45	0.0	-70.20	346.83	7.40	-62.80
COC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308910	0	48	0.0	-65.57	367.59	8.37	-57.20
COC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308910	1	48	0.0	-71.48	366.49	8.42	-63.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC(Br)=C3)C[C@H]2C1	REAL300005308911	0	45	0.0	-67.16	366.00	9.66	-57.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC(Br)=C3)C[C@H]2C1	REAL300005308911	1	45	0.0	-70.01	369.20	9.60	-60.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C=CC=C3Cl)C[C@H]2C1	REAL300005308912	0	41	0.0	-63.50	348.68	9.12	-54.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C=CC=C3Cl)C[C@H]2C1	REAL300005308912	1	41	0.0	-67.72	345.13	8.91	-58.81
COC1=CC=CC(OC)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308913	0	49	0.0	-64.01	374.82	7.26	-56.75
COC1=CC=CC(OC)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308913	1	49	0.0	-71.66	375.67	6.89	-64.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005308914	0	45	0.0	-65.88	364.27	9.53	-56.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005308914	1	45	0.0	-68.05	363.37	9.46	-58.59
COC1=CC=CC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308915	0	49	0.0	-69.35	373.02	8.95	-60.40
COC1=CC=CC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308915	1	49	0.0	-68.06	375.17	8.87	-59.19
CC1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308916	0	48	0.0	-64.45	367.49	9.73	-54.72
CC1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308916	1	48	0.0	-68.42	366.69	9.66	-58.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005308917	0	45	0.0	-68.14	363.45	9.56	-58.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005308917	1	45	0.0	-71.03	362.64	9.49	-61.54
CC1=CC(C)=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308918	0	51	0.0	-79.31	389.68	10.37	-68.94
CC1=CC(C)=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308918	1	51	0.0	-72.61	387.38	10.23	-62.38
CC1=CC=C(Cl)C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308919	0	48	0.0	-81.64	384.30	10.24	-71.40
CC1=CC=C(Cl)C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308919	1	48	0.0	-70.60	384.16	10.16	-60.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C4CCCC4=C3)C[C@H]2C1	REAL300005308920	0	52	0.0	-65.62	393.08	10.92	-54.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C4CCCC4=C3)C[C@H]2C1	REAL300005308920	1	52	0.0	-69.20	392.25	10.86	-58.34
CCCOC1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308921	0	55	0.0	-79.96	419.72	10.04	-69.92
CCCOC1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308921	1	55	0.0	-69.40	419.49	9.95	-59.45
CCOC1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308922	0	52	0.0	-66.83	398.89	9.22	-57.61
CCOC1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308922	1	52	0.0	-69.64	397.99	9.15	-60.49
CC1=CC=C(OC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308923	0	51	0.0	-66.81	382.05	10.07	-56.74
CC1=CC=C(OC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005308923	1	51	0.0	-69.62	381.68	9.97	-59.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005308924	0	47	0.0	-73.96	371.99	10.28	-63.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005308924	1	47	0.0	-71.29	372.14	10.33	-60.96
CC(OC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308925	0	48	0.0	-67.99	365.28	9.80	-58.19
CC(OC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308925	1	48	0.0	-68.54	366.69	9.36	-59.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(F)C(Cl)=C3)C[C@H]2C1	REAL300005308926	0	45	0.0	-69.28	367.24	10.15	-59.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(F)C(Cl)=C3)C[C@H]2C1	REAL300005308926	1	45	0.0	-66.44	369.39	10.07	-56.37
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SN=N1	REAL300005308927	0	39	0.0	-74.23	306.40	5.15	-69.08
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SN=N1	REAL300005308927	1	39	0.0	-64.82	308.18	5.20	-59.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4CC4)=C3)C[C@H]2C1	REAL300005308928	0	44	0.0	-54.40	342.38	8.23	-46.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4CC4)=C3)C[C@H]2C1	REAL300005308928	1	44	0.0	-65.08	342.80	8.10	-56.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCOCC3)C[C@H]2C1	REAL300005308929	0	55	0.0	-70.21	388.37	8.81	-61.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCOCC3)C[C@H]2C1	REAL300005308929	1	55	0.0	-69.40	387.60	8.69	-60.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4)CCOCC3)C[C@H]2C1	REAL300005308930	0	55	0.0	-63.96	396.52	8.90	-55.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4)CCOCC3)C[C@H]2C1	REAL300005308930	1	55	0.0	-59.98	394.52	8.76	-51.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(F)=C4)CCOCC3)C[C@H]2C1	REAL300005308931	0	55	0.0	-70.02	394.70	8.86	-61.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(F)=C4)CCOCC3)C[C@H]2C1	REAL300005308931	1	55	0.0	-63.58	394.19	8.70	-54.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCOCC3)C[C@H]2C1	REAL300005308932	0	48	0.0	-61.13	335.21	6.11	-55.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCOCC3)C[C@H]2C1	REAL300005308932	1	48	0.0	-64.69	328.87	6.18	-58.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCOCC3)C[C@H]2C1	REAL300005308933	0	46	0.0	-59.38	336.42	5.90	-53.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCOCC3)C[C@H]2C1	REAL300005308933	1	46	0.0	-73.95	337.11	5.59	-68.36
CC(C)COC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308934	0	50	0.0	-75.95	368.92	8.44	-67.51
CC(C)COC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308934	1	50	0.0	-72.14	365.85	8.28	-63.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005308935	0	47	0.0	-62.40	364.84	10.34	-52.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005308935	1	47	0.0	-68.41	364.79	9.99	-58.42
CC1=CC(=O)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005308936	0	53	0.0	-74.19	405.93	11.24	-62.95
CC1=CC(=O)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005308936	1	53	0.0	-81.19	406.32	11.12	-70.07
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308937	0	58	0.0	-65.79	418.34	10.70	-55.09
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308937	1	58	0.0	-70.38	424.31	11.79	-58.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C(=O)C(C)(C)C)C3)C[C@H]2C1	REAL300005308938	0	60	0.0	-60.81	421.64	8.69	-52.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C(=O)C(C)(C)C)C3)C[C@H]2C1	REAL300005308938	1	60	0.0	-77.16	421.72	8.71	-68.45
CCOC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308939	0	48	0.0	-69.53	361.66	9.07	-60.46
CCOC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308939	1	48	0.0	-67.17	362.05	8.96	-58.21
C=CCC1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1	REAL300005308940	0	56	0.0	-68.69	432.37	10.77	-57.92
C=CCC1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1	REAL300005308940	1	56	0.0	-72.39	431.58	10.69	-61.70
CN1C=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC1=O	REAL300005308941	0	44	0.0	-69.96	342.76	7.10	-62.86
CN1C=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC1=O	REAL300005308941	1	44	0.0	-69.87	341.92	7.11	-62.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC=C(C4=CC=CC=C4)O3)C[C@H]2C1	REAL300005308942	0	53	0.0	-73.82	413.39	8.36	-65.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC=C(C4=CC=CC=C4)O3)C[C@H]2C1	REAL300005308942	1	53	0.0	-71.03	413.57	8.40	-62.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005308943	0	49	0.0	-65.18	377.42	8.91	-56.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005308943	1	49	0.0	-59.77	378.60	8.86	-50.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NN=C(C4=CSC=C4)O3)C[C@H]2C1	REAL300005308944	0	49	0.0	-75.13	399.85	4.73	-70.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NN=C(C4=CSC=C4)O3)C[C@H]2C1	REAL300005308944	1	49	0.0	-72.67	400.04	4.78	-67.89
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CC=N1	REAL300005308945	0	44	0.0	-74.45	334.37	6.72	-67.73
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CC=N1	REAL300005308945	1	44	0.0	-72.22	337.38	6.69	-65.53
CCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005308946	0	47	0.0	-54.09	359.73	5.57	-48.52
CCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005308946	1	47	0.0	-67.40	356.50	5.52	-61.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCCO4)C[C@H]2C1	REAL300005308947	0	47	0.0	-72.37	353.44	8.12	-64.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCCO4)C[C@H]2C1	REAL300005308947	1	47	0.0	-80.76	353.24	8.09	-72.67
CC(C)OC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005308948	0	50	0.0	-54.06	379.87	6.47	-47.59
CC(C)OC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005308948	1	50	0.0	-67.24	376.64	6.42	-60.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN4C=CC=CC4=N3)C[C@H]2C1	REAL300005308949	0	47	0.0	-78.67	361.91	9.71	-68.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN4C=CC=CC4=N3)C[C@H]2C1	REAL300005308949	1	47	0.0	-80.00	363.93	9.63	-70.37
COC1=CC=C2OC(C)=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005308950	0	51	0.0	-81.69	395.58	8.74	-72.95
COC1=CC=C2OC(C)=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005308950	1	51	0.0	-79.96	396.65	8.67	-71.29
CC1=CC=C(C2=NC(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CS2)O1	REAL300005308951	0	50	0.0	-75.60	406.73	8.90	-66.70
CC1=CC=C(C2=NC(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CS2)O1	REAL300005308951	1	50	0.0	-83.33	403.76	8.80	-74.53
CN1C=C(C2=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CS2)C=N1	REAL300005308952	0	47	0.0	-63.02	379.76	7.37	-55.65
CN1C=C(C2=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CS2)C=N1	REAL300005308952	1	47	0.0	-69.44	381.94	7.27	-62.17
CC1=CC=C(C2=NC(C)=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)O1	REAL300005308953	0	50	0.0	-66.48	396.06	8.42	-58.06
CC1=CC=C(C2=NC(C)=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)O1	REAL300005308953	1	50	0.0	-67.82	393.09	8.38	-59.44
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C(C)C)=N1	REAL300005308954	0	49	0.0	-73.07	375.16	7.77	-65.30
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C(C)C)=N1	REAL300005308954	1	49	0.0	-66.50	376.03	7.84	-58.66
CCCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005308955	0	49	0.0	-58.17	375.68	8.48	-49.69
CCCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005308955	1	49	0.0	-66.51	376.75	8.01	-58.50
CCN1N=C(C(C)C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308956	0	53	0.0	-61.26	391.03	8.54	-52.72
CCN1N=C(C(C)C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308956	1	53	0.0	-66.07	391.62	8.40	-57.67
CC1=NC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005308957	0	43	0.0	-68.22	343.93	6.95	-61.27
CC1=NC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005308957	1	43	0.0	-72.15	343.24	6.89	-65.26
CC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005308958	0	46	0.0	-65.55	354.92	7.92	-57.63
CC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005308958	1	46	0.0	-67.61	353.11	7.87	-59.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=NC=CC=N4)=N3)C[C@H]2C1	REAL300005308959	0	48	0.0	-77.54	393.88	7.39	-70.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=NC=CC=N4)=N3)C[C@H]2C1	REAL300005308959	1	48	0.0	-85.32	391.03	7.29	-78.03
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=NC=CC=N2)=N1	REAL300005308960	0	48	0.0	-63.70	382.99	7.02	-56.68
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=NC=CC=N2)=N1	REAL300005308960	1	48	0.0	-71.49	383.40	6.89	-64.60
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC(C)=C1C(C)=O	REAL300005308961	0	53	0.0	-79.42	407.93	8.38	-71.04
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC(C)=C1C(C)=O	REAL300005308961	1	53	0.0	-69.43	397.73	8.63	-60.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC=CS3)C[C@H]2C1	REAL300005308962	0	43	0.0	-74.05	342.98	6.99	-67.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC=CS3)C[C@H]2C1	REAL300005308962	1	43	0.0	-71.34	343.17	7.04	-64.30
CC(C)OC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005308963	0	50	0.0	-58.99	392.24	7.05	-51.94
CC(C)OC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005308963	1	50	0.0	-64.81	392.36	6.95	-57.86
CCC1=NC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005308964	0	46	0.0	-71.26	362.70	7.73	-63.53
CCC1=NC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005308964	1	46	0.0	-72.22	364.72	7.64	-64.58
CC1=CN(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005308965	0	47	0.0	-69.22	361.06	7.72	-61.50
CC1=CN(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005308965	1	47	0.0	-64.69	362.38	7.67	-57.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(C)(C)C)S3)C[C@H]2C1	REAL300005308966	0	49	0.0	-65.71	375.99	7.70	-58.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(C)(C)C)S3)C[C@H]2C1	REAL300005308966	1	49	0.0	-71.30	376.23	7.70	-63.60
CCOC1=CC=C(Cl)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005308967	0	47	0.0	-61.69	369.14	7.35	-54.34
CCOC1=CC=C(Cl)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005308967	1	47	0.0	-66.79	368.32	7.16	-59.63
COCC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005308968	0	44	0.0	-58.98	352.49	5.56	-53.42
COCC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005308968	1	44	0.0	-68.92	352.92	5.43	-63.49
CCN(CC)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005308969	0	54	0.0	-54.64	402.89	9.64	-45.00
CCN(CC)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005308969	1	54	0.0	-64.17	401.02	9.63	-54.54
CC1=NN(C(F)F)C(C)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308970	0	50	0.0	-77.02	390.79	7.98	-69.04
CC1=NN(C(F)F)C(C)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308970	1	50	0.0	-73.47	384.98	7.98	-65.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCCCC4)N=C3)C[C@H]2C1	REAL300005308971	0	58	0.0	-65.93	408.91	9.04	-56.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCCCC4)N=C3)C[C@H]2C1	REAL300005308971	1	58	0.0	-68.80	409.33	8.93	-59.87
CC1=NN(C)C(C)=C1C(=O)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308972	0	49	0.0	-59.44	381.78	7.11	-52.33
CC1=NN(C)C(C)=C1C(=O)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308972	1	49	0.0	-67.88	381.29	7.06	-60.82
CC1=CC=CC2=C1N=CN(CC(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)C2=O	REAL300005308973	0	52	0.0	-65.04	404.29	10.39	-54.65
CC1=CC=CC2=C1N=CN(CC(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)C2=O	REAL300005308973	1	52	0.0	-83.31	403.61	10.33	-72.98
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308974	0	49	0.0	-68.67	378.78	9.09	-59.58
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308974	1	49	0.0	-61.38	377.26	8.99	-52.39
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005308975	0	52	0.0	-60.14	395.15	7.05	-53.09
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005308975	1	52	0.0	-74.26	395.39	6.93	-67.33
CC1=NN(C)C(C)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308976	0	50	0.0	-80.21	377.86	7.81	-72.40
CC1=NN(C)C(C)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308976	1	50	0.0	-73.08	374.92	7.88	-65.20
CC1OC2=CC=CC=C2N(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1=O	REAL300005308977	0	53	0.0	-75.31	405.24	8.51	-66.80
CC1OC2=CC=CC=C2N(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1=O	REAL300005308977	1	53	0.0	-81.78	404.90	8.44	-73.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(N4CCCC4=O)C=C3)C[C@H]2C1	REAL300005308978	0	56	0.0	-62.93	424.81	10.72	-52.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(N4CCCC4=O)C=C3)C[C@H]2C1	REAL300005308978	1	56	0.0	-70.00	424.44	10.64	-59.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=NC=N4)C=C3)C[C@H]2C1	REAL300005308979	0	50	0.0	-78.32	387.86	11.08	-67.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=NC=N4)C=C3)C[C@H]2C1	REAL300005308979	1	50	0.0	-67.33	387.08	11.02	-56.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)(F)F)N=C3)C[C@H]2C1	REAL300005308980	0	47	0.0	-55.44	378.65	6.04	-49.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)(F)F)N=C3)C[C@H]2C1	REAL300005308980	1	47	0.0	-66.85	376.08	5.98	-60.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC4=CC=CN=C34)C[C@H]2C1	REAL300005308981	0	50	0.0	-74.33	385.48	10.12	-64.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC4=CC=CN=C34)C[C@H]2C1	REAL300005308981	1	50	0.0	-72.29	387.63	10.05	-62.24
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005308982	0	56	0.0	-59.38	421.07	9.72	-49.66
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005308982	1	56	0.0	-76.89	417.71	9.53	-67.36
CC1=NN(C)C2=NC(C)=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005308983	0	52	0.0	-60.40	392.95	8.27	-52.13
CC1=NN(C)C2=NC(C)=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005308983	1	52	0.0	-75.28	393.31	8.15	-67.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CC=N4)N=C3)C[C@H]2C1	REAL300005308984	0	47	0.0	-55.69	365.69	8.40	-47.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CC=N4)N=C3)C[C@H]2C1	REAL300005308984	1	47	0.0	-63.70	364.45	8.38	-55.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC(N4CCCC4)=NC=C3Cl)C[C@H]2C1	REAL300005308985	0	51	0.0	-67.01	393.24	9.14	-57.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC(N4CCCC4)=NC=C3Cl)C[C@H]2C1	REAL300005308985	1	51	0.0	-63.22	390.66	9.05	-54.17
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005308986	0	40	0.0	-55.24	312.71	5.74	-49.50
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005308986	1	40	0.0	-66.96	311.82	5.76	-61.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=CC=CO4)=N3)C[C@H]2C1	REAL300005308987	0	44	0.0	-70.63	358.46	7.68	-62.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=CC=CO4)=N3)C[C@H]2C1	REAL300005308987	1	44	0.0	-68.01	359.81	7.52	-60.49
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308988	0	46	0.0	-79.75	361.50	7.81	-71.94
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308988	1	46	0.0	-70.99	365.26	7.82	-63.17
CC1=NN(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308989	0	44	0.0	-75.87	330.76	6.41	-69.46
CC1=NN(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308989	1	44	0.0	-66.69	329.44	6.28	-60.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005308990	0	52	0.0	-88.20	386.30	9.18	-79.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005308990	1	52	0.0	-70.15	386.74	9.27	-60.88
CCC(=O)N1CCCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005308991	0	54	0.0	-69.11	389.98	7.95	-61.16
CCC(=O)N1CCCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005308991	1	54	0.0	-67.51	389.25	7.95	-59.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C(=O)C4CC4)C3)C[C@H]2C1	REAL300005308992	0	55	0.0	-63.74	397.98	8.79	-54.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C(=O)C4CC4)C3)C[C@H]2C1	REAL300005308992	1	55	0.0	-82.37	398.66	8.66	-73.71
CCS(=O)(=O)N1CCCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005308993	0	55	0.0	-60.00	408.24	5.79	-54.21
CCS(=O)(=O)N1CCCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005308993	1	55	0.0	-78.50	409.13	5.66	-72.84
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(=O)C1=CC=CS1	REAL300005308994	0	48	0.0	-76.26	376.74	7.77	-68.49
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(=O)C1=CC=CS1	REAL300005308994	1	48	0.0	-76.68	372.76	7.35	-69.33
CC(C)CN1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1=O	REAL300005308995	0	54	0.0	-75.27	394.07	8.15	-67.12
CC(C)CN1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1=O	REAL300005308995	1	54	0.0	-69.84	393.09	8.24	-61.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC3=CC=CN=C3)C[C@H]2C1	REAL300005308996	0	47	0.0	-78.75	377.20	8.71	-70.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC3=CC=CN=C3)C[C@H]2C1	REAL300005308996	1	47	0.0	-72.37	378.24	8.66	-63.71
CCC(=O)NC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308997	0	51	0.0	-74.87	385.87	7.68	-67.19
CCC(=O)NC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005308997	1	51	0.0	-88.23	384.82	7.74	-80.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(CC4=CC=CC=N4)C3)C[C@H]2C1	REAL300005308998	0	54	0.0	-74.65	413.22	8.00	-66.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(CC4=CC=CC=N4)C3)C[C@H]2C1	REAL300005308998	1	54	0.0	-76.51	411.32	8.09	-68.42
CCOC1=NC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308999	0	47	0.0	-84.18	357.92	6.59	-77.59
CCOC1=NC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005308999	1	47	0.0	-65.89	359.56	6.40	-59.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(C(F)(F)F)C=CC3=O)C[C@H]2C1	REAL300005309000	0	47	0.0	-88.56	378.19	8.56	-80.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(C(F)(F)F)C=CC3=O)C[C@H]2C1	REAL300005309000	1	47	0.0	-78.95	377.17	8.71	-70.24
CC1=NC2=CC=CC=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309001	0	49	0.0	-54.00	371.60	8.99	-45.01
CC1=NC2=CC=CC=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309001	1	49	0.0	-61.16	370.70	8.92	-52.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(CC4=CC=CC=C4)C3)C[C@H]2C1	REAL300005309002	0	55	0.0	-60.96	418.27	9.82	-51.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(CC4=CC=CC=C4)C3)C[C@H]2C1	REAL300005309002	1	55	0.0	-71.68	416.33	9.93	-61.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=NC4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309003	0	49	0.0	-79.02	384.15	9.56	-69.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=NC4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309003	1	49	0.0	-83.28	383.45	9.49	-73.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(CC4=CC=CO4)C3)C[C@H]2C1	REAL300005309004	0	52	0.0	-74.25	399.01	7.94	-66.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(CC4=CC=CO4)C3)C[C@H]2C1	REAL300005309004	1	52	0.0	-68.62	399.55	7.85	-60.77
CC1=CC=CC(N2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=O)=C1C	REAL300005309005	0	58	0.0	-77.96	432.59	11.02	-66.94
CC1=CC=CC(N2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=O)=C1C	REAL300005309005	1	58	0.0	-80.67	437.24	11.04	-69.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005309006	0	47	0.0	-59.35	392.34	9.26	-50.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005309006	1	47	0.0	-69.00	392.70	9.21	-59.79
CC1=CC=CC(N2N=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=O)=C1	REAL300005309007	0	55	0.0	-62.96	418.51	9.85	-53.11
CC1=CC=CC(N2N=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=O)=C1	REAL300005309007	1	55	0.0	-65.59	420.44	9.83	-55.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCCCC3=O)C[C@H]2C1	REAL300005309008	0	51	0.0	-59.41	370.45	8.09	-51.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCCCC3=O)C[C@H]2C1	REAL300005309008	1	51	0.0	-77.91	374.61	8.06	-69.85
CCC1=CC=CC=C1N1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1=O	REAL300005309009	0	58	0.0	-71.52	431.02	11.07	-60.45
CCC1=CC=CC=C1N1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1=O	REAL300005309009	1	58	0.0	-79.68	434.96	11.07	-68.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C(=O)COC4=CC=CC=C43)C[C@H]2C1	REAL300005309010	0	50	0.0	-75.46	384.96	7.83	-67.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C(=O)COC4=CC=CC=C43)C[C@H]2C1	REAL300005309010	1	50	0.0	-81.83	384.60	7.76	-74.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CSCC3=O)C[C@H]2C1	REAL300005309011	0	43	0.0	-69.38	340.08	6.44	-62.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CSCC3=O)C[C@H]2C1	REAL300005309011	1	43	0.0	-67.30	338.94	6.26	-61.04
CC(=O)N1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309012	0	51	0.0	-72.85	369.39	7.11	-65.74
CC(=O)N1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309012	1	51	0.0	-70.68	366.21	7.00	-63.68
CC1=CC=CC2=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN21	REAL300005309013	0	47	0.0	-58.24	360.27	9.73	-48.51
CC1=CC=CC2=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN21	REAL300005309013	1	47	0.0	-71.02	357.79	9.53	-61.49
CC(C1=CC=CC=C1)N1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1=O	REAL300005309014	0	58	0.0	-72.73	429.28	10.70	-62.03
CC(C1=CC=CC=C1)N1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1=O	REAL300005309014	1	58	0.0	-71.48	427.62	10.76	-60.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(C4CCCC4)C3)C[C@H]2C1	REAL300005309015	0	55	0.0	-59.86	397.12	8.72	-51.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(C4CCCC4)C3)C[C@H]2C1	REAL300005309015	1	55	0.0	-67.21	399.33	8.69	-58.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(C4CC4)C3)C[C@H]2C1	REAL300005309016	0	49	0.0	-66.90	362.66	7.44	-59.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(C4CC4)C3)C[C@H]2C1	REAL300005309016	1	49	0.0	-72.17	363.83	7.36	-64.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4CCCC4=O)C=C3)C[C@H]2C1	REAL300005309017	0	55	0.0	-81.63	416.76	9.76	-71.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4CCCC4=O)C=C3)C[C@H]2C1	REAL300005309017	1	55	0.0	-79.36	411.27	9.49	-69.87
CC(=O)NC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C)C=C1	REAL300005309018	0	57	0.0	-72.60	427.47	9.14	-63.46
CC(=O)NC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C)C=C1	REAL300005309018	1	57	0.0	-69.52	439.11	9.47	-60.05
CC1=CC2=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN2C=C1	REAL300005309019	0	47	0.0	-57.71	361.60	9.92	-47.79
CC1=CC2=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN2C=C1	REAL300005309019	1	47	0.0	-69.32	362.02	9.78	-59.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=CC=CN=C4)=N3)C[C@H]2C1	REAL300005309020	0	49	0.0	-73.44	397.31	8.27	-65.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=CC=CN=C4)=N3)C[C@H]2C1	REAL300005309020	1	49	0.0	-77.09	396.49	8.21	-68.88
CSC1=NC(C)=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005309021	0	55	0.0	-73.60	426.19	9.38	-64.22
CSC1=NC(C)=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005309021	1	55	0.0	-68.11	426.26	9.30	-58.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005309022	0	54	0.0	-70.20	403.53	6.22	-63.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005309022	1	54	0.0	-74.80	403.48	5.89	-68.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C4=CC=CC=C4OCCC3=O)C[C@H]2C1	REAL300005309023	0	53	0.0	-88.93	402.45	8.50	-80.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C4=CC=CC=C4OCCC3=O)C[C@H]2C1	REAL300005309023	1	53	0.0	-80.39	403.60	8.45	-71.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=CSC=C4)=N3)C[C@H]2C1	REAL300005309024	0	47	0.0	-69.66	393.20	8.97	-60.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=CSC=C4)=N3)C[C@H]2C1	REAL300005309024	1	47	0.0	-73.46	392.50	8.91	-64.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NN=C(C4=CC=CC=C4)O3)C[C@H]2C1	REAL300005309025	0	52	0.0	-75.35	409.73	5.84	-69.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NN=C(C4=CC=CC=C4)O3)C[C@H]2C1	REAL300005309025	1	52	0.0	-72.87	409.92	5.89	-66.98
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC2=C1C(=O)N(C)C=N2	REAL300005309026	0	49	0.0	-68.26	379.14	8.60	-59.66
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC2=C1C(=O)N(C)C=N2	REAL300005309026	1	49	0.0	-78.86	379.22	8.44	-70.42
COC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309027	0	45	0.0	-69.41	339.81	8.15	-61.26
COC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309027	1	45	0.0	-67.24	340.18	8.05	-59.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC=CC=C34)C[C@H]2C1	REAL300005309028	0	48	0.0	-74.93	368.42	9.11	-65.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC=CC=C34)C[C@H]2C1	REAL300005309028	1	48	0.0	-69.29	370.00	9.07	-60.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4C=CC=CC4=N3)C[C@H]2C1	REAL300005309029	0	44	0.0	-61.60	338.43	9.24	-52.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4C=CC=CC4=N3)C[C@H]2C1	REAL300005309029	1	44	0.0	-61.17	339.31	9.29	-51.88
CC1SC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2NC1=O	REAL300005309030	0	50	0.0	-66.37	385.80	8.00	-58.37
CC1SC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2NC1=O	REAL300005309030	1	50	0.0	-71.45	387.68	7.73	-63.72
CCN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2C1=O	REAL300005309031	0	52	0.0	-62.05	393.62	8.89	-53.16
CCN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2C1=O	REAL300005309031	1	52	0.0	-66.56	395.73	8.80	-57.76
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC1=O	REAL300005309032	0	43	0.0	-63.05	330.95	5.66	-57.39
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC1=O	REAL300005309032	1	43	0.0	-59.09	331.16	5.68	-53.41
COCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005309033	0	51	0.0	-57.64	392.62	8.56	-49.08
COCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005309033	1	51	0.0	-67.04	393.04	8.45	-58.59
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309034	0	50	0.0	-80.84	389.10	6.15	-74.69
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309034	1	50	0.0	-73.26	391.06	6.10	-67.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC=C3F)C[C@H]2C1	REAL300005309035	0	41	0.0	-76.45	322.27	8.12	-68.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC=C3F)C[C@H]2C1	REAL300005309035	1	41	0.0	-74.06	321.92	8.20	-65.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NOC4=CC=CC=C43)C[C@H]2C1	REAL300005309036	0	46	0.0	-66.71	361.98	8.40	-58.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NOC4=CC=CC=C43)C[C@H]2C1	REAL300005309036	1	46	0.0	-78.87	361.16	8.36	-70.51
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=C(N=CN(C)C2=O)O1	REAL300005309037	0	49	0.0	-58.25	384.46	6.89	-51.36
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=C(N=CN(C)C2=O)O1	REAL300005309037	1	49	0.0	-93.11	387.16	6.62	-86.49
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1=O	REAL300005309038	0	45	0.0	-55.53	341.21	6.08	-49.45
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1=O	REAL300005309038	1	45	0.0	-64.48	341.56	5.62	-58.86
CC1=NOC2=NC(C)=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005309039	0	48	0.0	-79.66	365.77	5.58	-74.08
CC1=NOC2=NC(C)=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005309039	1	48	0.0	-65.64	366.92	5.62	-60.02
CC(C)N1N=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C21	REAL300005309040	0	52	0.0	-57.37	397.13	8.68	-48.69
CC(C)N1N=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C21	REAL300005309040	1	52	0.0	-70.47	394.63	8.57	-61.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4OCCC4=C3)C[C@H]2C1	REAL300005309041	0	49	0.0	-66.81	374.34	8.93	-57.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4OCCC4=C3)C[C@H]2C1	REAL300005309041	1	49	0.0	-66.13	372.55	8.89	-57.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)NC4=CC=CC=C43)C[C@H]2C1	REAL300005309042	0	49	0.0	-86.07	373.03	7.23	-78.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)NC4=CC=CC=C43)C[C@H]2C1	REAL300005309042	1	49	0.0	-68.19	373.52	7.13	-61.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4N=CC=CN4N=C3)C[C@H]2C1	REAL300005309043	0	43	0.0	-70.12	330.49	7.27	-62.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4N=CC=CN4N=C3)C[C@H]2C1	REAL300005309043	1	43	0.0	-83.04	331.07	6.92	-76.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC=CC4=C3)C[C@H]2C1	REAL300005309044	0	45	0.0	-64.71	338.47	7.95	-56.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC=CC4=C3)C[C@H]2C1	REAL300005309044	1	45	0.0	-70.26	338.65	7.83	-62.43
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005309045	0	44	0.0	-72.41	340.38	5.70	-66.71
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005309045	1	44	0.0	-67.45	343.68	5.72	-61.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=CNC4=C3)C[C@H]2C1	REAL300005309046	0	45	0.0	-67.75	342.66	8.08	-59.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=CNC4=C3)C[C@H]2C1	REAL300005309046	1	45	0.0	-65.82	342.91	7.97	-57.85
CN1N=NC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005309047	0	46	0.0	-60.07	355.35	6.50	-53.57
CN1N=NC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005309047	1	46	0.0	-69.78	355.58	6.40	-63.38
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC1=O	REAL300005309048	0	44	0.0	-63.20	342.42	7.08	-56.12
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC1=O	REAL300005309048	1	44	0.0	-64.84	342.20	6.99	-57.85
CN1C(=O)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005309049	0	50	0.0	-79.73	380.50	8.86	-70.87
CN1C(=O)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005309049	1	50	0.0	-76.96	381.25	8.79	-68.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CC#N)=C3)C[C@H]2C1	REAL300005309050	0	45	0.0	-75.50	350.76	9.11	-66.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CC#N)=C3)C[C@H]2C1	REAL300005309050	1	45	0.0	-75.19	349.82	9.00	-66.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCO4)C[C@H]2C1	REAL300005309051	0	44	0.0	-74.83	335.06	6.67	-68.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCO4)C[C@H]2C1	REAL300005309051	1	44	0.0	-70.08	334.46	6.55	-63.53
CC(OC1=CC=CC(C#N)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309052	0	49	0.0	-66.08	380.11	10.13	-55.95
CC(OC1=CC=CC(C#N)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309052	1	49	0.0	-73.64	380.20	9.66	-63.98
CC1=NSC2=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005309053	0	45	0.0	-65.87	355.69	6.72	-59.15
CC1=NSC2=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005309053	1	45	0.0	-70.55	350.94	6.55	-64.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(N)=O)C=N3)C[C@H]2C1	REAL300005309054	0	44	0.0	-65.03	341.31	3.86	-61.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(N)=O)C=N3)C[C@H]2C1	REAL300005309054	1	44	0.0	-70.38	341.72	3.74	-66.64
CC1=NN=C2C=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN12	REAL300005309055	0	46	0.0	-62.30	359.90	9.75	-52.55
CC1=NN=C2C=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN12	REAL300005309055	1	46	0.0	-75.24	359.86	9.40	-65.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(N)=O)S3)C[C@H]2C1	REAL300005309056	0	42	0.0	-58.44	338.91	3.82	-54.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(N)=O)S3)C[C@H]2C1	REAL300005309056	1	42	0.0	-70.30	337.43	3.84	-66.46
CC1OC2=C(C=CC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC1=O	REAL300005309057	0	50	0.0	-66.64	380.55	7.03	-59.61
CC1OC2=C(C=CC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC1=O	REAL300005309057	1	50	0.0	-82.46	379.85	6.90	-75.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CC4)S3)C[C@H]2C1	REAL300005309058	0	44	0.0	-54.41	349.23	7.57	-46.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CC4)S3)C[C@H]2C1	REAL300005309058	1	44	0.0	-64.06	348.11	7.43	-56.63
CCN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC1=O	REAL300005309059	0	46	0.0	-62.96	352.04	6.56	-56.40
CCN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC1=O	REAL300005309059	1	46	0.0	-59.13	352.96	6.58	-52.55
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=CO1	REAL300005309060	0	46	0.0	-70.08	346.99	6.00	-64.08
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=CO1	REAL300005309060	1	46	0.0	-66.44	348.80	5.75	-60.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4CC4)=N3)C[C@H]2C1	REAL300005309061	0	46	0.0	-56.72	354.07	8.53	-48.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4CC4)=N3)C[C@H]2C1	REAL300005309061	1	46	0.0	-66.97	353.42	8.54	-58.43
CC1=NOC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309062	0	43	0.0	-56.76	335.78	7.58	-49.18
CC1=NOC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309062	1	43	0.0	-70.70	333.32	7.03	-63.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NNN=C4C=C3)C[C@H]2C1	REAL300005309063	0	43	0.0	-51.69	325.52	5.14	-46.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NNN=C4C=C3)C[C@H]2C1	REAL300005309063	1	43	0.0	-70.59	328.23	5.24	-65.35
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N1C	REAL300005309064	0	45	0.0	-74.24	333.16	7.96	-66.28
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N1C	REAL300005309064	1	45	0.0	-71.29	331.67	7.98	-63.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=C4)N=N3)C[C@H]2C1	REAL300005309065	0	47	0.0	-54.78	367.15	8.24	-46.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=C4)N=N3)C[C@H]2C1	REAL300005309065	1	47	0.0	-66.20	367.58	8.13	-58.07
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1	REAL300005309066	0	49	0.0	-82.32	368.16	7.55	-74.77
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1	REAL300005309066	1	49	0.0	-63.86	368.62	7.56	-56.30
COC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1	REAL300005309067	0	53	0.0	-70.81	401.69	8.24	-62.57
COC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1	REAL300005309067	1	53	0.0	-69.05	403.83	8.16	-60.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005309068	0	49	0.0	-75.52	389.86	9.30	-66.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005309068	1	49	0.0	-73.06	390.05	9.35	-63.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005309069	0	52	0.0	-79.80	412.50	10.10	-69.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005309069	1	52	0.0	-72.11	412.58	10.03	-62.08
CC(=O)C1=C(C)NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005309070	0	50	0.0	-63.40	380.18	8.11	-55.29
CC(=O)C1=C(C)NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005309070	1	50	0.0	-66.24	375.99	8.19	-58.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C(=O)CC3)C[C@H]2C1	REAL300005309071	0	52	0.0	-56.58	399.66	9.22	-47.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C(=O)CC3)C[C@H]2C1	REAL300005309071	1	52	0.0	-65.28	399.23	9.16	-56.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SCC(=O)NC4=C3)C[C@H]2C1	REAL300005309072	0	47	0.0	-66.97	366.34	7.27	-59.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SCC(=O)NC4=C3)C[C@H]2C1	REAL300005309072	1	47	0.0	-72.13	368.21	6.99	-65.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309073	0	51	0.0	-83.68	409.99	8.03	-75.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309073	1	51	0.0	-78.41	410.18	8.09	-70.32
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1C	REAL300005309074	0	52	0.0	-62.58	384.31	7.64	-54.94
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1C	REAL300005309074	1	52	0.0	-69.02	384.90	7.22	-61.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005309075	0	51	0.0	-71.62	398.80	8.73	-62.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005309075	1	51	0.0	-72.82	402.00	8.68	-64.14
CC(=O)C1=CC=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309076	0	50	0.0	-81.18	387.47	9.52	-71.66
CC(=O)C1=CC=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309076	1	50	0.0	-77.87	389.48	9.44	-68.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC(C(F)(F)F)=N3)C[C@H]2C1	REAL300005309077	0	44	0.0	-88.27	358.01	7.42	-80.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC(C(F)(F)F)=N3)C[C@H]2C1	REAL300005309077	1	44	0.0	-79.53	359.15	7.37	-72.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005309078	0	51	0.0	-69.68	389.14	8.73	-60.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005309078	1	51	0.0	-68.06	391.30	8.66	-59.40
CCN1N=NC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005309079	0	49	0.0	-59.57	377.19	7.38	-52.19
CCN1N=NC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005309079	1	49	0.0	-69.56	377.37	7.27	-62.29
CC1OC2=CC=CC=C2OC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309080	0	50	0.0	-57.68	371.71	9.20	-48.48
CC1OC2=CC=CC=C2OC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309080	1	50	0.0	-73.04	360.08	9.07	-63.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC(=O)C4CC4)C=C3)C[C@H]2C1	REAL300005309081	0	52	0.0	-78.65	396.11	8.49	-70.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC(=O)C4CC4)C=C3)C[C@H]2C1	REAL300005309081	1	52	0.0	-67.97	394.45	8.32	-59.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC(=O)C4CC4)=C3)C[C@H]2C1	REAL300005309082	0	52	0.0	-76.26	395.72	8.45	-67.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC(=O)C4CC4)=C3)C[C@H]2C1	REAL300005309082	1	52	0.0	-78.57	394.24	8.32	-70.25
COC1=CC=C(OC)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309083	0	49	0.0	-57.81	366.35	7.69	-50.12
COC1=CC=C(OC)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309083	1	49	0.0	-69.79	369.82	7.37	-62.42
CC1=NOC(C)=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309084	0	49	0.0	-62.90	375.71	9.05	-53.85
CC1=NOC(C)=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309084	1	49	0.0	-70.63	375.51	8.69	-61.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C3=CC=CS3)C[C@H]2C1	REAL300005309085	0	48	0.0	-73.82	385.66	6.92	-66.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C3=CC=CS3)C[C@H]2C1	REAL300005309085	1	48	0.0	-77.96	385.61	6.58	-71.38
CC1=NOC(C)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309086	0	46	0.0	-71.72	355.15	7.90	-63.82
CC1=NOC(C)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309086	1	46	0.0	-71.58	351.49	7.97	-63.61
CCC1=NOC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309087	0	46	0.0	-59.23	353.22	7.86	-51.37
CCC1=NOC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309087	1	46	0.0	-69.55	358.61	7.90	-61.65
CN1C=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005309088	0	45	0.0	-67.25	348.28	7.42	-59.83
CN1C=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005309088	1	45	0.0	-67.77	350.43	7.35	-60.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C3=CSC=C3)C[C@H]2C1	REAL300005309089	0	48	0.0	-84.81	384.61	6.43	-78.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C3=CSC=C3)C[C@H]2C1	REAL300005309089	1	48	0.0	-79.71	384.80	6.48	-73.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=CC=CC=C4)=NO3)C[C@H]2C1	REAL300005309090	0	52	0.0	-73.08	409.09	8.51	-64.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=CC=CC=C4)=NO3)C[C@H]2C1	REAL300005309090	1	52	0.0	-70.37	409.28	8.56	-61.81
CCS(=O)(=O)N1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309091	0	55	0.0	-54.46	415.70	5.83	-48.63
CCS(=O)(=O)N1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309091	1	55	0.0	-64.47	416.15	5.79	-58.68
CC1=CC=C(C(=O)CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005309092	0	55	0.0	-59.15	417.02	11.29	-47.86
CC1=CC=C(C(=O)CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005309092	1	55	0.0	-68.33	416.97	10.95	-57.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309093	0	48	0.0	-82.51	382.00	8.24	-74.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309093	1	48	0.0	-71.63	379.42	8.36	-63.27
CCC1=CC=C(N2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=O)C=C1	REAL300005309094	0	58	0.0	-73.62	431.03	10.61	-63.01
CCC1=CC=C(N2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=O)C=C1	REAL300005309094	1	58	0.0	-69.97	429.63	10.71	-59.26
CC1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309095	0	43	0.0	-58.92	332.70	6.95	-51.97
CC1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309095	1	43	0.0	-67.19	333.77	6.48	-60.71
CN1C(=O)C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C1=O	REAL300005309096	0	48	0.0	-57.63	372.05	7.54	-50.09
CN1C(=O)C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C1=O	REAL300005309096	1	48	0.0	-79.03	374.15	7.26	-71.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(C4=CC=CC=C4F)C3)C[C@H]2C1	REAL300005309097	0	52	0.0	-70.14	401.95	9.54	-60.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)N(C4=CC=CC=C4F)C3)C[C@H]2C1	REAL300005309097	1	52	0.0	-72.78	401.03	9.52	-63.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C(=O)COC4=CC=CC=C43)C[C@H]2C1	REAL300005309098	0	53	0.0	-79.98	403.27	8.23	-71.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C(=O)COC4=CC=CC=C43)C[C@H]2C1	REAL300005309098	1	53	0.0	-76.02	404.58	8.18	-67.84
CC1=NC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2N=C1C	REAL300005309099	0	51	0.0	-69.05	383.87	7.52	-61.53
CC1=NC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2N=C1C	REAL300005309099	1	51	0.0	-64.30	382.67	7.40	-56.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=CSC=C4)=NO3)C[C@H]2C1	REAL300005309100	0	49	0.0	-72.74	399.30	7.40	-65.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=CSC=C4)=NO3)C[C@H]2C1	REAL300005309100	1	49	0.0	-69.97	399.49	7.45	-62.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=CC=CS4)=NO3)C[C@H]2C1	REAL300005309101	0	49	0.0	-73.26	400.00	7.52	-65.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=CC=CS4)=NO3)C[C@H]2C1	REAL300005309101	1	49	0.0	-70.59	400.19	7.56	-63.03
COC1=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1	REAL300005309102	0	53	0.0	-60.40	406.12	8.18	-52.22
COC1=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1	REAL300005309102	1	53	0.0	-66.13	405.76	8.11	-58.02
CC(=O)C1=CN(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309103	0	47	0.0	-73.23	358.76	8.02	-65.21
CC(=O)C1=CN(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309103	1	47	0.0	-69.69	357.50	7.89	-61.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005309104	0	50	0.0	-86.28	393.77	7.70	-78.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005309104	1	50	0.0	-80.79	394.81	7.66	-73.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Cl)=C4OCCOC4=C3)C[C@H]2C1	REAL300005309105	0	50	0.0	-68.65	398.93	8.79	-59.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Cl)=C4OCCOC4=C3)C[C@H]2C1	REAL300005309105	1	50	0.0	-67.80	397.13	8.75	-59.05
CCN1C(=O)N(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005309106	0	54	0.0	-76.71	419.87	10.74	-65.97
CCN1C(=O)N(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005309106	1	54	0.0	-64.09	417.15	10.68	-53.41
COC1=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)N=C2C=C1	REAL300005309107	0	53	0.0	-67.61	397.73	8.26	-59.35
COC1=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)N=C2C=C1	REAL300005309107	1	53	0.0	-70.42	398.45	8.44	-61.98
CC1=NN(C)C(C)=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309108	0	53	0.0	-75.66	399.10	8.61	-67.05
CC1=NN(C)C(C)=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309108	1	53	0.0	-72.97	400.27	8.70	-64.27
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309109	0	50	0.0	-77.73	391.64	9.66	-68.07
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309109	1	50	0.0	-66.92	388.85	9.73	-57.19
CC(=O)NC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CS1	REAL300005309110	0	51	0.0	-65.09	408.72	7.72	-57.37
CC(=O)NC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CS1	REAL300005309110	1	51	0.0	-74.96	407.55	7.69	-67.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NC=CC=C34)C[C@H]2C1	REAL300005309111	0	46	0.0	-59.79	348.65	8.72	-51.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NC=CC=C34)C[C@H]2C1	REAL300005309111	1	46	0.0	-77.29	347.95	8.38	-68.91
CC1=CC=C(C2=CN=C(CCC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)O2)C=C1	REAL300005309112	0	56	0.0	-73.62	434.78	9.03	-64.59
CC1=CC=C(C2=CN=C(CCC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)O2)C=C1	REAL300005309112	1	56	0.0	-70.96	434.97	9.08	-61.88
CC1=NN(C)C(Cl)=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309113	0	48	0.0	-58.69	388.71	8.36	-50.33
CC1=NN(C)C(Cl)=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309113	1	48	0.0	-65.08	388.34	8.32	-56.76
CN1C(=O)N(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005309114	0	51	0.0	-77.98	395.65	9.77	-68.21
CN1C(=O)N(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005309114	1	51	0.0	-81.71	396.92	9.74	-71.97
CC(=O)NC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309115	0	52	0.0	-74.47	400.66	8.49	-65.98
CC(=O)NC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309115	1	52	0.0	-72.02	403.08	8.41	-63.61
CC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CS2)O1	REAL300005309116	0	50	0.0	-64.63	405.86	7.13	-57.50
CC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CS2)O1	REAL300005309116	1	50	0.0	-67.85	405.17	7.09	-60.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C4NC(=O)CCC4=C3)C[C@H]2C1	REAL300005309117	0	53	0.0	-82.52	406.70	8.22	-74.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C4NC(=O)CCC4=C3)C[C@H]2C1	REAL300005309117	1	53	0.0	-72.67	406.56	8.14	-64.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]2C1	REAL300005309118	0	53	0.0	-83.43	396.32	6.45	-76.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]2C1	REAL300005309118	1	53	0.0	-78.42	396.51	6.51	-71.91
CC(C)C1=NOC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309119	0	51	0.0	-71.75	392.08	6.54	-65.21
CC(C)C1=NOC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309119	1	51	0.0	-68.82	392.26	6.59	-62.23
COC1=CC=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309120	0	49	0.0	-68.68	377.05	8.32	-60.36
COC1=CC=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309120	1	49	0.0	-75.26	377.40	8.27	-66.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(CC4=CC=CC=C4)C(=O)CC3)C[C@H]2C1	REAL300005309121	0	55	0.0	-62.44	421.14	9.63	-52.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(CC4=CC=CC=C4)C(=O)CC3)C[C@H]2C1	REAL300005309121	1	55	0.0	-66.07	422.29	9.53	-56.54
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1	REAL300005309122	0	52	0.0	-68.65	409.35	6.80	-61.85
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1	REAL300005309122	1	52	0.0	-71.31	411.34	6.72	-64.59
COC1=CC=CC(SCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309123	0	49	0.0	-66.07	386.65	8.88	-57.19
COC1=CC=CC(SCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309123	1	49	0.0	-68.98	385.81	8.81	-60.17
CC1=NC2=CC(F)=CC=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309124	0	49	0.0	-59.10	377.35	9.08	-50.02
CC1=NC2=CC(F)=CC=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309124	1	49	0.0	-74.96	374.00	8.89	-66.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CN=CO4)C=C3)C[C@H]2C1	REAL300005309125	0	47	0.0	-73.56	363.62	6.39	-67.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CN=CO4)C=C3)C[C@H]2C1	REAL300005309125	1	47	0.0	-63.51	358.54	6.45	-57.06
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309126	0	53	0.0	-73.62	409.09	7.03	-66.59
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309126	1	53	0.0	-76.80	403.33	6.74	-70.06
CNC(=O)C1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309127	0	52	0.0	-75.74	401.08	7.87	-67.87
CNC(=O)C1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309127	1	52	0.0	-72.49	403.23	7.79	-64.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(C(=O)NC4CC4)C=C3)C[C@H]2C1	REAL300005309128	0	56	0.0	-69.17	435.19	9.57	-59.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(C(=O)NC4CC4)C=C3)C[C@H]2C1	REAL300005309128	1	56	0.0	-71.82	434.83	9.50	-62.32
CC1=NN(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)CC1	REAL300005309129	0	53	0.0	-74.52	399.37	9.45	-65.07
CC1=NN(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)CC1	REAL300005309129	1	53	0.0	-65.08	399.41	9.35	-55.73
CN(C)C(=O)N1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309130	0	56	0.0	-76.21	399.21	7.44	-68.77
CN(C)C(=O)N1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309130	1	56	0.0	-77.29	397.48	7.36	-69.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C(=O)N4CCCC4)CC3)C[C@H]2C1	REAL300005309131	0	60	0.0	-67.80	428.46	8.54	-59.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C(=O)N4CCCC4)CC3)C[C@H]2C1	REAL300005309131	1	60	0.0	-72.85	422.79	8.43	-64.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C(=O)N4CCCC4)C3)C[C@H]2C1	REAL300005309132	0	60	0.0	-69.67	423.40	8.36	-61.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C(=O)N4CCCC4)C3)C[C@H]2C1	REAL300005309132	1	60	0.0	-65.89	426.72	8.53	-57.36
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1S(C)(=O)=O	REAL300005309133	0	50	0.0	-66.65	378.78	6.02	-60.63
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1S(C)(=O)=O	REAL300005309133	1	50	0.0	-78.07	379.29	5.93	-72.14
CC1=NN2C(=C1C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)N=C(C)C=C2C	REAL300005309134	0	52	0.0	-69.88	402.69	9.01	-60.87
CC1=NN2C(=C1C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)N=C(C)C=C2C	REAL300005309134	1	52	0.0	-73.22	404.94	8.94	-64.28
CN1C=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005309135	0	47	0.0	-63.74	361.25	8.06	-55.68
CN1C=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005309135	1	47	0.0	-70.08	361.19	7.71	-62.37
CC1=CN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005309136	0	44	0.0	-85.18	340.04	7.18	-78.00
CC1=CN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005309136	1	44	0.0	-79.19	341.06	7.12	-72.07
CSC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C=CC=CN12	REAL300005309137	0	48	0.0	-64.89	378.97	10.30	-54.59
CSC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C=CC=CN12	REAL300005309137	1	48	0.0	-72.60	377.67	10.12	-62.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4C=CC=C4)=C3)C[C@H]2C1	REAL300005309138	0	49	0.0	-83.87	369.49	10.72	-73.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4C=CC=C4)=C3)C[C@H]2C1	REAL300005309138	1	49	0.0	-70.97	368.45	10.59	-60.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005309139	0	47	0.0	-68.43	367.33	9.62	-58.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005309139	1	47	0.0	-65.16	369.03	9.47	-55.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC(=O)CCC4=C3)C[C@H]2C1	REAL300005309140	0	49	0.0	-70.60	366.88	7.09	-63.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC(=O)CCC4=C3)C[C@H]2C1	REAL300005309140	1	49	0.0	-70.07	367.33	7.01	-63.06
C=CCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005309141	0	53	0.0	-67.50	402.55	8.67	-58.83
C=CCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005309141	1	53	0.0	-74.54	401.63	8.71	-65.83
CC(=O)N1CCC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005309142	0	52	0.0	-66.52	386.39	9.02	-57.50
CC(=O)N1CCC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005309142	1	52	0.0	-69.60	388.49	8.97	-60.63
CN1C=C(Br)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309143	0	42	0.0	-71.55	335.39	8.12	-63.43
CN1C=C(Br)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309143	1	42	0.0	-60.28	329.90	8.19	-52.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC(Cl)=CC=C3Cl)C[C@H]2C1	REAL300005309144	0	45	0.0	-65.15	380.30	10.07	-55.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC(Cl)=CC=C3Cl)C[C@H]2C1	REAL300005309144	1	45	0.0	-71.42	380.66	10.03	-61.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(S(N)(=O)=O)=C3)C[C@H]2C1	REAL300005309145	0	43	0.0	-61.49	354.50	1.92	-59.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(S(N)(=O)=O)=C3)C[C@H]2C1	REAL300005309145	1	43	0.0	-66.38	354.69	1.81	-64.57
C=CCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300005309146	0	56	0.0	-64.68	421.76	9.15	-55.53
C=CCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300005309146	1	56	0.0	-75.32	421.83	9.20	-66.12
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309147	0	47	0.0	-64.39	375.39	10.95	-53.44
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309147	1	47	0.0	-86.31	378.12	10.69	-75.62
COCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309148	0	45	0.0	-60.03	347.89	6.27	-53.76
COCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309148	1	45	0.0	-66.74	346.72	6.11	-60.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005309149	0	47	0.0	-74.14	375.53	10.07	-64.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005309149	1	47	0.0	-68.75	377.04	10.04	-58.71
CC(C)=CC1C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1(C)C	REAL300005309150	0	54	0.0	-60.44	390.38	10.82	-49.62
CC(C)=CC1C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1(C)C	REAL300005309150	1	54	0.0	-68.94	392.01	10.39	-58.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3S(C)(=O)=O)C[C@H]2C1	REAL300005309151	0	52	0.0	-71.76	382.06	5.80	-65.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3S(C)(=O)=O)C[C@H]2C1	REAL300005309151	1	52	0.0	-79.17	382.46	5.68	-73.49
CC(=O)NC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300005309152	0	54	0.0	-66.67	389.50	7.18	-59.49
CC(=O)NC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300005309152	1	54	0.0	-72.18	390.08	7.19	-64.99
COC1=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C	REAL300005309153	0	51	0.0	-75.42	386.09	9.10	-66.32
COC1=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C	REAL300005309153	1	51	0.0	-65.16	385.33	9.06	-56.10
COC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005309154	0	51	0.0	-63.78	394.16	9.65	-54.13
COC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005309154	1	51	0.0	-69.23	394.11	9.30	-59.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC(Cl)=CC=C3Cl)C[C@H]2C1	REAL300005309155	0	45	0.0	-65.56	375.65	10.53	-55.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC(Cl)=CC=C3Cl)C[C@H]2C1	REAL300005309155	1	45	0.0	-64.51	377.80	10.45	-54.06
CC(C)C1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309156	0	56	0.0	-61.01	418.65	12.20	-48.81
CC(C)C1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309156	1	56	0.0	-68.64	418.61	11.85	-56.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC(Cl)=CC(Cl)=C3)C[C@H]2C1	REAL300005309157	0	45	0.0	-59.35	380.65	10.62	-48.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC(Cl)=CC(Cl)=C3)C[C@H]2C1	REAL300005309157	1	45	0.0	-63.38	380.28	10.54	-52.84
COC1=CC=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309158	0	51	0.0	-61.69	387.94	9.57	-52.12
COC1=CC=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309158	1	51	0.0	-68.92	387.88	9.22	-59.70
CC1=CC=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309159	0	50	0.0	-61.07	379.84	10.94	-50.13
CC1=CC=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309159	1	50	0.0	-68.75	379.78	10.59	-58.16
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005309160	0	51	0.0	-56.65	385.97	9.61	-47.04
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005309160	1	51	0.0	-71.78	383.91	9.59	-62.19
COC1=CC=C(SCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309161	0	52	0.0	-62.76	406.70	10.02	-52.74
COC1=CC=C(SCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309161	1	52	0.0	-69.15	406.66	9.67	-59.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309162	0	47	0.0	-61.74	375.16	10.79	-50.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309162	1	47	0.0	-68.00	375.11	10.44	-57.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309163	0	47	0.0	-60.76	375.16	10.78	-49.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309163	1	47	0.0	-67.15	375.11	10.43	-56.72
CC1=CC(C)=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C1	REAL300005309164	0	51	0.0	-59.05	382.80	10.09	-48.96
CC1=CC(C)=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C1	REAL300005309164	1	51	0.0	-71.80	383.26	9.75	-62.05
CC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C1	REAL300005309165	0	48	0.0	-59.22	361.99	9.45	-49.77
CC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C1	REAL300005309165	1	48	0.0	-67.36	363.06	9.02	-58.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC(C4=CC=CS4)=N3)C[C@H]2C1	REAL300005309166	0	47	0.0	-77.02	382.63	6.65	-70.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC(C4=CC=CS4)=N3)C[C@H]2C1	REAL300005309166	1	47	0.0	-81.12	385.83	6.60	-74.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCSC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309167	0	51	0.0	-75.78	415.21	11.62	-64.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCSC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309167	1	51	0.0	-71.43	415.40	11.67	-59.76
CC1=CC=C(C(=O)CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309168	0	52	0.0	-70.18	399.82	10.38	-59.80
CC1=CC=C(C(=O)CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309168	1	52	0.0	-68.07	400.00	10.43	-57.64
CC(=O)C1=CC=C(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309169	0	56	0.0	-83.53	430.76	9.97	-73.56
CC(=O)C1=CC=C(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309169	1	56	0.0	-78.29	428.72	9.92	-68.37
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300005309170	0	55	0.0	-67.30	408.42	8.78	-58.52
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300005309170	1	55	0.0	-70.52	406.04	8.55	-61.97
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309171	0	54	0.0	-63.06	399.44	6.82	-56.24
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309171	1	54	0.0	-69.25	406.44	6.99	-62.26
CCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005309172	0	58	0.0	-67.28	432.64	9.66	-57.62
CCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005309172	1	58	0.0	-74.32	431.72	9.70	-64.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)S3)C[C@H]2C1	REAL300005309173	0	38	0.0	-74.06	315.11	7.51	-66.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)S3)C[C@H]2C1	REAL300005309173	1	38	0.0	-65.03	313.19	7.53	-57.50
COC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309174	0	55	0.0	-78.54	417.66	8.75	-69.79
COC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309174	1	55	0.0	-74.05	417.85	8.80	-65.25
CCOC1=CC=CC=C1OCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309175	0	58	0.0	-81.13	439.27	10.29	-70.84
CCOC1=CC=CC=C1OCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309175	1	58	0.0	-76.65	439.45	10.33	-66.32
CC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309176	0	54	0.0	-67.90	409.80	10.54	-57.36
CC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309176	1	54	0.0	-73.00	409.76	10.19	-62.81
CC1=CC=CC(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309177	0	54	0.0	-77.58	409.58	10.14	-67.44
CC1=CC=CC(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309177	1	54	0.0	-70.80	410.89	10.09	-60.71
CC(C)CCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309178	0	57	0.0	-69.81	421.16	10.34	-59.47
CC(C)CCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309178	1	57	0.0	-69.43	415.65	10.05	-59.38
CCCCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309179	0	60	0.0	-69.78	446.59	11.38	-58.40
CCCCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309179	1	60	0.0	-69.55	441.08	11.09	-58.46
CC(C)OC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309180	0	51	0.0	-67.48	379.53	8.91	-58.57
CC(C)OC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309180	1	51	0.0	-68.88	373.92	8.61	-60.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(=O)C4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005309181	0	53	0.0	-67.58	405.68	11.24	-56.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(=O)C4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005309181	1	53	0.0	-53.64	402.47	11.15	-42.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC([N+](=O)[O-])=CC=C4S3)C[C@H]2C1	REAL300005309182	0	46	0.0	-60.92	375.02	10.07	-50.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC([N+](=O)[O-])=CC=C4S3)C[C@H]2C1	REAL300005309182	1	46	0.0	-68.93	371.10	9.97	-58.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCCCC4=C3)C[C@H]2C1	REAL300005309183	0	51	0.0	-77.76	372.69	10.48	-67.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCCCC4=C3)C[C@H]2C1	REAL300005309183	1	51	0.0	-68.32	370.31	10.32	-58.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC4=CC=CC=C4C(=O)N3)C[C@H]2C1	REAL300005309184	0	52	0.0	-75.77	402.77	8.36	-67.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC4=CC=CC=C4C(=O)N3)C[C@H]2C1	REAL300005309184	1	52	0.0	-72.18	402.95	8.41	-63.77
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005309185	0	50	0.0	-62.29	373.30	10.33	-51.96
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005309185	1	50	0.0	-67.26	371.82	10.36	-56.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=CC=CC=C34)C[C@H]2C1	REAL300005309186	0	44	0.0	-56.33	346.75	9.40	-46.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=CC=CC=C34)C[C@H]2C1	REAL300005309186	1	44	0.0	-75.94	343.37	9.39	-66.55
CC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005309187	0	53	0.0	-71.23	394.98	11.01	-60.22
CC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005309187	1	53	0.0	-68.22	395.13	11.07	-57.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005309188	0	51	0.0	-57.44	387.24	11.24	-46.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005309188	1	51	0.0	-70.21	389.21	11.21	-59.00
CC1=CC=C(F)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309189	0	44	0.0	-55.70	336.63	8.75	-46.95
CC1=CC=C(F)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309189	1	44	0.0	-68.04	334.30	8.73	-59.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCNC4=O)C=C3)C[C@H]2C1	REAL300005309190	0	51	0.0	-67.71	381.60	6.73	-60.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCNC4=O)C=C3)C[C@H]2C1	REAL300005309190	1	51	0.0	-74.57	376.09	6.44	-68.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CCCCC3)C[C@H]2C1	REAL300005309191	0	48	0.0	-59.10	344.77	5.74	-53.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CCCCC3)C[C@H]2C1	REAL300005309191	1	48	0.0	-60.26	342.01	5.50	-54.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3OC(F)F)C[C@H]2C1	REAL300005309192	0	49	0.0	-70.55	382.78	9.22	-61.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3OC(F)F)C[C@H]2C1	REAL300005309192	1	49	0.0	-68.84	384.93	9.15	-59.69
CC1=CC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005309193	0	47	0.0	-59.68	362.39	6.47	-53.21
CC1=CC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005309193	1	47	0.0	-66.96	360.76	6.21	-60.75
CC1=NN(C)C(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309194	0	47	0.0	-62.59	359.89	7.49	-55.10
CC1=NN(C)C(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309194	1	47	0.0	-67.70	360.75	7.17	-60.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C4OCCC4=C3)C[C@H]2C1	REAL300005309195	0	50	0.0	-67.13	380.55	9.45	-57.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C4OCCC4=C3)C[C@H]2C1	REAL300005309195	1	50	0.0	-66.24	382.69	9.37	-56.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC4=CC=CC=C4O3)C[C@H]2C1	REAL300005309196	0	48	0.0	-62.80	374.80	10.16	-52.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC4=CC=CC=C4O3)C[C@H]2C1	REAL300005309196	1	48	0.0	-64.63	376.95	10.10	-54.53
COC1=CC=C(C2=NNC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309197	0	52	0.0	-68.47	391.75	7.68	-60.79
COC1=CC=C(C2=NNC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309197	1	52	0.0	-77.12	392.56	7.32	-69.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C4=C3CCC4)C[C@H]2C1	REAL300005309198	0	55	0.0	-74.95	417.37	11.59	-63.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C4=C3CCC4)C[C@H]2C1	REAL300005309198	1	55	0.0	-72.71	413.74	11.28	-61.43
CC(NC(=O)C1=CC=CS1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309199	0	48	0.0	-58.75	381.36	6.49	-52.26
CC(NC(=O)C1=CC=CS1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309199	1	48	0.0	-69.05	382.51	6.41	-62.64
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005309200	0	44	0.0	-76.80	326.33	6.22	-70.58
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005309200	1	44	0.0	-67.98	328.67	6.14	-61.84
CC(=O)NCCNC(=O)CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309201	0	54	0.0	-65.77	418.63	3.98	-61.79
CC(=O)NCCNC(=O)CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309201	1	54	0.0	-74.41	418.86	3.64	-70.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4=CC=CC=C43)C[C@H]2C1	REAL300005309202	0	51	0.0	-72.28	378.04	10.82	-61.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4=CC=CC=C43)C[C@H]2C1	REAL300005309202	1	51	0.0	-68.96	374.98	10.80	-58.16
CC1=CC=C(Br)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309203	0	44	0.0	-55.04	351.52	9.30	-45.74
CC1=CC=C(Br)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309203	1	44	0.0	-68.01	349.19	9.28	-58.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCC4)NC3=O)C[C@H]2C1	REAL300005309204	0	51	0.0	-65.43	379.38	7.47	-57.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCC4)NC3=O)C[C@H]2C1	REAL300005309204	1	51	0.0	-74.28	382.85	7.57	-66.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309205	0	51	0.0	-72.30	381.72	9.90	-62.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309205	1	51	0.0	-67.17	380.56	9.76	-57.41
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309206	0	48	0.0	-71.20	381.30	10.32	-60.88
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309206	1	48	0.0	-69.69	378.42	10.08	-59.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C(=C3)C(C)(C)CCC4(C)C)C[C@H]2C1	REAL300005309207	0	63	0.0	-63.98	436.82	12.10	-51.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C(=C3)C(C)(C)CCC4(C)C)C[C@H]2C1	REAL300005309207	1	63	0.0	-68.11	436.94	11.98	-56.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC(=O)C(Br)=C3)C[C@H]2C1	REAL300005309208	0	41	0.0	-60.11	336.06	5.52	-54.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC(=O)C(Br)=C3)C[C@H]2C1	REAL300005309208	1	41	0.0	-79.09	342.21	5.88	-73.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CC=C3)C[C@H]2C1	REAL300005309209	0	45	0.0	-70.82	345.13	8.95	-61.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CC=C3)C[C@H]2C1	REAL300005309209	1	45	0.0	-65.98	345.20	8.88	-57.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(NC(=O)C4CC4)C=C3)C[C@H]2C1	REAL300005309210	0	55	0.0	-66.83	425.27	9.55	-57.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(NC(=O)C4CC4)C=C3)C[C@H]2C1	REAL300005309210	1	55	0.0	-79.15	425.50	9.51	-69.64
CC(C)C1=NN(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309211	0	50	0.0	-70.31	371.16	7.66	-62.65
CC(C)C1=NN(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309211	1	50	0.0	-66.46	369.71	7.56	-58.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4F)CC3)C[C@H]2C1	REAL300005309212	0	48	0.0	-69.17	363.62	9.76	-59.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4F)CC3)C[C@H]2C1	REAL300005309212	1	48	0.0	-62.46	363.94	9.85	-52.61
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=CO1	REAL300005309213	0	43	0.0	-57.13	328.37	5.23	-51.90
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=CO1	REAL300005309213	1	43	0.0	-62.33	323.92	5.42	-56.91
CC1=NOC(C2=CC=CC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309214	0	49	0.0	-66.93	379.17	8.33	-58.60
CC1=NOC(C2=CC=CC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309214	1	49	0.0	-66.15	380.39	8.26	-57.89
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005309215	0	43	0.0	-53.95	334.10	3.95	-50.00
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005309215	1	43	0.0	-64.21	334.33	3.82	-60.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCCC4)C[C@H]2C1	REAL300005309216	0	48	0.0	-60.42	347.59	9.49	-50.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCCC4)C[C@H]2C1	REAL300005309216	1	48	0.0	-68.33	349.57	9.34	-58.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CCCCC4)N=C3)C[C@H]2C1	REAL300005309217	0	54	0.0	-63.87	392.80	9.02	-54.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CCCCC4)N=C3)C[C@H]2C1	REAL300005309217	1	54	0.0	-60.33	394.44	8.91	-51.42
CC1=CC=CC=C1N1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005309218	0	51	0.0	-56.66	391.47	10.15	-46.51
CC1=CC=CC=C1N1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005309218	1	51	0.0	-61.37	383.98	10.02	-51.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(SC4=CC=CC=C4)CCCC3)C[C@H]2C1	REAL300005309219	0	55	0.0	-68.95	403.12	11.29	-57.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(SC4=CC=CC=C4)CCCC3)C[C@H]2C1	REAL300005309219	1	55	0.0	-64.52	400.76	11.06	-53.46
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005309220	0	50	0.0	-78.60	386.26	10.34	-68.26
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005309220	1	50	0.0	-74.84	385.42	10.13	-64.71
COC1=CC=CC=C1CC(C)(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309221	0	57	0.0	-74.80	404.06	9.73	-65.07
COC1=CC=CC=C1CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309221	1	57	0.0	-71.35	403.33	9.60	-61.75
COCCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309222	0	52	0.0	-72.70	394.22	7.51	-65.19
COCCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309222	1	52	0.0	-71.49	388.71	7.22	-64.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCCO3)C[C@H]2C1	REAL300005309223	0	51	0.0	-74.20	372.80	8.00	-66.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCCO3)C[C@H]2C1	REAL300005309223	1	51	0.0	-66.25	370.21	8.13	-58.12
CC(CSC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309224	0	51	0.0	-48.79	396.55	10.81	-37.98
CC(CSC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309224	1	51	0.0	-60.50	396.15	10.72	-49.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(F)=CC=C4O3)C[C@H]2C1	REAL300005309225	0	44	0.0	-57.64	347.70	8.90	-48.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(F)=CC=C4O3)C[C@H]2C1	REAL300005309225	1	44	0.0	-66.27	344.56	8.68	-57.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC(F)=CC=C4O3)C[C@H]2C1	REAL300005309226	0	46	0.0	-77.06	353.92	9.23	-67.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC(F)=CC=C4O3)C[C@H]2C1	REAL300005309226	1	46	0.0	-69.85	352.53	9.07	-60.78
CCC(OC1CCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309227	0	54	0.0	-63.85	386.90	9.55	-54.30
CCC(OC1CCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309227	1	54	0.0	-68.88	387.03	9.45	-59.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC4=CN=CC=N4)=C3)C[C@H]2C1	REAL300005309228	0	51	0.0	-72.96	387.75	7.40	-65.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC4=CN=CC=N4)=C3)C[C@H]2C1	REAL300005309228	1	51	0.0	-71.49	388.25	8.43	-63.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309229	0	46	0.0	-79.80	355.04	8.45	-71.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309229	1	46	0.0	-71.93	355.95	8.45	-63.48
CC(C)N1C=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309230	0	47	0.0	-59.70	355.65	7.70	-52.00
CC(C)N1C=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309230	1	47	0.0	-70.29	352.53	7.50	-62.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(C)(=O)=O)O3)C[C@H]2C1	REAL300005309231	0	44	0.0	-64.57	358.09	4.05	-60.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(C)(=O)=O)O3)C[C@H]2C1	REAL300005309231	1	44	0.0	-78.59	354.43	3.82	-74.77
CCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005309232	0	51	0.0	-66.59	379.86	8.94	-57.65
CCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005309232	1	51	0.0	-75.16	379.74	8.99	-66.17
CCN(CC)S(=O)(=O)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309233	0	51	0.0	-86.41	393.60	5.15	-81.26
CCN(CC)S(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309233	1	51	0.0	-81.04	393.79	5.19	-75.85
CC1=NN(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309234	0	44	0.0	-66.45	332.54	6.37	-60.08
CC1=NN(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309234	1	44	0.0	-63.36	326.29	6.44	-56.92
CC1CCCC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005309235	0	54	0.0	-64.48	393.73	9.83	-54.65
CC1CCCC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005309235	1	54	0.0	-68.33	393.01	9.78	-58.55
CC1=NOC(COCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309236	0	46	0.0	-84.88	364.00	5.12	-79.76
CC1=NOC(COCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309236	1	46	0.0	-74.77	363.83	5.05	-69.72
CC1CCC(=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309237	0	51	0.0	-57.70	368.96	9.77	-47.93
CC1CCC(=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309237	1	51	0.0	-65.58	365.27	9.61	-55.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=CN4N=CC=C4C3=O)C[C@H]2C1	REAL300005309238	0	46	0.0	-79.77	364.90	7.25	-72.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=CN4N=CC=C4C3=O)C[C@H]2C1	REAL300005309238	1	46	0.0	-68.50	362.50	7.34	-61.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]2C1	REAL300005309239	0	46	0.0	-86.61	340.56	3.79	-82.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]2C1	REAL300005309239	1	46	0.0	-87.47	339.73	3.81	-83.66
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300005309240	0	53	0.0	-64.56	398.47	7.36	-57.20
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300005309240	1	53	0.0	-69.62	399.05	6.95	-62.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC(Cl)=C3)C[C@H]2C1	REAL300005309241	0	41	0.0	-71.88	343.21	9.01	-62.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC(Cl)=C3)C[C@H]2C1	REAL300005309241	1	41	0.0	-68.94	341.78	9.00	-59.94
CCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OCC	REAL300005309242	0	55	0.0	-65.81	408.74	9.31	-56.50
CCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OCC	REAL300005309242	1	55	0.0	-74.69	410.59	9.04	-65.65
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005309243	0	49	0.0	-67.78	367.79	7.17	-60.61
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005309243	1	49	0.0	-74.90	366.87	7.21	-67.69
CC1CCC2=C(C1)C1=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C1N2	REAL300005309244	0	58	0.0	-61.54	422.12	11.33	-50.21
CC1CCC2=C(C1)C1=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C1N2	REAL300005309244	1	58	0.0	-69.55	422.99	10.87	-58.68
CCCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005309245	0	53	0.0	-62.93	395.39	10.92	-52.01
CCCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005309245	1	53	0.0	-70.64	395.41	10.85	-59.79
CC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309246	0	45	0.0	-62.65	349.13	8.58	-54.07
CC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309246	1	45	0.0	-64.24	351.28	8.52	-55.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(OC(F)F)C=C3)C[C@H]2C1	REAL300005309247	0	49	0.0	-66.88	383.83	9.17	-57.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(OC(F)F)C=C3)C[C@H]2C1	REAL300005309247	1	49	0.0	-66.75	385.98	9.10	-57.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC(N)=O)C=C3)C[C@H]2C1	REAL300005309248	0	47	0.0	-57.72	358.97	4.07	-53.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC(N)=O)C=C3)C[C@H]2C1	REAL300005309248	1	47	0.0	-76.82	352.73	3.80	-73.02
CC1=CC(C)=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005309249	0	54	0.0	-76.64	410.07	11.16	-65.48
CC1=CC(C)=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005309249	1	54	0.0	-72.72	409.11	11.17	-61.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)CC3=CC=CC=C3)C[C@H]2C1	REAL300005309250	0	51	0.0	-62.75	394.74	7.56	-55.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)CC3=CC=CC=C3)C[C@H]2C1	REAL300005309250	1	51	0.0	-65.44	396.83	7.49	-57.95
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309251	0	46	0.0	-68.51	356.45	9.30	-59.21
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309251	1	46	0.0	-63.70	358.59	9.24	-54.46
CC(=O)NCCCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309252	0	53	0.0	-77.87	402.09	6.76	-71.11
CC(=O)NCCCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309252	1	53	0.0	-74.38	402.28	6.80	-67.58
CC1=CC=C(CN2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=O)C=C1	REAL300005309253	0	58	0.0	-73.21	440.09	10.52	-62.69
CC1=CC=C(CN2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=O)C=C1	REAL300005309253	1	58	0.0	-72.04	437.77	10.60	-61.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4CCCO4)C=C3)C[C@H]2C1	REAL300005309254	0	56	0.0	-73.59	417.68	8.70	-64.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4CCCO4)C=C3)C[C@H]2C1	REAL300005309254	1	56	0.0	-64.49	417.80	8.61	-55.88
CC1=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C(C)C	REAL300005309255	0	57	0.0	-64.81	425.20	11.48	-53.33
CC1=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C(C)C	REAL300005309255	1	57	0.0	-68.53	424.36	11.41	-57.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NS(C)(=O)=O)=C3)C[C@H]2C1	REAL300005309256	0	49	0.0	-82.42	382.00	4.68	-77.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NS(C)(=O)=O)=C3)C[C@H]2C1	REAL300005309256	1	49	0.0	-78.68	381.76	4.76	-73.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005309257	0	48	0.0	-60.00	362.71	10.40	-49.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005309257	1	48	0.0	-68.98	360.97	10.00	-58.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(Cl)C=C4)CC3)C[C@H]2C1	REAL300005309258	0	48	0.0	-58.89	378.16	10.84	-48.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(Cl)C=C4)CC3)C[C@H]2C1	REAL300005309258	1	48	0.0	-70.91	379.22	10.41	-60.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005309259	0	44	0.0	-67.20	344.87	9.16	-58.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005309259	1	44	0.0	-69.01	340.60	9.24	-59.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCC3)C[C@H]2C1	REAL300005309260	0	50	0.0	-61.76	358.31	9.38	-52.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCC3)C[C@H]2C1	REAL300005309260	1	50	0.0	-66.77	357.86	9.28	-57.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005309261	0	50	0.0	-68.95	383.01	8.23	-60.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005309261	1	50	0.0	-71.73	382.38	8.19	-63.54
COC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005309262	0	51	0.0	-62.70	403.97	10.12	-52.58
COC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005309262	1	51	0.0	-68.50	403.91	9.77	-58.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005309263	0	47	0.0	-61.74	390.35	11.24	-50.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005309263	1	47	0.0	-66.85	390.30	10.89	-55.96
CC1=NOC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309264	0	45	0.0	-72.02	349.77	5.47	-66.55
CC1=NOC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309264	1	45	0.0	-69.00	349.96	5.52	-63.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@H]2C1	REAL300005309265	0	56	0.0	-74.53	417.82	7.25	-67.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@H]2C1	REAL300005309265	1	56	0.0	-71.49	418.00	7.29	-64.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309266	0	51	0.0	-77.18	394.57	9.53	-67.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309266	1	51	0.0	-72.62	394.76	9.58	-63.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=C4C=CC=CN4C3=O)C[C@H]2C1	REAL300005309267	0	47	0.0	-75.03	369.49	8.78	-66.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=C4C=CC=CN4C3=O)C[C@H]2C1	REAL300005309267	1	47	0.0	-73.61	371.51	8.70	-64.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OCC4CCCO4)=C3)C[C@H]2C1	REAL300005309268	0	56	0.0	-71.88	416.85	8.57	-63.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OCC4CCCO4)=C3)C[C@H]2C1	REAL300005309268	1	56	0.0	-82.89	416.73	8.63	-74.26
CC(NC(=O)C(C)(C)C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309269	0	53	0.0	-55.77	391.78	6.75	-49.02
CC(NC(=O)C(C)(C)C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309269	1	53	0.0	-67.82	394.42	6.39	-61.43
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=NNC(=O)C=C1	REAL300005309270	0	50	0.0	-66.95	383.77	6.35	-60.60
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=NNC(=O)C=C1	REAL300005309270	1	50	0.0	-69.96	383.97	6.23	-63.73
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1F	REAL300005309271	0	51	0.0	-59.55	392.85	9.75	-49.80
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1F	REAL300005309271	1	51	0.0	-74.68	390.63	9.75	-64.93
CC1=CC=CC=C1OCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309272	0	54	0.0	-77.05	408.24	10.22	-66.83
CC1=CC=CC=C1OCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309272	1	54	0.0	-72.88	408.42	10.27	-62.61
CC1=NOC(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=N1	REAL300005309273	0	49	0.0	-50.76	379.18	7.47	-43.29
CC1=NOC(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=N1	REAL300005309273	1	49	0.0	-74.12	380.97	7.35	-66.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(Cl)=C4)CCC3)C[C@H]2C1	REAL300005309274	0	51	0.0	-55.30	387.46	11.12	-44.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(Cl)=C4)CCC3)C[C@H]2C1	REAL300005309274	1	51	0.0	-64.30	384.71	10.58	-53.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4)CCC3)C[C@H]2C1	REAL300005309275	0	51	0.0	-78.94	377.85	10.30	-68.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4)CCC3)C[C@H]2C1	REAL300005309275	1	51	0.0	-61.12	374.61	10.33	-50.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(F)=C4)CCC3)C[C@H]2C1	REAL300005309276	0	51	0.0	-55.56	377.14	10.67	-44.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(F)=C4)CCC3)C[C@H]2C1	REAL300005309276	1	51	0.0	-64.63	374.39	10.13	-54.50
CC1=CC=CC(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2)=C1	REAL300005309277	0	54	0.0	-60.99	391.85	11.25	-49.74
CC1=CC=CC(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2)=C1	REAL300005309277	1	54	0.0	-66.45	389.40	10.73	-55.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(F)=CC=C4N3)C[C@H]2C1	REAL300005309278	0	45	0.0	-76.85	347.90	8.51	-68.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(F)=CC=C4N3)C[C@H]2C1	REAL300005309278	1	45	0.0	-72.39	347.49	8.53	-63.86
CCCC1=NNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309279	0	47	0.0	-57.15	353.76	7.32	-49.83
CCCC1=NNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309279	1	47	0.0	-69.31	354.14	6.99	-62.32
CCCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005309279	1	47	0.0	-58.87	357.75	7.10	-51.77
CCCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005309279	1	47	0.0	-68.57	354.63	6.88	-61.69
CSC1=CC=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309280	0	48	0.0	-71.31	368.68	9.64	-61.67
CSC1=CC=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309280	1	48	0.0	-69.48	368.06	9.68	-59.80
CC(C)C(=O)N1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309281	0	57	0.0	-69.49	409.74	8.44	-61.05
CC(C)C(=O)N1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309281	1	57	0.0	-78.99	404.10	8.25	-70.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=C(Cl)C=C4)N=C3)C[C@H]2C1	REAL300005309282	0	48	0.0	-56.10	386.56	9.69	-46.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=C(Cl)C=C4)N=C3)C[C@H]2C1	REAL300005309282	1	48	0.0	-60.60	385.30	9.59	-51.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=C([N+](=O)[O-])C=C4)N=C3)C[C@H]2C1	REAL300005309283	0	50	0.0	-69.25	395.14	9.85	-59.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=C([N+](=O)[O-])C=C4)N=C3)C[C@H]2C1	REAL300005309283	1	50	0.0	-69.43	396.63	9.72	-59.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(Cl)C=C4N3)C[C@H]2C1	REAL300005309284	0	45	0.0	-73.10	358.23	8.95	-64.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(Cl)C=C4N3)C[C@H]2C1	REAL300005309284	1	45	0.0	-69.52	357.80	8.96	-60.56
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005309285	0	54	0.0	-67.54	405.00	10.28	-57.26
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005309285	1	54	0.0	-62.43	405.35	10.22	-52.21
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=C(C)C=C1	REAL300005309286	0	57	0.0	-61.15	425.79	10.96	-50.19
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=C(C)C=C1	REAL300005309286	1	57	0.0	-67.50	426.33	10.83	-56.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(C(C)(C)C)C=C4N3)C[C@H]2C1	REAL300005309287	0	57	0.0	-58.86	416.59	11.11	-47.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(C(C)(C)C)C=C4N3)C[C@H]2C1	REAL300005309287	1	57	0.0	-71.27	417.06	10.78	-60.49
COC1=CC=C(COCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309288	0	52	0.0	-80.58	401.93	8.82	-71.76
COC1=CC=C(COCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309288	1	52	0.0	-74.27	402.97	8.77	-65.50
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C1=CC=C(F)C=C1	REAL300005309289	0	50	0.0	-56.17	388.25	8.79	-47.38
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C1=CC=C(F)C=C1	REAL300005309289	1	50	0.0	-66.64	387.03	8.61	-58.03
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309290	0	56	0.0	-66.74	419.76	12.25	-54.49
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309290	1	56	0.0	-74.77	417.84	12.07	-62.70
CC(C)NC(=O)NC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309291	0	56	0.0	-77.01	421.87	7.14	-69.87
CC(C)NC(=O)NC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309291	1	56	0.0	-89.04	421.50	7.22	-81.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4CCNC4=O)=C3)C[C@H]2C1	REAL300005309292	0	51	0.0	-71.42	380.90	6.69	-64.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4CCNC4=O)=C3)C[C@H]2C1	REAL300005309292	1	51	0.0	-94.71	380.87	6.75	-87.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(C)(C)C)=NN3)C[C@H]2C1	REAL300005309293	0	50	0.0	-57.18	371.12	7.69	-49.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(C)(C)C)=NN3)C[C@H]2C1	REAL300005309293	1	50	0.0	-69.40	371.47	7.34	-62.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=C3CCCC4)C[C@H]2C1	REAL300005309294	0	48	0.0	-73.38	352.98	7.44	-65.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=C3CCCC4)C[C@H]2C1	REAL300005309294	1	48	0.0	-69.94	351.04	7.19	-62.75
CC1=CC=C(N2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)C=C1	REAL300005309295	0	50	0.0	-67.84	387.23	8.95	-58.89
CC1=CC=C(N2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)C=C1	REAL300005309295	1	50	0.0	-65.86	388.98	8.81	-57.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309296	0	50	0.0	-75.24	396.42	11.18	-64.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309296	1	50	0.0	-71.26	396.61	11.23	-60.03
COCC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309297	0	48	0.0	-69.07	358.29	7.87	-61.20
COCC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309297	1	48	0.0	-66.02	357.86	7.72	-58.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005309298	0	46	0.0	-68.29	363.06	7.95	-60.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005309298	1	46	0.0	-68.85	361.92	7.77	-61.08
CCC1=NNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309299	0	44	0.0	-57.32	332.26	6.55	-50.77
CCC1=NNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309299	1	44	0.0	-65.74	333.27	6.10	-59.64
CCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005309299	1	44	0.0	-59.01	336.26	6.32	-52.69
CCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005309299	1	44	0.0	-68.84	333.14	6.10	-62.74
CC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309300	0	44	0.0	-65.92	329.93	8.62	-57.30
CC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309300	1	44	0.0	-74.27	329.83	8.68	-65.59
CSC1=CC=C(OC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309301	0	52	0.0	-67.32	399.06	10.75	-56.57
CSC1=CC=C(OC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309301	1	52	0.0	-70.92	396.61	10.21	-60.71
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309302	0	55	0.0	-89.95	419.02	9.29	-80.66
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309302	1	55	0.0	-54.12	420.54	9.23	-44.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(N4CCNC4=O)=CC=C3F)C[C@H]2C1	REAL300005309303	0	51	0.0	-92.70	387.21	6.77	-85.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(N4CCNC4=O)=CC=C3F)C[C@H]2C1	REAL300005309303	1	51	0.0	-66.62	389.89	6.77	-59.85
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CSC=C1	REAL300005309304	0	44	0.0	-64.33	343.38	8.88	-55.45
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CSC=C1	REAL300005309304	1	44	0.0	-65.75	336.89	8.44	-57.31
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CS1	REAL300005309305	0	44	0.0	-63.07	346.44	9.04	-54.03
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CS1	REAL300005309305	1	44	0.0	-70.89	343.58	8.52	-62.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=C(F)C=C4)N=C3)C[C@H]2C1	REAL300005309306	0	47	0.0	-70.28	374.00	8.27	-62.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=C(F)C=C4)N=C3)C[C@H]2C1	REAL300005309306	1	47	0.0	-64.82	375.77	8.12	-56.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC(F)=C3)C[C@H]2C1	REAL300005309307	0	50	0.0	-69.17	364.51	9.91	-59.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC(F)=C3)C[C@H]2C1	REAL300005309307	1	50	0.0	-63.17	361.73	10.01	-53.16
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005309308	0	53	0.0	-60.95	412.08	11.32	-49.63
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005309308	1	53	0.0	-71.30	408.22	11.16	-60.14
CCC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C)C=C1	REAL300005309309	0	56	0.0	-59.03	415.32	11.66	-47.37
CCC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C)C=C1	REAL300005309309	1	56	0.0	-67.97	413.47	11.49	-56.48
CC(CC1=CC=CC=C1F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309310	0	50	0.0	-61.10	380.03	10.30	-50.80
CC(CC1=CC=CC=C1F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309310	1	50	0.0	-62.66	376.53	10.05	-52.61
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1C(F)(F)F	REAL300005309311	0	53	0.0	-60.45	406.18	11.14	-49.31
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1C(F)(F)F	REAL300005309311	1	53	0.0	-67.51	406.85	11.11	-56.40
CC(C)C(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309312	0	56	0.0	-57.48	396.52	10.93	-46.55
CC(C)C(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309312	1	56	0.0	-62.47	398.56	10.82	-51.65
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309313	0	53	0.0	-64.24	406.60	11.05	-53.19
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309313	1	53	0.0	-64.59	408.76	11.00	-53.59
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309314	0	53	0.0	-65.65	406.60	11.05	-54.60
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309314	1	53	0.0	-70.61	409.49	11.02	-59.59
CC(C)C1=CC=C(C(C)CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309315	0	59	0.0	-64.65	430.76	12.27	-52.38
CC(C)C1=CC=C(C(C)CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309315	1	59	0.0	-65.57	432.94	12.20	-53.37
CC1=CSC(C2=CC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=N1	REAL300005309316	0	50	0.0	-68.18	394.77	9.43	-58.75
CC1=CSC(C2=CC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=N1	REAL300005309316	1	50	0.0	-77.31	394.67	9.49	-67.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309317	0	50	0.0	-66.98	374.83	10.35	-56.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309317	1	50	0.0	-62.63	372.07	10.46	-52.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC(Cl)=CS3)C[C@H]2C1	REAL300005309318	0	44	0.0	-70.84	365.30	9.48	-61.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC(Cl)=CS3)C[C@H]2C1	REAL300005309318	1	44	0.0	-67.64	365.49	9.53	-58.11
CC1=CC=CC(C(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309319	0	50	0.0	-71.40	375.03	10.17	-61.23
CC1=CC=CC(C(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309319	1	50	0.0	-66.16	367.25	10.08	-56.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC3CCCCC3)C[C@H]2C1	REAL300005309320	0	58	0.0	-72.71	418.86	11.70	-61.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC3CCCCC3)C[C@H]2C1	REAL300005309320	1	58	0.0	-65.56	420.35	11.62	-53.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CS4)CCCCC3)C[C@H]2C1	REAL300005309321	0	54	0.0	-57.35	389.81	10.45	-46.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CS4)CCCCC3)C[C@H]2C1	REAL300005309321	1	54	0.0	-60.38	385.19	10.46	-49.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=COC=C4)=N3)C[C@H]2C1	REAL300005309322	0	47	0.0	-70.53	385.40	8.04	-62.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=COC=C4)=N3)C[C@H]2C1	REAL300005309322	1	47	0.0	-73.72	384.58	7.98	-65.74
CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(C)C)=N1	REAL300005309323	0	53	0.0	-68.54	396.34	8.55	-59.99
CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(C)C)=N1	REAL300005309323	1	53	0.0	-71.77	393.44	8.41	-63.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCCC4)NC3=O)C[C@H]2C1	REAL300005309324	0	54	0.0	-66.45	394.34	7.93	-58.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCCC4)NC3=O)C[C@H]2C1	REAL300005309324	1	54	0.0	-93.22	398.91	8.08	-85.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C(=O)CCC4=CC=CC=C43)C[C@H]2C1	REAL300005309325	0	55	0.0	-74.24	412.98	10.22	-64.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C(=O)CCC4=CC=CC=C43)C[C@H]2C1	REAL300005309325	1	55	0.0	-70.91	413.16	10.26	-60.65
CCC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309326	0	50	0.0	-73.86	379.69	10.51	-63.35
CCC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309326	1	50	0.0	-70.52	379.87	10.56	-59.96
CC1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309327	0	43	0.0	-61.62	327.09	4.45	-57.17
CC1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309327	1	43	0.0	-58.38	327.05	4.45	-53.93
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309328	0	55	0.0	-73.97	419.74	9.03	-64.94
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309328	1	55	0.0	-77.19	417.98	8.87	-68.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=NC(C4CC4)=NO3)C[C@H]2C1	REAL300005309329	0	52	0.0	-80.50	402.66	7.76	-72.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=NC(C4CC4)=NO3)C[C@H]2C1	REAL300005309329	1	52	0.0	-75.77	402.85	7.81	-67.96
CCCCSCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309330	0	50	0.0	-59.51	386.22	10.19	-49.32
CCCCSCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309330	1	50	0.0	-67.08	386.17	9.84	-57.24
CC1=NOC(C)=C1CC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309331	0	52	0.0	-65.88	382.12	8.75	-57.13
CC1=NOC(C)=C1CC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309331	1	52	0.0	-64.22	383.61	8.65	-55.57
CN1C=C(C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C2)C=N1	REAL300005309332	0	51	0.0	-65.00	387.24	9.21	-55.79
CN1C=C(C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C2)C=N1	REAL300005309332	1	51	0.0	-82.53	388.51	9.31	-73.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=COC=C4)=NO3)C[C@H]2C1	REAL300005309333	0	49	0.0	-64.38	391.28	6.87	-57.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=COC=C4)=NO3)C[C@H]2C1	REAL300005309333	1	49	0.0	-70.90	391.23	6.52	-64.38
CC(C)=CCSC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309334	0	55	0.0	-68.95	421.77	11.89	-57.06
CC(C)=CCSC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309334	1	55	0.0	-65.67	422.69	11.80	-53.87
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309335	0	53	0.0	-69.50	411.88	3.81	-65.69
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309335	1	53	0.0	-82.09	411.64	3.82	-78.27
CC(C)=CCOC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309336	0	55	0.0	-83.67	412.02	10.19	-73.48
CC(C)=CCOC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309336	1	55	0.0	-78.87	410.98	10.26	-68.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005309337	0	60	0.0	-73.57	433.89	12.79	-60.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005309337	1	60	0.0	-69.89	434.07	12.84	-57.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC4=CC=CC=C43)C[C@H]2C1	REAL300005309338	0	54	0.0	-62.24	393.16	11.36	-50.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC4=CC=CC=C43)C[C@H]2C1	REAL300005309338	1	54	0.0	-68.19	391.59	11.36	-56.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4=CC=CC=C4C3)C[C@H]2C1	REAL300005309339	0	54	0.0	-75.71	394.86	11.47	-64.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4=CC=CC=C4C3)C[C@H]2C1	REAL300005309339	1	54	0.0	-67.79	395.95	11.43	-56.36
CC(C)COC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309340	0	57	0.0	-74.72	429.76	10.79	-63.93
CC(C)COC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309340	1	57	0.0	-69.27	431.27	10.76	-58.51
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=C1OC(F)F	REAL300005309341	0	51	0.0	-81.89	385.47	8.99	-72.90
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=C1OC(F)F	REAL300005309341	1	51	0.0	-75.22	386.69	9.05	-66.17
CSC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005309342	0	42	0.0	-65.68	336.76	7.92	-57.76
CSC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005309342	1	42	0.0	-69.32	336.80	7.98	-61.34
COC1=CC=CC=C1CC(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309343	0	57	0.0	-74.91	417.77	10.64	-64.27
COC1=CC=CC=C1CC(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309343	1	57	0.0	-66.59	417.80	10.59	-56.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=CC4=CC=CC=C43)C[C@H]2C1	REAL300005309344	0	47	0.0	-82.11	365.30	8.63	-73.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=CC4=CC=CC=C43)C[C@H]2C1	REAL300005309344	1	47	0.0	-74.20	366.48	8.58	-65.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005309345	0	48	0.0	-59.66	388.21	11.23	-48.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005309345	1	48	0.0	-68.48	386.85	11.34	-57.14
COC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309346	0	51	0.0	-47.65	382.37	8.83	-38.82
COC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309346	1	51	0.0	-66.53	380.94	8.62	-57.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CN4N=C3)C[C@H]2C1	REAL300005309347	0	44	0.0	-65.37	334.34	7.76	-57.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CN4N=C3)C[C@H]2C1	REAL300005309347	1	44	0.0	-72.92	331.21	7.56	-65.36
CCC1=C2NC=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300005309348	0	54	0.0	-74.77	411.33	10.54	-64.23
CCC1=C2NC=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300005309348	1	54	0.0	-69.04	412.91	10.48	-58.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCN3C(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005309349	0	58	0.0	-74.89	401.32	9.04	-65.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCN3C(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005309349	1	58	0.0	-88.25	416.30	10.67	-77.58
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1S(N)(=O)=O	REAL300005309350	0	49	0.0	-71.42	377.38	3.63	-67.79
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1S(N)(=O)=O	REAL300005309350	1	49	0.0	-76.31	377.63	3.68	-72.63
COC1=CC=CC(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCC2)=C1	REAL300005309351	0	58	0.0	-55.78	413.35	10.03	-45.75
COC1=CC=CC(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCC2)=C1	REAL300005309351	1	58	0.0	-61.52	411.41	9.94	-51.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC3CCCC3)C[C@H]2C1	REAL300005309352	0	55	0.0	-72.91	402.10	11.12	-61.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC3CCCC3)C[C@H]2C1	REAL300005309352	1	55	0.0	-65.90	403.51	11.06	-54.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OC4CCCC4)=C3)C[C@H]2C1	REAL300005309353	0	55	0.0	-62.26	400.08	10.09	-52.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OC4CCCC4)=C3)C[C@H]2C1	REAL300005309353	1	55	0.0	-78.07	401.64	10.21	-67.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=COC=C4)=N3)C[C@H]2C1	REAL300005309354	0	44	0.0	-73.08	358.82	7.65	-65.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=COC=C4)=N3)C[C@H]2C1	REAL300005309354	1	44	0.0	-67.21	360.42	7.50	-59.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCC3=CC=CS3)C[C@H]2C1	REAL300005309355	0	53	0.0	-75.10	412.92	11.31	-63.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCC3=CC=CS3)C[C@H]2C1	REAL300005309355	1	53	0.0	-71.21	413.11	11.36	-59.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C(=O)CCC4=CC=CC=C43)C[C@H]2C1	REAL300005309356	0	52	0.0	-72.11	393.64	9.76	-62.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C(=O)CCC4=CC=CC=C43)C[C@H]2C1	REAL300005309356	1	52	0.0	-68.85	393.37	9.62	-59.23
CC1CCC(N2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=O)CC1	REAL300005309357	0	61	0.0	-70.76	425.15	9.73	-61.03
CC1CCC(N2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=O)CC1	REAL300005309357	1	61	0.0	-69.28	422.83	9.82	-59.46
CSC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309358	0	42	0.0	-71.81	336.34	7.61	-64.20
CSC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309358	1	42	0.0	-57.69	336.43	7.58	-50.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CCCC3=CC=CC=C3)C[C@H]2C1	REAL300005309359	0	59	0.0	-73.56	424.08	11.84	-61.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CCCC3=CC=CC=C3)C[C@H]2C1	REAL300005309359	1	59	0.0	-69.79	422.95	11.72	-58.07
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300005309360	0	47	0.0	-55.22	358.45	9.86	-45.36
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300005309360	1	47	0.0	-70.28	354.31	9.38	-60.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005309361	0	51	0.0	-78.00	386.96	11.49	-66.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005309361	1	51	0.0	-69.98	389.88	11.50	-58.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3CCCCC3)C[C@H]2C1	REAL300005309362	0	56	0.0	-72.78	400.47	10.82	-61.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3CCCCC3)C[C@H]2C1	REAL300005309362	1	56	0.0	-69.09	400.66	10.87	-58.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CCC3=CC=CC=C3)C[C@H]2C1	REAL300005309363	0	57	0.0	-76.18	425.83	13.14	-63.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CCC3=CC=CC=C3)C[C@H]2C1	REAL300005309363	1	57	0.0	-64.73	431.15	13.07	-51.66
CC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005309364	0	46	0.0	-95.83	358.27	9.97	-85.86
CC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005309364	1	46	0.0	-69.60	360.00	9.77	-59.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(F)F)C=C3)C[C@H]2C1	REAL300005309365	0	45	0.0	-67.00	348.49	7.58	-59.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(F)F)C=C3)C[C@H]2C1	REAL300005309365	1	45	0.0	-69.75	342.98	7.29	-62.46
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=NO1	REAL300005309366	0	50	0.0	-63.10	390.01	10.35	-52.75
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=NO1	REAL300005309366	1	50	0.0	-63.95	392.45	10.12	-53.83
CC1=CC(Cl)=CC=C1OC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309367	0	51	0.0	-66.54	395.67	10.95	-55.59
CC1=CC(Cl)=CC=C1OC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309367	1	51	0.0	-68.44	392.98	10.39	-58.05
COC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309368	0	45	0.0	-56.79	353.62	8.92	-47.87
COC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309368	1	45	0.0	-66.80	357.10	8.58	-58.22
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C([N+](=O)[O-])C=C1OC	REAL300005309369	0	51	0.0	-79.05	395.45	8.87	-70.18
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C([N+](=O)[O-])C=C1OC	REAL300005309369	1	51	0.0	-87.71	396.82	8.94	-78.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCC4)S3)C[C@H]2C1	REAL300005309370	0	48	0.0	-64.04	361.50	9.50	-54.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCC4)S3)C[C@H]2C1	REAL300005309370	1	48	0.0	-67.91	359.79	9.55	-58.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCC4)S3)C[C@H]2C1	REAL300005309371	0	45	0.0	-75.62	345.30	8.95	-66.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCC4)S3)C[C@H]2C1	REAL300005309371	1	45	0.0	-70.54	344.88	8.97	-61.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(COC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005309372	0	55	0.0	-70.12	420.60	11.27	-58.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(COC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005309372	1	55	0.0	-69.79	415.11	11.00	-58.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)C=CS3)C[C@H]2C1	REAL300005309373	0	45	0.0	-60.77	344.93	9.18	-51.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)C=CS3)C[C@H]2C1	REAL300005309373	1	45	0.0	-67.00	345.35	9.07	-57.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)C=CS3)C[C@H]2C1	REAL300005309374	0	48	0.0	-64.53	373.11	10.55	-53.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)C=CS3)C[C@H]2C1	REAL300005309374	1	48	0.0	-68.29	373.74	10.59	-57.70
COC1=CC=C2OC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005309375	0	51	0.0	-71.77	387.17	8.79	-62.98
COC1=CC=C2OC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005309375	1	51	0.0	-66.80	388.93	8.68	-58.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C[C@H]2C1	REAL300005309376	0	49	0.0	-94.32	387.14	5.71	-88.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C[C@H]2C1	REAL300005309376	1	49	0.0	-80.85	388.91	5.67	-75.18
CC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309377	0	48	0.0	-65.61	366.07	10.25	-55.36
CC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309377	1	48	0.0	-64.82	368.22	10.18	-54.64
CC1=C(S(N)(=O)=O)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309378	0	46	0.0	-69.64	371.00	2.13	-67.51
CC1=C(S(N)(=O)=O)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309378	1	46	0.0	-77.06	366.14	1.98	-75.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=CC(F)=C3F)C[C@H]2C1	REAL300005309379	0	48	0.0	-65.12	368.32	10.75	-54.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=CC(F)=C3F)C[C@H]2C1	REAL300005309379	1	48	0.0	-69.60	376.70	10.41	-59.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC(F)=C4O3)C[C@H]2C1	REAL300005309380	0	44	0.0	-68.53	346.23	8.89	-59.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC(F)=C4O3)C[C@H]2C1	REAL300005309380	1	44	0.0	-67.55	344.49	8.67	-58.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309381	0	45	0.0	-63.50	373.87	10.09	-53.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309381	1	45	0.0	-65.84	372.97	10.02	-55.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005309382	0	50	0.0	-70.37	402.17	10.04	-60.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005309382	1	50	0.0	-74.36	401.48	9.98	-64.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(COC4=CC=CC=C4)C=CO3)C[C@H]2C1	REAL300005309383	0	52	0.0	-60.66	402.72	9.76	-50.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(COC4=CC=CC=C4)C=CO3)C[C@H]2C1	REAL300005309383	1	52	0.0	-68.80	399.61	9.56	-59.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC(=O)C4CC4)S3)C[C@H]2C1	REAL300005309384	0	49	0.0	-55.16	388.20	7.58	-47.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC(=O)C4CC4)S3)C[C@H]2C1	REAL300005309384	1	49	0.0	-69.76	386.93	7.60	-62.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C(Cl)N3)C[C@H]2C1	REAL300005309385	0	39	0.0	-59.16	328.53	7.22	-51.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C(Cl)N3)C[C@H]2C1	REAL300005309385	1	39	0.0	-64.20	328.95	7.10	-57.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=NC=N3)C[C@H]2C1	REAL300005309386	0	43	0.0	-60.44	334.18	8.87	-51.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=NC=N3)C[C@H]2C1	REAL300005309386	1	43	0.0	-67.21	334.13	8.53	-58.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=C(Cl)C=C4)=NN3)C[C@H]2C1	REAL300005309387	0	48	0.0	-58.29	385.16	9.31	-48.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=C(Cl)C=C4)=NN3)C[C@H]2C1	REAL300005309387	1	48	0.0	-69.54	385.60	8.97	-60.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=C(Cl)C=C4)=C3)C[C@H]2C1	REAL300005309387	1	48	0.0	-59.74	387.87	9.05	-50.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=C(Cl)C=C4)=C3)C[C@H]2C1	REAL300005309387	1	48	0.0	-67.24	388.29	8.91	-58.33
CC1=CC=C(C2=NNC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1	REAL300005309388	0	51	0.0	-58.23	389.84	9.47	-48.76
CC1=CC=C(C2=NNC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1	REAL300005309388	1	51	0.0	-70.61	390.29	9.13	-61.48
CC1=CC=C(C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=NN2)C=C1	REAL300005309388	1	51	0.0	-59.18	392.55	9.21	-49.97
CC1=CC=C(C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=NN2)C=C1	REAL300005309388	1	51	0.0	-67.59	392.96	9.07	-58.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CC=N4)C=C3)C[C@H]2C1	REAL300005309389	0	51	0.0	-75.65	393.11	9.65	-66.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CC=N4)C=C3)C[C@H]2C1	REAL300005309389	1	51	0.0	-58.06	389.77	9.56	-48.50
CN1C(=O)CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005309390	0	52	0.0	-74.84	383.63	8.75	-66.09
CN1C(=O)CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005309390	1	52	0.0	-80.02	390.30	8.86	-71.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CC=C4S3)C[C@H]2C1	REAL300005309391	0	46	0.0	-75.83	358.52	9.85	-65.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CC=C4S3)C[C@H]2C1	REAL300005309391	1	46	0.0	-64.66	360.43	9.78	-54.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CC4=CC=CC=C4NC3=O)C[C@H]2C1	REAL300005309392	0	55	0.0	-63.42	415.44	8.79	-54.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CC4=CC=CC=C4NC3=O)C[C@H]2C1	REAL300005309392	1	55	0.0	-72.93	414.09	8.87	-64.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC4=CC=CC=C34)C[C@H]2C1	REAL300005309393	0	51	0.0	-68.35	387.97	11.74	-56.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC4=CC=CC=C34)C[C@H]2C1	REAL300005309393	1	51	0.0	-66.97	390.12	11.67	-55.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)NC4=CC(F)=CC=C43)C[C@H]2C1	REAL300005309394	0	49	0.0	-62.85	377.60	7.26	-55.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(=O)NC4=CC(F)=CC=C43)C[C@H]2C1	REAL300005309394	1	49	0.0	-67.10	374.42	7.16	-59.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005309395	0	57	0.0	-75.72	432.62	11.91	-63.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005309395	1	57	0.0	-65.93	432.40	11.82	-54.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)NCC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309396	0	53	0.0	-63.32	417.11	6.33	-56.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)NCC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309396	1	53	0.0	-65.47	419.19	6.25	-59.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1	REAL300005309397	0	52	0.0	-77.92	390.14	4.80	-73.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1	REAL300005309397	1	52	0.0	-81.21	388.82	4.72	-76.49
CN(C1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O	REAL300005309398	0	52	0.0	-67.93	405.45	6.60	-61.33
CN(C1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O	REAL300005309398	1	52	0.0	-70.23	405.61	6.49	-63.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(SC(F)F)C=C3)C[C@H]2C1	REAL300005309399	0	45	0.0	-65.89	358.98	9.25	-56.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(SC(F)F)C=C3)C[C@H]2C1	REAL300005309399	1	45	0.0	-68.71	353.47	8.96	-59.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C[C@H]2C1	REAL300005309400	0	51	0.0	-63.15	397.49	9.31	-53.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C[C@H]2C1	REAL300005309400	1	51	0.0	-69.79	394.92	8.94	-60.85
CC1=NN2C(=C1)N=CC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)=C2C	REAL300005309401	0	49	0.0	-72.60	381.12	8.23	-64.37
CC1=NN2C(=C1)N=CC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)=C2C	REAL300005309401	1	49	0.0	-63.77	375.04	8.47	-55.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NS(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005309402	0	49	0.0	-81.76	386.23	4.60	-77.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NS(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005309402	1	49	0.0	-79.38	380.59	4.29	-75.09
COC1=CC=C(F)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309403	0	45	0.0	-57.28	343.30	8.48	-48.80
COC1=CC=C(F)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309403	1	45	0.0	-67.71	346.77	8.15	-59.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005309404	0	51	0.0	-72.71	396.70	10.32	-62.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005309404	1	51	0.0	-73.18	393.05	10.40	-62.78
CC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CC=C2)O1	REAL300005309405	0	53	0.0	-71.03	412.14	8.24	-62.79
CC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CC=C2)O1	REAL300005309405	1	53	0.0	-76.92	415.07	8.19	-68.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4=CC=CC=C4)N=N3)C[C@H]2C1	REAL300005309406	0	50	0.0	-55.71	392.39	8.71	-47.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4=CC=CC=C4)N=N3)C[C@H]2C1	REAL300005309406	1	50	0.0	-66.76	392.82	8.61	-58.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)NC3CCCCC3)C[C@H]2C1	REAL300005309407	0	62	0.0	-75.70	457.68	7.41	-68.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)NC3CCCCC3)C[C@H]2C1	REAL300005309407	1	62	0.0	-72.68	457.87	7.45	-65.23
C=CCOC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309408	0	49	0.0	-69.99	374.57	9.66	-60.33
C=CCOC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309408	1	49	0.0	-67.45	374.94	9.57	-57.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(OC(F)F)C=C3)C[C@H]2C1	REAL300005309409	0	51	0.0	-63.59	397.69	9.86	-53.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(OC(F)F)C=C3)C[C@H]2C1	REAL300005309409	1	51	0.0	-70.31	397.64	9.51	-60.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC5=C(CCCC5)C4=CC=C3)C[C@H]2C1	REAL300005309410	0	55	0.0	-59.80	406.70	10.52	-49.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC5=C(CCCC5)C4=CC=C3)C[C@H]2C1	REAL300005309410	1	55	0.0	-64.68	406.69	10.44	-54.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=CC=C([N+](=O)[O-])C=C43)C[C@H]2C1	REAL300005309411	0	46	0.0	-80.03	365.65	7.93	-72.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=CC=C([N+](=O)[O-])C=C43)C[C@H]2C1	REAL300005309411	1	46	0.0	-72.98	367.44	7.76	-65.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=C([N+](=O)[O-])C=CC4=NN3)C[C@H]2C1	REAL300005309411	1	46	0.0	-66.81	362.45	7.77	-59.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=C([N+](=O)[O-])C=CC4=NN3)C[C@H]2C1	REAL300005309411	1	46	0.0	-75.02	362.48	7.78	-67.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CC=C4)S3)C[C@H]2C1	REAL300005309412	0	47	0.0	-66.31	374.18	8.85	-57.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CC=C4)S3)C[C@H]2C1	REAL300005309412	1	47	0.0	-68.54	374.44	8.91	-59.63
CC(=O)NCC(=O)NCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309413	0	48	0.0	-66.39	373.40	2.26	-64.13
CC(=O)NCC(=O)NCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309413	1	48	0.0	-70.11	371.98	2.10	-68.01
CC1=C(C)C2=CC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2N1	REAL300005309415	0	51	0.0	-68.99	382.90	9.33	-59.66
CC1=C(C)C2=CC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2N1	REAL300005309415	1	51	0.0	-67.40	381.13	9.07	-58.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(S(N)(=O)=O)S3)C[C@H]2C1	REAL300005309416	0	46	0.0	-76.20	385.54	3.25	-72.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(S(N)(=O)=O)S3)C[C@H]2C1	REAL300005309416	1	46	0.0	-76.33	380.70	3.26	-73.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC(C(F)(F)F)C3)C[C@H]2C1	REAL300005309417	0	50	0.0	-66.50	375.59	9.80	-56.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC(C(F)(F)F)C3)C[C@H]2C1	REAL300005309417	1	50	0.0	-65.55	363.32	9.20	-56.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCCCC3)C[C@H]2C1	REAL300005309418	0	51	0.0	-65.79	373.79	9.44	-56.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCCCC3)C[C@H]2C1	REAL300005309418	1	51	0.0	-69.77	374.55	9.04	-60.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCCOC3=CC=CC=C3)C[C@H]2C1	REAL300005309419	0	52	0.0	-67.80	402.98	9.25	-58.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCCOC3=CC=CC=C3)C[C@H]2C1	REAL300005309419	1	52	0.0	-74.69	403.38	9.22	-65.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCOCC3CCCO3)C[C@H]2C1	REAL300005309420	0	52	0.0	-73.34	389.39	6.58	-66.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCOCC3CCCO3)C[C@H]2C1	REAL300005309420	1	52	0.0	-70.67	389.57	6.63	-64.04
COC1=CC=CC(COCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309421	0	52	0.0	-80.55	401.93	8.82	-71.73
COC1=CC=CC(COCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309421	1	52	0.0	-74.13	402.97	8.77	-65.36
COC1=CC=CC(COC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309422	0	55	0.0	-69.87	416.21	9.64	-60.23
COC1=CC=CC(COC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309422	1	55	0.0	-69.56	413.10	9.38	-60.18
CCOC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309423	0	54	0.0	-73.05	409.56	10.10	-62.95
CCOC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309423	1	54	0.0	-70.01	409.74	10.15	-59.86
CC(CC1CCCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309424	0	56	0.0	-62.63	395.47	10.79	-51.84
CC(CC1CCCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309424	1	56	0.0	-69.23	388.94	10.16	-59.07
CCC(CC1CCCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309425	0	59	0.0	-65.13	413.34	11.09	-54.04
CCC(CC1CCCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309425	1	59	0.0	-66.15	409.98	11.00	-55.15
CCCC(CC1CCCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309426	0	62	0.0	-60.61	436.66	11.87	-48.74
CCCC(CC1CCCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309426	1	62	0.0	-65.28	428.42	11.45	-53.83
CC(CC1CCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309427	0	53	0.0	-72.07	374.97	9.81	-62.26
CC(CC1CCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309427	1	53	0.0	-69.57	372.39	9.64	-59.93
CCC(CC1CCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309428	0	56	0.0	-65.67	389.85	10.30	-55.37
CCC(CC1CCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309428	1	56	0.0	-64.17	379.27	9.95	-54.22
CCCC(CC1CCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309429	0	59	0.0	-62.12	413.37	10.94	-51.18
CCCC(CC1CCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309429	1	59	0.0	-64.90	414.71	11.14	-53.76
CC1=NN(C)C=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309430	0	50	0.0	-75.22	381.15	8.19	-67.03
CC1=NN(C)C=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309430	1	50	0.0	-70.92	382.47	8.13	-62.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(F)=C4)CC3)C[C@H]2C1	REAL300005309431	0	48	0.0	-69.12	370.19	10.10	-59.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(F)=C4)CC3)C[C@H]2C1	REAL300005309431	1	48	0.0	-62.85	366.67	10.20	-52.65
CC1=CC=CC=C1C(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309432	0	53	0.0	-72.20	390.20	10.87	-61.33
CC1=CC=CC=C1C(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309432	1	53	0.0	-66.44	391.45	10.84	-55.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC(C4=CC=C(F)C=C4)=N3)C[C@H]2C1	REAL300005309433	0	50	0.0	-84.17	400.20	7.76	-76.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC(C4=CC=C(F)C=C4)=N3)C[C@H]2C1	REAL300005309433	1	50	0.0	-75.72	400.03	7.70	-68.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCOCC3)C[C@H]2C1	REAL300005309434	0	51	0.0	-65.06	370.35	8.05	-57.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCOCC3)C[C@H]2C1	REAL300005309434	1	51	0.0	-70.16	370.30	7.71	-62.45
COC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C)=C1	REAL300005309435	0	45	0.0	-70.07	347.67	7.98	-62.09
COC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C)=C1	REAL300005309435	1	45	0.0	-76.93	349.10	8.11	-68.82
CC(C)C1=NOC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309436	0	46	0.0	-56.26	349.34	7.53	-48.73
CC(C)C1=NOC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309436	1	46	0.0	-64.59	348.21	7.38	-57.21
CC1=CC(OC(F)F)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309437	0	45	0.0	-69.88	357.44	8.22	-61.66
CC1=CC(OC(F)F)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309437	1	45	0.0	-75.98	358.87	8.36	-67.62
CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005309438	0	44	0.0	-64.83	332.52	6.65	-58.18
CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005309438	1	44	0.0	-71.18	333.28	6.63	-64.55
CC1=C2NC=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300005309439	0	51	0.0	-69.35	388.78	9.75	-59.60
CC1=C2NC=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300005309439	1	51	0.0	-69.26	391.24	9.72	-59.54
CC(C)CCCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309440	0	55	0.0	-62.71	402.08	10.88	-51.83
CC(C)CCCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309440	1	55	0.0	-69.05	402.03	10.52	-58.53
CCCCCC(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309441	0	55	0.0	-64.84	396.63	10.46	-54.38
CCCCCC(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309441	1	55	0.0	-64.53	398.79	10.39	-54.14
CC1=NC=C(Cl)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309442	0	42	0.0	-57.41	336.28	7.34	-50.07
CC1=NC=C(Cl)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309442	1	42	0.0	-65.64	333.07	7.14	-58.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3SCCC4=CC=CC=C43)C[C@H]2C1	REAL300005309443	0	49	0.0	-60.98	373.74	10.34	-50.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3SCCC4=CC=CC=C43)C[C@H]2C1	REAL300005309443	1	49	0.0	-64.66	374.52	10.25	-54.41
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C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(F)=C4)CCCCC3)C[C@H]2C1	REAL300005309462	1	57	0.0	-74.93	402.89	11.14	-63.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=C(F)C=C4)C=CS3)C[C@H]2C1	REAL300005309463	0	48	0.0	-78.15	379.06	10.56	-67.59
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CC1CCCCC1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309468	0	54	0.0	-68.43	392.04	9.79	-58.64
CC1CCCCC1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309468	1	54	0.0	-67.56	392.07	9.82	-57.74
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COC1=CC=C2SC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005309473	1	51	0.0	-67.13	390.63	9.28	-57.85
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COC1=CC=C(Cl)C=C1NCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309474	1	53	0.0	-70.76	417.12	7.98	-62.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C4=CC=C(F)C=C4)C3=O)C[C@H]2C1	REAL300005309475	0	52	0.0	-57.82	389.38	9.33	-48.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C4=CC=C(F)C=C4)C3=O)C[C@H]2C1	REAL300005309475	1	52	0.0	-60.04	396.54	9.39	-50.65
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3)C[C@H]2C1	REAL300005309477	0	48	0.0	-58.10	377.79	9.77	-48.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3)C[C@H]2C1	REAL300005309477	1	48	0.0	-69.27	378.21	9.66	-59.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC4=CC=C(Cl)C=C43)C[C@H]2C1	REAL300005309478	0	48	0.0	-75.01	386.39	11.01	-64.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC4=CC=C(Cl)C=C43)C[C@H]2C1	REAL300005309478	1	48	0.0	-66.18	384.12	11.12	-55.06
CC(C)OC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309479	0	51	0.0	-56.90	394.10	10.47	-46.43
CC(C)OC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309479	1	51	0.0	-66.93	396.85	10.13	-56.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4)CCCCC3)C[C@H]2C1	REAL300005309480	0	57	0.0	-61.37	402.09	11.18	-50.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4)CCCCC3)C[C@H]2C1	REAL300005309480	1	57	0.0	-64.45	402.99	11.14	-53.31
COC1=CC=C(N2C=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=N2)C=C1	REAL300005309481	0	52	0.0	-73.63	399.49	9.05	-64.58
COC1=CC=C(N2C=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=N2)C=C1	REAL300005309481	1	52	0.0	-70.39	397.75	8.80	-61.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3CC3)C3CC3)C[C@H]2C1	REAL300005309482	0	51	0.0	-62.84	377.26	10.44	-52.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3CC3)C3CC3)C[C@H]2C1	REAL300005309482	1	51	0.0	-63.72	372.65	10.49	-53.23
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CCC(C)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005309486	1	56	0.0	-66.25	398.75	10.96	-55.29
CC1=CC=C2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1C	REAL300005309487	0	53	0.0	-69.36	405.14	10.70	-58.66
CC1=CC=C2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1C	REAL300005309487	1	53	0.0	-69.47	400.29	10.71	-58.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCCCC4)S3)C[C@H]2C1	REAL300005309488	0	54	0.0	-52.93	390.47	10.49	-42.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCCCC4)S3)C[C@H]2C1	REAL300005309488	1	54	0.0	-59.48	389.29	10.53	-48.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(S3)C3=CC=CC=C3CC4)C[C@H]2C1	REAL300005309489	0	52	0.0	-66.12	401.28	11.72	-54.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(S3)C3=CC=CC=C3CC4)C[C@H]2C1	REAL300005309489	1	52	0.0	-61.18	401.90	11.80	-49.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(S3)C3=CC=CC=C3OC4)C[C@H]2C1	REAL300005309490	0	50	0.0	-69.41	390.80	9.84	-59.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(S3)C3=CC=CC=C3OC4)C[C@H]2C1	REAL300005309490	1	50	0.0	-71.13	392.22	9.87	-61.26
CCCC1=C(CC)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309491	0	53	0.0	-60.41	402.89	10.62	-49.79
CCCC1=C(CC)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309491	1	53	0.0	-58.76	403.01	10.62	-48.14
CC1=C(C)C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C2N1	REAL300005309492	0	51	0.0	-62.10	379.11	9.46	-52.64
CC1=C(C)C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C2N1	REAL300005309492	1	51	0.0	-75.40	381.79	9.24	-66.16
CCOC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005309493	0	56	0.0	-70.24	425.14	9.72	-60.52
CCOC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005309493	1	56	0.0	-68.50	427.30	9.65	-58.85
CC1=NOC(C)=C1CSCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309494	0	50	0.0	-80.21	399.51	9.26	-70.95
CC1=NOC(C)=C1CSCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309494	1	50	0.0	-73.55	400.54	9.21	-64.34
CSCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005309495	0	51	0.0	-56.52	403.68	10.72	-45.80
CSCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005309495	1	51	0.0	-65.71	404.10	10.61	-55.10
CC1=CC=CC(CSCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309496	0	51	0.0	-77.22	403.78	11.16	-66.06
CC1=CC=CC(CSCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309496	1	51	0.0	-71.21	404.82	11.11	-60.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(=O)C4=CC=CC=C43)C[C@H]2C1	REAL300005309497	0	46	0.0	-59.86	351.33	6.38	-53.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(=O)C4=CC=CC=C43)C[C@H]2C1	REAL300005309497	1	46	0.0	-65.14	353.44	6.30	-58.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3[N+](=O)[O-])C[C@H]2C1	REAL300005309498	0	43	0.0	-94.89	336.29	9.61	-85.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3[N+](=O)[O-])C[C@H]2C1	REAL300005309498	1	43	0.0	-88.39	336.01	9.47	-78.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(F)C=CC=C4S3)C[C@H]2C1	REAL300005309499	0	44	0.0	-52.42	351.28	9.53	-42.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(F)C=CC=C4S3)C[C@H]2C1	REAL300005309499	1	44	0.0	-72.68	352.26	9.40	-63.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=C(Cl)C=CC=C3Cl)C[C@H]2C1	REAL300005309500	0	45	0.0	-73.51	376.18	10.46	-63.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=C(Cl)C=CC=C3Cl)C[C@H]2C1	REAL300005309500	1	45	0.0	-67.51	378.10	10.39	-57.12
CC(C)SC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309501	0	51	0.0	-68.56	387.47	10.43	-58.13
CC(C)SC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309501	1	51	0.0	-67.83	383.24	10.21	-57.62
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C(C)C	REAL300005309502	0	54	0.0	-57.39	385.24	9.78	-47.61
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C(C)C	REAL300005309502	1	54	0.0	-72.93	383.86	9.78	-63.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CO3)C[C@H]2C1	REAL300005309503	0	44	0.0	-61.11	339.18	8.39	-52.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CO3)C[C@H]2C1	REAL300005309503	1	44	0.0	-68.32	339.13	8.04	-60.28
CC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005309504	0	48	0.0	-63.16	380.09	10.68	-52.48
CC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005309504	1	48	0.0	-63.70	382.24	10.61	-53.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(C4=CC=CC=C4)O3)C[C@H]2C1	REAL300005309505	0	54	0.0	-71.87	418.45	11.75	-60.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(C4=CC=CC=C4)O3)C[C@H]2C1	REAL300005309505	1	54	0.0	-68.76	418.64	11.79	-56.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Br)=CC=C3F)C[C@H]2C1	REAL300005309506	0	41	0.0	-76.29	337.15	8.68	-67.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Br)=CC=C3F)C[C@H]2C1	REAL300005309506	1	41	0.0	-73.91	336.80	8.74	-65.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3SC(F)F)C[C@H]2C1	REAL300005309507	0	45	0.0	-68.33	358.48	9.29	-59.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3SC(F)F)C[C@H]2C1	REAL300005309507	1	45	0.0	-64.51	358.84	9.17	-55.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005309508	0	47	0.0	-57.63	368.93	8.17	-49.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005309508	1	47	0.0	-66.42	369.36	8.05	-58.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309509	0	51	0.0	-62.44	371.39	9.37	-53.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309509	1	51	0.0	-68.77	367.61	9.50	-59.27
COC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309510	0	45	0.0	-83.16	338.11	7.25	-75.91
COC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309510	1	45	0.0	-78.48	337.90	7.33	-71.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(C4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005309511	0	54	0.0	-75.72	411.01	12.49	-63.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(C4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005309511	1	54	0.0	-72.31	411.20	12.53	-59.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCOC4=C3)C[C@H]2C1	REAL300005309512	0	44	0.0	-60.82	333.07	6.59	-54.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCOC4=C3)C[C@H]2C1	REAL300005309512	1	44	0.0	-66.78	333.35	6.48	-60.30
COC1=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300005309513	0	56	0.0	-72.15	430.36	8.20	-63.95
COC1=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300005309513	1	56	0.0	-73.02	429.71	8.14	-64.88
CCCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309514	0	57	0.0	-69.83	425.09	10.60	-59.23
CCCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309514	1	57	0.0	-69.52	419.58	10.31	-59.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C([N+](=O)[O-])C=C3Cl)C[C@H]2C1	REAL300005309515	0	43	0.0	-60.41	353.10	9.54	-50.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C([N+](=O)[O-])C=C3Cl)C[C@H]2C1	REAL300005309515	1	43	0.0	-76.02	352.25	9.20	-66.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005309516	0	44	0.0	-76.76	367.19	9.99	-66.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005309516	1	44	0.0	-63.25	367.67	10.00	-53.25
CC1=CC=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309517	0	47	0.0	-61.27	351.62	9.35	-51.92
CC1=CC=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309517	1	47	0.0	-73.03	349.30	9.33	-63.70
CC1=CC(C)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309518	0	47	0.0	-56.04	353.10	9.29	-46.75
CC1=CC(C)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309518	1	47	0.0	-69.69	346.55	9.06	-60.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005309519	0	51	0.0	-70.05	383.43	11.40	-58.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005309519	1	51	0.0	-60.93	381.75	11.24	-49.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=CC=C3)C3=CC=CC=C3)C[C@H]2C1	REAL300005309520	0	54	0.0	-53.77	393.70	11.93	-41.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=CC=C3)C3=CC=CC=C3)C[C@H]2C1	REAL300005309520	1	54	0.0	-63.23	403.50	11.95	-51.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309521	0	44	0.0	-73.64	353.52	9.59	-64.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309521	1	44	0.0	-68.37	355.04	9.55	-58.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCC3)C[C@H]2C1	REAL300005309522	0	50	0.0	-72.88	362.48	9.47	-63.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCC3)C[C@H]2C1	REAL300005309522	1	50	0.0	-68.99	362.67	9.51	-59.48
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1OC	REAL300005309523	0	53	0.0	-75.20	403.72	8.12	-67.08
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1OC	REAL300005309523	1	53	0.0	-67.16	406.64	7.95	-59.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309524	0	44	0.0	-74.41	343.20	9.14	-65.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309524	1	44	0.0	-68.99	344.72	9.10	-59.89
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005309525	0	46	0.0	-65.94	351.33	9.10	-56.84
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005309525	1	46	0.0	-72.46	353.98	9.24	-63.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC3=CC=CC=C3)C[C@H]2C1	REAL300005309526	0	52	0.0	-64.00	398.79	11.94	-52.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC3=CC=CC=C3)C[C@H]2C1	REAL300005309526	1	52	0.0	-66.97	397.55	11.71	-55.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309527	0	51	0.0	-61.89	381.70	9.82	-52.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309527	1	51	0.0	-68.32	377.93	9.96	-58.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005309528	0	44	0.0	-66.46	369.15	10.01	-56.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005309528	1	44	0.0	-69.34	368.42	9.95	-59.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005309529	0	48	0.0	-69.63	383.38	10.58	-59.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005309529	1	48	0.0	-66.90	385.53	10.51	-56.39
CC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005309530	0	47	0.0	-64.02	346.42	9.23	-54.79
CC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005309530	1	47	0.0	-71.67	347.50	9.14	-62.53
COC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005309531	0	52	0.0	-79.74	394.02	8.21	-71.53
COC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005309531	1	52	0.0	-67.54	394.50	8.21	-59.33
CSC1=CC=C(Cl)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309532	0	45	0.0	-54.63	362.86	9.65	-44.98
CSC1=CC=C(Cl)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309532	1	45	0.0	-72.21	364.36	9.58	-62.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C(Cl)C=CC=C3Cl)C[C@H]2C1	REAL300005309533	0	44	0.0	-71.68	364.89	9.92	-61.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C(Cl)C=CC=C3Cl)C[C@H]2C1	REAL300005309533	1	44	0.0	-63.97	362.32	10.05	-53.92
CCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309534	0	47	0.0	-68.43	352.22	9.43	-59.00
CCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309534	1	47	0.0	-69.27	346.72	9.16	-60.11
CCCCC(CC)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309535	0	52	0.0	-61.79	378.25	9.46	-52.33
CCCCC(CC)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309535	1	52	0.0	-66.27	377.32	9.38	-56.89
COCCOCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309536	0	45	0.0	-65.73	346.77	5.71	-60.02
COCCOCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309536	1	45	0.0	-73.04	347.18	5.68	-67.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309537	0	45	0.0	-67.93	361.40	10.10	-57.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309537	1	45	0.0	-65.77	363.55	10.02	-55.75
COC1=CC=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309538	0	49	0.0	-68.73	374.15	8.88	-59.85
COC1=CC=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309538	1	49	0.0	-67.02	376.30	8.80	-58.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3[N+](=O)[O-])C[C@H]2C1	REAL300005309539	0	47	0.0	-80.90	370.38	10.14	-70.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3[N+](=O)[O-])C[C@H]2C1	REAL300005309539	1	47	0.0	-73.95	372.51	10.06	-63.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005309540	0	51	0.0	-77.93	402.55	11.86	-66.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005309540	1	51	0.0	-71.38	403.59	11.80	-59.58
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005309541	0	47	0.0	-54.05	351.05	9.32	-44.73
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005309541	1	47	0.0	-70.07	351.82	9.25	-60.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3F)C[C@H]2C1	REAL300005309542	0	44	0.0	-65.20	341.24	9.14	-56.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3F)C[C@H]2C1	REAL300005309542	1	44	0.0	-67.53	341.10	9.02	-58.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4F)CCCC3)C[C@H]2C1	REAL300005309543	0	54	0.0	-70.93	384.29	10.60	-60.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4F)CCCC3)C[C@H]2C1	REAL300005309543	1	54	0.0	-61.80	378.91	11.08	-50.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(F)=C4)CCCC3)C[C@H]2C1	REAL300005309544	0	54	0.0	-58.12	390.53	11.47	-46.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(F)=C4)CCCC3)C[C@H]2C1	REAL300005309544	1	54	0.0	-60.46	388.32	10.71	-49.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(F)(F)F)C=C3)C[C@H]2C1	REAL300005309545	0	45	0.0	-65.48	355.23	7.80	-57.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(F)(F)F)C=C3)C[C@H]2C1	REAL300005309545	1	45	0.0	-66.54	349.72	7.50	-59.04
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1	REAL300005309546	0	55	0.0	-67.25	410.66	11.92	-55.33
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1	REAL300005309546	1	55	0.0	-65.26	414.34	12.15	-53.11
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=C(F)C=C1	REAL300005309547	0	55	0.0	-62.35	418.81	12.01	-50.34
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=C(F)C=C1	REAL300005309547	1	55	0.0	-68.66	416.81	11.86	-56.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005309548	0	51	0.0	-81.89	392.88	11.31	-70.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005309548	1	51	0.0	-74.59	393.92	11.25	-63.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSC3=CC=CC=C3)C[C@H]2C1	REAL300005309549	0	48	0.0	-61.78	377.23	10.73	-51.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSC3=CC=CC=C3)C[C@H]2C1	REAL300005309549	1	48	0.0	-68.77	377.18	10.38	-58.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C(=O)C3=CC=CS3)C[C@H]2C1	REAL300005309550	0	52	0.0	-94.64	400.57	8.42	-86.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C(=O)C3=CC=CS3)C[C@H]2C1	REAL300005309550	1	52	0.0	-72.50	397.38	9.68	-62.82
CCC1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309551	0	51	0.0	-64.35	389.25	10.47	-53.88
CCC1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309551	1	51	0.0	-68.16	388.33	10.40	-57.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C([N+](=O)[O-])S3)C[C@H]2C1	REAL300005309552	0	40	0.0	-73.46	327.95	7.72	-65.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C([N+](=O)[O-])S3)C[C@H]2C1	REAL300005309552	1	40	0.0	-66.78	328.88	7.77	-59.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC=CC=C4O3)C[C@H]2C1	REAL300005309553	0	47	0.0	-67.24	356.38	8.38	-58.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC=CC=C4O3)C[C@H]2C1	REAL300005309553	1	47	0.0	-65.84	355.89	8.25	-57.59
CC1=CC(C)=NC2=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=NN21	REAL300005309554	0	48	0.0	-77.94	372.55	10.15	-67.79
CC1=CC(C)=NC2=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=NN21	REAL300005309554	1	48	0.0	-75.43	374.01	9.98	-65.45
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1S(N)(=O)=O	REAL300005309555	0	49	0.0	-75.39	375.64	3.93	-71.46
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1S(N)(=O)=O	REAL300005309555	1	49	0.0	-86.24	377.89	3.70	-82.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005309556	0	52	0.0	-68.13	404.20	10.82	-57.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005309556	1	52	0.0	-68.25	406.35	10.76	-57.49
CCC1=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005309557	0	54	0.0	-61.71	420.65	11.65	-50.06
CCC1=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005309557	1	54	0.0	-66.60	420.27	11.59	-55.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(SC(F)(F)F)C=C3)C[C@H]2C1	REAL300005309558	0	45	0.0	-64.24	365.56	9.45	-54.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(SC(F)(F)F)C=C3)C[C@H]2C1	REAL300005309558	1	45	0.0	-66.17	360.05	9.16	-57.01
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C	REAL300005309559	0	48	0.0	-66.03	358.70	8.00	-58.03
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C	REAL300005309559	1	48	0.0	-75.57	357.79	8.03	-67.54
COC1=CC(OC)=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309560	0	55	0.0	-74.01	417.18	8.49	-65.52
COC1=CC(OC)=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309560	1	55	0.0	-71.06	417.39	8.53	-62.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC=C3F)C[C@H]2C1	REAL300005309561	0	41	0.0	-76.56	332.58	8.58	-67.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC=C3F)C[C@H]2C1	REAL300005309561	1	41	0.0	-74.20	332.25	8.64	-65.56
CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309562	0	62	0.0	-72.86	455.21	10.59	-62.27
CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309562	1	62	0.0	-69.50	460.90	11.07	-58.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC=C(Cl)C=C4C3)C[C@H]2C1	REAL300005309563	0	49	0.0	-72.92	379.78	9.14	-63.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC=C(Cl)C=C4C3)C[C@H]2C1	REAL300005309563	1	49	0.0	-66.61	384.75	9.19	-57.42
CC1=NC(C2=CNC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=CS1	REAL300005309564	0	48	0.0	-70.43	381.37	8.08	-62.35
CC1=NC(C2=CNC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=CS1	REAL300005309564	1	48	0.0	-81.50	381.71	7.75	-73.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCC3)C[C@H]2C1	REAL300005309565	0	51	0.0	-73.51	371.73	10.27	-63.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCC3)C[C@H]2C1	REAL300005309565	1	51	0.0	-65.97	371.25	10.14	-55.83
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CC=C2)O1	REAL300005309566	0	50	0.0	-58.59	386.13	8.33	-50.26
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CC=C2)O1	REAL300005309566	1	50	0.0	-67.11	384.92	8.08	-59.03
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)O2)C=C1	REAL300005309567	0	53	0.0	-73.73	413.55	10.57	-63.16
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)O2)C=C1	REAL300005309567	1	53	0.0	-70.98	410.88	10.36	-60.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4SCCS4)C=C3)C[C@H]2C1	REAL300005309568	0	50	0.0	-64.12	393.08	11.22	-52.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4SCCS4)C=C3)C[C@H]2C1	REAL300005309568	1	50	0.0	-68.62	394.22	10.81	-57.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC(C)(C)C)C[C@H]2C1	REAL300005309569	0	47	0.0	-62.29	357.88	8.54	-53.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC(C)(C)C)C[C@H]2C1	REAL300005309569	1	47	0.0	-69.11	354.03	8.39	-60.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005309570	0	47	0.0	-75.32	369.98	5.53	-69.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005309570	1	47	0.0	-78.74	364.49	5.26	-73.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CS(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005309571	0	50	0.0	-79.71	394.36	6.20	-73.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CS(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005309571	1	50	0.0	-77.90	388.86	5.93	-71.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309572	0	48	0.0	-64.83	399.79	10.99	-53.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309572	1	48	0.0	-70.62	400.14	10.95	-59.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309573	0	48	0.0	-77.30	399.10	11.01	-66.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309573	1	48	0.0	-71.21	400.14	10.96	-60.25
CCOC1=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OC	REAL300005309574	0	56	0.0	-70.18	425.15	9.72	-60.46
CCOC1=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OC	REAL300005309574	1	56	0.0	-68.55	427.30	9.65	-58.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC4CC4)C([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005309575	0	52	0.0	-64.22	398.22	9.28	-54.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC4CC4)C([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005309575	1	52	0.0	-84.05	397.08	9.33	-74.72
CC1CCC2=C(C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)C1	REAL300005309576	0	51	0.0	-64.07	382.30	10.10	-53.97
CC1CCC2=C(C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)C1	REAL300005309576	1	51	0.0	-67.81	380.60	10.14	-57.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CC=N4)O3)C[C@H]2C1	REAL300005309577	0	48	0.0	-65.99	376.60	8.23	-57.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CC=N4)O3)C[C@H]2C1	REAL300005309577	1	48	0.0	-69.77	375.43	8.06	-61.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CCCCC3)C[C@H]2C1	REAL300005309578	0	48	0.0	-65.73	351.51	9.28	-56.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CCCCC3)C[C@H]2C1	REAL300005309578	1	48	0.0	-61.81	352.52	9.27	-52.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C4=NC=CC=N4)C3)C[C@H]2C1	REAL300005309579	0	54	0.0	-56.21	398.25	9.17	-47.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C4=NC=CC=N4)C3)C[C@H]2C1	REAL300005309579	1	54	0.0	-65.90	399.89	9.06	-56.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3CC3)C[C@H]2C1	REAL300005309580	0	45	0.0	-61.32	345.26	5.35	-55.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3CC3)C[C@H]2C1	REAL300005309580	1	45	0.0	-63.86	347.35	5.28	-58.58
CC(C)CC(=O)NC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005309581	0	59	0.0	-69.76	418.10	7.86	-61.90
CC(C)CC(=O)NC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005309581	1	59	0.0	-65.94	421.01	7.49	-58.45
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=NC=CS1	REAL300005309582	0	51	0.0	-68.17	395.81	9.89	-58.28
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=NC=CS1	REAL300005309582	1	51	0.0	-68.62	388.72	10.28	-58.34
CC(C)C1=CC=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309583	0	54	0.0	-65.12	407.75	10.92	-54.20
CC(C)C1=CC=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309583	1	54	0.0	-68.74	406.93	10.86	-57.88
CC(C)C1=CC(OC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1	REAL300005309584	0	57	0.0	-67.62	419.51	11.65	-55.97
CC(C)C1=CC(OC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1	REAL300005309584	1	57	0.0	-70.83	419.56	11.19	-59.64
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309585	0	60	0.0	-66.83	438.90	12.37	-54.46
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309585	1	60	0.0	-73.57	435.93	11.85	-61.72
CC1=CC(OC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C(C)C	REAL300005309586	0	60	0.0	-67.34	436.45	12.19	-55.15
CC1=CC(OC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C(C)C	REAL300005309586	1	60	0.0	-69.86	433.16	11.61	-58.25
CC(OC1=CC=CC(F)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309587	0	48	0.0	-70.79	365.70	9.81	-60.98
CC(OC1=CC=CC(F)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309587	1	48	0.0	-69.77	365.77	9.34	-60.43
CC(NC(=O)C1CCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309588	0	54	0.0	-52.25	398.82	7.16	-45.09
CC(NC(=O)C1CCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309588	1	54	0.0	-68.88	394.49	6.89	-61.99
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309589	0	50	0.0	-65.35	403.76	11.16	-54.19
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309589	1	50	0.0	-68.81	397.01	10.41	-58.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CNC(N)=O)C=C3)C[C@H]2C1	REAL300005309590	0	50	0.0	-74.56	384.45	4.21	-70.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CNC(N)=O)C=C3)C[C@H]2C1	REAL300005309590	1	50	0.0	-75.48	378.95	3.94	-71.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CS3)C[C@H]2C1	REAL300005309591	0	44	0.0	-60.05	348.71	9.36	-50.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CS3)C[C@H]2C1	REAL300005309591	1	44	0.0	-67.55	348.61	9.01	-58.54
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=C1C(=O)CCC2	REAL300005309592	0	51	0.0	-71.76	376.80	8.53	-63.23
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=C1C(=O)CCC2	REAL300005309592	1	51	0.0	-76.77	377.24	8.42	-68.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCCCC4)C=C3)C[C@H]2C1	REAL300005309593	0	57	0.0	-68.26	411.12	11.79	-56.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCCCC4)C=C3)C[C@H]2C1	REAL300005309593	1	57	0.0	-57.92	410.33	11.73	-46.19
CSC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309594	0	45	0.0	-69.88	349.38	9.01	-60.87
CSC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309594	1	45	0.0	-69.75	343.87	8.72	-61.03
COC1=CC=C(C(C)=O)C=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309595	0	53	0.0	-81.70	407.70	8.92	-72.78
COC1=CC=C(C(C)=O)C=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309595	1	53	0.0	-73.97	403.42	8.92	-65.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4CCCCC4=C3)C[C@H]2C1	REAL300005309596	0	54	0.0	-63.47	401.16	11.58	-51.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4CCCCC4=C3)C[C@H]2C1	REAL300005309596	1	54	0.0	-66.15	396.89	11.67	-54.48
CC1=CC=C(SCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005309597	0	54	0.0	-72.57	416.09	11.56	-61.01
CC1=CC=C(SCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005309597	1	54	0.0	-69.12	415.58	11.59	-57.53
COCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309598	0	48	0.0	-69.18	364.40	7.72	-61.46
COCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309598	1	48	0.0	-69.15	358.90	7.45	-61.70
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309599	0	60	0.0	-67.18	435.04	12.06	-55.12
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309599	1	60	0.0	-70.94	432.60	11.52	-59.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3=CC=CC=C3)C[C@H]2C1	REAL300005309600	0	48	0.0	-66.43	373.10	9.51	-56.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3=CC=CC=C3)C[C@H]2C1	REAL300005309600	1	48	0.0	-69.84	372.27	9.45	-60.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(F)=CC=C4S3)C[C@H]2C1	REAL300005309601	0	44	0.0	-63.94	352.62	9.41	-54.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(F)=CC=C4S3)C[C@H]2C1	REAL300005309601	1	44	0.0	-58.94	348.95	9.65	-49.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(C4=CC=CC=C4F)O3)C[C@H]2C1	REAL300005309602	0	52	0.0	-64.95	414.39	11.60	-53.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(C4=CC=CC=C4F)O3)C[C@H]2C1	REAL300005309602	1	52	0.0	-66.77	416.53	11.54	-55.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4F)O3)C[C@H]2C1	REAL300005309603	0	48	0.0	-63.53	379.50	10.22	-53.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4F)O3)C[C@H]2C1	REAL300005309603	1	48	0.0	-70.11	381.85	10.13	-59.98
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309604	0	54	0.0	-77.32	408.81	11.81	-65.51
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309604	1	54	0.0	-74.32	409.36	11.82	-62.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4CC4)=N3)C[C@H]2C1	REAL300005309605	0	44	0.0	-70.66	347.48	8.05	-62.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4CC4)=N3)C[C@H]2C1	REAL300005309605	1	44	0.0	-67.53	345.49	7.81	-59.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CS(N)(=O)=O)=C3)C[C@H]2C1	REAL300005309606	0	49	0.0	-65.10	385.27	3.60	-61.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CS(N)(=O)=O)=C3)C[C@H]2C1	REAL300005309606	1	49	0.0	-81.54	385.86	3.48	-78.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4)N3)C[C@H]2C1	REAL300005309607	0	49	0.0	-67.40	371.38	9.83	-57.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4)N3)C[C@H]2C1	REAL300005309607	1	49	0.0	-68.91	369.53	9.67	-59.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=C4F)N=C3)C[C@H]2C1	REAL300005309608	0	48	0.0	-57.51	373.21	9.15	-48.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=C4F)N=C3)C[C@H]2C1	REAL300005309608	1	48	0.0	-63.20	371.95	9.05	-54.15
CC(C)C1=NC=C(Cl)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309609	0	48	0.0	-69.11	376.66	8.59	-60.52
CC(C)C1=NC=C(Cl)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309609	1	48	0.0	-66.03	377.12	8.57	-57.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(F)C(NS(C)(=O)=O)=C3)C[C@H]2C1	REAL300005309610	0	49	0.0	-76.91	386.06	4.69	-72.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(F)C(NS(C)(=O)=O)=C3)C[C@H]2C1	REAL300005309610	1	49	0.0	-85.07	387.14	4.77	-80.30
CC(=O)C1=CC=CC(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309611	0	56	0.0	-76.84	429.66	10.27	-66.57
CC(=O)C1=CC=CC(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309611	1	56	0.0	-81.19	429.62	9.92	-71.27
CC(=O)C1=CC=CC(OC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309612	0	53	0.0	-77.94	400.54	10.16	-67.78
CC(=O)C1=CC=CC(OC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309612	1	53	0.0	-79.35	402.12	9.76	-69.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC4=CC([N+](=O)[O-])=CC=C43)C[C@H]2C1	REAL300005309613	0	50	0.0	-74.86	399.76	11.18	-63.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC4=CC([N+](=O)[O-])=CC=C43)C[C@H]2C1	REAL300005309613	1	50	0.0	-74.00	396.91	11.09	-62.91
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309614	0	58	0.0	-65.60	437.30	12.91	-52.69
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309614	1	58	0.0	-78.50	436.95	12.97	-65.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC=CC=C43)C[C@H]2C1	REAL300005309615	0	46	0.0	-80.46	344.95	7.88	-72.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC=CC=C43)C[C@H]2C1	REAL300005309615	1	46	0.0	-72.35	346.85	7.92	-64.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=CC=CC=C34)C[C@H]2C1	REAL300005309616	0	44	0.0	-66.06	335.08	8.75	-57.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=CC=CC=C34)C[C@H]2C1	REAL300005309616	1	44	0.0	-77.11	335.69	8.41	-68.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4Cl)C=C3)C[C@H]2C1	REAL300005309617	0	48	0.0	-59.39	386.78	10.43	-48.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4Cl)C=C3)C[C@H]2C1	REAL300005309617	1	48	0.0	-66.01	377.89	10.09	-55.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=C4Cl)N=C3)C[C@H]2C1	REAL300005309618	0	48	0.0	-55.80	387.00	9.91	-45.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=C4Cl)N=C3)C[C@H]2C1	REAL300005309618	1	48	0.0	-64.02	385.57	9.82	-54.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=C4Cl)N=N3)C[C@H]2C1	REAL300005309619	0	47	0.0	-71.43	376.52	8.80	-62.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=C4Cl)N=N3)C[C@H]2C1	REAL300005309619	1	47	0.0	-67.73	379.71	8.68	-59.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005309620	0	54	0.0	-76.07	414.78	8.32	-67.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005309620	1	54	0.0	-72.93	414.96	8.35	-64.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C4OCCOC4=C3)C[C@H]2C1	REAL300005309621	0	47	0.0	-62.72	367.55	7.59	-55.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C4OCCOC4=C3)C[C@H]2C1	REAL300005309621	1	47	0.0	-73.19	368.66	7.67	-65.52
CCC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309622	0	53	0.0	-61.15	401.32	11.72	-49.43
CCC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309622	1	53	0.0	-68.75	401.27	11.37	-57.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4Cl)O3)C[C@H]2C1	REAL300005309623	0	48	0.0	-62.57	387.26	10.56	-52.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4Cl)O3)C[C@H]2C1	REAL300005309623	1	48	0.0	-68.97	389.59	10.48	-58.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]2C1	REAL300005309624	0	50	0.0	-60.73	373.17	5.82	-54.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]2C1	REAL300005309624	1	50	0.0	-63.36	375.26	5.74	-57.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C4OCOC4=C3)C[C@H]2C1	REAL300005309625	0	44	0.0	-54.73	353.19	7.16	-47.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C4OCOC4=C3)C[C@H]2C1	REAL300005309625	1	44	0.0	-71.28	351.17	7.21	-64.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C(=O)C3=CC=CS3)C[C@H]2C1	REAL300005309626	0	50	0.0	-75.51	404.56	10.60	-64.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C(=O)C3=CC=CS3)C[C@H]2C1	REAL300005309626	1	50	0.0	-78.05	403.35	10.41	-67.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=C(F)C=C4)S3)C[C@H]2C1	REAL300005309627	0	48	0.0	-54.72	385.52	10.72	-44.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=C(F)C=C4)S3)C[C@H]2C1	REAL300005309627	1	48	0.0	-69.91	383.47	10.72	-59.19
CCCCC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309628	0	56	0.0	-73.72	422.69	12.07	-61.65
CCCCC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309628	1	56	0.0	-70.36	422.88	12.12	-58.24
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(S(N)(=O)=O)=C1C	REAL300005309629	0	52	0.0	-76.07	393.64	4.17	-71.90
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(S(N)(=O)=O)=C1C	REAL300005309629	1	52	0.0	-71.31	394.08	4.20	-67.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C(=O)N3)C[C@H]2C1	REAL300005309630	0	47	0.0	-58.39	368.75	7.37	-51.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C(=O)N3)C[C@H]2C1	REAL300005309630	1	47	0.0	-77.15	365.48	7.16	-69.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(C)=O)C=C3)C[C@H]2C1	REAL300005309631	0	46	0.0	-87.42	361.53	6.59	-80.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(C)=O)C=C3)C[C@H]2C1	REAL300005309631	1	46	0.0	-83.91	356.03	6.32	-77.59
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300005309632	0	47	0.0	-69.92	364.12	9.58	-60.34
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300005309632	1	47	0.0	-64.82	365.88	9.45	-55.37
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=C(F)C=CC=C12	REAL300005309633	0	47	0.0	-68.46	364.01	9.58	-58.88
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=C(F)C=CC=C12	REAL300005309633	1	47	0.0	-66.24	365.81	9.45	-56.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)C[C@H]2C1	REAL300005309634	0	49	0.0	-88.29	380.78	8.77	-79.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)C[C@H]2C1	REAL300005309634	1	49	0.0	-62.56	382.44	8.75	-53.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C[C@H]2C1	REAL300005309635	0	49	0.0	-73.37	388.81	6.02	-67.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C[C@H]2C1	REAL300005309635	1	49	0.0	-90.36	388.74	5.68	-84.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CSC=C3)C[C@H]2C1	REAL300005309636	0	44	0.0	-61.01	348.41	9.20	-51.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CSC=C3)C[C@H]2C1	REAL300005309636	1	44	0.0	-66.53	349.50	8.75	-57.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC(Cl)=C4OCOC4=C3)C[C@H]2C1	REAL300005309637	0	48	0.0	-62.57	389.95	8.77	-53.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC(Cl)=C4OCOC4=C3)C[C@H]2C1	REAL300005309637	1	48	0.0	-66.46	389.59	8.69	-57.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC5CC(C4)CC3C5)C[C@H]2C1	REAL300005309638	0	55	0.0	-74.06	368.65	9.92	-64.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC5CC(C4)CC3C5)C[C@H]2C1	REAL300005309638	1	55	0.0	-65.86	370.70	10.15	-55.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC(=O)COC4=C3)C[C@H]2C1	REAL300005309639	0	47	0.0	-69.22	357.07	5.50	-63.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC(=O)COC4=C3)C[C@H]2C1	REAL300005309639	1	47	0.0	-67.31	357.98	5.05	-62.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C4CCCC4=C3)C[C@H]2C1	REAL300005309640	0	52	0.0	-63.25	402.69	11.48	-51.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C4CCCC4=C3)C[C@H]2C1	REAL300005309640	1	52	0.0	-66.90	401.86	11.42	-55.48
CC1=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005309641	0	44	0.0	-76.11	346.70	5.98	-70.13
CC1=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005309641	1	44	0.0	-67.30	346.55	5.91	-61.39
CC1=CC=C(SCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309642	0	51	0.0	-61.85	398.63	11.41	-50.44
CC1=CC=C(SCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309642	1	51	0.0	-68.81	398.59	11.06	-57.75
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005309643	0	44	0.0	-64.59	330.43	7.66	-56.93
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005309643	1	44	0.0	-71.03	330.31	7.68	-63.35
CCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309644	0	54	0.0	-69.91	403.59	9.82	-60.09
CCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309644	1	54	0.0	-69.52	398.08	9.53	-59.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005309645	0	48	0.0	-61.17	392.24	11.18	-49.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005309645	1	48	0.0	-68.31	392.19	10.83	-57.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005309646	0	48	0.0	-74.42	383.75	10.04	-64.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005309646	1	48	0.0	-74.23	386.96	9.98	-64.25
CC1=CC=C(C)C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309647	0	51	0.0	-78.72	388.35	10.41	-68.31
CC1=CC=C(C)C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309647	1	51	0.0	-72.01	389.39	10.36	-61.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005309648	0	55	0.0	-66.76	426.30	12.70	-54.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005309648	1	55	0.0	-74.22	426.65	12.67	-61.55
CC1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005309649	0	51	0.0	-65.20	385.94	10.23	-54.97
CC1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005309649	1	51	0.0	-68.94	385.11	10.16	-58.78
CC1=CC=C(C(C)C)C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309650	0	57	0.0	-78.62	426.89	11.67	-66.95
CC1=CC=C(C(C)C)C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309650	1	57	0.0	-68.23	426.74	11.59	-56.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309651	0	48	0.0	-61.93	393.95	11.25	-50.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309651	1	48	0.0	-67.70	393.90	10.90	-56.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3F)C[C@H]2C1	REAL300005309652	0	45	0.0	-70.37	353.65	9.07	-61.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3F)C[C@H]2C1	REAL300005309652	1	45	0.0	-73.18	352.84	9.01	-64.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(Br)C=C3)C[C@H]2C1	REAL300005309653	0	45	0.0	-65.74	368.84	9.64	-56.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(Br)C=C3)C[C@H]2C1	REAL300005309653	1	45	0.0	-67.99	367.93	9.56	-58.43
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309654	0	52	0.0	-72.61	405.61	5.95	-66.66
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309654	1	52	0.0	-74.91	399.39	5.72	-69.19
CCC1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309655	0	51	0.0	-78.92	389.76	10.47	-68.45
CCC1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309655	1	51	0.0	-68.30	389.52	10.38	-57.92
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1CC1	REAL300005309656	0	52	0.0	-60.79	380.46	10.42	-50.37
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1CC1	REAL300005309656	1	52	0.0	-73.04	382.71	10.15	-62.89
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=C1OCCO2	REAL300005309657	0	51	0.0	-62.85	380.76	6.92	-55.93
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=C1OCCO2	REAL300005309657	1	51	0.0	-73.75	381.88	7.01	-66.74
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1CC1=CC=CO1	REAL300005309658	0	55	0.0	-66.10	410.83	10.52	-55.58
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1CC1=CC=CO1	REAL300005309658	1	55	0.0	-70.69	414.83	10.55	-60.14
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1CC1=CC=CC=C1	REAL300005309659	0	58	0.0	-57.65	431.97	12.42	-45.23
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1CC1=CC=CC=C1	REAL300005309659	1	58	0.0	-74.70	427.44	12.31	-62.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC(=O)NC3=O)C[C@H]2C1	REAL300005309660	0	44	0.0	-68.52	347.39	4.90	-63.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC(=O)NC3=O)C[C@H]2C1	REAL300005309660	1	44	0.0	-85.26	346.70	4.86	-80.40
CC(NC(=O)C1=COC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309661	0	48	0.0	-55.47	374.52	5.54	-49.93
CC(NC(=O)C1=COC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309661	1	48	0.0	-65.34	374.85	5.40	-59.94
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309662	0	55	0.0	-71.74	418.16	10.67	-61.07
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309662	1	55	0.0	-73.23	412.05	10.73	-62.50
CC(=O)NC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C	REAL300005309663	0	51	0.0	-75.72	381.68	7.72	-68.00
CC(=O)NC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C	REAL300005309663	1	51	0.0	-82.30	381.11	7.56	-74.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNS(=O)(=O)C3=CC=CS3)C[C@H]2C1	REAL300005309664	0	46	0.0	-68.73	381.82	3.79	-64.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNS(=O)(=O)C3=CC=CS3)C[C@H]2C1	REAL300005309664	1	46	0.0	-69.12	380.68	3.61	-65.51
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O	REAL300005309665	0	45	0.0	-66.85	350.15	3.59	-63.26
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O	REAL300005309665	1	45	0.0	-74.51	354.85	3.51	-71.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)C3CC3)C[C@H]2C1	REAL300005309667	0	51	0.0	-75.08	389.90	6.79	-68.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)C3CC3)C[C@H]2C1	REAL300005309667	1	51	0.0	-71.98	390.08	6.84	-65.14
COC1=CC=C(SC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309668	0	52	0.0	-63.17	405.05	9.78	-53.39
COC1=CC=C(SC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309668	1	52	0.0	-71.26	398.29	9.04	-62.22
CC(SC1=CC=CC=C1Cl)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309669	0	48	0.0	-67.40	386.42	10.74	-56.66
CC(SC1=CC=CC=C1Cl)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309669	1	48	0.0	-72.96	380.68	10.16	-62.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(C4=CC=CC=C4)N3)C[C@H]2C1	REAL300005309670	0	55	0.0	-72.66	421.01	11.18	-61.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(C4=CC=CC=C4)N3)C[C@H]2C1	REAL300005309670	1	55	0.0	-68.16	422.33	11.13	-57.03
CC1=NC2=CC(F)=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2N=C1C	REAL300005309671	0	51	0.0	-62.08	391.79	7.88	-54.20
CC1=NC2=CC(F)=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2N=C1C	REAL300005309671	1	51	0.0	-66.87	392.07	7.80	-59.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C(Br)=C3)C[C@H]2C1	REAL300005309672	0	44	0.0	-77.47	362.28	9.67	-67.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C(Br)=C3)C[C@H]2C1	REAL300005309672	1	44	0.0	-63.84	362.76	9.69	-54.15
CCSCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309673	0	51	0.0	-69.11	396.92	10.76	-58.35
CCSCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309673	1	51	0.0	-68.62	391.42	10.49	-58.13
COC1=CC=CC2=C1OCC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)=C2	REAL300005309674	0	51	0.0	-67.46	381.74	8.30	-59.16
COC1=CC=CC2=C1OCC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)=C2	REAL300005309674	1	51	0.0	-63.65	393.28	8.52	-55.13
CC(C)NC(=O)NC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309675	0	56	0.0	-79.16	422.30	7.17	-71.99
CC(C)NC(=O)NC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309675	1	56	0.0	-76.18	416.77	6.91	-69.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]2C1	REAL300005309676	0	53	0.0	-60.39	387.93	6.46	-53.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]2C1	REAL300005309676	1	53	0.0	-66.18	386.79	6.28	-59.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC4=CC=CC=C43)C[C@H]2C1	REAL300005309677	0	48	0.0	-71.17	368.95	10.54	-60.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC4=CC=CC=C43)C[C@H]2C1	REAL300005309677	1	48	0.0	-69.54	370.97	10.46	-59.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005309678	0	51	0.0	-70.67	394.81	9.93	-60.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005309678	1	51	0.0	-74.43	394.76	9.58	-64.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=C(C4=CC=CC=C4)C=CC3=O)C[C@H]2C1	REAL300005309679	0	53	0.0	-80.04	412.87	9.46	-70.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=C(C4=CC=CC=C4)C=CC3=O)C[C@H]2C1	REAL300005309679	1	53	0.0	-69.57	414.06	9.40	-60.17
COCCOC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309680	0	52	0.0	-72.37	395.29	8.37	-64.00
COCCOC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309680	1	52	0.0	-65.01	389.36	8.56	-56.45
COCCOC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309681	0	52	0.0	-85.91	393.59	7.45	-78.46
COCCOC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309681	1	52	0.0	-81.20	393.39	7.52	-73.68
CC1=CC=C(C)N1C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005309682	0	55	0.0	-67.41	419.31	10.59	-56.82
CC1=CC=C(C)N1C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005309682	1	55	0.0	-63.83	418.69	10.55	-53.28
CCCC(=O)N1CCCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309683	0	54	0.0	-70.56	395.79	9.12	-61.44
CCCC(=O)N1CCCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309683	1	54	0.0	-87.48	397.26	9.06	-78.42
CCCC(=O)N1CCCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005309684	0	57	0.0	-74.89	415.20	8.86	-66.03
CCCC(=O)N1CCCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005309684	1	57	0.0	-76.52	416.41	8.80	-67.72
CCCC(=O)N1CCCCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309685	0	57	0.0	-87.73	408.90	10.10	-77.63
CCCC(=O)N1CCCCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309685	1	57	0.0	-81.44	410.66	10.05	-71.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C([N+](=O)[O-])C=CC3=O)C[C@H]2C1	REAL300005309686	0	46	0.0	-76.44	368.89	8.29	-68.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C([N+](=O)[O-])C=CC3=O)C[C@H]2C1	REAL300005309686	1	46	0.0	-68.73	370.47	8.24	-60.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=C(C3CC3)C3CC3)C[C@H]2C1	REAL300005309687	0	49	0.0	-58.10	363.00	10.10	-48.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=C(C3CC3)C3CC3)C[C@H]2C1	REAL300005309687	1	49	0.0	-61.32	357.86	10.16	-51.16
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C1=CC(C)=CC=C1	REAL300005309688	0	53	0.0	-56.50	403.26	9.38	-47.12
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C1=CC(C)=CC=C1	REAL300005309688	1	53	0.0	-68.15	402.02	9.21	-58.94
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005309689	0	50	0.0	-65.68	376.94	10.39	-55.29
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005309689	1	50	0.0	-63.82	379.09	10.32	-53.50
CC(=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005309690	0	48	0.0	-59.57	373.77	10.43	-49.14
CC(=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005309690	1	48	0.0	-66.31	370.08	10.28	-56.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005309691	0	53	0.0	-73.11	404.31	12.13	-60.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005309691	1	53	0.0	-70.31	404.49	12.18	-58.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC(Cl)=C4)N=C3)C[C@H]2C1	REAL300005309692	0	48	0.0	-65.18	383.44	9.67	-55.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC(Cl)=C4)N=C3)C[C@H]2C1	REAL300005309692	1	48	0.0	-68.86	381.40	9.47	-59.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC(Cl)=C4)C=C3)C[C@H]2C1	REAL300005309693	0	48	0.0	-57.67	388.11	10.22	-47.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC(Cl)=C4)C=C3)C[C@H]2C1	REAL300005309693	1	48	0.0	-68.52	388.53	10.11	-58.41
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005309694	0	47	0.0	-75.88	354.46	8.86	-67.02
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005309694	1	47	0.0	-66.46	356.37	8.93	-57.53
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309695	0	57	0.0	-79.29	430.20	10.52	-68.77
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309695	1	57	0.0	-84.64	430.02	10.58	-74.06
CC(OCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309696	0	51	0.0	-65.13	387.37	9.95	-55.18
CC(OCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309696	1	51	0.0	-73.46	387.72	9.92	-63.54
COC1=CC=C2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)COC2=C1	REAL300005309697	0	53	0.0	-60.71	396.48	8.44	-52.27
COC1=CC=C2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)COC2=C1	REAL300005309697	1	53	0.0	-67.37	393.05	7.91	-59.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCCC3=CC=CC=C3)C[C@H]2C1	REAL300005309698	0	51	0.0	-64.29	394.59	10.29	-54.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCCC3=CC=CC=C3)C[C@H]2C1	REAL300005309698	1	51	0.0	-68.15	393.77	10.24	-57.91
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300005309699	0	55	0.0	-81.02	418.08	11.07	-69.95
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300005309699	1	55	0.0	-71.16	415.38	10.87	-60.29
COC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309700	0	52	0.0	-56.43	378.52	9.32	-47.11
COC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309700	1	52	0.0	-73.00	392.44	9.50	-63.50
CC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309701	0	51	0.0	-64.37	373.24	10.57	-53.80
CC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309701	1	51	0.0	-66.18	380.02	10.44	-55.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C(=O)C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005309702	0	58	0.0	-76.60	429.05	10.05	-66.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C(=O)C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005309702	1	58	0.0	-70.39	429.66	9.97	-60.42
CC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CO2)O1	REAL300005309703	0	50	0.0	-76.08	397.82	6.20	-69.88
CC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CO2)O1	REAL300005309703	1	50	0.0	-69.30	395.68	6.09	-63.21
COCC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309704	0	48	0.0	-67.20	363.59	7.67	-59.53
COCC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309704	1	48	0.0	-76.54	363.49	7.74	-68.80
CC1=CC=C(C2=NC(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CS2)C=C1	REAL300005309705	0	53	0.0	-70.28	423.57	10.72	-59.56
CC1=CC=C(C2=NC(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CS2)C=C1	REAL300005309705	1	53	0.0	-74.36	422.87	10.67	-63.69
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005309706	0	48	0.0	-53.55	360.44	9.66	-43.89
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005309706	1	48	0.0	-75.78	358.55	9.50	-66.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(OC(F)F)C=C3)C[C@H]2C1	REAL300005309707	0	48	0.0	-78.18	376.05	8.65	-69.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(OC(F)F)C=C3)C[C@H]2C1	REAL300005309707	1	48	0.0	-74.71	376.24	8.70	-66.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=C(SC=C4)S3)C[C@H]2C1	REAL300005309708	0	41	0.0	-64.59	350.40	8.90	-55.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=C(SC=C4)S3)C[C@H]2C1	REAL300005309708	1	41	0.0	-69.63	349.83	8.91	-60.72
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC2=CC=CC(F)=C12	REAL300005309709	0	47	0.0	-60.94	364.63	10.11	-50.83
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC2=CC=CC(F)=C12	REAL300005309709	1	47	0.0	-67.95	364.92	10.02	-57.93
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Br	REAL300005309710	0	45	0.0	-58.80	356.94	7.88	-50.92
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Br	REAL300005309710	1	45	0.0	-69.09	358.06	7.96	-61.13
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)S1	REAL300005309711	0	44	0.0	-74.45	341.09	8.53	-65.92
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)S1	REAL300005309711	1	44	0.0	-72.01	339.24	8.57	-63.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C4OCCCOC4=C3)C[C@H]2C1	REAL300005309712	0	50	0.0	-60.43	385.99	8.41	-52.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C4OCCCOC4=C3)C[C@H]2C1	REAL300005309712	1	50	0.0	-65.27	386.15	8.29	-56.98
CC1=CC(N2C(C)=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C)=NO1	REAL300005309713	0	54	0.0	-68.08	408.72	10.84	-57.24
CC1=CC(N2C(C)=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C)=NO1	REAL300005309713	1	54	0.0	-74.73	409.30	10.82	-63.91
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=CC=CC=C2)=N1	REAL300005309714	0	50	0.0	-53.81	393.17	9.53	-44.28
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=CC=CC=C2)=N1	REAL300005309714	1	50	0.0	-68.08	391.71	9.54	-58.54
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=CC=CS2)=N1	REAL300005309715	0	47	0.0	-52.16	385.24	8.61	-43.55
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=CC=CS2)=N1	REAL300005309715	1	47	0.0	-67.70	380.73	8.55	-59.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005309716	0	47	0.0	-57.49	376.88	9.62	-47.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005309716	1	47	0.0	-68.43	376.17	9.65	-58.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C(F)C(F)=C3)C[C@H]2C1	REAL300005309717	0	45	0.0	-62.84	369.85	9.70	-53.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C(F)C(F)=C3)C[C@H]2C1	REAL300005309717	1	45	0.0	-68.31	370.20	9.65	-58.66
CN(C)C(=O)COC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309718	0	55	0.0	-84.66	418.74	9.55	-75.11
CN(C)C(=O)COC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309718	1	55	0.0	-78.46	419.11	9.43	-69.03
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1CCCCC1	REAL300005309719	0	61	0.0	-65.59	425.50	11.67	-53.92
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1CCCCC1	REAL300005309719	1	61	0.0	-72.36	425.50	11.70	-60.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=CC=CS4)=N3)C[C@H]2C1	REAL300005309720	0	47	0.0	-71.37	393.91	9.06	-62.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=CC=CS4)=N3)C[C@H]2C1	REAL300005309720	1	47	0.0	-75.01	393.09	9.00	-66.01
CCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309721	0	44	0.0	-77.05	341.42	8.48	-68.57
CCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309721	1	44	0.0	-69.53	342.35	8.52	-61.01
COC1=CC=C(C)C=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309722	0	51	0.0	-66.66	385.36	9.07	-57.59
COC1=CC=C(C)C=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309722	1	51	0.0	-68.39	387.80	9.04	-59.35
CC1=CC=C(C2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)SC=C2)C=C1	REAL300005309723	0	51	0.0	-64.79	394.55	11.24	-53.55
CC1=CC=C(C2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)SC=C2)C=C1	REAL300005309723	1	51	0.0	-68.51	395.15	11.27	-57.24
CC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309724	0	47	0.0	-63.68	359.49	9.75	-53.93
CC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309724	1	47	0.0	-68.96	359.72	9.71	-59.25
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SN=N1	REAL300005309725	0	42	0.0	-73.76	327.85	5.87	-67.89
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SN=N1	REAL300005309725	1	42	0.0	-67.07	328.92	5.97	-61.10
COC1=CC=C(C)C=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309726	0	52	0.0	-68.94	394.42	9.61	-59.33
COC1=CC=C(C)C=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309726	1	52	0.0	-67.72	396.57	9.54	-58.18
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309727	0	60	0.0	-65.88	439.13	12.35	-53.53
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309727	1	60	0.0	-73.03	436.19	11.84	-61.19
CC1=CC=C(Cl)C(OC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309728	0	51	0.0	-70.32	396.29	10.93	-59.39
CC1=CC=C(Cl)C(OC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309728	1	51	0.0	-74.77	396.71	10.49	-64.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(F)C(Cl)=C3)C[C@H]2C1	REAL300005309729	0	45	0.0	-64.47	370.14	9.59	-54.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(F)C(Cl)=C3)C[C@H]2C1	REAL300005309729	1	45	0.0	-70.06	370.49	9.54	-60.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(Br)=C3)C[C@H]2C1	REAL300005309730	0	45	0.0	-67.95	365.97	10.20	-57.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(Br)=C3)C[C@H]2C1	REAL300005309730	1	45	0.0	-65.77	368.12	10.13	-55.64
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC(C)=CC=C1	REAL300005309731	0	58	0.0	-66.78	431.89	12.57	-54.21
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC(C)=CC=C1	REAL300005309731	1	58	0.0	-73.14	433.25	12.66	-60.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCCC4)S3)C[C@H]2C1	REAL300005309732	0	51	0.0	-73.86	379.94	10.16	-63.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCCC4)S3)C[C@H]2C1	REAL300005309732	1	51	0.0	-67.39	380.61	10.20	-57.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CNC4=CC=CC=C34)C[C@H]2C1	REAL300005309733	0	51	0.0	-63.87	390.33	10.32	-53.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CNC4=CC=CC=C34)C[C@H]2C1	REAL300005309733	1	51	0.0	-71.76	391.42	9.88	-61.88
CC1=CC(C)=NC(SCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309734	0	49	0.0	-62.37	392.74	8.37	-54.00
CC1=CC(C)=NC(SCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309734	1	49	0.0	-68.25	392.03	8.30	-59.95
CC1CCC2=C(C1)SC=C2C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309735	0	51	0.0	-62.59	382.87	10.25	-52.34
CC1CCC2=C(C1)SC=C2C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309735	1	51	0.0	-67.69	379.30	10.09	-57.60
CC1=CC(C)=NN1C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309736	0	54	0.0	-67.42	408.47	10.18	-57.24
CC1=CC(C)=NN1C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309736	1	54	0.0	-62.71	403.42	10.23	-52.48
CCOC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309737	0	58	0.0	-78.27	439.52	9.67	-68.60
CCOC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309737	1	58	0.0	-73.85	439.70	9.72	-64.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OCC3CC3)C[C@H]2C1	REAL300005309738	0	52	0.0	-57.99	390.42	10.90	-47.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OCC3CC3)C[C@H]2C1	REAL300005309738	1	52	0.0	-63.76	388.51	10.87	-52.89
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005309739	0	44	0.0	-72.06	335.97	8.32	-63.74
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005309739	1	44	0.0	-65.73	337.06	8.38	-57.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC=C3F)C[C@H]2C1	REAL300005309740	0	51	0.0	-81.55	394.39	9.54	-72.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC=C3F)C[C@H]2C1	REAL300005309740	1	51	0.0	-76.85	394.58	9.59	-67.26
CCN1C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005309741	0	51	0.0	-65.27	377.80	10.40	-54.87
CCN1C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005309741	1	51	0.0	-62.54	378.05	10.62	-51.92
CCOCCOC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309742	0	51	0.0	-68.90	382.27	7.50	-61.40
CCOCCOC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309742	1	51	0.0	-72.99	379.68	7.01	-65.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC(=O)NC4CC4)=C3)C[C@H]2C1	REAL300005309743	0	54	0.0	-93.90	410.86	7.20	-86.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC(=O)NC4CC4)=C3)C[C@H]2C1	REAL300005309743	1	54	0.0	-88.84	410.98	7.29	-81.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)NC3CCCCC3)C[C@H]2C1	REAL300005309744	0	56	0.0	-61.65	413.04	5.97	-55.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)NC3CCCCC3)C[C@H]2C1	REAL300005309744	1	56	0.0	-64.40	415.13	5.90	-58.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN3CC3=CC=CS3)C[C@H]2C1	REAL300005309745	0	49	0.0	-61.05	381.65	10.46	-50.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN3CC3=CC=CS3)C[C@H]2C1	REAL300005309745	1	49	0.0	-65.93	381.05	10.36	-55.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)NCC3=CC=CO3)C[C@H]2C1	REAL300005309746	0	50	0.0	-59.88	394.16	4.36	-55.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)NCC3=CC=CO3)C[C@H]2C1	REAL300005309746	1	50	0.0	-65.97	393.53	4.31	-61.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C4C=CC=CC4=NN3)C[C@H]2C1	REAL300005309747	0	47	0.0	-80.73	363.73	7.63	-73.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C4C=CC=CC4=NN3)C[C@H]2C1	REAL300005309747	1	47	0.0	-73.47	360.95	7.71	-65.76
CC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309748	0	47	0.0	-71.52	360.86	8.81	-62.71
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3C(=O)C3=CC=CO3)C[C@H]2C1	REAL300005309754	0	55	0.0	-91.30	403.29	9.73	-81.57
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CC(CCC1=CC=CC(F)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309756	0	53	0.0	-68.18	396.53	10.95	-57.23
CC(CCC1=CC=CC(F)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309756	1	53	0.0	-65.83	404.53	11.09	-54.74
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CC1=CC2=C(C=C1C)OC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)C2	REAL300005309757	1	52	0.0	-68.47	388.28	10.33	-58.14
C=CCOCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309758	0	48	0.0	-66.38	366.95	7.86	-58.52
C=CCOCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309758	1	48	0.0	-72.08	366.90	7.50	-64.58
CCCOC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309759	0	57	0.0	-62.48	431.28	11.30	-51.18
CCCOC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309759	1	57	0.0	-69.73	431.24	10.95	-58.78
CC1CCC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309760	0	51	0.0	-62.24	377.26	7.96	-54.28
CC1CCC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309760	1	51	0.0	-65.11	377.55	7.89	-57.22
CC(=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005309761	0	51	0.0	-63.64	403.84	11.38	-52.26
CC(=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005309761	1	51	0.0	-64.70	402.79	11.20	-53.50
CCC(CC)(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005309762	0	56	0.0	-63.89	387.23	10.69	-53.20
CCC(CC)(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005309762	1	56	0.0	-66.06	388.89	10.34	-55.72
CCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005309763	0	49	0.0	-64.58	371.99	9.76	-54.82
CCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005309763	1	49	0.0	-64.82	371.71	9.71	-55.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3CCCC3)C[C@H]2C1	REAL300005309764	0	53	0.0	-72.95	384.50	10.26	-62.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3CCCC3)C[C@H]2C1	REAL300005309764	1	53	0.0	-66.93	385.82	10.22	-56.71
CC(CCOC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309765	0	54	0.0	-69.83	398.59	9.70	-60.13
CC(CCOC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309765	1	54	0.0	-63.13	406.60	9.84	-53.29
CC1=CC(F)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005309766	0	46	0.0	-75.13	363.15	10.01	-65.12
CC1=CC(F)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005309766	1	46	0.0	-81.74	362.74	9.74	-72.00
CCC(OC1=CC=CC=C1F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309767	0	51	0.0	-87.27	379.46	9.99	-77.28
CCC(OC1=CC=CC=C1F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309767	1	51	0.0	-72.25	381.01	9.90	-62.35
CC1=C(C)C=C2OC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005309768	0	50	0.0	-56.36	379.47	10.05	-46.31
CC1=C(C)C=C2OC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005309768	1	50	0.0	-67.37	376.34	9.83	-57.54
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2CCCC2)=N1	REAL300005309769	0	53	0.0	-58.19	397.90	9.62	-48.57
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2CCCC2)=N1	REAL300005309769	1	53	0.0	-66.73	398.95	9.15	-57.58
CCOC1=C(F)C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309770	0	48	0.0	-66.05	371.95	9.14	-56.91
CCOC1=C(F)C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309770	1	48	0.0	-80.80	366.15	9.34	-71.46
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300005309771	0	52	0.0	-63.15	408.46	8.55	-54.60
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300005309771	1	52	0.0	-79.78	404.53	8.39	-71.39
CCCOC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309772	0	51	0.0	-56.41	396.97	10.64	-45.77
CCCOC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309772	1	51	0.0	-66.34	400.45	10.31	-56.03
CCC1=CC=C(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)O2)C=C1	REAL300005309773	0	54	0.0	-60.49	414.66	11.57	-48.92
CCC1=CC=C(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)O2)C=C1	REAL300005309773	1	54	0.0	-66.16	417.02	11.48	-54.68
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005309774	0	54	0.0	-77.56	419.81	9.25	-68.31
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005309774	1	54	0.0	-74.80	418.46	9.27	-65.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC=C3OC(F)F)C[C@H]2C1	REAL300005309775	0	45	0.0	-55.46	363.37	9.20	-46.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC=C3OC(F)F)C[C@H]2C1	REAL300005309775	1	45	0.0	-65.25	366.85	8.87	-56.38
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300005309776	0	51	0.0	-78.82	391.66	9.88	-68.94
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300005309776	1	51	0.0	-68.88	393.68	9.79	-59.09
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005309777	0	50	0.0	-63.65	373.81	8.08	-55.57
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005309777	1	50	0.0	-60.92	373.99	8.07	-52.85
CC(C)CC(C)OCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309778	0	56	0.0	-59.68	412.29	9.38	-50.30
CC(C)CC(C)OCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309778	1	56	0.0	-67.49	412.25	9.06	-58.43
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300005309779	0	47	0.0	-61.04	383.11	10.48	-50.56
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300005309779	1	47	0.0	-58.93	381.49	10.62	-48.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(C(C)(C)C)C=C4)CC3)C[C@H]2C1	REAL300005309780	0	60	0.0	-59.09	437.64	12.64	-46.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(C(C)(C)C)C=C4)CC3)C[C@H]2C1	REAL300005309780	1	60	0.0	-72.16	438.69	12.22	-59.94
CC1=CC(C)=CC(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2)=C1	REAL300005309781	0	57	0.0	-71.44	414.34	11.59	-59.85
CC1=CC(C)=CC(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2)=C1	REAL300005309781	1	57	0.0	-74.64	415.32	11.49	-63.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)OC=N3)C[C@H]2C1	REAL300005309782	0	47	0.0	-74.81	362.70	7.47	-67.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)OC=N3)C[C@H]2C1	REAL300005309782	1	47	0.0	-68.49	365.87	7.28	-61.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=CC4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309783	0	49	0.0	-81.47	383.43	8.08	-73.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=CC4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309783	1	49	0.0	-69.41	381.01	8.20	-61.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(Cl)=C4)CCCC3)C[C@H]2C1	REAL300005309784	0	54	0.0	-57.92	400.86	11.91	-46.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(Cl)=C4)CCCC3)C[C@H]2C1	REAL300005309784	1	54	0.0	-59.97	398.64	11.16	-48.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(Cl)=C4)CC3)C[C@H]2C1	REAL300005309785	0	48	0.0	-67.24	380.51	10.54	-56.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(Cl)=C4)CC3)C[C@H]2C1	REAL300005309785	1	48	0.0	-62.08	376.99	10.64	-51.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(Br)C=CC3=O)C[C@H]2C1	REAL300005309786	0	44	0.0	-74.42	360.74	8.19	-66.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(Br)C=CC3=O)C[C@H]2C1	REAL300005309786	1	44	0.0	-79.11	359.71	8.35	-70.76
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CS2)O1	REAL300005309787	0	47	0.0	-68.02	378.73	7.36	-60.66
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CS2)O1	REAL300005309787	1	47	0.0	-65.48	381.06	7.15	-58.33
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309788	0	56	0.0	-62.30	412.72	9.27	-53.03
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309788	1	56	0.0	-66.67	413.78	8.81	-57.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CCOCC4)C=C3)C[C@H]2C1	REAL300005309789	0	56	0.0	-68.39	413.17	8.48	-59.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CCOCC4)C=C3)C[C@H]2C1	REAL300005309789	1	56	0.0	-69.85	407.41	8.18	-61.67
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2NN=CC2=C1	REAL300005309790	0	47	0.0	-81.45	357.96	7.37	-74.08
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2NN=CC2=C1	REAL300005309790	1	47	0.0	-65.69	359.89	7.33	-58.36
CC1=CC2=CNN=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309790	1	47	0.0	-52.96	357.12	7.55	-45.41
CC1=CC2=CNN=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309790	1	47	0.0	-88.41	358.71	7.48	-80.93
CC1=NOC(C)=C1C(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309791	0	49	0.0	-65.83	360.14	8.46	-57.37
CC1=NOC(C)=C1C(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309791	1	49	0.0	-63.56	362.00	8.02	-55.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C(C)(C)C)=N3)C[C@H]2C1	REAL300005309792	0	49	0.0	-60.33	377.12	8.33	-52.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C(C)(C)C)=N3)C[C@H]2C1	REAL300005309792	1	49	0.0	-58.59	378.02	8.38	-50.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4C=CC=N4)=C3)C[C@H]2C1	REAL300005309793	0	48	0.0	-75.31	366.88	9.15	-66.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4C=CC=N4)=C3)C[C@H]2C1	REAL300005309793	1	48	0.0	-77.60	365.98	9.01	-68.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)CCC3CCCC3)C[C@H]2C1	REAL300005309794	0	57	0.0	-61.07	420.47	7.97	-53.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)CCC3CCCC3)C[C@H]2C1	REAL300005309794	1	57	0.0	-67.18	419.33	7.79	-59.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCC4=CC=CC=C43)C[C@H]2C1	REAL300005309795	0	54	0.0	-63.68	382.86	10.49	-53.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCC4=CC=CC=C43)C[C@H]2C1	REAL300005309795	1	54	0.0	-70.71	377.17	10.29	-60.42
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=C(F)C=C1	REAL300005309796	0	50	0.0	-77.12	391.56	10.40	-66.72
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=C(F)C=C1	REAL300005309796	1	50	0.0	-67.62	387.08	10.45	-57.17
CCCS(=O)(=O)N1CCCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309797	0	55	0.0	-77.73	412.28	7.18	-70.55
CCCS(=O)(=O)N1CCCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309797	1	55	0.0	-83.30	413.92	6.56	-76.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)C=CO3)C[C@H]2C1	REAL300005309798	0	48	0.0	-61.50	370.12	10.05	-51.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)C=CO3)C[C@H]2C1	REAL300005309798	1	48	0.0	-70.23	367.00	9.86	-60.37
COCCN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC1=O	REAL300005309799	0	50	0.0	-60.79	385.42	5.65	-55.14
COCCN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC1=O	REAL300005309799	1	50	0.0	-63.06	387.38	5.64	-57.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3SCC(N)=O)C[C@H]2C1	REAL300005309800	0	49	0.0	-78.22	384.90	5.92	-72.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3SCC(N)=O)C[C@H]2C1	REAL300005309800	1	49	0.0	-73.96	386.70	5.85	-68.11
CC1=NC(CSCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005309801	0	47	0.0	-80.03	388.94	8.17	-71.86
CC1=NC(CSCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005309801	1	47	0.0	-71.07	388.79	8.10	-62.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NC4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309802	0	48	0.0	-80.77	378.71	6.67	-74.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NC4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309802	1	48	0.0	-73.41	380.12	6.64	-66.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005309803	0	54	0.0	-65.77	417.26	11.46	-54.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005309803	1	54	0.0	-70.90	417.21	11.11	-59.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSC3=CC=CC=C3F)C[C@H]2C1	REAL300005309804	0	48	0.0	-61.67	382.99	10.77	-50.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSC3=CC=CC=C3F)C[C@H]2C1	REAL300005309804	1	48	0.0	-68.91	382.95	10.42	-58.49
CC1=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005309805	0	47	0.0	-70.68	362.40	8.59	-62.09
CC1=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005309805	1	47	0.0	-64.10	362.11	8.55	-55.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(Cl)=CC=C4OC3)C[C@H]2C1	REAL300005309806	0	47	0.0	-57.30	380.92	9.26	-48.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(Cl)=CC=C4OC3)C[C@H]2C1	REAL300005309806	1	47	0.0	-59.98	378.54	9.19	-50.79
CC1CC1C1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309807	0	52	0.0	-67.74	400.07	10.74	-57.00
CC1CC1C1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309807	1	52	0.0	-66.40	402.22	10.67	-55.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCC3C4)C[C@H]2C1	REAL300005309808	0	48	0.0	-65.98	339.52	8.82	-57.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCC3C4)C[C@H]2C1	REAL300005309808	1	48	0.0	-65.99	339.16	8.74	-57.25
CC1=C2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CNC2=CC=C1	REAL300005309809	0	51	0.0	-75.32	382.37	9.47	-65.85
CC1=C2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CNC2=CC=C1	REAL300005309809	1	51	0.0	-73.40	384.24	9.44	-63.96
COC(C)(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005309810	0	51	0.0	-55.17	366.01	8.64	-46.53
COC(C)(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005309810	1	51	0.0	-65.64	363.85	8.51	-57.13
CN(C)C(=O)CCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309811	0	50	0.0	-86.90	376.07	7.13	-79.77
CN(C)C(=O)CCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309811	1	50	0.0	-81.56	375.47	7.19	-74.37
CCCN(CCC)C(=O)CCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309812	0	62	0.0	-85.48	460.44	10.58	-74.90
CCCN(CCC)C(=O)CCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309812	1	62	0.0	-80.82	460.63	10.63	-70.19
CCCN(CCC)C(=O)CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309813	0	59	0.0	-70.30	434.91	9.66	-60.64
CCCN(CCC)C(=O)CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309813	1	59	0.0	-67.96	439.14	9.84	-58.12
CCNC(=O)CCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309814	0	50	0.0	-85.79	379.38	6.03	-79.76
CCNC(=O)CCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309814	1	50	0.0	-80.83	379.57	6.07	-74.76
CCNC(=O)CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309815	0	47	0.0	-70.42	357.89	5.25	-65.17
CCNC(=O)CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309815	1	47	0.0	-68.46	358.07	5.29	-63.17
CCCNC(=O)CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309816	0	50	0.0	-59.02	379.62	6.40	-52.62
CCCNC(=O)CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309816	1	50	0.0	-68.41	379.57	6.06	-62.35
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=NNC=N2)=N1	REAL300005309817	0	46	0.0	-72.35	367.93	6.59	-65.76
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=NNC=N2)=N1	REAL300005309817	1	46	0.0	-72.69	368.53	6.60	-66.09
CCCNC(=O)CCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309818	0	53	0.0	-85.84	400.88	6.79	-79.05
CCCNC(=O)CCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309818	1	53	0.0	-80.79	401.07	6.83	-73.96
CC(C)NC(=O)CCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309819	0	53	0.0	-85.68	400.01	6.83	-78.85
CC(C)NC(=O)CCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309819	1	53	0.0	-80.79	400.20	6.87	-73.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C(C(N)=O)=C3)C[C@H]2C1	REAL300005309820	0	52	0.0	-65.78	402.11	6.60	-59.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C(C(N)=O)=C3)C[C@H]2C1	REAL300005309820	1	52	0.0	-72.57	401.31	6.40	-66.17
COC1=CC=CC=C1C(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309821	0	54	0.0	-76.91	400.59	9.71	-67.20
COC1=CC=CC=C1C(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309821	1	54	0.0	-64.67	400.60	9.65	-55.02
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309822	0	50	0.0	-65.75	396.89	10.96	-54.79
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309822	1	50	0.0	-56.95	406.99	11.13	-45.82
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309823	0	55	0.0	-62.64	424.71	10.15	-52.49
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309823	1	55	0.0	-73.65	421.39	9.94	-63.71
CC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309824	0	50	0.0	-46.65	374.29	10.20	-36.45
CC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309824	1	50	0.0	-66.71	372.87	9.99	-56.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=CC=C3)C(F)(F)F)C[C@H]2C1	REAL300005309825	0	50	0.0	-60.64	389.36	10.52	-50.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=CC=C3)C(F)(F)F)C[C@H]2C1	REAL300005309825	1	50	0.0	-67.08	386.85	10.53	-56.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309826	0	50	0.0	-72.82	364.35	9.89	-62.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309826	1	50	0.0	-66.25	361.75	10.02	-56.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CC4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309827	0	49	0.0	-72.44	379.60	8.87	-63.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CC4=CC=CC=C4C3=O)C[C@H]2C1	REAL300005309827	1	49	0.0	-67.72	381.68	8.79	-58.93
CC1=CC=C(C(C)(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309828	0	53	0.0	-72.90	379.38	10.49	-62.41
CC1=CC=C(C(C)(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309828	1	53	0.0	-66.80	380.46	10.71	-56.09
CCC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005309829	0	52	0.0	-61.36	366.51	9.07	-52.29
CCC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005309829	1	52	0.0	-64.27	361.48	8.94	-55.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(=O)NC4CC4)CCC3)C[C@H]2C1	REAL300005309830	0	52	0.0	-53.55	389.95	6.81	-46.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(=O)NC4CC4)CCC3)C[C@H]2C1	REAL300005309830	1	52	0.0	-60.94	388.38	6.69	-54.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCCC4=C3SC=C4)C[C@H]2C1	REAL300005309831	0	49	0.0	-74.49	377.18	9.13	-65.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCCC4=C3SC=C4)C[C@H]2C1	REAL300005309831	1	49	0.0	-64.47	379.51	9.04	-55.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCCC4=CC=CC=C43)C[C@H]2C1	REAL300005309832	0	52	0.0	-66.28	386.98	10.01	-56.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCCC4=CC=CC=C43)C[C@H]2C1	REAL300005309832	1	52	0.0	-70.36	383.31	10.19	-60.17
CC(SC1=CC=C(Cl)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309833	0	48	0.0	-61.98	392.29	11.01	-50.97
CC(SC1=CC=C(Cl)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309833	1	48	0.0	-66.18	394.55	10.59	-55.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309834	0	45	0.0	-64.20	363.55	9.64	-54.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309834	1	45	0.0	-66.24	362.64	9.56	-56.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=C3CCCC4)C[C@H]2C1	REAL300005309835	0	48	0.0	-56.08	363.97	9.62	-46.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=C3CCCC4)C[C@H]2C1	REAL300005309835	1	48	0.0	-62.95	360.42	9.73	-53.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=CS3)C[C@H]2C1	REAL300005309836	0	47	0.0	-75.40	369.92	9.75	-65.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=CS3)C[C@H]2C1	REAL300005309836	1	47	0.0	-69.41	371.24	9.70	-59.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Br)C=C3)C[C@H]2C1	REAL300005309837	0	45	0.0	-65.94	365.96	10.20	-55.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Br)C=C3)C[C@H]2C1	REAL300005309837	1	45	0.0	-64.50	368.11	10.13	-54.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309838	0	48	0.0	-62.47	383.63	10.80	-51.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005309838	1	48	0.0	-68.19	383.58	10.45	-57.74
CCC1=C(C)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309839	0	47	0.0	-63.54	359.45	9.00	-54.54
CCC1=C(C)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309839	1	47	0.0	-69.87	360.58	9.07	-60.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005309840	0	45	0.0	-65.64	372.04	10.02	-55.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005309840	1	45	0.0	-68.51	371.23	9.96	-58.55
CC1=CC=C(SCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309841	0	48	0.0	-62.95	378.55	10.25	-52.70
CC1=CC=C(SCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309841	1	48	0.0	-69.76	378.92	10.21	-59.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005309842	0	48	0.0	-66.94	383.35	10.58	-56.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005309842	1	48	0.0	-65.25	385.50	10.51	-54.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)CC3=CC=CC=C3)C[C@H]2C1	REAL300005309843	0	54	0.0	-85.31	417.89	8.19	-77.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)CC3=CC=CC=C3)C[C@H]2C1	REAL300005309843	1	54	0.0	-80.25	418.07	8.25	-72.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3SCCC4=C3C=CS4)C[C@H]2C1	REAL300005309844	0	46	0.0	-65.76	364.78	9.44	-56.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3SCCC4=C3C=CS4)C[C@H]2C1	REAL300005309844	1	46	0.0	-69.06	365.04	9.52	-59.54
CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309845	0	55	0.0	-72.09	429.53	3.25	-68.84
CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309845	1	55	0.0	-68.96	431.61	3.17	-65.79
CCC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309846	0	53	0.0	-46.53	395.77	10.97	-35.56
CCC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309846	1	53	0.0	-66.69	394.35	10.76	-55.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC(C(F)F)=NC4=C3)C[C@H]2C1	REAL300005309847	0	47	0.0	-61.86	367.69	7.61	-54.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC(C(F)F)=NC4=C3)C[C@H]2C1	REAL300005309847	1	47	0.0	-67.41	368.09	7.46	-59.95
CC(C)C1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005309848	0	46	0.0	-57.17	359.97	7.83	-49.34
CC(C)C1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005309848	1	46	0.0	-66.14	360.39	7.69	-58.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C(C)(C)C)=N3)C[C@H]2C1	REAL300005309849	0	52	0.0	-68.22	402.53	8.60	-59.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C(C)(C)C)=N3)C[C@H]2C1	REAL300005309849	1	52	0.0	-70.37	404.55	8.52	-61.85
CC(=O)N(CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005309850	0	57	0.0	-65.60	428.67	10.61	-54.99
CC(=O)N(CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005309850	1	57	0.0	-69.71	430.03	10.33	-59.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C4=CC=CC=C4CCCC3=O)C[C@H]2C1	REAL300005309851	0	55	0.0	-84.40	406.69	10.40	-74.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C4=CC=CC=C4CCCC3=O)C[C@H]2C1	REAL300005309851	1	55	0.0	-76.33	407.96	10.35	-65.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)C4=CC=CC=C43)C[C@H]2C1	REAL300005309852	0	57	0.0	-58.61	408.51	11.34	-47.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)C4=CC=CC=C43)C[C@H]2C1	REAL300005309852	1	57	0.0	-73.83	409.67	11.30	-62.53
COC1=CC=CC=C1C1CC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309853	0	52	0.0	-70.94	390.97	9.70	-61.24
COC1=CC=CC=C1C1CC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309853	1	52	0.0	-69.62	393.71	9.67	-59.95
CCN(CC)C(=O)CCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309854	0	56	0.0	-76.69	417.67	9.46	-67.23
CCN(CC)C(=O)CCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309854	1	56	0.0	-78.21	418.72	9.02	-69.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)N3C=C([N+](=O)[O-])C=N3)C[C@H]2C1	REAL300005309855	0	49	0.0	-51.61	371.41	7.83	-43.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)N3C=C([N+](=O)[O-])C=N3)C[C@H]2C1	REAL300005309855	1	49	0.0	-65.22	369.85	8.00	-57.22
CC1=NN(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300005309856	0	52	0.0	-74.11	412.51	8.87	-65.24
CC1=NN(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300005309856	1	52	0.0	-71.59	411.83	8.89	-62.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C(C4CC4)=N3)C[C@H]2C1	REAL300005309857	0	54	0.0	-79.06	415.72	11.55	-67.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C(C4CC4)=N3)C[C@H]2C1	REAL300005309857	1	54	0.0	-75.35	413.93	11.29	-64.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCC3C(=O)N3CCCC3)C[C@H]2C1	REAL300005309858	0	61	0.0	-68.71	424.42	9.70	-59.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCC3C(=O)N3CCCC3)C[C@H]2C1	REAL300005309858	1	61	0.0	-72.67	423.90	10.54	-62.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC4=CC=CC=C43)C[C@H]2C1	REAL300005309859	0	49	0.0	-67.21	362.32	8.75	-58.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC4=CC=CC=C43)C[C@H]2C1	REAL300005309859	1	49	0.0	-71.00	366.90	8.61	-62.39
CCC(CC)(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005309860	0	56	0.0	-75.36	405.56	10.91	-64.45
CCC(CC)(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005309860	1	56	0.0	-71.79	403.84	11.22	-60.57
CC1=CC=CC(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCC2)=C1	REAL300005309861	0	57	0.0	-60.43	405.57	12.03	-48.40
CC1=CC=CC(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCC2)=C1	REAL300005309861	1	57	0.0	-69.13	404.37	11.74	-57.39
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300005309862	0	50	0.0	-78.66	377.73	10.36	-68.30
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300005309862	1	50	0.0	-64.01	377.74	10.30	-53.71
CN1C=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005309863	0	48	0.0	-74.90	362.19	9.70	-65.20
CN1C=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005309863	1	48	0.0	-68.26	365.50	9.71	-58.55
COC1=CC=CC=C1C(C)=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309864	0	52	0.0	-63.24	393.76	9.72	-53.52
COC1=CC=CC=C1C(C)=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309864	1	52	0.0	-63.70	395.91	9.64	-54.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CO4)S3)C[C@H]2C1	REAL300005309865	0	44	0.0	-60.06	357.42	7.11	-52.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CO4)S3)C[C@H]2C1	REAL300005309865	1	44	0.0	-60.82	353.78	7.19	-53.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC(C)(C)C)C[C@H]2C1	REAL300005309866	0	52	0.0	-72.60	375.01	9.32	-63.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC(C)(C)C)C[C@H]2C1	REAL300005309866	1	52	0.0	-68.82	375.20	9.36	-59.46
CCN(C)C(=O)C1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309867	0	54	0.0	-72.84	402.86	8.84	-64.00
CCN(C)C(=O)C1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309867	1	54	0.0	-90.25	401.74	8.89	-81.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CC=C4)C=C3)C[C@H]2C1	REAL300005309868	0	52	0.0	-72.69	397.92	11.55	-61.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CC=C4)C=C3)C[C@H]2C1	REAL300005309868	1	52	0.0	-64.45	396.25	11.41	-53.04
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309869	0	56	0.0	-74.34	434.79	8.96	-65.38
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309869	1	56	0.0	-71.60	434.98	9.01	-62.59
CC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N2N=CC=C2N1	REAL300005309870	0	50	0.0	-104.45	385.04	7.28	-97.17
CC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N2N=CC=C2N1	REAL300005309870	1	50	0.0	-101.07	386.49	7.23	-93.84
CC(C)OC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309871	0	51	0.0	-69.46	379.92	9.73	-59.73
CC(C)OC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309871	1	51	0.0	-69.78	376.54	9.43	-60.35
CNC(=O)C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005309872	0	48	0.0	-54.89	355.84	5.09	-49.80
CNC(=O)C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005309872	1	48	0.0	-62.03	354.43	5.19	-56.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(OC(F)F)C=CS3)C[C@H]2C1	REAL300005309873	0	42	0.0	-69.36	335.69	7.44	-61.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(OC(F)F)C=CS3)C[C@H]2C1	REAL300005309873	1	42	0.0	-71.28	337.50	7.55	-63.73
CC(=O)C1=CSC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309874	0	43	0.0	-54.68	340.82	7.54	-47.14
CC(=O)C1=CSC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309874	1	43	0.0	-76.11	342.26	7.43	-68.68
COC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005309875	0	42	0.0	-68.01	327.68	7.21	-60.80
COC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005309875	1	42	0.0	-72.26	327.74	7.29	-64.97
CC1=CC=C(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C(F)=C2)C=C1	REAL300005309876	0	54	0.0	-62.46	411.74	12.51	-49.95
CC1=CC=C(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C(F)=C2)C=C1	REAL300005309876	1	54	0.0	-81.75	410.93	12.17	-69.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309877	0	44	0.0	-65.92	355.19	9.60	-56.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309877	1	44	0.0	-67.75	350.92	9.69	-58.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309878	0	50	0.0	-71.80	374.70	10.34	-61.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309878	1	50	0.0	-65.88	372.08	10.47	-55.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=CC=C3)C[C@H]2C1	REAL300005309879	0	50	0.0	-65.52	379.92	11.06	-54.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=CC=C3)C[C@H]2C1	REAL300005309879	1	50	0.0	-71.23	379.87	10.71	-60.52
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005309880	0	44	0.0	-58.73	342.56	9.03	-49.70
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005309880	1	44	0.0	-75.98	343.67	9.09	-66.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Br)C=CS3)C[C@H]2C1	REAL300005309881	0	38	0.0	-63.57	317.19	7.55	-56.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Br)C=CS3)C[C@H]2C1	REAL300005309881	1	38	0.0	-70.24	316.68	7.55	-62.69
COC1=CC=C(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCC2)C=C1	REAL300005309882	0	58	0.0	-73.58	409.74	10.62	-62.96
COC1=CC=C(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCC2)C=C1	REAL300005309882	1	58	0.0	-68.05	409.70	10.33	-57.72
COC1=CC=C(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309883	0	54	0.0	-77.07	409.20	9.96	-67.11
COC1=CC=C(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309883	1	54	0.0	-72.57	409.39	10.01	-62.56
CC1=CC=C(C)C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309884	0	50	0.0	-63.61	376.67	10.23	-53.38
CC1=CC=C(C)C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309884	1	50	0.0	-70.57	373.83	10.13	-60.44
CN1N=C(C(C)(C)C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309885	0	53	0.0	-75.64	391.08	8.31	-67.33
CN1N=C(C(C)(C)C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309885	1	53	0.0	-65.53	389.76	8.18	-57.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4Cl)=NN3)C[C@H]2C1	REAL300005309886	0	48	0.0	-67.53	381.52	9.09	-58.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4Cl)=NN3)C[C@H]2C1	REAL300005309886	1	48	0.0	-66.98	381.95	9.01	-57.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=CC=C4Cl)=C3)C[C@H]2C1	REAL300005309886	1	48	0.0	-64.96	384.37	8.84	-56.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=CC=C4Cl)=C3)C[C@H]2C1	REAL300005309886	1	48	0.0	-65.89	387.09	8.96	-56.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC([N+](=O)[O-])=C4N3)C[C@H]2C1	REAL300005309887	0	47	0.0	-61.37	365.85	9.18	-52.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC([N+](=O)[O-])=C4N3)C[C@H]2C1	REAL300005309887	1	47	0.0	-65.46	364.93	9.38	-56.08
CC(C)C1=NNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309888	0	47	0.0	-57.17	351.11	7.09	-50.08
CC(C)C1=NNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309888	1	47	0.0	-69.40	351.47	6.75	-62.65
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005309888	1	47	0.0	-58.50	355.31	6.95	-51.55
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005309888	1	47	0.0	-68.37	352.19	6.73	-61.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=C(F)C=C4)=NN3)C[C@H]2C1	REAL300005309889	0	48	0.0	-58.77	374.84	8.86	-49.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=C(F)C=C4)=NN3)C[C@H]2C1	REAL300005309889	1	48	0.0	-69.81	375.28	8.52	-61.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=C(F)C=C4)=C3)C[C@H]2C1	REAL300005309889	1	48	0.0	-60.36	377.55	8.60	-51.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=C(F)C=C4)=C3)C[C@H]2C1	REAL300005309889	1	48	0.0	-67.72	377.97	8.46	-59.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CNC4=CC=C3)C[C@H]2C1	REAL300005309890	0	45	0.0	-73.97	339.63	7.99	-65.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CNC4=CC=C3)C[C@H]2C1	REAL300005309890	1	45	0.0	-79.13	339.41	7.91	-71.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(OC(F)(F)F)C=C3)C[C@H]2C1	REAL300005309891	0	48	0.0	-74.67	382.79	8.86	-65.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(OC(F)(F)F)C=C3)C[C@H]2C1	REAL300005309891	1	48	0.0	-69.44	384.31	8.83	-60.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005309892	0	47	0.0	-76.88	375.76	9.69	-67.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005309892	1	47	0.0	-79.33	376.11	9.65	-69.68
CC(OC1=CC=CC=C1Cl)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309893	0	48	0.0	-70.75	374.91	10.26	-60.49
CC(OC1=CC=CC=C1Cl)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309893	1	48	0.0	-75.29	371.94	9.75	-65.54
CC1=CC(Br)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309894	0	44	0.0	-60.12	351.10	9.34	-50.78
CC1=CC(Br)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309894	1	44	0.0	-68.09	351.70	9.19	-58.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NN3)C[C@H]2C1	REAL300005309895	0	45	0.0	-59.11	341.50	6.99	-52.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NN3)C[C@H]2C1	REAL300005309895	1	45	0.0	-69.70	341.11	6.97	-62.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3SC(F)(F)F)C[C@H]2C1	REAL300005309896	0	45	0.0	-68.65	365.06	9.50	-59.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3SC(F)(F)F)C[C@H]2C1	REAL300005309896	1	45	0.0	-62.20	365.41	9.37	-52.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC(Cl)=C4)=NN3)C[C@H]2C1	REAL300005309897	0	48	0.0	-72.98	385.55	8.95	-64.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC(Cl)=C4)=NN3)C[C@H]2C1	REAL300005309897	1	48	0.0	-66.24	386.24	8.85	-57.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=CC(Cl)=C4)=C3)C[C@H]2C1	REAL300005309897	1	48	0.0	-70.91	386.52	9.07	-61.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=CC(Cl)=C4)=C3)C[C@H]2C1	REAL300005309897	1	48	0.0	-66.46	388.30	8.90	-57.56
CC1=CC(F)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309898	0	44	0.0	-58.79	334.85	8.66	-50.13
CC1=CC(F)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309898	1	44	0.0	-64.86	335.15	8.55	-56.31
CCN1N=C(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309899	0	47	0.0	-65.24	349.15	7.18	-58.06
CCN1N=C(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309899	1	47	0.0	-66.44	351.34	7.12	-59.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC4=C3CCCC4)C[C@H]2C1	REAL300005309900	0	47	0.0	-51.48	351.18	8.57	-42.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC4=C3CCCC4)C[C@H]2C1	REAL300005309900	1	47	0.0	-62.82	350.77	8.50	-54.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC(Br)=C3)C[C@H]2C1	REAL300005309901	0	41	0.0	-59.66	334.85	8.62	-51.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC(Br)=C3)C[C@H]2C1	REAL300005309901	1	41	0.0	-69.52	335.96	8.68	-60.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005309902	0	48	0.0	-66.95	386.25	10.01	-56.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005309902	1	48	0.0	-71.66	386.62	9.98	-61.68
CC1=CC=CC=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309903	0	50	0.0	-71.28	374.90	10.40	-60.88
CC1=CC=CC=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309903	1	50	0.0	-68.21	373.75	10.40	-57.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C(=O)C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005309904	0	58	0.0	-75.07	426.64	9.92	-65.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C(=O)C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005309904	1	58	0.0	-71.29	426.16	9.93	-61.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(F)=C3Cl)C[C@H]2C1	REAL300005309905	0	41	0.0	-83.31	330.19	8.55	-74.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(F)=C3Cl)C[C@H]2C1	REAL300005309905	1	41	0.0	-80.29	329.89	8.58	-71.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(OC(F)F)=C3)C[C@H]2C1	REAL300005309906	0	48	0.0	-67.02	377.72	8.67	-58.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(OC(F)F)=C3)C[C@H]2C1	REAL300005309906	1	48	0.0	-70.06	373.45	8.76	-61.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC=C(F)C=C34)C[C@H]2C1	REAL300005309907	0	48	0.0	-69.11	374.03	9.17	-59.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC=C(F)C=C34)C[C@H]2C1	REAL300005309907	1	48	0.0	-63.42	375.04	9.16	-54.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3N3C=CC=N3)C[C@H]2C1	REAL300005309908	0	48	0.0	-84.79	365.72	9.66	-75.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3N3C=CC=N3)C[C@H]2C1	REAL300005309908	1	48	0.0	-69.38	366.35	9.63	-59.75
COC1=CC=C(Cl)C=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309909	0	49	0.0	-66.15	389.74	9.47	-56.68
COC1=CC=C(Cl)C=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309909	1	49	0.0	-66.03	391.89	9.39	-56.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3OC(F)F)C[C@H]2C1	REAL300005309910	0	48	0.0	-65.98	376.57	8.71	-57.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3OC(F)F)C[C@H]2C1	REAL300005309910	1	48	0.0	-72.07	373.72	8.62	-63.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=C3Br)C[C@H]2C1	REAL300005309911	0	47	0.0	-73.59	375.48	10.35	-63.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=C3Br)C[C@H]2C1	REAL300005309911	1	47	0.0	-71.01	375.61	10.40	-60.61
CC1=CC=C(F)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309912	0	44	0.0	-73.82	335.82	8.72	-65.10
CC1=CC=C(F)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309912	1	44	0.0	-65.91	338.96	8.71	-57.20
CC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309913	0	46	0.0	-77.70	352.07	8.49	-69.21
CC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309913	1	46	0.0	-74.45	346.57	8.19	-66.26
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=C(F)C=C2)=NO1	REAL300005309914	0	50	0.0	-62.57	395.35	10.40	-52.17
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=C(F)C=C2)=NO1	REAL300005309914	1	50	0.0	-61.30	396.19	9.95	-51.35
CCOC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309915	0	48	0.0	-83.08	359.97	8.18	-74.90
CCOC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309915	1	48	0.0	-78.53	359.76	8.25	-70.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3Br)C[C@H]2C1	REAL300005309916	0	44	0.0	-63.27	354.00	9.61	-53.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3Br)C[C@H]2C1	REAL300005309916	1	44	0.0	-66.35	353.86	9.48	-56.87
CC1=C(Br)C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309917	0	44	0.0	-78.01	345.72	9.13	-68.88
CC1=C(Br)C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309917	1	44	0.0	-74.36	345.84	9.21	-65.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC(F)=CC=C34)C[C@H]2C1	REAL300005309918	0	48	0.0	-74.62	374.83	9.19	-65.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC(F)=CC=C34)C[C@H]2C1	REAL300005309918	1	48	0.0	-65.51	374.95	9.16	-56.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005309919	0	47	0.0	-58.91	387.90	11.14	-47.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005309919	1	47	0.0	-65.64	387.80	10.80	-54.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCCC3)C[C@H]2C1	REAL300005309920	0	48	0.0	-66.02	356.56	8.85	-57.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCCC3)C[C@H]2C1	REAL300005309920	1	48	0.0	-69.90	357.58	8.43	-61.47
CCCCC1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309921	0	59	0.0	-61.48	418.03	11.15	-50.33
CCCCC1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005309921	1	59	0.0	-67.28	407.96	11.08	-56.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=CC=C3)C[C@H]2C1	REAL300005309922	0	45	0.0	-76.29	356.46	9.59	-66.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=CC=C3)C[C@H]2C1	REAL300005309922	1	45	0.0	-66.57	356.30	9.51	-57.06
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309923	0	57	0.0	-75.02	441.09	10.95	-64.07
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309923	1	57	0.0	-66.19	442.15	10.89	-55.30
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005309924	0	46	0.0	-63.77	356.66	9.23	-54.54
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005309924	1	46	0.0	-83.44	352.21	9.19	-74.25
COC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309925	0	51	0.0	-62.85	387.93	9.57	-53.28
COC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309925	1	51	0.0	-70.13	387.89	9.22	-60.91
CC1=CC=CC(OC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309926	0	51	0.0	-67.77	380.71	10.42	-57.35
CC1=CC=CC(OC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309926	1	51	0.0	-71.45	380.74	9.94	-61.51
CC1=C(C(C)C)C=C2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1	REAL300005309927	0	59	0.0	-68.89	444.33	11.96	-56.93
CC1=C(C(C)C)C=C2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1	REAL300005309927	1	59	0.0	-70.78	443.75	11.86	-58.92
CC1=CC=C2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1	REAL300005309928	0	50	0.0	-77.12	385.89	10.11	-67.01
CC1=CC=C2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1	REAL300005309928	1	50	0.0	-71.09	387.42	10.06	-61.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC4=C3C3=C(C=CC=C3)C=C4)C[C@H]2C1	REAL300005309929	0	53	0.0	-78.85	405.90	11.53	-67.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC4=C3C3=C(C=CC=C3)C=C4)C[C@H]2C1	REAL300005309929	1	53	0.0	-73.22	407.42	11.48	-61.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005309930	0	47	0.0	-57.09	382.12	9.30	-47.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005309930	1	47	0.0	-64.52	381.75	9.23	-55.29
CC1=CC=CC(C)=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309931	0	51	0.0	-62.98	391.63	10.58	-52.40
CC1=CC=CC(C)=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309931	1	51	0.0	-67.70	388.52	10.42	-57.28
COC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC(F)F	REAL300005309932	0	49	0.0	-63.28	381.55	8.20	-55.08
COC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC(F)F	REAL300005309932	1	49	0.0	-66.60	381.60	8.23	-58.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C3=CC=CO3)C[C@H]2C1	REAL300005309933	0	48	0.0	-82.37	377.50	5.53	-76.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C3=CC=CO3)C[C@H]2C1	REAL300005309933	1	48	0.0	-77.77	377.69	5.58	-72.19
CC(NS(=O)(=O)C1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309934	0	52	0.0	-76.30	405.10	5.11	-71.19
CC(NS(=O)(=O)C1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309934	1	52	0.0	-77.08	407.74	5.10	-71.98
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309935	0	54	0.0	-75.38	416.48	10.46	-64.92
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309935	1	54	0.0	-69.10	414.03	10.30	-58.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC(Br)=C3)C[C@H]2C1	REAL300005309936	0	47	0.0	-60.69	379.73	10.89	-49.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC(Br)=C3)C[C@H]2C1	REAL300005309936	1	47	0.0	-67.05	379.67	10.54	-56.51
COC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C1	REAL300005309937	0	49	0.0	-74.33	370.92	7.74	-66.59
COC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C1	REAL300005309937	1	49	0.0	-71.17	370.49	7.76	-63.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005309938	0	50	0.0	-76.83	411.61	11.63	-65.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005309938	1	50	0.0	-72.77	411.80	11.67	-61.10
CC1=CC=CC(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCCC2)=C1	REAL300005309939	0	60	0.0	-62.98	417.16	11.81	-51.17
CC1=CC=CC(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCCC2)=C1	REAL300005309939	1	60	0.0	-59.27	417.17	11.72	-47.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005309940	0	49	0.0	-86.18	376.45	9.57	-76.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005309940	1	49	0.0	-75.21	367.76	9.34	-65.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(N4C=CC=N4)C=C3)C[C@H]2C1	REAL300005309941	0	51	0.0	-68.70	396.45	10.27	-58.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(N4C=CC=N4)C=C3)C[C@H]2C1	REAL300005309941	1	51	0.0	-71.39	396.48	10.23	-61.16
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309942	0	57	0.0	-70.54	437.26	11.27	-59.27
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005309942	1	57	0.0	-72.86	437.30	11.22	-61.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=C([N+](=O)[O-])C=C4)C=C3)C[C@H]2C1	REAL300005309943	0	50	0.0	-75.84	398.21	10.43	-65.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=C([N+](=O)[O-])C=C4)C=C3)C[C@H]2C1	REAL300005309943	1	50	0.0	-70.44	400.00	10.26	-60.18
CC1=CC=C(C2=NNC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)O1	REAL300005309944	0	48	0.0	-53.52	372.80	7.37	-46.15
CC1=CC=C(C2=NNC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)O1	REAL300005309944	1	48	0.0	-68.52	374.73	7.30	-61.22
CC1=CC(C)=NN1C(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309945	0	53	0.0	-55.89	399.10	8.78	-47.11
CC1=CC(C)=NN1C(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309945	1	53	0.0	-61.91	398.46	8.72	-53.19
CCOC1=CC=CC=C1C1=NNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309946	0	55	0.0	-69.20	418.22	8.95	-60.25
CCOC1=CC=CC=C1C1=NNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309946	1	55	0.0	-68.69	418.65	8.86	-59.83
CCOC1=CC=CC=C1C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005309946	1	55	0.0	-60.99	421.94	8.93	-52.06
CCOC1=CC=CC=C1C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005309946	1	55	0.0	-67.77	424.29	8.84	-58.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C(C)(C)C)C(C4CC4)=C3)C[C@H]2C1	REAL300005309947	0	57	0.0	-59.69	418.30	10.05	-49.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C(C)(C)C)C(C4CC4)=C3)C[C@H]2C1	REAL300005309947	1	57	0.0	-71.94	417.43	10.06	-61.88
CC1=CC(C)=CC(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)=C1	REAL300005309948	0	54	0.0	-59.07	405.43	11.71	-47.36
CC1=CC(C)=CC(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)=C1	REAL300005309948	1	54	0.0	-65.71	405.16	11.21	-54.50
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C(C)(C)C	REAL300005309949	0	53	0.0	-63.10	385.40	8.57	-54.53
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C(C)(C)C	REAL300005309949	1	53	0.0	-71.13	384.11	8.37	-62.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)N=CS3)C[C@H]2C1	REAL300005309950	0	37	0.0	-77.81	307.85	5.52	-72.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)N=CS3)C[C@H]2C1	REAL300005309950	1	37	0.0	-61.57	304.74	5.79	-55.78
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C(C)(C)C	REAL300005309951	0	56	0.0	-60.56	396.68	8.56	-52.00
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C(C)(C)C	REAL300005309951	1	56	0.0	-68.50	393.55	8.38	-60.12
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(Br)=C1	REAL300005309952	0	41	0.0	-56.35	331.90	7.78	-48.57
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(Br)=C1	REAL300005309952	1	41	0.0	-54.78	331.87	7.80	-46.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC(=O)C5=CC=CC=C5N4N=C3)C[C@H]2C1	REAL300005309953	0	50	0.0	-68.96	385.06	7.87	-61.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC(=O)C5=CC=CC=C5N4N=C3)C[C@H]2C1	REAL300005309953	1	50	0.0	-72.02	385.48	7.74	-64.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=NC=CC=N4)=NO3)C[C@H]2C1	REAL300005309954	0	50	0.0	-69.00	400.03	6.17	-62.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=NC=CC=N4)=NO3)C[C@H]2C1	REAL300005309954	1	50	0.0	-76.60	399.99	5.82	-70.78
CCN1C=C(Br)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309955	0	45	0.0	-57.92	355.86	9.00	-48.92
CCN1C=C(Br)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309955	1	45	0.0	-67.44	354.04	9.00	-58.44
CC(C)N1C=C(Br)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309956	0	48	0.0	-53.27	373.11	9.70	-43.57
CC(C)N1C=C(Br)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309956	1	48	0.0	-67.81	374.21	9.59	-58.22
CCC1=NC=NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309957	0	45	0.0	-57.30	340.35	7.39	-49.91
CCC1=NC=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309957	1	45	0.0	-64.36	337.07	7.19	-57.17
CC1=NN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1Cl	REAL300005309958	0	47	0.0	-75.74	376.38	7.99	-67.75
CC1=NN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1Cl	REAL300005309958	1	47	0.0	-74.44	377.56	7.95	-66.49
CC1=NC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309960	0	42	0.0	-60.07	321.83	6.81	-53.26
CC1=NC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005309960	1	42	0.0	-57.83	322.74	6.85	-50.98
CCCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC(C)=C1C(C)=O	REAL300005309961	0	56	0.0	-75.13	432.38	9.24	-65.89
CCCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC(C)=C1C(C)=O	REAL300005309961	1	56	0.0	-69.28	419.54	9.42	-59.86
CC1=NN2C=CC=NC2=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309962	0	46	0.0	-70.19	359.63	7.82	-62.37
CC1=NN2C=CC=NC2=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309962	1	46	0.0	-71.25	361.63	7.73	-63.52
CCCSCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309963	0	44	0.0	-62.64	344.59	8.24	-54.40
CCCSCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309963	1	44	0.0	-69.64	345.00	8.21	-61.43
CCCS(=O)(=O)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309964	0	46	0.0	-81.73	361.51	5.18	-76.55
CCCS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309964	1	46	0.0	-85.97	361.46	4.83	-81.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC(=O)C4=CC=CO4)=C3)C[C@H]2C1	REAL300005309965	0	52	0.0	-79.70	404.99	8.01	-71.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC(=O)C4=CC=CO4)=C3)C[C@H]2C1	REAL300005309965	1	52	0.0	-88.22	404.43	8.06	-80.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4CC4)C=C3)C[C@H]2C1	REAL300005309966	0	52	0.0	-70.09	392.27	9.81	-60.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4CC4)C=C3)C[C@H]2C1	REAL300005309966	1	52	0.0	-69.67	386.76	9.53	-60.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=CC=C3[N+](=O)[O-])C[C@H]2C1	REAL300005309967	0	48	0.0	-80.04	371.59	8.24	-71.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=CC=C3[N+](=O)[O-])C[C@H]2C1	REAL300005309967	1	48	0.0	-76.08	372.97	8.10	-67.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCOCC3=CC=CC=C3)C[C@H]2C1	REAL300005309968	0	51	0.0	-71.82	392.22	9.17	-62.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCOCC3=CC=CC=C3)C[C@H]2C1	REAL300005309968	1	51	0.0	-68.82	392.41	9.22	-59.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005309969	0	45	0.0	-68.70	380.18	10.06	-58.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005309969	1	45	0.0	-70.20	379.39	9.99	-60.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005309970	0	43	0.0	-74.73	335.35	8.58	-66.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005309970	1	43	0.0	-66.67	336.61	8.68	-57.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3Br)C[C@H]2C1	REAL300005309971	0	41	0.0	-60.99	329.81	8.64	-52.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3Br)C[C@H]2C1	REAL300005309971	1	41	0.0	-65.52	326.51	8.43	-57.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005309972	0	50	0.0	-75.14	379.20	11.19	-63.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005309972	1	50	0.0	-65.42	379.31	11.16	-54.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005309973	0	48	0.0	-62.16	370.13	6.88	-55.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005309973	1	48	0.0	-64.65	372.22	6.80	-57.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Br)C=C3)C[C@H]2C1	REAL300005309974	0	41	0.0	-67.07	330.62	8.61	-58.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Br)C=C3)C[C@H]2C1	REAL300005309974	1	41	0.0	-67.31	325.12	8.34	-58.97
CC1=CC=C(C)C(SCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309975	0	51	0.0	-75.72	396.38	10.83	-64.89
CC1=CC=C(C)C(SCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005309975	1	51	0.0	-69.54	397.42	10.77	-58.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309976	0	41	0.0	-67.30	326.06	8.51	-58.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005309976	1	41	0.0	-67.46	320.56	8.23	-59.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CS3)C[C@H]2C1	REAL300005309977	0	41	0.0	-66.31	326.01	8.22	-58.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CS3)C[C@H]2C1	REAL300005309977	1	41	0.0	-67.26	328.03	8.14	-59.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005309978	0	53	0.0	-68.09	385.45	10.31	-57.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005309978	1	53	0.0	-59.81	383.78	10.17	-49.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3NC3=CC=CC=C3)C[C@H]2C1	REAL300005309979	0	53	0.0	-67.74	404.09	10.59	-57.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3NC3=CC=CC=C3)C[C@H]2C1	REAL300005309979	1	53	0.0	-68.59	399.58	10.36	-58.23
CCCCCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309980	0	52	0.0	-62.78	384.51	10.37	-52.41
CCCCCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005309980	1	52	0.0	-69.07	384.46	10.01	-59.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C1	REAL300005309981	0	43	0.0	-69.92	337.51	8.66	-61.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C1	REAL300005309981	1	43	0.0	-68.27	332.02	8.39	-59.88
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005309982	0	41	0.0	-75.92	315.14	7.57	-68.35
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005309982	1	41	0.0	-66.07	316.62	7.66	-58.41
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309983	0	41	0.0	-77.57	319.90	7.69	-69.88
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005309983	1	41	0.0	-69.91	320.86	7.73	-62.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005309984	0	52	0.0	-68.28	397.73	10.84	-57.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005309984	1	52	0.0	-59.03	397.02	10.78	-48.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005309985	0	44	0.0	-67.70	348.02	8.99	-58.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005309985	1	44	0.0	-67.38	342.53	8.72	-58.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309986	0	41	0.0	-72.46	325.34	8.47	-63.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005309986	1	41	0.0	-75.92	325.16	8.53	-67.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005309987	0	44	0.0	-62.94	347.56	8.96	-53.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005309987	1	44	0.0	-67.76	347.46	9.03	-58.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C=C3[N+](=O)[O-])C[C@H]2C1	REAL300005309988	0	43	0.0	-79.73	353.63	10.15	-69.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C=C3[N+](=O)[O-])C[C@H]2C1	REAL300005309988	1	43	0.0	-59.78	355.18	10.14	-49.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CO3)C[C@H]2C1	REAL300005309989	0	42	0.0	-63.13	327.22	7.76	-55.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CO3)C[C@H]2C1	REAL300005309989	1	42	0.0	-64.52	329.36	7.70	-56.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C1	REAL300005309990	0	47	0.0	-70.99	372.84	10.25	-60.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C1	REAL300005309990	1	47	0.0	-68.50	374.99	10.17	-58.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005309991	0	47	0.0	-67.48	354.61	10.21	-57.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005309991	1	47	0.0	-61.90	355.58	10.17	-51.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(CC(Cl)(C5)C3)C4)C[C@H]2C1	REAL300005309992	0	55	0.0	-62.09	385.90	10.24	-51.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(CC(Cl)(C5)C3)C4)C[C@H]2C1	REAL300005309992	1	55	0.0	-69.58	383.38	10.11	-59.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC5=C(CCCC5)C4=C3)C[C@H]2C1	REAL300005309993	0	55	0.0	-61.69	401.32	10.72	-50.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC5=C(CCCC5)C4=C3)C[C@H]2C1	REAL300005309993	1	55	0.0	-69.71	402.19	10.26	-59.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=NC4=CC=CC=C4C(=O)N3)C[C@H]2C1	REAL300005309994	0	55	0.0	-84.26	424.27	9.13	-75.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=NC4=CC=CC=C4C(=O)N3)C[C@H]2C1	REAL300005309994	1	55	0.0	-79.69	424.45	9.18	-70.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4CCCC4=C3)C[C@H]2C1	REAL300005309995	0	51	0.0	-63.94	383.97	11.00	-52.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4CCCC4=C3)C[C@H]2C1	REAL300005309995	1	51	0.0	-69.17	383.64	10.93	-58.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CC=C4O3)C[C@H]2C1	REAL300005309996	0	46	0.0	-83.40	349.12	9.21	-74.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CC=C4O3)C[C@H]2C1	REAL300005309996	1	46	0.0	-68.38	349.86	9.13	-59.25
CC1CC1C1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309997	0	54	0.0	-71.03	413.76	11.08	-59.95
CC1CC1C1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005309997	1	54	0.0	-67.85	413.94	11.13	-56.72
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300005309998	0	44	0.0	-66.43	347.14	6.77	-59.66
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300005309998	1	44	0.0	-63.13	343.01	6.83	-56.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(Cl)=CC=C4N3)C[C@H]2C1	REAL300005309999	0	45	0.0	-75.83	358.21	8.96	-66.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(Cl)=CC=C4N3)C[C@H]2C1	REAL300005309999	1	45	0.0	-71.57	357.79	8.98	-62.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NN=CC4=CC=C3)C[C@H]2C1	REAL300005310000	0	44	0.0	-82.56	336.41	6.71	-75.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NN=CC4=CC=C3)C[C@H]2C1	REAL300005310000	1	44	0.0	-68.25	335.07	6.54	-61.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CNN=C43)C[C@H]2C1	REAL300005310000	1	44	0.0	-70.74	338.54	6.83	-63.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CNN=C43)C[C@H]2C1	REAL300005310000	1	44	0.0	-76.16	335.20	6.63	-69.53
CC1=CC=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005310001	0	48	0.0	-59.68	361.98	9.47	-50.21
CC1=CC=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005310001	1	48	0.0	-72.20	362.45	9.14	-63.06
CC1=NNC(=O)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005310002	0	46	0.0	-69.67	351.74	4.80	-64.87
CC1=NNC(=O)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005310002	1	46	0.0	-62.24	350.38	4.99	-57.25
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=C(F)C=C1	REAL300005310003	0	51	0.0	-63.20	391.59	9.69	-53.51
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=C(F)C=C1	REAL300005310003	1	51	0.0	-66.57	389.57	9.50	-57.07
CC1=CC(C)=NC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NN21	REAL300005310004	0	49	0.0	-76.59	374.38	8.08	-68.51
CC1=CC(C)=NC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NN21	REAL300005310004	1	49	0.0	-83.54	374.13	8.12	-75.42
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CO2)S1	REAL300005310005	0	47	0.0	-69.70	376.53	8.50	-61.20
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CC=CO2)S1	REAL300005310005	1	47	0.0	-67.58	377.89	8.34	-59.24
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1NS(C)(=O)=O	REAL300005310006	0	52	0.0	-78.47	398.91	5.39	-73.08
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1NS(C)(=O)=O	REAL300005310006	1	52	0.0	-87.87	399.28	5.46	-82.41
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC(C)=CC=C1	REAL300005310007	0	54	0.0	-56.19	407.23	10.27	-45.92
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC(C)=CC=C1	REAL300005310007	1	54	0.0	-71.54	405.83	10.28	-61.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)(F)C3=CC=CC=C3)C[C@H]2C1	REAL300005310008	0	44	0.0	-67.06	342.99	9.01	-58.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)(F)C3=CC=CC=C3)C[C@H]2C1	REAL300005310008	1	44	0.0	-67.26	344.41	8.94	-58.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN3CC3=CC=CC=C3)C[C@H]2C1	REAL300005310009	0	52	0.0	-64.55	386.60	11.28	-53.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN3CC3=CC=CC=C3)C[C@H]2C1	REAL300005310009	1	52	0.0	-62.50	389.70	11.30	-51.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=CC=CO4)=NO3)C[C@H]2C1	REAL300005310010	0	49	0.0	-75.35	390.58	6.53	-68.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4=CC=CO4)=NO3)C[C@H]2C1	REAL300005310010	1	49	0.0	-72.66	390.76	6.58	-66.08
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=C(C)C=C1	REAL300005310011	0	54	0.0	-54.76	404.15	10.26	-44.50
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=C(C)C=C1	REAL300005310011	1	54	0.0	-64.78	405.69	10.42	-54.36
CCS(=O)(=O)NC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310012	0	52	0.0	-94.65	408.07	5.47	-89.18
CCS(=O)(=O)NC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310012	1	52	0.0	-76.83	403.21	5.65	-71.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310013	0	46	0.0	-74.63	366.68	9.76	-64.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310013	1	46	0.0	-75.68	362.41	9.85	-65.83
CN1C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005310014	0	48	0.0	-66.10	357.27	9.50	-56.60
CN1C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005310014	1	48	0.0	-68.44	355.10	9.39	-59.05
COC1=CC(Cl)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310015	0	45	0.0	-78.98	355.47	8.76	-70.22
COC1=CC(Cl)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310015	1	45	0.0	-61.89	355.93	8.77	-53.12
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005310016	0	47	0.0	-66.91	364.63	8.70	-58.21
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005310016	1	47	0.0	-75.07	363.71	8.73	-66.34
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310017	0	48	0.0	-72.04	362.03	8.90	-63.14
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310017	1	48	0.0	-71.19	363.81	8.83	-62.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(F)=CC=C3F)C[C@H]2C1	REAL300005310018	0	44	0.0	-76.04	348.66	9.18	-66.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(F)=CC=C3F)C[C@H]2C1	REAL300005310018	1	44	0.0	-68.64	345.89	9.25	-59.39
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Br	REAL300005310019	0	44	0.0	-58.54	346.59	9.12	-49.42
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Br	REAL300005310019	1	44	0.0	-75.91	347.70	9.18	-66.73
COC1=C2OC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=CC=C1	REAL300005310020	0	48	0.0	-55.65	370.70	8.10	-47.55
COC1=C2OC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=CC=C1	REAL300005310020	1	48	0.0	-69.10	367.59	7.90	-61.20
CC1CCCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005310021	0	50	0.0	-62.57	359.06	9.50	-53.07
CC1CCCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005310021	1	50	0.0	-67.44	346.78	8.88	-58.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC=C4Cl)=C3)C[C@H]2C1	REAL300005310022	0	47	0.0	-67.87	383.91	10.13	-57.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC=C4Cl)=C3)C[C@H]2C1	REAL300005310022	1	47	0.0	-66.50	384.40	10.14	-56.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC=C4F)=C3)C[C@H]2C1	REAL300005310023	0	47	0.0	-68.42	375.41	9.75	-58.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC=C4F)=C3)C[C@H]2C1	REAL300005310023	1	47	0.0	-67.13	375.92	9.76	-57.37
COC1=CC=C([N+](=O)[O-])C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310024	0	47	0.0	-65.24	364.68	9.22	-56.02
COC1=CC=C([N+](=O)[O-])C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310024	1	47	0.0	-86.83	367.42	8.97	-77.86
CC(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310025	0	50	0.0	-50.04	371.85	10.20	-39.84
CC(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310025	1	50	0.0	-61.75	375.90	10.19	-51.56
CN1C=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005310026	0	51	0.0	-75.74	390.86	10.84	-64.90
CN1C=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005310026	1	51	0.0	-70.08	392.44	10.79	-59.29
COC1=CC=C2NC=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005310027	0	52	0.0	-70.05	397.08	8.39	-61.66
COC1=CC=C2NC=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005310027	1	52	0.0	-64.31	398.09	8.38	-55.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOCC3=CC=CC=C3)C[C@H]2C1	REAL300005310028	0	54	0.0	-77.66	413.72	9.94	-67.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOCC3=CC=CC=C3)C[C@H]2C1	REAL300005310028	1	54	0.0	-73.45	413.90	9.97	-63.48
CC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2N1	REAL300005310029	0	51	0.0	-64.74	389.83	9.63	-55.11
CC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2N1	REAL300005310029	1	51	0.0	-64.05	387.10	9.56	-54.49
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310030	0	44	0.0	-63.41	333.83	8.62	-54.79
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310030	1	44	0.0	-72.50	335.11	8.72	-63.78
CC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310031	0	47	0.0	-74.16	358.24	9.73	-64.43
CC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310031	1	47	0.0	-66.30	355.63	9.86	-56.44
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005310032	0	48	0.0	-62.79	359.21	8.02	-54.77
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005310032	1	48	0.0	-71.16	359.84	7.88	-63.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4F)S3)C[C@H]2C1	REAL300005310033	0	48	0.0	-68.46	386.66	10.78	-57.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4F)S3)C[C@H]2C1	REAL300005310033	1	48	0.0	-66.37	386.86	10.83	-55.54
CCNS(=O)(=O)C1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310034	0	52	0.0	-73.64	406.15	4.97	-68.67
CCNS(=O)(=O)C1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310034	1	52	0.0	-84.35	406.04	5.03	-79.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC=C3)C[C@H]2C1	REAL300005310035	0	50	0.0	-66.13	359.82	9.87	-56.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC=C3)C[C@H]2C1	REAL300005310035	1	50	0.0	-67.99	355.34	9.95	-58.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310036	0	51	0.0	-72.48	391.01	11.07	-61.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310036	1	51	0.0	-70.08	391.19	11.11	-58.97
CCNS(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310037	0	52	0.0	-73.16	406.94	5.01	-68.15
CCNS(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310037	1	52	0.0	-75.43	401.44	4.75	-70.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005310038	0	41	0.0	-65.14	339.03	8.88	-56.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005310038	1	41	0.0	-66.91	339.22	8.76	-58.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4)CCCC3)C[C@H]2C1	REAL300005310039	0	54	0.0	-71.91	386.65	11.39	-60.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4)CCCC3)C[C@H]2C1	REAL300005310039	1	54	0.0	-65.95	386.61	11.10	-54.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(CC(C5)C3)C4)C[C@H]2C1	REAL300005310040	0	55	0.0	-75.35	368.41	9.76	-65.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(CC(C5)C3)C4)C[C@H]2C1	REAL300005310040	1	55	0.0	-68.08	367.39	9.66	-58.42
CC(=O)NC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310041	0	48	0.0	-79.40	365.30	6.90	-72.50
CC(=O)NC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310041	1	48	0.0	-74.40	359.52	6.62	-67.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=C3)C[C@H]2C1	REAL300005310042	0	47	0.0	-71.94	358.19	9.88	-62.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=C3)C[C@H]2C1	REAL300005310042	1	47	0.0	-68.78	358.37	9.91	-58.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CNC4=CC=CC=C34)C[C@H]2C1	REAL300005310043	0	54	0.0	-77.35	411.60	10.71	-66.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CNC4=CC=CC=C34)C[C@H]2C1	REAL300005310043	1	54	0.0	-70.80	412.92	10.67	-60.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(Br)=C3)C[C@H]2C1	REAL300005310044	0	41	0.0	-72.26	329.90	8.56	-63.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(Br)=C3)C[C@H]2C1	REAL300005310044	1	41	0.0	-75.77	329.72	8.63	-67.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3)C[C@H]2C1	REAL300005310045	0	45	0.0	-79.16	346.86	9.03	-70.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3)C[C@H]2C1	REAL300005310045	1	45	0.0	-68.77	346.70	8.95	-59.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OC4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005310046	0	52	0.0	-83.99	397.81	10.81	-73.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OC4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005310046	1	52	0.0	-79.45	397.18	10.85	-68.60
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300005310047	0	50	0.0	-76.99	395.69	6.76	-70.23
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300005310047	1	50	0.0	-76.52	397.09	6.68	-69.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCO3)C[C@H]2C1	REAL300005310048	0	48	0.0	-73.84	355.07	7.21	-66.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCO3)C[C@H]2C1	REAL300005310048	1	48	0.0	-65.99	352.19	7.34	-58.65
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005310049	0	49	0.0	-70.63	374.79	7.77	-62.86
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005310049	1	49	0.0	-83.03	376.63	7.50	-75.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4F)C=C3)C[C@H]2C1	REAL300005310050	0	48	0.0	-64.12	372.80	9.68	-54.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4F)C=C3)C[C@H]2C1	REAL300005310050	1	48	0.0	-67.61	375.20	9.82	-57.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=C(F)C=C4)C=C3)C[C@H]2C1	REAL300005310051	0	48	0.0	-59.70	377.80	9.79	-49.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=C(F)C=C4)C=C3)C[C@H]2C1	REAL300005310051	1	48	0.0	-69.32	374.67	9.57	-59.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005310052	0	48	0.0	-58.69	371.38	9.70	-48.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005310052	1	48	0.0	-70.07	368.26	9.50	-60.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOCCC3=CC=CC=C3)C[C@H]2C1	REAL300005310053	0	57	0.0	-76.22	435.21	10.72	-65.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOCCC3=CC=CC=C3)C[C@H]2C1	REAL300005310053	1	57	0.0	-72.20	435.40	10.75	-61.45
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005310054	0	49	0.0	-63.29	389.49	4.47	-58.82
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005310054	1	49	0.0	-73.48	388.31	4.31	-69.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(N4C=NN=N4)C=CS3)C[C@H]2C1	REAL300005310055	0	43	0.0	-81.76	344.60	7.52	-74.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(N4C=NN=N4)C=CS3)C[C@H]2C1	REAL300005310055	1	43	0.0	-80.09	345.99	7.62	-72.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=CC=CC=C4N3)C[C@H]2C1	REAL300005310056	0	45	0.0	-63.47	355.97	8.99	-54.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=CC=CC=C4N3)C[C@H]2C1	REAL300005310056	1	45	0.0	-68.46	356.39	8.86	-59.60
CC1=CC=C(C2=NOC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1	REAL300005310057	0	50	0.0	-67.91	388.78	9.93	-57.98
CC1=CC=C(C2=NOC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1	REAL300005310057	1	50	0.0	-64.29	390.54	9.85	-54.44
CNS(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005310058	0	46	0.0	-64.44	371.35	2.60	-61.84
CNS(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005310058	1	46	0.0	-74.32	370.17	2.45	-71.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=NC(C(C)(C)C)=NO3)C[C@H]2C1	REAL300005310059	0	57	0.0	-80.00	432.99	7.86	-72.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=NC(C(C)(C)C)=NO3)C[C@H]2C1	REAL300005310059	1	57	0.0	-75.36	433.18	7.91	-67.45
CC1=NOC(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310060	0	48	0.0	-80.03	371.27	6.25	-73.78
CC1=NOC(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310060	1	48	0.0	-75.41	371.45	6.30	-69.11
CCC1=NOC(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310061	0	51	0.0	-79.97	392.75	6.86	-73.11
CCC1=NOC(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310061	1	51	0.0	-75.31	392.94	6.91	-68.40
CCN(CC)C(=O)N1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310062	0	62	0.0	-79.08	434.66	9.22	-69.86
CCN(CC)C(=O)N1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310062	1	62	0.0	-71.70	434.01	8.96	-62.74
CC1=CC(NC(=O)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005310063	0	44	0.0	-56.73	341.71	5.86	-50.87
CC1=CC(NC(=O)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005310063	1	44	0.0	-61.19	343.87	5.78	-55.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=CC(Cl)=CC=C4N3)C[C@H]2C1	REAL300005310064	0	45	0.0	-64.52	372.68	9.50	-55.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=CC(Cl)=CC=C4N3)C[C@H]2C1	REAL300005310064	1	45	0.0	-68.57	369.55	9.29	-59.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC([N+](=O)[O-])=C4)C=C3)C[C@H]2C1	REAL300005310065	0	50	0.0	-61.23	399.59	10.38	-50.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC([N+](=O)[O-])=C4)C=C3)C[C@H]2C1	REAL300005310065	1	50	0.0	-72.91	400.01	10.26	-62.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=CC(F)=CC=C4N3)C[C@H]2C1	REAL300005310066	0	45	0.0	-65.71	362.05	9.04	-56.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=CC(F)=CC=C4N3)C[C@H]2C1	REAL300005310066	1	45	0.0	-69.46	359.00	8.82	-60.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC(F)(F)F)C[C@H]2C1	REAL300005310067	0	38	0.0	-60.50	321.29	7.16	-53.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC(F)(F)F)C[C@H]2C1	REAL300005310067	1	38	0.0	-66.43	317.42	6.99	-59.44
CC1=CC=C(C2=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CS2)O1	REAL300005310068	0	47	0.0	-58.96	379.55	8.45	-50.51
CC1=CC=C(C2=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CS2)O1	REAL300005310068	1	47	0.0	-59.55	380.45	8.49	-51.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(Cl)S3)C[C@H]2C1	REAL300005310069	0	44	0.0	-60.40	365.70	9.98	-50.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(Cl)S3)C[C@H]2C1	REAL300005310069	1	44	0.0	-66.35	365.65	9.63	-56.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(CC4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005310070	0	53	0.0	-69.42	425.33	10.72	-58.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(CC4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005310070	1	53	0.0	-73.58	424.63	10.66	-62.92
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(CC2=CC=CC=C2)=N1	REAL300005310071	0	53	0.0	-65.39	414.77	10.22	-55.17
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(CC2=CC=CC=C2)=N1	REAL300005310071	1	53	0.0	-67.70	415.15	10.25	-57.45
CCOC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C1	REAL300005310072	0	52	0.0	-74.02	392.77	8.67	-65.35
CCOC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C1	REAL300005310072	1	52	0.0	-67.09	392.95	8.57	-58.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(CC4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005310073	0	50	0.0	-72.78	399.02	10.31	-62.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(CC4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005310073	1	50	0.0	-68.14	400.65	10.15	-57.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC4=CC(F)=CC=C43)C[C@H]2C1	REAL300005310074	0	47	0.0	-61.33	373.80	7.31	-54.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC4=CC(F)=CC=C43)C[C@H]2C1	REAL300005310074	1	47	0.0	-73.27	370.55	7.11	-66.16
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=C1C(=O)CCC2	REAL300005310075	0	50	0.0	-70.64	374.38	8.86	-61.78
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=C1C(=O)CCC2	REAL300005310075	1	50	0.0	-74.68	373.20	8.71	-65.97
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310076	0	48	0.0	-75.44	386.32	10.24	-65.20
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310076	1	48	0.0	-73.56	387.65	10.19	-63.37
CCCC1=NOC(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310077	0	54	0.0	-79.93	414.25	7.63	-72.30
CCCC1=NOC(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310077	1	54	0.0	-75.13	414.44	7.68	-67.45
COC1=CC=C2C(=C1)C=CN2CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310078	0	52	0.0	-71.48	401.21	9.81	-61.67
COC1=CC=C2C(=C1)C=CN2CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310078	1	52	0.0	-74.19	398.36	9.72	-64.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=NC=C(C4=CC=CC=C4)O3)C[C@H]2C1	REAL300005310079	0	56	0.0	-80.64	434.88	9.14	-71.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=NC=C(C4=CC=CC=C4)O3)C[C@H]2C1	REAL300005310079	1	56	0.0	-76.22	435.07	9.18	-67.04
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310080	0	58	0.0	-72.01	441.12	9.13	-62.88
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310080	1	58	0.0	-73.49	435.69	8.83	-64.66
CC(C)CNC(=O)N1CCCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005310081	0	62	0.0	-57.63	449.49	8.60	-49.03
CC(C)CNC(=O)N1CCCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005310081	1	62	0.0	-67.01	444.95	8.45	-58.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005310082	0	50	0.0	-65.94	384.58	11.35	-54.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005310082	1	50	0.0	-68.41	383.89	11.29	-57.12
CCOC1=CC=CC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310083	0	52	0.0	-69.34	394.88	9.87	-59.47
CCOC1=CC=CC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310083	1	52	0.0	-68.03	397.03	9.80	-58.23
CC(C)COC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310084	0	54	0.0	-82.83	401.57	9.67	-73.16
CC(C)COC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310084	1	54	0.0	-78.23	401.36	9.74	-68.49
CC(OC1=CC=CC(Cl)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310085	0	48	0.0	-69.72	376.02	10.26	-59.46
CC(OC1=CC=CC(Cl)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310085	1	48	0.0	-69.38	376.08	9.79	-59.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3Br)C[C@H]2C1	REAL300005310086	0	45	0.0	-69.17	362.95	10.09	-59.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3Br)C[C@H]2C1	REAL300005310086	1	45	0.0	-67.07	365.10	10.02	-57.05
CC1=CC=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310087	0	48	0.0	-65.75	366.07	10.24	-55.51
CC1=CC=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310087	1	48	0.0	-64.90	368.23	10.17	-54.73
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005310088	0	53	0.0	-66.04	409.27	11.34	-54.70
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005310088	1	53	0.0	-66.49	411.42	11.27	-55.22
CC(=O)NC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310089	0	48	0.0	-72.83	369.13	6.91	-65.92
CC(=O)NC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310089	1	48	0.0	-75.08	368.12	6.83	-68.25
CCS(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310090	0	50	0.0	-74.32	391.45	6.43	-67.89
CCS(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310090	1	50	0.0	-77.84	385.95	6.16	-71.68
CC(C)CCSCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310091	0	50	0.0	-62.65	383.72	9.55	-53.10
CC(C)CCSCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310091	1	50	0.0	-66.22	382.88	9.48	-56.74
CCCCOC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310092	0	50	0.0	-77.02	369.26	8.45	-68.57
CCCCOC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310092	1	50	0.0	-72.07	367.20	8.36	-63.71
C=CCCOC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310093	0	48	0.0	-65.76	361.10	8.65	-57.11
C=CCCOC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310093	1	48	0.0	-72.28	358.51	8.14	-64.14
CC(C)CCOC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310094	0	53	0.0	-65.82	387.36	9.39	-56.43
CC(C)CCOC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310094	1	53	0.0	-71.99	384.76	8.89	-63.10
CC(OCC1CCCCO1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310095	0	55	0.0	-71.32	402.34	8.27	-63.05
CC(OCC1CCCCO1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310095	1	55	0.0	-73.09	400.97	8.22	-64.87
CC(OCC1CCCO1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310096	0	52	0.0	-72.46	383.75	7.40	-65.06
CC(OCC1CCCO1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310096	1	52	0.0	-73.55	381.19	7.20	-66.35
CC(OCC1CC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310097	0	48	0.0	-66.49	358.46	8.86	-57.63
CC(OCC1CC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310097	1	48	0.0	-72.44	357.44	8.48	-63.96
CC1=CC=C(CCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310098	0	56	0.0	-63.15	422.83	12.51	-50.64
CC1=CC=C(CCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310098	1	56	0.0	-69.77	422.78	12.16	-57.61
CC1=CC=C(C)C(OCCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310099	0	60	0.0	-74.39	451.14	11.67	-62.72
CC1=CC=C(C)C(OCCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310099	1	60	0.0	-70.68	451.33	11.71	-58.97
CC1=CC=CC(OCCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310100	0	57	0.0	-74.24	431.07	10.92	-63.32
CC1=CC=CC(OCCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310100	1	57	0.0	-70.62	431.26	10.96	-59.66
CC(C)OC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310101	0	54	0.0	-66.47	407.76	9.94	-56.53
CC(C)OC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310101	1	54	0.0	-69.74	407.39	9.87	-59.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Br)C(C4CC4)=NN3)C[C@H]2C1	REAL300005310102	0	45	0.0	-57.93	361.10	8.02	-49.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Br)C(C4CC4)=NN3)C[C@H]2C1	REAL300005310102	1	45	0.0	-69.59	361.50	7.68	-61.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310103	0	49	0.0	-53.99	379.28	9.23	-44.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310103	1	49	0.0	-60.74	378.73	9.17	-51.57
CN1C=C(C2CC2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005310104	0	48	0.0	-80.10	361.09	8.01	-72.09
CN1C=C(C2CC2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005310104	1	48	0.0	-71.08	362.29	7.94	-63.14
COCCOCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310105	0	48	0.0	-61.69	366.18	5.79	-55.90
COCCOCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310105	1	48	0.0	-70.22	366.13	5.44	-64.78
CC(CC1=CC=CC(F)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310106	0	50	0.0	-65.20	374.28	10.11	-55.09
CC(CC1=CC=CC(F)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310106	1	50	0.0	-66.30	376.44	10.06	-56.24
CC(CC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310107	0	50	0.0	-63.95	374.27	10.11	-53.84
CC(CC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310107	1	50	0.0	-63.37	382.15	10.24	-53.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CSC=N3)C[C@H]2C1	REAL300005310108	0	43	0.0	-71.03	342.50	6.90	-64.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CSC=N3)C[C@H]2C1	REAL300005310108	1	43	0.0	-65.88	343.82	6.84	-59.04
COC1=CC=C(C)C=C1N1C=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310109	0	55	0.0	-54.34	418.54	10.10	-44.24
COC1=CC=C(C)C=C1N1C=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310109	1	55	0.0	-67.19	418.94	10.01	-57.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN(CC4=CC=CC=C4)C3=O)C[C@H]2C1	REAL300005310110	0	54	0.0	-67.51	421.88	11.36	-56.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN(CC4=CC=CC=C4)C3=O)C[C@H]2C1	REAL300005310110	1	54	0.0	-80.45	420.77	10.97	-69.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)CC3CCCCC3)C[C@H]2C1	REAL300005310111	0	57	0.0	-61.13	414.53	7.83	-53.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)CC3CCCCC3)C[C@H]2C1	REAL300005310111	1	57	0.0	-63.45	416.68	7.75	-55.70
CC(NC(=O)CC1CCCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310112	0	60	0.0	-57.84	433.77	8.44	-49.40
CC(NC(=O)CC1CCCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310112	1	60	0.0	-67.49	435.84	8.42	-59.07
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)NC(=O)C1CCCC1	REAL300005310113	0	57	0.0	-76.09	419.29	8.29	-67.80
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)NC(=O)C1CCCC1	REAL300005310113	1	57	0.0	-78.37	418.15	8.11	-70.26
CN1C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C1=CC=C(F)C=C1	REAL300005310114	0	52	0.0	-61.42	391.00	11.07	-50.35
CN1C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C1=CC=C(F)C=C1	REAL300005310114	1	52	0.0	-71.58	390.80	10.73	-60.85
CC1=CC=CC(N2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)=C1	REAL300005310115	0	50	0.0	-67.99	387.24	8.94	-59.05
CC1=CC=CC(N2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)=C1	REAL300005310115	1	50	0.0	-66.06	389.05	8.80	-57.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C(=O)CC(C)(C)C)C[C@H]2C1	REAL300005310116	0	60	0.0	-74.54	426.79	10.11	-64.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C(=O)CC(C)(C)C)C[C@H]2C1	REAL300005310116	1	60	0.0	-85.05	428.96	10.04	-75.01
CC1=CC=CC=C1C(C)(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310117	0	53	0.0	-66.39	367.39	9.73	-56.66
CC1=CC=CC=C1C(C)(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310117	1	53	0.0	-62.81	369.38	9.55	-53.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005310118	0	56	0.0	-60.64	403.60	9.25	-51.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005310118	1	56	0.0	-68.30	399.75	9.10	-59.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC(F)=C3F)C[C@H]2C1	REAL300005310119	0	47	0.0	-78.19	369.94	9.96	-68.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC(F)=C3F)C[C@H]2C1	REAL300005310119	1	47	0.0	-67.49	370.24	10.02	-57.47
CC1=NN(C)C(C)=C1C(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310120	0	53	0.0	-50.43	383.73	8.27	-42.16
CC1=NN(C)C(C)=C1C(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310120	1	53	0.0	-73.42	381.17	7.83	-65.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3CCCO3)C[C@H]2C1	REAL300005310121	0	49	0.0	-66.69	370.13	6.93	-59.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3CCCO3)C[C@H]2C1	REAL300005310121	1	49	0.0	-72.87	369.69	6.84	-66.03
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C(C)(C)C)=N1	REAL300005310122	0	52	0.0	-53.35	395.26	8.30	-45.05
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C(C)(C)C)=N1	REAL300005310122	1	52	0.0	-67.07	394.08	8.32	-58.75
CC1=CC=C(C2=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)C(C)=C1	REAL300005310123	0	53	0.0	-56.36	416.53	10.29	-46.07
CC1=CC=C(C2=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)C(C)=C1	REAL300005310123	1	53	0.0	-63.70	411.99	10.66	-53.04
CC1=CN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C12	REAL300005310124	0	51	0.0	-71.22	390.85	11.22	-60.00
CC1=CN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C12	REAL300005310124	1	51	0.0	-69.51	392.88	11.13	-58.38
CC1=CC=C2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CNC2=C1	REAL300005310125	0	51	0.0	-75.12	389.78	9.77	-65.35
CC1=CC=C2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CNC2=C1	REAL300005310125	1	51	0.0	-64.77	389.92	9.75	-55.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC(Cl)=CC=C34)C[C@H]2C1	REAL300005310126	0	48	0.0	-74.03	385.13	9.62	-64.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC(Cl)=CC=C34)C[C@H]2C1	REAL300005310126	1	48	0.0	-64.66	385.26	9.59	-55.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Cl)=CC=C3Cl)C[C@H]2C1	REAL300005310127	0	44	0.0	-72.99	367.47	10.00	-62.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Cl)=CC=C3Cl)C[C@H]2C1	REAL300005310127	1	44	0.0	-66.59	364.70	10.08	-56.51
CC1CCCC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005310128	0	53	0.0	-72.29	377.48	9.95	-62.34
CC1CCCC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005310128	1	53	0.0	-66.62	378.79	9.90	-56.72
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCCC1	REAL300005310129	0	56	0.0	-61.90	389.78	10.60	-51.30
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCCC1	REAL300005310129	1	56	0.0	-67.33	393.86	10.45	-56.88
CC1=NN(C2=CC=CC=C2)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310130	0	51	0.0	-68.09	388.66	9.81	-58.28
CC1=NN(C2=CC=CC=C2)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310130	1	51	0.0	-71.22	386.42	9.64	-61.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005310131	0	51	0.0	-79.64	404.19	10.02	-69.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005310131	1	51	0.0	-75.08	404.38	10.07	-65.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CS(C)(=O)=O)O3)C[C@H]2C1	REAL300005310132	0	47	0.0	-58.00	380.34	4.81	-53.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CS(C)(=O)=O)O3)C[C@H]2C1	REAL300005310132	1	47	0.0	-75.18	376.68	4.60	-70.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(OC3CCCC3)C3=CC=CC=C3)C[C@H]2C1	REAL300005310133	0	58	0.0	-80.23	429.73	11.90	-68.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(OC3CCCC3)C3=CC=CC=C3)C[C@H]2C1	REAL300005310133	1	58	0.0	-67.59	421.95	11.87	-55.72
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005310136	0	50	0.0	-86.79	402.43	10.35	-76.44
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C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC=CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005310146	1	48	0.0	-68.31	375.32	10.42	-57.89
CC(C)C1=NN(C)C(Cl)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310147	0	50	0.0	-70.95	398.61	8.28	-62.67
CC(C)C1=NN(C)C(Cl)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310147	1	50	0.0	-66.59	396.15	8.13	-58.46
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CC1=CC=C(C2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=CO2)C=C1	REAL300005310148	1	50	0.0	-65.65	383.98	8.35	-57.30
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CCCC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310149	1	46	0.0	-70.78	359.10	7.40	-63.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC4=CC=CC=C4N3)C[C@H]2C1	REAL300005310150	0	52	0.0	-63.37	403.88	6.83	-56.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC4=CC=CC=C4N3)C[C@H]2C1	REAL300005310150	1	52	0.0	-65.35	405.97	6.75	-58.60
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COCCOCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310151	1	55	0.0	-78.78	422.48	8.15	-70.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3CCCCC3)C[C@H]2C1	REAL300005310152	0	54	0.0	-66.70	382.24	10.78	-55.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3CCCCC3)C[C@H]2C1	REAL300005310152	1	54	0.0	-67.10	391.37	10.64	-56.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C(C)(C)C)=C3)C[C@H]2C1	REAL300005310153	0	49	0.0	-53.99	371.90	8.56	-45.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C(C)(C)C)=C3)C[C@H]2C1	REAL300005310153	1	49	0.0	-64.90	372.21	8.44	-56.46
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)S2	REAL300005310154	0	53	0.0	-66.21	413.28	8.93	-57.28
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)S2	REAL300005310154	1	53	0.0	-68.35	413.41	8.99	-59.36
CCN1N=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005310155	0	47	0.0	-59.21	377.76	7.91	-51.30
CCN1N=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005310155	1	47	0.0	-68.80	376.51	7.73	-61.07
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1N1C=NC=N1	REAL300005310156	0	50	0.0	-88.50	375.61	11.39	-77.11
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1N1C=NC=N1	REAL300005310156	1	50	0.0	-73.66	376.64	11.45	-62.21
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310157	0	50	0.0	-71.74	382.93	11.23	-60.51
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310157	1	50	0.0	-80.55	381.30	11.21	-69.34
CN1C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300005310158	0	52	0.0	-60.12	384.02	11.00	-49.12
CN1C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300005310158	1	52	0.0	-71.76	384.58	10.66	-61.10
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300005310159	0	47	0.0	-68.02	360.02	9.57	-58.45
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300005310159	1	47	0.0	-63.96	352.25	9.48	-54.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4=CC=CS4)N=N3)C[C@H]2C1	REAL300005310160	0	47	0.0	-55.35	382.62	7.82	-47.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4=CC=CS4)N=N3)C[C@H]2C1	REAL300005310160	1	47	0.0	-66.11	383.06	7.72	-58.39
CC1=NN(C)C(C)=C1CC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310161	0	56	0.0	-68.69	409.02	8.77	-59.92
CC1=NN(C)C(C)=C1CC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310161	1	56	0.0	-62.82	413.95	8.82	-54.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005310162	0	57	0.0	-75.56	409.96	11.74	-63.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005310162	1	57	0.0	-69.42	412.15	11.76	-57.66
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310163	0	46	0.0	-63.79	357.99	9.37	-54.42
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310163	1	46	0.0	-72.23	356.24	9.37	-62.86
COC1=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005310164	0	51	0.0	-74.86	403.04	9.78	-65.08
COC1=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005310164	1	51	0.0	-74.70	402.21	9.70	-65.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005310165	0	51	0.0	-80.62	400.80	9.60	-71.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005310165	1	51	0.0	-75.73	400.99	9.65	-66.08
CCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310166	0	46	0.0	-47.69	353.40	7.35	-40.34
CCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310166	1	46	0.0	-66.92	355.44	7.24	-59.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@H]2C1	REAL300005310167	0	50	0.0	-49.96	361.07	5.46	-44.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@H]2C1	REAL300005310167	1	50	0.0	-56.46	360.14	5.12	-51.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC4=CC=C([N+](=O)[O-])C=C34)C[C@H]2C1	REAL300005310168	0	47	0.0	-90.07	368.72	8.67	-81.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC4=CC=C([N+](=O)[O-])C=C34)C[C@H]2C1	REAL300005310168	1	47	0.0	-60.91	367.67	8.64	-52.27
CNC(=O)C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310169	0	45	0.0	-64.49	343.74	4.70	-59.79
CNC(=O)C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310169	1	45	0.0	-64.59	347.37	4.63	-59.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=NC=CC=N4)S3)C[C@H]2C1	REAL300005310170	0	45	0.0	-79.12	365.21	6.20	-72.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=NC=CC=N4)S3)C[C@H]2C1	REAL300005310170	1	45	0.0	-64.90	362.25	6.48	-58.42
CCC(C)C(=O)N1CCCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005310171	0	60	0.0	-60.70	429.40	9.17	-51.53
CCC(C)C(=O)N1CCCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005310171	1	60	0.0	-64.15	429.39	9.08	-55.07
COC1=CC(Br)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310172	0	45	0.0	-78.72	360.04	8.86	-69.86
COC1=CC(Br)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310172	1	45	0.0	-61.68	360.49	8.87	-52.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310173	0	47	0.0	-81.20	353.53	10.24	-70.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310173	1	47	0.0	-78.83	353.29	10.29	-68.54
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005310174	0	47	0.0	-90.73	365.39	8.74	-81.99
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005310174	1	47	0.0	-66.55	363.27	8.59	-57.96
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005310175	0	47	0.0	-77.52	348.34	9.20	-68.32
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005310175	1	47	0.0	-68.65	345.70	9.01	-59.64
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC=C1[N+](=O)[O-]	REAL300005310176	0	46	0.0	-74.26	351.09	9.18	-65.08
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC=C1[N+](=O)[O-]	REAL300005310176	1	46	0.0	-77.83	351.98	9.06	-68.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=CC=C3)C3=CC=CC=C3)C[C@H]2C1	REAL300005310177	0	57	0.0	-75.39	425.58	12.96	-62.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=CC=C3)C3=CC=CC=C3)C[C@H]2C1	REAL300005310177	1	57	0.0	-67.51	423.04	13.10	-54.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CC3=CC=CC=C3)C[C@H]2C1	REAL300005310178	0	54	0.0	-62.22	404.45	12.20	-50.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CC3=CC=CC=C3)C[C@H]2C1	REAL300005310178	1	54	0.0	-64.13	400.71	12.30	-51.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4CCC3C4)C[C@H]2C1	REAL300005310179	0	51	0.0	-62.80	363.65	9.69	-53.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4CCC3C4)C[C@H]2C1	REAL300005310179	1	51	0.0	-65.41	359.01	9.73	-55.68
COC1=CC(OC)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005310180	0	53	0.0	-58.23	395.46	7.66	-50.57
COC1=CC(OC)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005310180	1	53	0.0	-64.83	398.04	7.50	-57.33
CCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310181	0	50	0.0	-64.74	371.47	10.54	-54.20
CCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310181	1	50	0.0	-68.56	374.56	10.11	-58.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310182	0	47	0.0	-76.12	372.86	10.25	-65.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310182	1	47	0.0	-71.77	375.01	10.17	-61.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=CC=CC=C4S3)C[C@H]2C1	REAL300005310183	0	44	0.0	-65.74	358.82	9.84	-55.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=CC=CC=C4S3)C[C@H]2C1	REAL300005310183	1	44	0.0	-60.23	355.21	10.07	-50.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=CC=C(F)C=C4S3)C[C@H]2C1	REAL300005310184	0	44	0.0	-59.71	365.88	9.96	-49.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=CC=C(F)C=C4S3)C[C@H]2C1	REAL300005310184	1	44	0.0	-58.35	361.62	10.14	-48.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Br)C=C3)C[C@H]2C1	REAL300005310185	0	44	0.0	-73.59	358.08	9.69	-63.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Br)C=C3)C[C@H]2C1	REAL300005310185	1	44	0.0	-68.30	359.61	9.66	-58.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCCC3)C[C@H]2C1	REAL300005310186	0	53	0.0	-62.76	379.21	10.44	-52.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCCC3)C[C@H]2C1	REAL300005310186	1	53	0.0	-68.88	379.16	10.10	-58.78
CC1=CC=C(C(=O)NCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310187	0	48	0.0	-62.09	384.10	6.67	-55.42
CC1=CC=C(C(=O)NCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310187	1	48	0.0	-64.35	386.19	6.59	-57.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3CCS(=O)(=O)C3)C[C@H]2C1	REAL300005310188	0	48	0.0	-82.55	383.77	5.40	-77.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3CCS(=O)(=O)C3)C[C@H]2C1	REAL300005310188	1	48	0.0	-75.10	384.45	5.38	-69.72
CNS(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310189	0	49	0.0	-73.47	385.89	4.16	-69.31
CNS(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310189	1	49	0.0	-75.80	380.40	3.89	-71.91
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310190	0	47	0.0	-73.64	366.79	9.00	-64.64
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310190	1	47	0.0	-71.45	368.53	8.76	-62.69
COC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005310191	0	48	0.0	-81.08	371.00	8.39	-72.69
COC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005310191	1	48	0.0	-65.30	371.48	8.39	-56.91
CC(C)CC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310192	0	56	0.0	-73.54	417.94	11.75	-61.79
CC(C)CC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310192	1	56	0.0	-68.41	419.46	11.72	-56.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C1	REAL300005310193	0	54	0.0	-72.17	421.75	9.86	-62.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C1	REAL300005310193	1	54	0.0	-74.83	421.70	9.51	-65.32
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310194	0	57	0.0	-80.06	433.16	11.16	-68.90
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310194	1	57	0.0	-75.61	433.65	11.10	-64.51
CC1=CC=NN1C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310195	0	51	0.0	-67.27	386.54	9.59	-57.68
CC1=CC=NN1C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310195	1	51	0.0	-62.39	381.48	9.64	-52.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCS(=O)(=O)C3)C[C@H]2C1	REAL300005310196	0	47	0.0	-72.93	359.30	5.11	-67.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCS(=O)(=O)C3)C[C@H]2C1	REAL300005310196	1	47	0.0	-73.38	360.49	4.68	-68.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4CCCC4=O)=C3)C[C@H]2C1	REAL300005310197	0	52	0.0	-85.86	387.32	9.12	-76.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4CCCC4=O)=C3)C[C@H]2C1	REAL300005310197	1	52	0.0	-92.25	385.71	9.13	-83.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4OC3)C[C@H]2C1	REAL300005310198	0	47	0.0	-52.41	350.48	8.42	-43.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4OC3)C[C@H]2C1	REAL300005310198	1	47	0.0	-61.24	351.06	8.40	-52.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CC3=CC=CC=C3)N3C=NN=N3)C[C@H]2C1	REAL300005310199	0	52	0.0	-64.62	402.53	10.08	-54.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CC3=CC=CC=C3)N3C=NN=N3)C[C@H]2C1	REAL300005310199	1	52	0.0	-56.87	402.62	9.89	-46.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310200	0	51	0.0	-65.07	392.41	9.65	-55.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310200	1	51	0.0	-71.32	393.18	9.63	-61.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310201	0	48	0.0	-65.74	366.93	9.18	-56.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310201	1	48	0.0	-68.29	368.43	9.05	-59.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005310202	0	47	0.0	-58.32	354.88	7.13	-51.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005310202	1	47	0.0	-77.66	352.89	7.17	-70.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)C3=CSC=C3)C[C@H]2C1	REAL300005310203	0	51	0.0	-75.82	406.11	7.23	-68.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)C3=CSC=C3)C[C@H]2C1	REAL300005310203	1	51	0.0	-72.75	406.30	7.27	-65.48
CC1=NOC(C(C)C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310204	0	49	0.0	-58.75	376.39	8.62	-50.13
CC1=NOC(C(C)C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310204	1	49	0.0	-62.45	378.60	8.54	-53.91
CCOC1=CC=CC=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310205	0	54	0.0	-74.83	408.36	10.16	-64.67
CCOC1=CC=CC=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310205	1	54	0.0	-70.09	409.69	10.11	-59.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005310206	0	59	0.0	-71.59	434.40	12.20	-59.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005310206	1	59	0.0	-68.61	434.58	12.25	-56.36
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(F)=C1	REAL300005310207	0	45	0.0	-61.43	345.65	7.73	-53.70
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(F)=C1	REAL300005310207	1	45	0.0	-81.70	344.84	7.40	-74.30
CC(C)C(NC(=O)C1=CC=CS1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310208	0	54	0.0	-72.09	407.42	7.82	-64.27
CC(C)C(NC(=O)C1=CC=CS1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310208	1	54	0.0	-60.81	410.85	7.92	-52.89
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C12	REAL300005310209	0	51	0.0	-59.69	382.40	10.00	-49.69
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C12	REAL300005310209	1	51	0.0	-78.04	381.58	9.65	-68.39
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)NC(=O)C1=CC=CC=C1	REAL300005310210	0	54	0.0	-70.64	414.34	8.68	-61.96
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)NC(=O)C1=CC=CC=C1	REAL300005310210	1	54	0.0	-80.61	410.48	8.53	-72.08
CC(C)C1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310211	0	54	0.0	-78.73	407.07	10.96	-67.77
CC(C)C1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310211	1	54	0.0	-68.17	406.84	10.88	-57.29
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310212	0	52	0.0	-62.60	402.66	9.21	-53.39
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310212	1	52	0.0	-73.64	399.54	9.01	-64.63
CC(=O)NCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310213	0	51	0.0	-73.74	391.53	7.01	-66.73
CC(=O)NCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310213	1	51	0.0	-74.84	385.73	6.74	-68.10
CC(=O)NC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310214	0	51	0.0	-77.85	393.15	7.97	-69.88
CC(=O)NC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310214	1	51	0.0	-79.67	394.68	7.91	-71.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3C(C)(C)C)C[C@H]2C1	REAL300005310215	0	57	0.0	-63.19	418.59	11.53	-51.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3C(C)(C)C)C[C@H]2C1	REAL300005310215	1	57	0.0	-67.04	417.81	11.46	-55.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)N(C4=CC=CC=C4)N=N3)C[C@H]2C1	REAL300005310216	0	54	0.0	-67.66	410.40	10.00	-57.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)N(C4=CC=CC=C4)N=N3)C[C@H]2C1	REAL300005310216	1	54	0.0	-66.76	411.79	9.87	-56.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCS(=O)(=O)C3)C[C@H]2C1	REAL300005310217	0	44	0.0	-58.70	340.37	3.89	-54.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCS(=O)(=O)C3)C[C@H]2C1	REAL300005310217	1	44	0.0	-71.45	336.35	3.70	-67.75
CC1=CC2=CC=CC=C2N1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310218	0	51	0.0	-77.07	389.91	10.98	-66.09
CC1=CC2=CC=CC=C2N1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310218	1	51	0.0	-72.01	387.11	11.05	-60.96
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310219	0	56	0.0	-75.54	418.73	12.24	-63.30
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310219	1	56	0.0	-76.66	418.42	12.14	-64.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005310220	0	51	0.0	-76.66	404.90	9.99	-66.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005310220	1	51	0.0	-72.20	405.08	10.03	-62.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310221	0	57	0.0	-79.04	433.20	11.80	-67.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310221	1	57	0.0	-74.61	433.39	11.84	-62.77
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1C	REAL300005310222	0	54	0.0	-56.32	403.87	10.55	-45.77
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1C	REAL300005310222	1	54	0.0	-71.69	402.81	10.47	-61.22
COCCSCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310223	0	45	0.0	-62.51	356.77	6.51	-56.00
COCCSCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310223	1	45	0.0	-69.35	357.18	6.48	-62.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)CC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005310224	0	51	0.0	-63.42	401.16	7.63	-55.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)CC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005310224	1	51	0.0	-67.31	403.25	7.55	-59.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(OC3=CC=CC=C3)C3=CC=CC=C3)C[C@H]2C1	REAL300005310225	0	55	0.0	-81.26	417.29	12.29	-68.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(OC3=CC=CC=C3)C3=CC=CC=C3)C[C@H]2C1	REAL300005310225	1	55	0.0	-70.47	416.92	12.12	-58.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCCCCC3=O)C[C@H]2C1	REAL300005310226	0	54	0.0	-70.05	377.93	8.59	-61.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCCCCC3=O)C[C@H]2C1	REAL300005310226	1	54	0.0	-76.24	377.05	8.53	-67.71
CN1C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(Cl)=C1Cl	REAL300005310227	0	42	0.0	-61.40	343.97	8.28	-53.12
CN1C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(Cl)=C1Cl	REAL300005310227	1	42	0.0	-64.58	341.70	8.16	-56.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3CCCS3(=O)=O)C[C@H]2C1	REAL300005310228	0	49	0.0	-79.53	380.25	4.39	-75.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3CCCS3(=O)=O)C[C@H]2C1	REAL300005310228	1	49	0.0	-75.07	380.44	4.44	-70.63
CCCOC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310229	0	55	0.0	-67.14	417.44	10.62	-56.52
CCCOC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310229	1	55	0.0	-65.80	419.59	10.54	-55.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCOCC3)C[C@H]2C1	REAL300005310230	0	48	0.0	-73.02	347.69	6.95	-66.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCOCC3)C[C@H]2C1	REAL300005310230	1	48	0.0	-67.87	349.20	6.91	-60.96
CC(=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310231	0	48	0.0	-61.74	364.67	10.38	-51.36
CC(=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310231	1	48	0.0	-63.46	366.62	10.29	-53.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=CC=CC=C43)C[C@H]2C1	REAL300005310232	0	51	0.0	-63.88	375.68	10.50	-53.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=CC=CC=C43)C[C@H]2C1	REAL300005310232	1	51	0.0	-69.26	375.73	10.45	-58.81
CC1=NC(C2=CC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=CS1	REAL300005310233	0	50	0.0	-73.20	394.46	9.42	-63.78
CC1=NC(C2=CC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=CS1	REAL300005310233	1	50	0.0	-75.18	392.11	9.24	-65.94
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O	REAL300005310234	0	43	0.0	-86.36	333.20	3.82	-82.54
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O	REAL300005310234	1	43	0.0	-77.39	334.44	4.07	-73.32
CCSCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310235	0	44	0.0	-59.57	343.22	8.61	-50.96
CCSCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310235	1	44	0.0	-67.15	343.18	8.26	-58.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@H]2C1	REAL300005310236	0	50	0.0	-82.37	381.95	6.33	-76.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@H]2C1	REAL300005310236	1	50	0.0	-86.40	381.89	5.98	-80.42
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310237	0	53	0.0	-74.16	407.54	8.47	-65.69
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310237	1	53	0.0	-72.12	407.34	8.37	-63.75
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310238	0	53	0.0	-80.38	403.29	8.25	-72.13
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310238	1	53	0.0	-75.32	405.06	8.17	-67.15
CCCC(=O)N1CSCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310239	0	52	0.0	-61.28	395.33	9.06	-52.22
CCCC(=O)N1CSCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310239	1	52	0.0	-81.29	397.18	9.05	-72.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSCN3C(=O)CC(C)(C)C)C[C@H]2C1	REAL300005310240	0	58	0.0	-67.45	423.68	9.93	-57.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSCN3C(=O)CC(C)(C)C)C[C@H]2C1	REAL300005310240	1	58	0.0	-66.11	431.38	9.04	-57.07
CCCCC(=O)N1CSCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310241	0	55	0.0	-61.27	416.82	9.84	-51.43
CCCCC(=O)N1CSCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310241	1	55	0.0	-81.42	418.67	9.83	-71.59
CC(C)OC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310242	0	54	0.0	-65.03	403.90	10.01	-55.02
CC(C)OC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310242	1	54	0.0	-69.27	403.75	9.89	-59.38
CCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005310243	0	44	0.0	-60.83	335.72	7.99	-52.84
CCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005310243	1	44	0.0	-67.30	334.54	7.84	-59.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(N)=O)=C3)C[C@H]2C1	REAL300005310244	0	45	0.0	-78.50	341.66	4.70	-73.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(N)=O)=C3)C[C@H]2C1	REAL300005310244	1	45	0.0	-88.86	342.93	4.80	-84.06
C=CCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310245	0	49	0.0	-70.10	373.49	8.82	-61.28
C=CCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310245	1	49	0.0	-70.03	367.99	8.53	-61.50
CC(C)CCC(=O)NCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310246	0	53	0.0	-61.03	395.30	6.63	-54.40
CC(C)CCC(=O)NCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310246	1	53	0.0	-63.73	397.39	6.56	-57.17
CC1CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC(C)(C)C1	REAL300005310247	0	59	0.0	-72.02	411.46	10.83	-61.19
CC1CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC(C)(C)C1	REAL300005310247	1	59	0.0	-63.29	406.08	10.86	-52.43
COC1=CC=C(CCCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310248	0	60	0.0	-76.76	452.20	11.52	-65.24
COC1=CC=C(CCCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310248	1	60	0.0	-72.56	452.38	11.56	-61.00
CCSC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005310249	0	50	0.0	-72.31	375.05	9.09	-63.22
CCSC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005310249	1	50	0.0	-66.89	374.37	8.96	-57.93
CC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CSC=C2)O1	REAL300005310250	0	50	0.0	-70.59	402.34	7.10	-63.49
CC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CSC=C2)O1	REAL300005310250	1	50	0.0	-70.80	405.55	7.04	-63.76
CCN1N=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005310251	0	50	0.0	-62.32	381.70	8.36	-53.96
CCN1N=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005310251	1	50	0.0	-66.27	382.75	7.91	-58.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=CC=C3)N3CCCCC3=O)C[C@H]2C1	REAL300005310252	0	58	0.0	-77.28	421.43	12.42	-64.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=CC=C3)N3CCCCC3=O)C[C@H]2C1	REAL300005310252	1	58	0.0	-71.30	424.24	12.27	-59.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005310253	0	53	0.0	-57.37	399.04	11.11	-46.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005310253	1	53	0.0	-70.23	394.34	10.96	-59.27
CC(C)CC(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310254	0	52	0.0	-64.56	371.00	9.44	-55.12
CC(C)CC(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310254	1	52	0.0	-64.35	373.21	9.35	-55.00
CC(C)OC1=CC=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310255	0	55	0.0	-67.13	413.93	10.43	-56.70
CC(C)OC1=CC=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310255	1	55	0.0	-66.80	416.08	10.35	-56.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005310256	0	62	0.0	-74.96	455.90	12.98	-61.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005310256	1	62	0.0	-71.10	456.08	13.03	-58.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CC=CC=C43)C[C@H]2C1	REAL300005310257	0	48	0.0	-63.91	361.44	10.03	-53.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CC=CC=C43)C[C@H]2C1	REAL300005310257	1	48	0.0	-67.64	360.97	9.99	-57.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(S(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005310258	0	49	0.0	-82.56	390.98	4.03	-78.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(S(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005310258	1	49	0.0	-78.47	391.17	4.08	-74.39
CN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C(F)F	REAL300005310259	0	44	0.0	-71.79	339.94	6.46	-65.33
CN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C(F)F	REAL300005310259	1	44	0.0	-76.83	338.84	6.50	-70.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC([N+](=O)[O-])=C3N)C[C@H]2C1	REAL300005310260	0	45	0.0	-63.56	347.37	6.95	-56.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC([N+](=O)[O-])=C3N)C[C@H]2C1	REAL300005310260	1	45	0.0	-65.08	343.69	6.75	-58.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(C(F)(F)F)=C4)CC3)C[C@H]2C1	REAL300005310261	0	51	0.0	-71.48	402.37	10.99	-60.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC(C(F)(F)F)=C4)CC3)C[C@H]2C1	REAL300005310261	1	51	0.0	-62.95	399.00	11.12	-51.83
CC1=CC=CC=C1C1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005310262	0	50	0.0	-62.05	388.64	9.81	-52.24
CC1=CC=CC=C1C1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005310262	1	50	0.0	-59.87	392.90	10.24	-49.63
CC(C)C(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310263	0	56	0.0	-75.17	407.32	11.30	-63.87
CC(C)C(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310263	1	56	0.0	-65.47	406.40	11.49	-53.98
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300005310264	0	53	0.0	-77.10	393.46	8.47	-68.63
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300005310264	1	53	0.0	-66.37	389.29	8.53	-57.84
CCC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310265	0	53	0.0	-64.23	390.32	11.00	-53.23
CCC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310265	1	53	0.0	-66.41	391.58	10.86	-55.55
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(CC(C)C)=N1	REAL300005310266	0	52	0.0	-64.59	393.43	8.45	-56.14
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(CC(C)C)=N1	REAL300005310266	1	52	0.0	-66.49	393.49	8.48	-58.01
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1CC1CC1	REAL300005310267	0	55	0.0	-66.78	405.45	11.07	-55.71
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1CC1CC1	REAL300005310267	1	55	0.0	-68.39	405.37	10.95	-57.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005310268	0	47	0.0	-56.39	370.09	7.49	-48.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005310268	1	47	0.0	-66.12	370.39	7.37	-58.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(=O)NCCCC3=CC=CC=C3)C[C@H]2C1	REAL300005310269	0	54	0.0	-51.22	417.01	8.34	-42.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(=O)NCCCC3=CC=CC=C3)C[C@H]2C1	REAL300005310269	1	54	0.0	-64.35	416.68	8.19	-56.16
CCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005310270	0	52	0.0	-67.77	389.64	8.08	-59.69
CCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005310270	1	52	0.0	-74.63	388.73	8.12	-66.51
CN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005310271	0	51	0.0	-64.77	388.79	9.24	-55.53
CN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005310271	1	51	0.0	-84.30	388.67	9.28	-75.02
CC(C)C1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310272	0	54	0.0	-65.41	404.81	11.50	-53.91
CC(C)C1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310272	1	54	0.0	-64.51	406.97	11.42	-53.09
CC1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005310273	0	51	0.0	-64.38	388.90	10.40	-53.98
CC1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005310273	1	51	0.0	-68.11	388.11	10.32	-57.79
CCCC1=C(C)SC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310274	0	50	0.0	-64.10	381.05	9.76	-54.34
CCCC1=C(C)SC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310274	1	50	0.0	-70.24	382.18	9.82	-60.42
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310275	0	51	0.0	-64.06	391.58	8.93	-55.13
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310275	1	51	0.0	-67.74	391.50	8.95	-58.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Br)S3)C[C@H]2C1	REAL300005310276	0	42	0.0	-62.32	356.46	9.39	-52.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Br)S3)C[C@H]2C1	REAL300005310276	1	42	0.0	-62.90	358.58	9.31	-53.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4N3)C[C@H]2C1	REAL300005310277	0	45	0.0	-61.44	341.29	8.46	-52.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4N3)C[C@H]2C1	REAL300005310277	1	45	0.0	-67.50	341.72	8.35	-59.15
CC1=C(C)SC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310278	0	44	0.0	-60.78	340.12	8.36	-52.42
CC1=C(C)SC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310278	1	44	0.0	-59.39	341.61	8.43	-50.96
CC1=CC(NC(=O)CSCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005310279	0	51	0.0	-86.44	412.05	7.94	-78.50
CC1=CC(NC(=O)CSCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005310279	1	51	0.0	-76.56	411.91	7.87	-68.69
CCC1=C(C)SC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310280	0	47	0.0	-64.07	359.55	8.98	-55.09
CCC1=C(C)SC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310280	1	47	0.0	-67.22	360.40	9.04	-58.18
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310281	0	50	0.0	-68.05	391.10	3.34	-64.71
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310281	1	50	0.0	-72.93	394.50	2.91	-70.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(COC4=CC=CC=C4)O3)C[C@H]2C1	REAL300005310282	0	52	0.0	-59.73	404.10	9.82	-49.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(COC4=CC=CC=C4)O3)C[C@H]2C1	REAL300005310282	1	52	0.0	-66.63	402.92	9.66	-56.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3S(C)(=O)=O)C[C@H]2C1	REAL300005310284	0	49	0.0	-83.93	376.03	5.07	-78.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3S(C)(=O)=O)C[C@H]2C1	REAL300005310284	1	49	0.0	-84.40	369.37	5.41	-78.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005310285	0	45	0.0	-67.24	361.44	9.55	-57.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005310285	1	45	0.0	-70.13	364.64	9.49	-60.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CCCC4)C=C3)C[C@H]2C1	REAL300005310286	0	55	0.0	-70.05	404.61	10.27	-59.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CCCC4)C=C3)C[C@H]2C1	REAL300005310286	1	55	0.0	-60.45	401.66	10.07	-50.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)(F)F)C=C3)C[C@H]2C1	REAL300005310287	0	48	0.0	-74.08	380.17	8.70	-65.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)(F)F)C=C3)C[C@H]2C1	REAL300005310287	1	48	0.0	-71.85	374.66	8.41	-63.44
CCCOC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310288	0	51	0.0	-82.86	381.46	8.98	-73.88
CCCOC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310288	1	51	0.0	-78.28	381.26	9.05	-69.23
CC(SCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310289	0	51	0.0	-75.41	397.55	10.93	-64.48
CC(SCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310289	1	51	0.0	-71.52	396.93	10.80	-60.72
CC(C)C1=CC=C(SCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310290	0	54	0.0	-75.73	416.66	11.51	-64.22
CC(C)C1=CC=C(SCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310290	1	54	0.0	-65.97	416.43	11.41	-54.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005310291	0	48	0.0	-71.21	384.89	10.06	-61.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005310291	1	48	0.0	-73.49	384.09	10.00	-63.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005310292	0	45	0.0	-71.13	360.05	9.15	-61.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005310292	1	45	0.0	-72.32	359.27	9.07	-63.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CC=CC3=O)C[C@H]2C1	REAL300005310293	0	47	0.0	-72.47	362.28	8.53	-63.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CC=CC3=O)C[C@H]2C1	REAL300005310293	1	47	0.0	-84.21	362.18	8.19	-76.02
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310294	0	60	0.0	-77.52	435.67	11.73	-65.79
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310294	1	60	0.0	-71.21	435.52	11.59	-59.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(Br)=C3)C[C@H]2C1	REAL300005310295	0	38	0.0	-71.28	312.44	6.76	-64.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(Br)=C3)C[C@H]2C1	REAL300005310295	1	38	0.0	-72.96	312.11	6.84	-66.12
CC(C)CC1=NNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310296	0	50	0.0	-57.17	369.46	8.14	-49.03
CC(C)CC1=NNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310296	1	50	0.0	-69.14	369.85	7.80	-61.34
CC(C)CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005310296	1	50	0.0	-59.07	376.42	7.65	-51.42
CC(C)CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005310296	1	50	0.0	-67.91	376.84	7.51	-60.40
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1N1C=NN=N1	REAL300005310297	0	49	0.0	-87.82	376.23	9.07	-78.75
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1N1C=NN=N1	REAL300005310297	1	49	0.0	-76.15	371.07	8.73	-67.42
CC1=CC(OC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300005310298	0	51	0.0	-76.33	394.93	10.51	-65.82
CC1=CC(OC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300005310298	1	51	0.0	-68.81	391.65	10.28	-58.53
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1CC1=CC=CC=C1	REAL300005310299	0	54	0.0	-65.35	409.65	10.10	-55.25
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1CC1=CC=CC=C1	REAL300005310299	1	54	0.0	-68.50	409.07	9.96	-58.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=CC=C3)N3C=CC=N3)C[C@H]2C1	REAL300005310300	0	51	0.0	-60.96	390.62	9.62	-51.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=CC=C3)N3C=CC=N3)C[C@H]2C1	REAL300005310300	1	51	0.0	-64.53	383.45	9.84	-54.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=C3CCCCC3)C[C@H]2C1	REAL300005310301	0	48	0.0	-63.84	347.36	9.20	-54.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=C3CCCCC3)C[C@H]2C1	REAL300005310301	1	48	0.0	-62.98	347.62	9.11	-53.87
COC1=CC=CC(Cl)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310302	0	45	0.0	-61.76	361.96	8.06	-53.70
COC1=CC=CC(Cl)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310302	1	45	0.0	-69.97	362.35	7.97	-62.00
CC1=CNC(=O)N1C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310303	0	52	0.0	-67.46	403.56	8.85	-58.61
CC1=CNC(=O)N1C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310303	1	52	0.0	-72.04	399.27	8.64	-63.40
CC1=CC=C2OC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005310304	0	47	0.0	-56.66	362.58	9.51	-47.15
CC1=CC=C2OC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005310304	1	47	0.0	-67.33	359.44	9.30	-58.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC(F)=CC=C3F)C[C@H]2C1	REAL300005310305	0	47	0.0	-71.40	370.17	9.98	-61.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC(F)=CC=C3F)C[C@H]2C1	REAL300005310305	1	47	0.0	-68.07	370.36	10.03	-58.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=C([N+](=O)[O-])C=N3)C[C@H]2C1	REAL300005310306	0	46	0.0	-71.28	369.35	7.77	-63.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=C([N+](=O)[O-])C=N3)C[C@H]2C1	REAL300005310306	1	46	0.0	-68.19	369.55	7.81	-60.38
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COCCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005310308	0	55	0.0	-52.51	416.32	9.68	-42.83
COCCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005310308	1	55	0.0	-81.73	419.50	9.70	-72.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C3=CC=CC=C3)C[C@H]2C1	REAL300005310309	0	53	0.0	-61.11	380.47	10.77	-50.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C3=CC=CC=C3)C[C@H]2C1	REAL300005310309	1	53	0.0	-67.38	382.38	10.68	-56.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C(=O)C(C)(C)C)C[C@H]2C1	REAL300005310310	0	57	0.0	-65.14	404.24	9.28	-55.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C(=O)C(C)(C)C)C[C@H]2C1	REAL300005310310	1	57	0.0	-84.34	400.69	8.86	-75.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSC4(C)CCC(=O)N34)C[C@H]2C1	REAL300005310311	0	50	0.0	-68.92	381.99	7.72	-61.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSC4(C)CCC(=O)N34)C[C@H]2C1	REAL300005310311	1	50	0.0	-69.98	381.87	7.59	-62.39
CC(C)C(SCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310312	0	57	0.0	-75.63	426.76	12.32	-63.31
CC(C)C(SCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310312	1	57	0.0	-64.73	432.96	11.98	-52.75
CC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310313	0	43	0.0	-58.76	328.23	7.69	-51.07
CC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310313	1	43	0.0	-68.15	325.01	7.49	-60.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(=O)NC3CCCC3)C[C@H]2C1	REAL300005310314	0	54	0.0	-70.21	401.90	7.42	-62.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(=O)NC3CCCC3)C[C@H]2C1	REAL300005310314	1	54	0.0	-68.22	402.09	7.46	-60.76
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310315	0	44	0.0	-68.59	330.74	8.67	-59.92
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310315	1	44	0.0	-69.68	325.24	8.40	-61.28
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(O)=C1	REAL300005310316	0	45	0.0	-70.21	340.24	6.89	-63.32
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(O)=C1	REAL300005310316	1	45	0.0	-53.34	337.18	7.12	-46.22
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310317	0	50	0.0	-68.22	369.49	9.91	-58.31
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310317	1	50	0.0	-69.12	363.99	9.64	-59.48
CC1=CC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005310318	0	50	0.0	-61.60	375.53	10.00	-51.60
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3OCCC4=CC=CC=C43)C[C@H]2C1	REAL300005310319	0	49	0.0	-64.53	361.21	9.31	-55.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3OCCC4=CC=CC=C43)C[C@H]2C1	REAL300005310319	1	49	0.0	-63.19	358.70	9.25	-53.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)O3)C[C@H]2C1	REAL300005310320	0	38	0.0	-56.89	309.36	6.98	-49.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)O3)C[C@H]2C1	REAL300005310320	1	38	0.0	-64.36	308.19	6.83	-57.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Br)C(F)=C3)C[C@H]2C1	REAL300005310321	0	41	0.0	-65.74	334.13	8.58	-57.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Br)C(F)=C3)C[C@H]2C1	REAL300005310321	1	41	0.0	-63.32	334.32	8.47	-54.85
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Br)=C1	REAL300005310322	0	45	0.0	-58.36	358.45	8.28	-50.08
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Br)=C1	REAL300005310322	1	45	0.0	-77.07	357.64	7.94	-69.13
COC1=CC=C(C(C)(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005310323	0	58	0.0	-62.20	419.06	9.33	-52.87
COC1=CC=C(C(C)(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005310323	1	58	0.0	-67.15	415.09	9.00	-58.15
COC1=CC=CC=C1C(C)(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310324	0	54	0.0	-61.66	382.09	9.52	-52.14
COC1=CC=CC=C1C(C)(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310324	1	54	0.0	-68.43	382.52	9.42	-59.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC([N+](=O)[O-])=N3)C[C@H]2C1	REAL300005310325	0	43	0.0	-96.76	348.61	8.17	-88.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC([N+](=O)[O-])=N3)C[C@H]2C1	REAL300005310325	1	43	0.0	-87.04	348.47	8.10	-78.94
CCOCCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005310326	0	57	0.0	-59.28	401.37	8.94	-50.34
CCOCCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005310326	1	57	0.0	-68.43	402.25	8.61	-59.82
CC1=CC(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)S1	REAL300005310327	0	53	0.0	-65.97	409.68	11.44	-54.53
CC1=CC(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)S1	REAL300005310327	1	53	0.0	-71.50	409.57	11.10	-60.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCCC3)C[C@H]2C1	REAL300005310328	0	53	0.0	-72.47	368.95	9.73	-62.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCCC3)C[C@H]2C1	REAL300005310328	1	53	0.0	-68.67	368.53	9.77	-58.90
CC1=CC=C2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=C1	REAL300005310329	0	49	0.0	-61.26	380.14	10.90	-50.36
CC1=CC=C2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=C1	REAL300005310329	1	49	0.0	-64.36	381.90	10.47	-53.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N)C([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310330	0	45	0.0	-64.28	350.19	6.69	-57.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N)C([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310330	1	45	0.0	-84.18	346.86	6.76	-77.42
CN(C)S(=O)(=O)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1	REAL300005310331	0	52	0.0	-63.24	404.09	5.96	-57.28
CN(C)S(=O)(=O)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1	REAL300005310331	1	52	0.0	-76.58	403.17	5.82	-70.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC34CC5CC(CC(C5)C3)C4)C[C@H]2C1	REAL300005310332	0	58	0.0	-73.28	390.15	10.93	-62.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC34CC5CC(CC(C5)C3)C4)C[C@H]2C1	REAL300005310332	1	58	0.0	-66.19	393.06	10.92	-55.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC=C3)C[C@H]2C1	REAL300005310333	0	41	0.0	-73.62	326.77	8.00	-65.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC=C3)C[C@H]2C1	REAL300005310333	1	41	0.0	-66.37	323.94	8.13	-58.24
COC1=CC2=CC=CC=C2C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310334	0	51	0.0	-60.57	385.10	10.68	-49.89
COC1=CC2=CC=CC=C2C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310334	1	51	0.0	-80.24	384.29	10.59	-69.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C(C)(C)C)CC3)C[C@H]2C1	REAL300005310335	0	59	0.0	-60.24	398.26	10.22	-50.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C(C)(C)C)CC3)C[C@H]2C1	REAL300005310335	1	59	0.0	-66.14	394.68	10.27	-55.87
CC1=CC(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300005310336	0	54	0.0	-76.75	423.61	10.57	-66.18
CC1=CC(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300005310336	1	54	0.0	-72.27	423.80	10.62	-61.65
CC(C)C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005310337	0	53	0.0	-78.39	409.08	11.11	-67.28
CC(C)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005310337	1	53	0.0	-59.77	407.03	11.07	-48.70
CC(C)COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310338	0	54	0.0	-69.66	402.20	9.72	-59.94
CC(C)COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310338	1	54	0.0	-69.52	396.69	9.43	-60.09
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OCC(C)C	REAL300005310339	0	58	0.0	-67.27	431.24	9.56	-57.71
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OCC(C)C	REAL300005310339	1	58	0.0	-74.16	430.33	9.60	-64.56
CCCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310340	0	51	0.0	-69.67	382.09	9.04	-60.63
CCCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310340	1	51	0.0	-69.58	376.59	8.74	-60.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310341	0	58	0.0	-60.68	426.91	8.69	-51.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310341	1	58	0.0	-64.47	423.25	8.81	-55.66
CCC(OC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310342	0	51	0.0	-80.49	372.52	9.87	-70.62
CCC(OC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310342	1	51	0.0	-69.41	374.78	9.83	-59.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310343	0	51	0.0	-66.75	392.58	11.32	-55.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310343	1	51	0.0	-74.08	392.94	11.28	-62.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCCC3)C[C@H]2C1	REAL300005310344	0	54	0.0	-59.30	381.08	10.96	-48.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCCC3)C[C@H]2C1	REAL300005310344	1	54	0.0	-67.08	383.02	11.23	-55.85
CCC1=CC=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310345	0	51	0.0	-65.06	390.45	10.46	-54.60
CCC1=CC=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310345	1	51	0.0	-68.72	389.61	10.39	-58.33
CCOC1=CC=C2OC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005310346	0	54	0.0	-71.52	409.01	9.71	-61.81
CCOC1=CC=C2OC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005310346	1	54	0.0	-66.58	410.79	9.60	-56.98
CCC1=CC=C2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1	REAL300005310347	0	53	0.0	-76.84	407.38	10.87	-65.97
CCC1=CC=C2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1	REAL300005310347	1	53	0.0	-70.75	408.90	10.83	-59.92
CSC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310348	0	45	0.0	-68.73	348.87	9.05	-59.68
CSC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310348	1	45	0.0	-65.58	349.23	8.92	-56.66
CC(C)C1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310349	0	54	0.0	-78.72	405.48	11.00	-67.72
CC(C)C1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310349	1	54	0.0	-68.23	405.26	10.91	-57.32
CC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005310350	0	50	0.0	-75.98	373.69	10.22	-65.76
CC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005310350	1	50	0.0	-67.01	376.19	10.23	-56.78
CCCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OCC	REAL300005310351	0	58	0.0	-65.45	430.23	10.11	-55.34
CCCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OCC	REAL300005310351	1	58	0.0	-70.35	431.16	9.65	-60.70
CC1=CC=C(SCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005310352	0	51	0.0	-62.16	396.93	10.82	-51.34
CC1=CC=C(SCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005310352	1	51	0.0	-66.06	396.14	10.74	-55.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(C)(CC(C)(C5)C3)C4)C[C@H]2C1	REAL300005310353	0	61	0.0	-78.57	407.35	10.72	-67.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(C)(CC(C)(C5)C3)C4)C[C@H]2C1	REAL300005310353	1	61	0.0	-66.70	408.49	10.68	-56.02
CSC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005310354	0	47	0.0	-89.35	373.56	9.51	-79.84
CSC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005310354	1	47	0.0	-65.16	371.43	9.36	-55.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005310355	0	48	0.0	-77.95	388.78	10.56	-67.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005310355	1	48	0.0	-71.77	389.82	10.51	-61.26
COC1=CC(OC)=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005310356	0	53	0.0	-67.85	400.38	7.02	-60.83
COC1=CC(OC)=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005310356	1	53	0.0	-68.39	400.72	6.94	-61.45
CC1=C2C(=CC=C1)SC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)=C2Cl	REAL300005310357	0	47	0.0	-62.15	374.06	10.34	-51.81
CC1=C2C(=CC=C1)SC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)=C2Cl	REAL300005310357	1	47	0.0	-67.70	373.70	10.34	-57.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310358	0	61	0.0	-80.45	430.93	9.72	-70.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310358	1	61	0.0	-79.84	436.22	9.70	-70.14
CC(NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310359	0	54	0.0	-57.12	398.75	6.18	-50.94
CC(NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310359	1	54	0.0	-64.44	396.96	5.68	-58.76
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310360	0	60	0.0	-72.29	425.95	7.15	-65.14
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310360	1	60	0.0	-59.89	426.84	7.02	-52.87
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310361	0	63	0.0	-71.99	449.40	8.37	-63.62
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310361	1	63	0.0	-69.23	449.39	8.29	-60.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310362	0	51	0.0	-62.11	380.15	5.20	-56.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310362	1	51	0.0	-63.59	382.24	5.13	-58.46
CCCC(CCC)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310363	0	52	0.0	-63.19	377.48	9.74	-53.45
CCCC(CCC)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310363	1	52	0.0	-65.51	374.19	9.54	-55.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005310364	0	47	0.0	-56.69	367.53	9.75	-46.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005310364	1	47	0.0	-61.86	366.83	9.69	-52.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(Br)=C3)C[C@H]2C1	REAL300005310365	0	44	0.0	-65.79	359.76	9.70	-56.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(Br)=C3)C[C@H]2C1	REAL300005310365	1	44	0.0	-67.70	355.49	9.79	-57.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C(C)(C)C3(C)C)C[C@H]2C1	REAL300005310366	0	50	0.0	-71.09	351.66	8.68	-62.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C(C)(C)C3(C)C)C[C@H]2C1	REAL300005310366	1	50	0.0	-60.34	355.89	9.04	-51.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CC=C43)C[C@H]2C1	REAL300005310367	0	45	0.0	-61.21	343.15	9.60	-51.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CC=C43)C[C@H]2C1	REAL300005310367	1	45	0.0	-62.38	340.35	9.54	-52.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC4=CC=CC=C34)C[C@H]2C1	REAL300005310368	0	47	0.0	-75.71	372.86	10.42	-65.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC4=CC=CC=C34)C[C@H]2C1	REAL300005310368	1	47	0.0	-70.67	374.41	10.37	-60.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310369	0	57	0.0	-48.45	404.89	6.92	-41.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310369	1	57	0.0	-53.20	405.87	6.69	-46.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCCC3)C[C@H]2C1	REAL300005310370	0	50	0.0	-72.91	344.75	8.78	-64.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCCC3)C[C@H]2C1	REAL300005310370	1	50	0.0	-66.31	350.57	8.83	-57.48
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(=O)OC(C)(C)C	REAL300005310371	0	54	0.0	-72.80	401.17	8.10	-64.70
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(=O)OC(C)(C)C	REAL300005310371	1	54	0.0	-76.03	403.11	8.00	-68.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(F)(F)F)C[C@H]2C1	REAL300005310372	0	40	0.0	-60.14	316.64	7.63	-52.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(F)(F)F)C[C@H]2C1	REAL300005310372	1	40	0.0	-66.52	316.60	7.30	-59.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=CC4=CC=C3)C[C@H]2C1	REAL300005310373	0	45	0.0	-70.04	339.60	8.04	-62.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=CC4=CC=C3)C[C@H]2C1	REAL300005310373	1	45	0.0	-67.39	339.70	7.90	-59.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4OCOC4=C3)C[C@H]2C1	REAL300005310374	0	47	0.0	-79.33	362.86	7.73	-71.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4OCOC4=C3)C[C@H]2C1	REAL300005310374	1	47	0.0	-68.65	360.12	7.81	-60.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCCC4=C3)C[C@H]2C1	REAL300005310375	0	46	0.0	-62.27	342.31	8.11	-54.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCCC4=C3)C[C@H]2C1	REAL300005310375	1	46	0.0	-75.51	344.11	7.83	-67.68
COC1=C(OC)C=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005310376	0	53	0.0	-68.06	399.83	7.63	-60.43
COC1=C(OC)C=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005310376	1	53	0.0	-69.50	400.38	7.56	-61.94
CC1=CC=CC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310377	0	47	0.0	-61.28	356.99	9.36	-51.92
CC1=CC=CC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310377	1	47	0.0	-69.54	352.50	9.13	-60.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(Br)C=C3)C[C@H]2C1	REAL300005310378	0	47	0.0	-61.69	379.73	10.90	-50.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(Br)C=C3)C[C@H]2C1	REAL300005310378	1	47	0.0	-67.96	379.68	10.55	-57.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@H]2C1	REAL300005310379	0	63	0.0	-57.48	439.75	8.05	-49.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@H]2C1	REAL300005310379	1	63	0.0	-60.28	437.97	7.49	-52.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(NC(=O)OC(C)(C)C)CCCC3)C[C@H]2C1	REAL300005310380	0	61	0.0	-65.09	432.81	8.46	-56.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(NC(=O)OC(C)(C)C)CCCC3)C[C@H]2C1	REAL300005310380	1	61	0.0	-66.33	434.34	8.22	-58.11
CC(C)C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310381	0	53	0.0	-60.26	392.98	10.64	-49.62
CC(C)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310381	1	53	0.0	-60.54	390.31	10.55	-49.99
COC1=CC=CC(F)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310382	0	45	0.0	-63.43	352.47	7.68	-55.75
COC1=CC=CC(F)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310382	1	45	0.0	-72.96	352.85	7.59	-65.37
CC(OC1=CC=CC=C1F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310383	0	48	0.0	-73.33	365.12	9.78	-63.55
CC(OC1=CC=CC=C1F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310383	1	48	0.0	-77.66	362.14	9.28	-68.38
CC(C)SCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310384	0	44	0.0	-66.94	338.57	8.10	-58.84
CC(C)SCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310384	1	44	0.0	-66.48	340.59	8.02	-58.46
CCCCSCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310385	0	47	0.0	-62.73	366.09	9.02	-53.71
CCCCSCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310385	1	47	0.0	-69.61	366.50	8.99	-60.62
CC(C)SC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310386	0	51	0.0	-69.44	386.91	10.39	-59.05
CC(C)SC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310386	1	51	0.0	-69.12	381.24	10.08	-59.04
CCC(OC1CCCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310387	0	57	0.0	-75.48	410.19	10.37	-65.11
CCC(OC1CCCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310387	1	57	0.0	-65.77	399.57	10.19	-55.58
CC1=C(C2CC2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005310388	0	48	0.0	-64.03	374.37	10.10	-53.93
CC1=C(C2CC2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005310388	1	48	0.0	-65.15	377.12	10.06	-55.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(CS(C)(=O)=O)CC3)C[C@H]2C1	REAL300005310389	0	50	0.0	-62.97	387.27	6.11	-56.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(CS(C)(=O)=O)CC3)C[C@H]2C1	REAL300005310389	1	50	0.0	-72.01	384.39	5.65	-66.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(=O)C4=CNC=C4)C=C3)C[C@H]2C1	REAL300005310390	0	51	0.0	-68.94	391.83	9.21	-59.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(=O)C4=CNC=C4)C=C3)C[C@H]2C1	REAL300005310390	1	51	0.0	-71.32	386.35	8.92	-62.40
CC1=CC=C(F)C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310391	0	48	0.0	-84.15	374.50	9.76	-74.39
CC1=CC=C(F)C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310391	1	48	0.0	-72.61	374.35	9.68	-62.93
CC1=NN(C)C(C)=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310392	0	51	0.0	-67.91	396.37	8.00	-59.91
CC1=NN(C)C(C)=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310392	1	51	0.0	-72.20	394.65	7.91	-64.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CSCC3=CC=CO3)C[C@H]2C1	REAL300005310393	0	46	0.0	-63.73	372.41	9.02	-54.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CSCC3=CC=CO3)C[C@H]2C1	REAL300005310393	1	46	0.0	-64.75	374.55	8.94	-55.81
COC1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005310394	0	52	0.0	-71.78	394.26	9.07	-62.71
COC1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005310394	1	52	0.0	-69.86	396.28	8.99	-60.87
CCC(CC)N1N=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310395	0	53	0.0	-73.95	387.93	8.88	-65.07
CCC(CC)N1N=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310395	1	53	0.0	-70.28	387.75	8.85	-61.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(CC3Br)C4)C[C@H]2C1	REAL300005310396	0	48	0.0	-64.45	353.90	9.00	-55.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(CC3Br)C4)C[C@H]2C1	REAL300005310396	1	48	0.0	-66.94	355.35	9.02	-57.92
CC(C)COC1=CC=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310397	0	58	0.0	-68.18	440.49	10.74	-57.44
CC(C)COC1=CC=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310397	1	58	0.0	-74.97	440.86	10.70	-64.27
CN(C)S(=O)(=O)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005310398	0	49	0.0	-72.02	388.60	4.11	-67.91
CN(C)S(=O)(=O)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005310398	1	49	0.0	-75.33	388.21	4.07	-71.26
CSCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310399	0	48	0.0	-69.22	375.45	9.88	-59.34
CSCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310399	1	48	0.0	-68.80	369.96	9.61	-59.19
CC1=NN(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005310400	0	46	0.0	-81.24	370.57	7.28	-73.96
CC1=NN(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005310400	1	46	0.0	-81.36	370.62	7.34	-74.02
CCS(=O)(=O)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310401	0	43	0.0	-82.01	340.01	4.39	-77.62
CCS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310401	1	43	0.0	-86.33	339.97	4.03	-82.30
CC1=NN(C2=CC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1	REAL300005310402	0	51	0.0	-58.17	387.48	9.72	-48.45
CC1=NN(C2=CC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1	REAL300005310402	1	51	0.0	-78.26	387.91	9.60	-68.66
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310403	0	54	0.0	-55.90	398.56	5.80	-50.10
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310403	1	54	0.0	-64.43	396.96	5.68	-58.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310404	0	61	0.0	-76.74	434.19	9.81	-66.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310404	1	61	0.0	-63.95	432.30	9.92	-54.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310405	0	58	0.0	-75.59	426.03	8.64	-66.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310405	1	58	0.0	-85.02	425.39	8.55	-76.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310406	0	61	0.0	-71.88	436.27	9.84	-62.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310406	1	61	0.0	-78.82	432.46	9.64	-69.18
COC1=CC=CC(C(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310407	0	51	0.0	-46.85	380.20	9.13	-37.72
COC1=CC=CC(C(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310407	1	51	0.0	-65.17	375.33	8.70	-56.47
CC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005310408	0	58	0.0	-77.60	397.06	9.07	-68.53
CC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005310408	1	58	0.0	-70.74	395.72	8.89	-61.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310409	0	61	0.0	-52.43	441.97	9.08	-43.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310409	1	61	0.0	-71.49	443.73	9.18	-62.31
CC(C)CCOCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310410	0	50	0.0	-63.98	373.75	8.57	-55.41
CC(C)CCOCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310410	1	50	0.0	-67.70	372.93	8.50	-59.20
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310411	0	46	0.0	-83.69	369.51	9.55	-74.14
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310411	1	46	0.0	-80.49	369.85	9.51	-70.98
CC1CCCCC1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310412	0	53	0.0	-74.17	372.27	9.79	-64.38
CC1CCCCC1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310412	1	53	0.0	-61.37	366.86	9.56	-51.81
CCOC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310413	0	51	0.0	-77.77	384.23	9.85	-67.92
CCOC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310413	1	51	0.0	-64.94	383.79	9.68	-55.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=NN3C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005310414	0	47	0.0	-59.27	374.07	8.69	-50.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=NN3C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005310414	1	47	0.0	-67.35	375.53	8.21	-59.14
CC(=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005310415	0	51	0.0	-62.68	403.14	11.36	-51.32
CC(=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005310415	1	51	0.0	-63.74	405.32	11.30	-52.44
CC1=CC=CC(F)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310416	0	44	0.0	-59.36	342.76	8.87	-50.49
CC1=CC=CC(F)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310416	1	44	0.0	-73.90	343.05	8.78	-65.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCS(C)(=O)=O)C[C@H]2C1	REAL300005310417	0	46	0.0	-89.43	361.92	4.41	-85.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCS(C)(=O)=O)C[C@H]2C1	REAL300005310417	1	46	0.0	-84.52	362.10	4.45	-80.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4COCC4=C3)C[C@H]2C1	REAL300005310418	0	46	0.0	-66.36	343.16	7.23	-59.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4COCC4=C3)C[C@H]2C1	REAL300005310418	1	46	0.0	-69.24	343.58	7.13	-62.11
CC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCC1	REAL300005310419	0	60	0.0	-77.02	404.61	11.43	-65.59
CC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCC1	REAL300005310419	1	60	0.0	-71.11	404.45	11.28	-59.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=NN=C4)C=C3)C[C@H]2C1	REAL300005310420	0	47	0.0	-77.50	360.11	10.96	-66.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=NN=C4)C=C3)C[C@H]2C1	REAL300005310420	1	47	0.0	-74.82	354.60	10.66	-64.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=C(Cl)C=N4)O3)C[C@H]2C1	REAL300005310421	0	48	0.0	-65.33	393.68	8.73	-56.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=C(Cl)C=N4)O3)C[C@H]2C1	REAL300005310421	1	48	0.0	-67.78	396.04	8.66	-59.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310422	0	56	0.0	-61.12	420.81	8.92	-52.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310422	1	56	0.0	-81.16	419.58	8.92	-72.24
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=C(Cl)C=CC=C1Cl	REAL300005310423	0	47	0.0	-58.10	372.20	10.01	-48.09
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=C(Cl)C=CC=C1Cl	REAL300005310423	1	47	0.0	-63.84	370.68	9.92	-53.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C[C@H]2C1	REAL300005310424	0	63	0.0	-53.53	443.32	7.92	-45.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C[C@H]2C1	REAL300005310424	1	63	0.0	-59.70	442.48	7.74	-51.96
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CCCCC2)=N1	REAL300005310425	0	57	0.0	-69.10	413.16	9.57	-59.53
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CCCCC2)=N1	REAL300005310425	1	57	0.0	-71.79	413.59	9.44	-62.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC([N+](=O)[O-])=CC4=C3OCCO4)C[C@H]2C1	REAL300005310426	0	49	0.0	-66.95	381.48	8.80	-58.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC([N+](=O)[O-])=CC4=C3OCCO4)C[C@H]2C1	REAL300005310426	1	49	0.0	-68.76	383.25	8.59	-60.17
CN1C=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005310427	0	54	0.0	-75.97	412.54	11.65	-64.32
CN1C=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005310427	1	54	0.0	-73.65	412.73	11.70	-61.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C1	REAL300005310428	0	59	0.0	-70.86	447.51	8.06	-62.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C1	REAL300005310428	1	59	0.0	-80.49	446.71	7.99	-72.50
CCC(OC1=CC=CC=C1Cl)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310429	0	51	0.0	-84.30	389.26	10.45	-73.85
CCC(OC1=CC=CC=C1Cl)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310429	1	51	0.0	-70.25	390.81	10.37	-59.88
COC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005310430	0	48	0.0	-66.41	381.90	8.80	-57.61
COC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005310430	1	48	0.0	-69.87	381.17	8.73	-61.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C4CCCCC4=C3)C[C@H]2C1	REAL300005310431	0	55	0.0	-79.47	409.59	11.52	-67.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C4CCCCC4=C3)C[C@H]2C1	REAL300005310431	1	55	0.0	-72.64	410.63	11.47	-61.17
CC(CSC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310432	0	51	0.0	-72.53	397.03	10.69	-61.84
CC(CSC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310432	1	51	0.0	-65.44	397.39	10.64	-54.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4=CC=CC(F)=C4)N=N3)C[C@H]2C1	REAL300005310433	0	50	0.0	-57.53	398.81	8.78	-48.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4=CC=CC(F)=C4)N=N3)C[C@H]2C1	REAL300005310433	1	50	0.0	-68.72	399.25	8.67	-60.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC=C([N+](=O)[O-])C=C34)C[C@H]2C1	REAL300005310434	0	50	0.0	-71.47	395.63	9.77	-61.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC=C([N+](=O)[O-])C=C34)C[C@H]2C1	REAL300005310434	1	50	0.0	-64.85	396.64	9.76	-55.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCCC3=CC=CC=C34)C[C@H]2C1	REAL300005310435	0	55	0.0	-64.75	399.27	12.33	-52.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCCC3=CC=CC=C34)C[C@H]2C1	REAL300005310435	1	55	0.0	-69.52	394.80	11.81	-57.71
CCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005310436	0	50	0.0	-63.40	345.89	8.88	-54.52
CCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005310436	1	50	0.0	-63.33	346.82	8.50	-54.83
CC(C)CN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C(F)F	REAL300005310437	0	53	0.0	-63.50	399.89	8.81	-54.69
CC(C)CN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C(F)F	REAL300005310437	1	53	0.0	-69.76	388.66	8.34	-61.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN(C4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005310438	0	51	0.0	-75.73	396.96	10.30	-65.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN(C4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005310438	1	51	0.0	-76.92	392.12	10.31	-66.61
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)S(=O)(=O)C1CCOCC1	REAL300005310439	0	54	0.0	-82.80	401.68	5.02	-77.78
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)S(=O)(=O)C1CCOCC1	REAL300005310439	1	54	0.0	-77.09	405.36	5.03	-72.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4)CC4CCC3C4)C[C@H]2C1	REAL300005310440	0	61	0.0	-64.91	417.67	12.63	-52.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4)CC4CCC3C4)C[C@H]2C1	REAL300005310440	1	61	0.0	-70.86	417.56	12.52	-58.34
CN1C=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005310441	0	52	0.0	-72.78	399.41	11.34	-61.44
CN1C=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005310441	1	52	0.0	-70.43	401.57	11.28	-59.15
CCCN1N=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005310442	0	53	0.0	-69.65	404.04	8.74	-60.91
CCCN1N=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005310442	1	53	0.0	-66.92	401.61	8.59	-58.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(NC(=O)OC(C)(C)C)CCC3)C[C@H]2C1	REAL300005310443	0	61	0.0	-74.70	445.29	8.06	-66.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(NC(=O)OC(C)(C)C)CCC3)C[C@H]2C1	REAL300005310443	1	61	0.0	-68.67	441.78	8.10	-60.57
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC2=CC=CC=C2O1	REAL300005310444	0	50	0.0	-80.87	378.58	10.34	-70.53
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC2=CC=CC=C2O1	REAL300005310444	1	50	0.0	-73.67	380.24	10.34	-63.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(F)C=C3OC(F)F)C[C@H]2C1	REAL300005310445	0	45	0.0	-71.81	353.46	8.63	-63.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(F)C=C3OC(F)F)C[C@H]2C1	REAL300005310445	1	45	0.0	-62.13	355.38	8.60	-53.53
CC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005310446	0	57	0.0	-77.70	426.56	10.68	-67.02
CC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005310446	1	57	0.0	-73.35	426.75	10.72	-62.63
CC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005310447	0	44	0.0	-66.31	341.18	8.03	-58.28
CC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005310447	1	44	0.0	-70.19	340.47	7.98	-62.21
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310448	0	60	0.0	-65.80	430.51	8.75	-57.05
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310448	1	60	0.0	-70.65	432.34	8.55	-62.10
CCSC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310449	0	48	0.0	-54.68	384.15	10.48	-44.20
CCSC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310449	1	48	0.0	-65.01	387.60	10.31	-54.70
CC(C)C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCCS1(=O)=O	REAL300005310450	0	55	0.0	-66.18	397.57	5.44	-60.74
CC(C)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCCS1(=O)=O	REAL300005310450	1	55	0.0	-77.89	399.21	5.30	-72.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310451	0	60	0.0	-79.04	428.16	6.85	-72.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310451	1	60	0.0	-63.04	427.43	6.88	-56.16
CC1=CC=C2NC=C(CCC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005310452	0	54	0.0	-76.04	411.48	10.61	-65.43
CC1=CC=C2NC=C(CCC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005310452	1	54	0.0	-73.74	411.67	10.65	-63.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005310453	0	53	0.0	-70.21	396.36	10.67	-59.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005310453	1	53	0.0	-66.68	394.90	10.53	-56.15
CCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005310454	0	53	0.0	-64.36	410.56	11.15	-53.21
CCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005310454	1	53	0.0	-67.60	412.79	11.07	-56.53
COC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005310455	0	55	0.0	-66.51	409.99	8.70	-57.81
COC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005310455	1	55	0.0	-71.96	413.04	8.60	-63.36
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC(C)=CC=C1C	REAL300005310456	0	57	0.0	-56.28	424.91	11.15	-45.13
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC(C)=CC=C1C	REAL300005310456	1	57	0.0	-71.64	424.14	11.16	-60.48
CC(=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1OC(F)F	REAL300005310457	0	52	0.0	-63.83	403.52	10.01	-53.82
CC(=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1OC(F)F	REAL300005310457	1	52	0.0	-64.63	405.67	9.92	-54.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CSC4=CC=CC=C34)C[C@H]2C1	REAL300005310458	0	53	0.0	-77.49	416.05	12.01	-65.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CSC4=CC=CC=C34)C[C@H]2C1	REAL300005310458	1	53	0.0	-73.44	416.24	12.05	-61.39
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005310459	0	52	0.0	-65.84	408.42	5.05	-60.79
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005310459	1	52	0.0	-76.42	400.59	4.82	-71.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310460	0	57	0.0	-74.56	424.80	6.63	-67.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCNC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310460	1	57	0.0	-71.05	424.98	6.67	-64.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC([N+](=O)[O-])=CN3)C[C@H]2C1	REAL300005310461	0	41	0.0	-68.59	324.89	7.04	-61.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC([N+](=O)[O-])=CN3)C[C@H]2C1	REAL300005310461	1	41	0.0	-78.65	324.67	7.06	-71.59
COC1=CC=C(Cl)C=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310462	0	48	0.0	-73.94	381.87	8.94	-65.00
COC1=CC=C(Cl)C=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310462	1	48	0.0	-66.33	379.09	9.01	-57.32
CCCCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310463	0	53	0.0	-68.48	395.22	10.99	-57.49
CCCCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310463	1	53	0.0	-69.00	389.72	10.72	-58.28
CC(C)C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005310464	0	53	0.0	-69.68	407.79	11.13	-58.55
CC(C)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005310464	1	53	0.0	-65.53	407.68	11.13	-54.40
CC1=CC=C(C2=NN(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)C=C1	REAL300005310465	0	52	0.0	-70.08	411.71	8.74	-61.34
CC1=CC=C(C2=NN(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)C=C1	REAL300005310465	1	52	0.0	-72.69	410.89	8.67	-64.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1	REAL300005310466	0	61	0.0	-54.80	442.19	9.21	-45.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1	REAL300005310466	1	61	0.0	-65.72	436.36	9.03	-56.69
CC(=O)C1=C(C)OC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310467	0	52	0.0	-72.27	404.52	9.44	-62.83
CC(=O)C1=C(C)OC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310467	1	52	0.0	-68.70	402.05	9.43	-59.27
CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005310468	0	51	0.0	-71.08	384.07	10.60	-60.48
CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005310468	1	51	0.0	-83.37	385.86	10.65	-72.72
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1CC(F)(F)F	REAL300005310469	0	51	0.0	-57.81	390.55	9.79	-48.02
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1CC(F)(F)F	REAL300005310469	1	51	0.0	-75.22	387.97	9.76	-65.46
CN1C=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310470	0	44	0.0	-71.02	343.85	8.22	-62.80
CN1C=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310470	1	44	0.0	-65.73	342.90	8.09	-57.64
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=C1OC(C)C2	REAL300005310471	0	53	0.0	-68.41	393.63	7.81	-60.60
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=C1OC(C)C2	REAL300005310471	1	53	0.0	-77.89	394.90	7.91	-69.98
CN1C=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310472	0	42	0.0	-68.48	331.27	8.02	-60.46
CN1C=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310472	1	42	0.0	-60.38	325.27	8.09	-52.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C#CC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005310473	0	53	0.0	-69.06	418.25	13.18	-55.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C#CC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005310473	1	53	0.0	-70.01	412.74	12.89	-57.12
CC1=CC=C(NC2=CC=CC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310474	0	56	0.0	-70.47	421.26	11.19	-59.28
CC1=CC=C(NC2=CC=CC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310474	1	56	0.0	-66.47	423.48	11.12	-55.35
CC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005310475	0	50	0.0	-62.38	393.90	11.38	-51.00
CC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005310475	1	50	0.0	-69.87	393.84	11.02	-58.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005310476	0	51	0.0	-66.24	402.19	11.38	-54.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005310476	1	51	0.0	-69.50	404.20	11.33	-58.17
CC(C)C1CCC(C)CC1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310477	0	63	0.0	-67.57	436.92	11.72	-55.85
CC(C)C1CCC(C)CC1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310477	1	63	0.0	-67.81	447.96	11.53	-56.28
CCC(C)C1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310478	0	57	0.0	-78.79	423.93	11.66	-67.13
CCC(C)C1=CC=CC=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310478	1	57	0.0	-68.36	423.67	11.57	-56.79
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1	REAL300005310479	0	47	0.0	-65.85	364.81	7.88	-57.97
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1	REAL300005310479	1	47	0.0	-75.69	365.90	7.94	-67.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSC4=CC=CC=C43)C[C@H]2C1	REAL300005310480	0	46	0.0	-53.48	360.59	9.73	-43.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSC4=CC=CC=C43)C[C@H]2C1	REAL300005310480	1	46	0.0	-67.06	353.99	9.53	-57.53
CCC1=CC=C(C(C)CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310481	0	56	0.0	-64.66	413.43	11.78	-52.88
CCC1=CC=C(C(C)CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310481	1	56	0.0	-63.16	415.58	11.71	-51.45
CCC(OC1=CC=CC=C1C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310482	0	54	0.0	-79.85	391.82	10.56	-69.29
CCC(OC1=CC=CC=C1C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310482	1	54	0.0	-66.05	390.33	10.69	-55.36
CSCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310483	0	48	0.0	-65.96	378.55	9.83	-56.13
CSCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310483	1	48	0.0	-67.15	378.73	9.71	-57.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310484	0	60	0.0	-75.59	427.82	6.95	-68.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310484	1	60	0.0	-71.43	427.98	7.01	-64.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C1	REAL300005310485	0	58	0.0	-70.67	432.12	8.84	-61.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C1	REAL300005310485	1	58	0.0	-73.46	432.07	8.50	-64.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4)CCC3)C[C@H]2C1	REAL300005310486	0	54	0.0	-67.44	391.88	10.93	-56.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4)CCC3)C[C@H]2C1	REAL300005310486	1	54	0.0	-70.03	394.09	10.95	-59.08
CCC1=NOC(CC)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310487	0	52	0.0	-69.78	396.92	9.70	-60.08
CCC1=NOC(CC)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310487	1	52	0.0	-70.39	393.84	9.47	-60.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005310488	0	51	0.0	-74.58	388.66	10.94	-63.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005310488	1	51	0.0	-68.79	387.72	10.79	-58.00
COC1=CC=CC(OC)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310489	0	52	0.0	-76.11	393.11	7.81	-68.30
COC1=CC=CC(OC)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310489	1	52	0.0	-67.99	390.53	7.93	-60.06
CC(C)CC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310490	0	53	0.0	-76.00	368.87	9.38	-66.62
CC(C)CC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310490	1	53	0.0	-66.03	366.68	9.27	-56.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3SC3=CC=CC=C3)C[C@H]2C1	REAL300005310491	0	52	0.0	-55.91	405.65	12.04	-43.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3SC3=CC=CC=C3)C[C@H]2C1	REAL300005310491	1	52	0.0	-64.46	408.48	12.00	-52.46
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005310492	0	47	0.0	-45.13	367.44	10.35	-34.78
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005310492	1	47	0.0	-63.59	362.57	9.92	-53.67
CCC(OC1CCCC(C)C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310493	0	60	0.0	-74.37	425.79	10.97	-63.40
CCC(OC1CCCC(C)C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310493	1	60	0.0	-68.96	425.38	10.67	-58.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN(C4=CC=C(F)C=C4)C=C3)C[C@H]2C1	REAL300005310494	0	51	0.0	-85.08	401.05	10.30	-74.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN(C4=CC=C(F)C=C4)C=C3)C[C@H]2C1	REAL300005310494	1	51	0.0	-76.52	402.23	10.26	-66.26
COC1=CC=C(C(C)CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310495	0	54	0.0	-66.73	400.02	9.63	-57.10
COC1=CC=C(C(C)CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310495	1	54	0.0	-67.58	402.19	9.56	-58.02
COC1=CC=C(CC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310496	0	54	0.0	-64.98	397.36	9.34	-55.64
COC1=CC=C(CC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310496	1	54	0.0	-65.63	399.52	9.29	-56.34
COC1=CC=C(C(C)(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310497	0	54	0.0	-72.13	387.45	9.12	-63.01
COC1=CC=C(C(C)(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310497	1	54	0.0	-69.06	384.83	9.25	-59.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(C)(C)C)C=C3)C[C@H]2C1	REAL300005310498	0	54	0.0	-70.63	390.16	9.16	-61.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(C)(C)C)C=C3)C[C@H]2C1	REAL300005310498	1	54	0.0	-69.89	384.65	8.87	-61.02
CCCC(O)(CCC)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310499	0	56	0.0	-75.15	397.78	8.05	-67.10
CCCC(O)(CCC)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310499	1	56	0.0	-71.93	397.90	8.09	-63.84
COC1=CC=CC(C(C)CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310500	0	54	0.0	-60.26	402.84	9.60	-50.66
COC1=CC=CC(C(C)CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310500	1	54	0.0	-71.72	398.98	9.44	-62.28
COCCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005310501	0	54	0.0	-60.78	382.20	7.67	-53.11
COCCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005310501	1	54	0.0	-62.12	381.63	7.59	-54.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4C=CN=N4)=C3)C[C@H]2C1	REAL300005310502	0	47	0.0	-77.95	360.88	7.86	-70.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4C=CN=N4)=C3)C[C@H]2C1	REAL300005310502	1	47	0.0	-91.17	360.77	7.92	-83.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCOCC4)C[C@H]2C1	REAL300005310503	0	49	0.0	-61.39	357.23	7.79	-53.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCOCC4)C[C@H]2C1	REAL300005310503	1	49	0.0	-66.30	356.14	7.18	-59.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCSCC3)C[C@H]2C1	REAL300005310504	0	48	0.0	-63.85	356.78	9.42	-54.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCSCC3)C[C@H]2C1	REAL300005310504	1	48	0.0	-69.27	356.68	9.07	-60.20
CC1=CC=C(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310505	0	50	0.0	-75.66	391.81	10.55	-65.11
CC1=CC=C(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310505	1	50	0.0	-71.86	391.99	10.59	-61.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(O)C3=CC=CC(F)=C3)C[C@H]2C1	REAL300005310506	0	48	0.0	-64.78	373.34	7.66	-57.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(O)C3=CC=CC(F)=C3)C[C@H]2C1	REAL300005310506	1	48	0.0	-69.49	372.32	7.64	-61.85
CCC(OC1=CC=CC(C)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310507	0	54	0.0	-79.09	395.22	10.58	-68.51
CCC(OC1=CC=CC(C)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310507	1	54	0.0	-71.02	396.07	10.52	-60.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CN=N4)C=C3)C[C@H]2C1	REAL300005310508	0	47	0.0	-81.08	362.69	7.83	-73.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CN=N4)C=C3)C[C@H]2C1	REAL300005310508	1	47	0.0	-67.00	357.61	7.88	-59.12
COCCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310509	0	51	0.0	-73.80	369.02	7.13	-66.67
COCCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310509	1	51	0.0	-69.24	369.52	7.11	-62.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005310510	0	51	0.0	-75.46	408.21	6.54	-68.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005310510	1	51	0.0	-77.87	407.31	6.46	-71.41
CN(C)S(=O)(=O)C1=CNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310511	0	50	0.0	-84.23	392.21	4.25	-79.98
CN(C)S(=O)(=O)C1=CNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310511	1	50	0.0	-81.83	392.30	4.24	-77.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC=C3N3C=NN=N3)C[C@H]2C1	REAL300005310512	0	46	0.0	-65.54	373.78	8.95	-56.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC=C3N3C=NN=N3)C[C@H]2C1	REAL300005310512	1	46	0.0	-86.64	373.29	9.01	-77.63
CC(OC1=CC=C2CCCC2=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310513	0	55	0.0	-67.30	404.82	11.65	-55.65
CC(OC1=CC=C2CCCC2=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310513	1	55	0.0	-70.86	401.74	11.08	-59.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC5=C(CCCCC5)C4=C3)C[C@H]2C1	REAL300005310514	0	58	0.0	-61.66	415.27	11.17	-50.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC5=C(CCCCC5)C4=C3)C[C@H]2C1	REAL300005310514	1	58	0.0	-69.58	416.16	10.70	-58.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(Cl)C(Cl)=CC=C4N3)C[C@H]2C1	REAL300005310515	0	45	0.0	-63.81	372.38	9.74	-54.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(Cl)C(Cl)=CC=C4N3)C[C@H]2C1	REAL300005310515	1	45	0.0	-68.73	373.46	9.31	-59.42
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C(C)(C)C	REAL300005310516	0	53	0.0	-64.75	380.54	8.01	-56.74
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C(C)(C)C	REAL300005310516	1	53	0.0	-67.42	380.68	7.87	-59.55
CC(SC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310517	0	48	0.0	-61.67	376.81	10.53	-51.14
CC(SC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310517	1	48	0.0	-66.77	369.05	10.03	-56.74
CNC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005310518	0	48	0.0	-63.82	370.05	7.68	-56.14
CNC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005310518	1	48	0.0	-83.50	368.27	7.70	-75.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C1	REAL300005310519	0	46	0.0	-76.15	358.21	3.86	-72.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C1	REAL300005310519	1	46	0.0	-72.17	357.27	3.71	-68.46
CC1=C(C)OC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310520	0	44	0.0	-58.69	337.30	7.93	-50.76
CC1=C(C)OC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310520	1	44	0.0	-67.16	336.23	7.74	-59.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC(Br)=CS3)C[C@H]2C1	REAL300005310521	0	42	0.0	-59.24	358.82	9.26	-49.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC(Br)=CS3)C[C@H]2C1	REAL300005310521	1	42	0.0	-63.97	358.42	9.21	-54.76
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(S(=O)(=O)N(C)C)O1	REAL300005310522	0	52	0.0	-74.31	404.88	4.87	-69.44
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(S(=O)(=O)N(C)C)O1	REAL300005310522	1	52	0.0	-70.68	406.30	4.89	-65.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C[C@H]2C1	REAL300005310523	0	55	0.0	-81.70	405.32	6.58	-75.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C[C@H]2C1	REAL300005310523	1	55	0.0	-65.08	396.27	6.57	-58.51
CC1=NN(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Br	REAL300005310524	0	44	0.0	-73.16	360.79	7.14	-66.02
CC1=NN(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Br	REAL300005310524	1	44	0.0	-71.62	360.85	7.19	-64.43
CC1=CC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005310525	0	45	0.0	-56.67	335.66	7.55	-49.12
CC1=CC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005310525	1	45	0.0	-73.13	334.51	7.55	-65.58
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310526	0	52	0.0	-73.65	397.58	9.84	-63.81
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310526	1	52	0.0	-60.18	393.50	9.94	-50.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C([N+](=O)[O-])C=N3)C[C@H]2C1	REAL300005310527	0	43	0.0	-78.49	347.69	7.52	-70.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C([N+](=O)[O-])C=N3)C[C@H]2C1	REAL300005310527	1	43	0.0	-78.78	348.46	7.13	-71.65
CC1=NN(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)C=C1	REAL300005310528	0	51	0.0	-60.09	390.28	9.77	-50.32
CC1=NN(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)C=C1	REAL300005310528	1	51	0.0	-81.53	388.83	9.78	-71.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)N(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310529	0	55	0.0	-55.47	416.23	10.88	-44.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)N(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310529	1	55	0.0	-67.94	413.95	10.77	-57.17
CN1N=CC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310530	0	45	0.0	-67.56	347.11	7.20	-60.36
CN1N=CC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310530	1	45	0.0	-66.37	349.91	7.14	-59.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=C(Cl)C=C4)N=N3)C[C@H]2C1	REAL300005310531	0	47	0.0	-66.98	382.56	8.80	-58.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=C(Cl)C=C4)N=N3)C[C@H]2C1	REAL300005310531	1	47	0.0	-64.88	384.31	8.65	-56.23
COC1=CC=C2OCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005310532	0	51	0.0	-58.15	393.65	8.03	-50.12
COC1=CC=C2OCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005310532	1	51	0.0	-61.47	391.28	7.96	-53.51
COC1=CC=C(N2N=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C)C=C1	REAL300005310533	0	54	0.0	-67.81	410.27	8.02	-59.79
COC1=CC=C(N2N=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C)C=C1	REAL300005310533	1	54	0.0	-66.12	412.09	7.88	-58.24
CC1=CC=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(Cl)C2=C1	REAL300005310534	0	48	0.0	-63.50	377.35	9.66	-53.84
CC1=CC=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(Cl)C2=C1	REAL300005310534	1	48	0.0	-69.28	374.21	9.46	-59.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Br)=CS3)C[C@H]2C1	REAL300005310535	0	38	0.0	-74.40	320.44	7.53	-66.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Br)=CS3)C[C@H]2C1	REAL300005310535	1	38	0.0	-67.19	317.64	7.53	-59.66
CC(C)C1=NN(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310536	0	50	0.0	-67.61	371.89	7.66	-59.95
CC(C)C1=NN(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310536	1	50	0.0	-77.23	371.48	7.66	-69.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CN=C4)C([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310537	0	50	0.0	-67.15	392.29	10.68	-56.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CN=C4)C([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310537	1	50	0.0	-68.83	393.86	11.15	-57.68
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)NC(=O)OC(C)(C)C	REAL300005310538	0	57	0.0	-71.56	424.36	7.14	-64.42
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)NC(=O)OC(C)(C)C	REAL300005310538	1	57	0.0	-71.84	420.50	6.99	-64.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1	REAL300005310539	0	58	0.0	-58.74	423.52	8.28	-50.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1	REAL300005310539	1	58	0.0	-64.76	419.85	8.03	-56.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C(Br)N3)C[C@H]2C1	REAL300005310540	0	39	0.0	-58.96	333.02	7.30	-51.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C(Br)N3)C[C@H]2C1	REAL300005310540	1	39	0.0	-64.14	333.45	7.18	-56.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310541	0	50	0.0	-85.90	390.29	8.89	-77.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310541	1	50	0.0	-75.83	387.90	8.99	-66.84
CC(C)C1=NC=NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310542	0	48	0.0	-60.66	360.90	8.04	-52.62
CC(C)C1=NC=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310542	1	48	0.0	-62.16	361.25	7.92	-54.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN(CC3CC3)C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310543	0	61	0.0	-69.95	457.36	10.67	-59.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN(CC3CC3)C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310543	1	61	0.0	-75.03	456.74	10.62	-64.41
CC(C)N(CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(=O)OC(C)(C)C	REAL300005310544	0	63	0.0	-60.61	456.27	10.18	-50.43
CC(C)N(CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(=O)OC(C)(C)C	REAL300005310544	1	63	0.0	-67.27	456.21	9.83	-57.44
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310545	0	48	0.0	-65.74	370.14	7.73	-58.01
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310545	1	48	0.0	-64.28	370.15	7.84	-56.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CN=C3N)C[C@H]2C1	REAL300005310546	0	41	0.0	-61.30	310.08	4.33	-56.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CN=C3N)C[C@H]2C1	REAL300005310546	1	41	0.0	-63.59	309.20	4.53	-59.06
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310547	0	53	0.0	-58.42	417.56	9.45	-48.97
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310547	1	53	0.0	-68.33	416.32	9.27	-59.06
CC1=CC=CC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310548	0	48	0.0	-65.30	362.21	10.11	-55.19
CC1=CC=CC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310548	1	48	0.0	-64.77	364.35	10.03	-54.74
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310549	0	50	0.0	-71.03	385.76	8.82	-62.21
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310549	1	50	0.0	-66.48	387.55	8.65	-57.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCCC4=C3)C[C@H]2C1	REAL300005310550	0	48	0.0	-61.63	351.96	10.18	-51.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCCC4=C3)C[C@H]2C1	REAL300005310550	1	48	0.0	-67.94	352.92	9.72	-58.22
CC(C)OCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310551	0	54	0.0	-68.90	406.52	9.44	-59.46
CC(C)OCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310551	1	54	0.0	-68.74	401.03	9.17	-59.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NN3C3=CC=CC=C3)C[C@H]2C1	REAL300005310552	0	55	0.0	-73.43	417.78	11.18	-62.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NN3C3=CC=CC=C3)C[C@H]2C1	REAL300005310552	1	55	0.0	-75.48	415.50	11.08	-64.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC3=CC=CS3)C[C@H]2C1	REAL300005310553	0	45	0.0	-64.95	373.28	9.57	-55.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC3=CC=CS3)C[C@H]2C1	REAL300005310553	1	45	0.0	-68.28	372.46	9.51	-58.77
COC1=CC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005310554	0	51	0.0	-67.29	384.06	9.52	-57.77
COC1=CC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005310554	1	51	0.0	-78.63	384.00	9.57	-69.06
CCOC1=CC=C(SCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310555	0	52	0.0	-64.71	408.48	9.80	-54.91
CCOC1=CC=C(SCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310555	1	52	0.0	-67.39	407.57	9.71	-57.68
COC1=CC=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC	REAL300005310556	0	55	0.0	-75.87	417.24	9.13	-66.74
COC1=CC=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC	REAL300005310556	1	55	0.0	-66.61	419.91	9.13	-57.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)C([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310557	0	55	0.0	-64.53	398.36	10.47	-54.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)C([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310557	1	55	0.0	-83.66	396.17	10.50	-73.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCCCOC4=C3)C[C@H]2C1	REAL300005310558	0	50	0.0	-64.18	371.34	7.92	-56.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCCCOC4=C3)C[C@H]2C1	REAL300005310558	1	50	0.0	-78.32	371.23	7.98	-70.34
CCSC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310559	0	48	0.0	-68.69	370.34	9.90	-58.79
CCSC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310559	1	48	0.0	-65.47	370.70	9.77	-55.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C[C@H]2C1	REAL300005310560	0	46	0.0	-72.89	362.97	8.32	-64.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C[C@H]2C1	REAL300005310560	1	46	0.0	-64.48	362.72	8.17	-56.31
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005310561	0	45	0.0	-59.69	342.76	7.28	-52.41
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005310561	1	45	0.0	-69.31	343.87	7.36	-61.95
COC1=CC=C(SCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310562	0	49	0.0	-77.38	385.94	8.88	-68.50
COC1=CC=C(SCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310562	1	49	0.0	-70.74	386.99	8.82	-61.92
CCC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310563	0	51	0.0	-65.55	387.55	11.02	-54.53
CCC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310563	1	51	0.0	-64.61	389.71	10.95	-53.66
CCOC1=CC=C(OC(C)(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310564	0	58	0.0	-71.41	416.34	9.59	-61.82
CCOC1=CC=C(OC(C)(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310564	1	58	0.0	-70.89	412.56	9.65	-61.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1	REAL300005310565	0	61	0.0	-73.18	436.96	9.04	-64.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1	REAL300005310565	1	61	0.0	-71.83	437.14	8.95	-62.88
CCN1C(C)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005310566	0	51	0.0	-57.52	374.25	9.48	-48.04
CCN1C(C)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005310566	1	51	0.0	-73.21	373.74	9.53	-63.68
COC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005310567	0	50	0.0	-87.84	390.80	9.75	-78.09
COC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005310567	1	50	0.0	-68.02	391.27	9.75	-58.27
CCCCCS(=O)(=O)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310568	0	52	0.0	-82.16	404.51	6.75	-75.41
CCCCCS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310568	1	52	0.0	-82.85	405.60	6.30	-76.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCOC4)S3)C[C@H]2C1	REAL300005310569	0	46	0.0	-61.97	354.45	7.22	-54.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCOC4)S3)C[C@H]2C1	REAL300005310569	1	46	0.0	-60.89	350.27	7.41	-53.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005310570	0	50	0.0	-66.86	369.14	9.64	-57.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005310570	1	50	0.0	-57.65	367.41	9.68	-47.97
COC1=CC=CC=C1CC(C)=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310571	0	55	0.0	-66.89	410.22	10.63	-56.26
COC1=CC=CC=C1CC(C)=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310571	1	55	0.0	-66.02	413.08	10.54	-55.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310572	0	54	0.0	-75.20	398.63	12.42	-62.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310572	1	54	0.0	-67.59	407.81	12.43	-55.16
CC1=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=CC=C1	REAL300005310573	0	48	0.0	-59.59	361.83	9.45	-50.14
CC1=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=CC=C1	REAL300005310573	1	48	0.0	-72.30	362.28	9.11	-63.19
CC1=CC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=C1Cl	REAL300005310574	0	51	0.0	-78.51	401.03	10.70	-67.81
CC1=CC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=C1Cl	REAL300005310574	1	51	0.0	-71.56	398.73	10.57	-60.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310575	0	49	0.0	-64.93	386.65	10.95	-53.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005310575	1	49	0.0	-69.02	386.60	10.60	-58.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=C4)O3)C[C@H]2C1	REAL300005310576	0	49	0.0	-56.59	382.56	10.25	-46.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=C4)O3)C[C@H]2C1	REAL300005310576	1	49	0.0	-67.02	387.55	10.25	-56.77
COC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1F	REAL300005310577	0	45	0.0	-75.71	344.70	7.38	-68.33
COC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1F	REAL300005310577	1	45	0.0	-67.66	346.55	7.32	-60.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310578	0	59	0.0	-68.12	427.50	7.40	-60.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310578	1	59	0.0	-76.22	426.64	7.33	-68.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310579	0	61	0.0	-77.06	431.44	9.03	-68.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCN3C(=O)OC(C)(C)C)C[C@H]2C1	REAL300005310579	1	61	0.0	-65.17	430.36	9.46	-55.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SC=CC4=C3)C[C@H]2C1	REAL300005310580	0	44	0.0	-63.89	343.98	9.26	-54.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SC=CC4=C3)C[C@H]2C1	REAL300005310580	1	44	0.0	-67.77	344.17	9.15	-58.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CN3C=NC=N3)C[C@H]2C1	REAL300005310581	0	50	0.0	-54.41	377.13	11.04	-43.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CN3C=NC=N3)C[C@H]2C1	REAL300005310581	1	50	0.0	-70.82	385.07	11.06	-59.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC3=CC=CC=C3)C[C@H]2C1	REAL300005310582	0	53	0.0	-73.55	379.49	10.16	-63.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC3=CC=CC=C3)C[C@H]2C1	REAL300005310582	1	53	0.0	-61.48	374.87	10.23	-51.25
CC1=CC=C(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCOCC2)C=C1	REAL300005310583	0	58	0.0	-61.79	408.03	9.47	-52.32
CC1=CC=C(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCOCC2)C=C1	REAL300005310583	1	58	0.0	-61.23	409.54	9.37	-51.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCOCC3)C[C@H]2C1	REAL300005310584	0	49	0.0	-74.66	363.56	7.54	-67.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCOCC3)C[C@H]2C1	REAL300005310584	1	49	0.0	-67.91	365.40	7.46	-60.45
CCC(SC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310585	0	51	0.0	-73.01	390.41	10.61	-62.40
CCC(SC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310585	1	51	0.0	-69.41	392.13	10.54	-58.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4)=CC=C3Cl)C[C@H]2C1	REAL300005310586	0	51	0.0	-57.95	399.18	12.30	-45.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4)=CC=C3Cl)C[C@H]2C1	REAL300005310586	1	51	0.0	-75.68	398.26	11.95	-63.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2C1	REAL300005310587	0	47	0.0	-76.72	354.04	4.38	-72.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2C1	REAL300005310587	1	47	0.0	-75.01	358.85	4.47	-70.54
CC(OC1CCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310588	0	51	0.0	-77.08	368.13	8.84	-68.24
CC(OC1CCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310588	1	51	0.0	-69.11	369.06	8.82	-60.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCC3O4)C[C@H]2C1	REAL300005310589	0	46	0.0	-80.31	332.53	6.42	-73.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCC3O4)C[C@H]2C1	REAL300005310589	1	46	0.0	-67.67	332.16	6.35	-61.32
C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310590	0	48	0.0	-58.09	362.24	9.07	-49.02
C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310590	1	48	0.0	-66.77	356.26	8.72	-58.05
CC1=CSC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310591	0	41	0.0	-61.74	319.45	7.68	-54.06
CC1=CSC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310591	1	41	0.0	-60.96	314.46	7.75	-53.21
CC1=CC(F)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005310592	0	44	0.0	-55.69	340.76	8.90	-46.79
CC1=CC(F)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005310592	1	44	0.0	-65.04	344.22	8.75	-56.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C(C)(C)C)C[C@H]2C1	REAL300005310593	0	53	0.0	-66.65	372.83	10.70	-55.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C(C)(C)C)C[C@H]2C1	REAL300005310593	1	53	0.0	-64.22	371.79	10.62	-53.60
COC1=CSC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310594	0	42	0.0	-50.99	328.75	6.42	-44.57
COC1=CSC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310594	1	42	0.0	-71.42	329.52	6.27	-65.15
CC(OC1CCCCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310595	0	57	0.0	-66.17	400.74	10.39	-55.78
CC(OC1CCCCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310595	1	57	0.0	-72.31	397.32	9.85	-62.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCCCC3)C[C@H]2C1	REAL300005310596	0	51	0.0	-64.19	371.86	9.96	-54.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCCCC3)C[C@H]2C1	REAL300005310596	1	51	0.0	-66.77	370.88	9.79	-56.98
CC(C)N1C=NN=C1SCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310597	0	50	0.0	-73.42	396.65	10.16	-63.26
CC(C)N1C=NN=C1SCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310597	1	50	0.0	-66.67	396.50	10.08	-56.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005310598	0	48	0.0	-81.73	373.97	8.05	-73.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005310598	1	48	0.0	-70.16	369.60	7.99	-62.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3C(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005310599	0	58	0.0	-93.13	419.26	11.21	-81.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3C(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005310599	1	58	0.0	-70.89	426.51	11.34	-59.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CN=C4C=C3)C[C@H]2C1	REAL300005310600	0	46	0.0	-67.17	350.33	8.33	-58.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CN=C4C=C3)C[C@H]2C1	REAL300005310600	1	46	0.0	-79.70	349.57	8.38	-71.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C4=CN=CC=N4)CC3)C[C@H]2C1	REAL300005310601	0	54	0.0	-64.92	396.77	6.81	-58.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C4=CN=CC=N4)CC3)C[C@H]2C1	REAL300005310601	1	54	0.0	-73.52	396.67	6.78	-66.74
CC(C)C(=O)NC1=NC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005310602	0	53	0.0	-72.96	415.45	7.72	-65.24
CC(C)C(=O)NC1=NC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005310602	1	53	0.0	-73.17	417.47	7.63	-65.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OCC4=CC=CN=C4)=C3)C[C@H]2C1	REAL300005310603	0	54	0.0	-84.77	416.08	9.49	-75.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OCC4=CC=CN=C4)=C3)C[C@H]2C1	REAL300005310603	1	54	0.0	-82.03	414.51	9.51	-72.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCOCC4)C=C3)C[C@H]2C1	REAL300005310604	0	54	0.0	-70.10	393.11	6.83	-63.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCOCC4)C=C3)C[C@H]2C1	REAL300005310604	1	54	0.0	-76.03	392.37	6.81	-69.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3N3CCOCC3)C[C@H]2C1	REAL300005310605	0	54	0.0	-66.64	396.39	7.81	-58.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3N3CCOCC3)C[C@H]2C1	REAL300005310605	1	54	0.0	-67.07	398.10	7.56	-59.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC4=NC=CN34)C[C@H]2C1	REAL300005310606	0	44	0.0	-81.16	353.44	8.66	-72.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC4=NC=CN34)C[C@H]2C1	REAL300005310606	1	44	0.0	-75.92	355.01	8.62	-67.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=NC4=CC(F)=C3)C[C@H]2C1	REAL300005310607	0	44	0.0	-71.72	342.32	7.75	-63.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=NC4=CC(F)=C3)C[C@H]2C1	REAL300005310607	1	44	0.0	-69.85	341.73	7.78	-62.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3CC3=CC=CC=C3)C[C@H]2C1	REAL300005310608	1	56	0.0	-70.17	408.32	8.97	-61.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3CC3=CC=CC=C3)C[C@H]2C1	REAL300005310608	1	56	0.0	-63.12	407.23	8.61	-54.51
COC(=O)NC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310609	0	49	0.0	-74.37	375.72	6.19	-68.18
COC(=O)NC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310609	1	49	0.0	-86.13	375.35	6.25	-79.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC#N)C=C3)C[C@H]2C1	REAL300005310610	0	45	0.0	-76.26	351.58	9.16	-67.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC#N)C=C3)C[C@H]2C1	REAL300005310610	1	45	0.0	-73.39	346.08	8.90	-64.49
CC1=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005310611	0	43	0.0	-84.36	334.11	7.28	-77.08
CC1=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005310611	1	43	0.0	-78.58	335.15	7.24	-71.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(=O)C3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310612	0	50	0.0	-58.74	389.64	9.44	-49.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(=O)C3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310612	1	50	0.0	-63.04	391.81	9.37	-53.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4CCCC4)C=C3)C[C@H]2C1	REAL300005310613	0	51	0.0	-59.08	378.34	8.98	-50.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4CCCC4)C=C3)C[C@H]2C1	REAL300005310613	1	51	0.0	-69.73	375.21	8.77	-60.96
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NC=N1	REAL300005310614	0	42	0.0	-56.65	323.40	7.52	-49.13
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NC=N1	REAL300005310614	1	42	0.0	-64.93	323.71	7.39	-57.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CN3C=CC=N3)C[C@H]2C1	REAL300005310615	0	51	0.0	-79.35	385.35	9.92	-69.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CN3C=CC=N3)C[C@H]2C1	REAL300005310615	1	51	0.0	-75.60	385.04	9.93	-65.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(C)(C)C)N=CS3)C[C@H]2C1	REAL300005310616	0	49	0.0	-59.39	360.91	7.73	-51.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(C)(C)C)N=CS3)C[C@H]2C1	REAL300005310616	1	49	0.0	-66.12	357.75	7.52	-58.60
CC1=NC(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=NN1	REAL300005310617	0	50	0.0	-58.47	387.16	8.70	-49.77
CC1=NC(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=NN1	REAL300005310617	1	50	0.0	-64.55	381.28	8.77	-55.78
COCCCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310618	0	52	0.0	-75.61	408.90	2.33	-73.28
COCCCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310618	1	52	0.0	-70.68	410.98	2.26	-68.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4CCCC4)=NO3)C[C@H]2C1	REAL300005310619	0	55	0.0	-71.72	415.13	7.75	-63.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC(C4CCCC4)=NO3)C[C@H]2C1	REAL300005310619	1	55	0.0	-67.30	416.45	7.69	-59.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=CC=CC=C43)C[C@H]2C1	REAL300005310620	0	44	0.0	-60.09	338.92	7.23	-52.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=CC=CC=C43)C[C@H]2C1	REAL300005310620	1	44	0.0	-68.88	339.33	7.10	-61.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CC4=NN3)C[C@H]2C1	REAL300005310620	1	44	0.0	-59.48	334.16	7.47	-52.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CC4=NN3)C[C@H]2C1	REAL300005310620	1	44	0.0	-72.33	334.57	7.12	-65.21
CNS(=O)(=O)C1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310621	0	49	0.0	-67.97	383.74	4.10	-63.87
CNS(=O)(=O)C1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310621	1	49	0.0	-84.57	385.00	4.18	-80.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(=O)C=C3)C[C@H]2C1	REAL300005310622	0	40	0.0	-58.96	311.33	4.09	-54.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(=O)C=C3)C[C@H]2C1	REAL300005310622	1	40	0.0	-64.93	311.75	3.95	-60.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)N=C4C=CC=CN43)C[C@H]2C1	REAL300005310623	0	44	0.0	-78.50	359.79	8.99	-69.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)N=C4C=CC=CN43)C[C@H]2C1	REAL300005310623	1	44	0.0	-79.68	359.85	9.04	-70.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC=CN=C4C=C3)C[C@H]2C1	REAL300005310624	0	45	0.0	-59.77	342.49	6.70	-53.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC=CN=C4C=C3)C[C@H]2C1	REAL300005310624	1	45	0.0	-67.95	347.71	6.38	-61.57
COC1=CC=C(O)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310625	0	46	0.0	-60.47	347.90	5.63	-54.84
COC1=CC=C(O)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310625	1	46	0.0	-73.91	349.45	5.61	-68.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC(N)=O)=C3)C[C@H]2C1	REAL300005310626	0	47	0.0	-94.10	357.34	4.04	-90.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC(N)=O)=C3)C[C@H]2C1	REAL300005310626	1	47	0.0	-88.98	357.45	4.11	-84.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CN3C3=CC=CC=C3)C[C@H]2C1	REAL300005310627	0	48	0.0	-61.79	365.27	10.45	-51.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CN3C3=CC=CC=C3)C[C@H]2C1	REAL300005310627	1	48	0.0	-68.13	365.81	10.34	-57.79
CCS(=O)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310628	0	49	0.0	-67.87	382.21	7.55	-60.32
CCS(=O)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310628	1	49	0.0	-72.98	378.85	7.34	-65.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCC(=O)NC4=C3)C[C@H]2C1	REAL300005310629	0	47	0.0	-62.80	357.10	5.50	-57.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCC(=O)NC4=C3)C[C@H]2C1	REAL300005310629	1	47	0.0	-73.15	358.96	5.22	-67.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(O)C=C3)C[C@H]2C1	REAL300005310630	0	45	0.0	-76.35	347.82	6.22	-70.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(O)C=C3)C[C@H]2C1	REAL300005310630	1	45	0.0	-72.56	348.01	6.26	-66.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCCC3)C[C@H]2C1	REAL300005310631	0	45	0.0	-77.15	331.13	7.57	-69.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCCC3)C[C@H]2C1	REAL300005310631	1	45	0.0	-56.50	331.95	7.49	-49.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CS(C)=O)=C3)C[C@H]2C1	REAL300005310632	0	49	0.0	-60.06	382.80	7.18	-52.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CS(C)=O)=C3)C[C@H]2C1	REAL300005310632	1	49	0.0	-76.59	384.07	7.25	-69.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(N4C=CC=C4)C=CS3)C[C@H]2C1	REAL300005310633	0	46	0.0	-81.77	358.23	9.87	-71.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(N4C=CC=C4)C=CS3)C[C@H]2C1	REAL300005310633	1	46	0.0	-69.94	359.21	9.94	-60.00
CN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1N1C=CC=C1	REAL300005310634	0	49	0.0	-63.92	366.70	9.24	-54.68
CN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1N1C=CC=C1	REAL300005310634	1	49	0.0	-69.48	363.57	9.01	-60.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4C=CC3C4)C[C@H]2C1	REAL300005310635	0	46	0.0	-63.69	332.83	8.73	-54.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4C=CC3C4)C[C@H]2C1	REAL300005310635	1	46	0.0	-67.05	328.80	8.50	-58.55
COC1=NC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310636	0	44	0.0	-72.25	337.30	5.57	-66.68
COC1=NC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310636	1	44	0.0	-68.42	333.99	5.28	-63.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CNN=C4C=C3)C[C@H]2C1	REAL300005310637	0	44	0.0	-75.12	333.28	6.57	-68.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CNN=C4C=C3)C[C@H]2C1	REAL300005310637	1	44	0.0	-84.94	334.42	6.69	-78.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC4=C3CCCCC4)C[C@H]2C1	REAL300005310638	0	50	0.0	-50.97	364.10	9.05	-41.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC4=C3CCCCC4)C[C@H]2C1	REAL300005310638	1	50	0.0	-67.35	362.82	9.07	-58.28
CCCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005310639	0	47	0.0	-64.48	354.01	7.41	-57.07
CCCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005310639	1	47	0.0	-67.39	355.53	7.28	-60.11
COC1=NC(C)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310640	0	47	0.0	-63.94	358.93	6.07	-57.87
COC1=NC(C)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310640	1	47	0.0	-65.75	359.28	6.10	-59.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCCO4)S3)C[C@H]2C1	REAL300005310641	0	48	0.0	-68.45	373.19	6.14	-62.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCCO4)S3)C[C@H]2C1	REAL300005310641	1	48	0.0	-71.84	370.27	6.04	-65.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC(F)(F)F)C[C@H]2C1	REAL300005310642	0	41	0.0	-78.60	341.37	7.89	-70.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSCC(F)(F)F)C[C@H]2C1	REAL300005310642	1	41	0.0	-69.18	341.21	7.82	-61.36
COCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310643	0	47	0.0	-73.60	366.56	5.46	-68.14
COCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310643	1	47	0.0	-66.55	367.43	5.52	-61.03
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1CC(C)C	REAL300005310644	0	53	0.0	-64.54	384.39	8.20	-56.34
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1CC(C)C	REAL300005310644	1	53	0.0	-60.70	378.37	8.23	-52.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CNS(C)(=O)=O)O3)C[C@H]2C1	REAL300005310645	0	49	0.0	-66.33	392.75	3.38	-62.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CNS(C)(=O)=O)O3)C[C@H]2C1	REAL300005310645	1	49	0.0	-74.34	391.58	3.23	-71.11
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C=NN(C)C2=N1	REAL300005310646	0	49	0.0	-73.72	373.88	7.68	-66.04
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C=NN(C)C2=N1	REAL300005310646	1	49	0.0	-65.78	373.57	7.56	-58.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005310647	0	56	0.0	-76.80	425.81	12.92	-63.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005310647	1	56	0.0	-73.31	425.99	12.96	-60.35
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)CC1=CC=C(Cl)C=C1	REAL300005310648	0	53	0.0	-68.72	408.03	11.61	-57.11
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)CC1=CC=C(Cl)C=C1	REAL300005310648	1	53	0.0	-70.66	409.31	11.63	-59.03
CC1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005310649	0	48	0.0	-74.66	350.33	6.90	-67.76
CC1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005310649	1	48	0.0	-67.63	346.75	6.64	-60.99
CC(C)NC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310650	0	54	0.0	-78.17	407.87	7.94	-70.23
CC(C)NC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310650	1	54	0.0	-74.89	402.37	7.65	-67.24
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)C=C1Br	REAL300005310651	0	47	0.0	-74.62	368.51	9.82	-64.80
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)C=C1Br	REAL300005310651	1	47	0.0	-70.64	365.45	9.66	-60.98
CC1=CSC2=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C(=O)N12	REAL300005310652	0	46	0.0	-64.75	369.58	7.88	-56.87
CC1=CSC2=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C(=O)N12	REAL300005310652	1	46	0.0	-71.60	366.33	7.69	-63.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Br)C(F)=C3)C[C@H]2C1	REAL300005310653	0	44	0.0	-77.74	362.28	9.68	-68.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Br)C(F)=C3)C[C@H]2C1	REAL300005310653	1	44	0.0	-63.81	362.76	9.70	-54.11
COC1=CC2=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C2C=C1	REAL300005310654	0	54	0.0	-62.45	410.51	10.51	-51.94
COC1=CC2=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C2C=C1	REAL300005310654	1	54	0.0	-69.30	410.15	10.42	-58.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC3=CC=CN=C3)C[C@H]2C1	REAL300005310655	0	51	0.0	-71.94	393.84	9.80	-62.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC3=CC=CN=C3)C[C@H]2C1	REAL300005310655	1	51	0.0	-70.97	395.16	9.69	-61.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C3CCCCC3)C[C@H]2C1	REAL300005310656	0	57	0.0	-74.47	419.30	8.17	-66.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC(=O)C3CCCCC3)C[C@H]2C1	REAL300005310656	1	57	0.0	-78.28	419.25	7.83	-70.45
CC(C)CN1N=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C21	REAL300005310657	0	55	0.0	-56.87	416.12	9.54	-47.33
CC(C)CN1N=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C21	REAL300005310657	1	55	0.0	-69.93	413.67	9.42	-60.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OC4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005310658	0	51	0.0	-59.11	393.58	8.38	-50.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OC4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005310658	1	51	0.0	-63.31	395.82	8.29	-55.02
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310659	0	50	0.0	-82.26	389.32	9.36	-72.90
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310659	1	50	0.0	-62.94	392.02	9.31	-53.63
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310660	0	50	0.0	-80.46	383.40	8.57	-71.89
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310660	1	50	0.0	-71.99	386.39	8.49	-63.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC4=C(CCC4)S3)C[C@H]2C1	REAL300005310661	0	52	0.0	-62.38	408.15	7.90	-54.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC4=C(CCC4)S3)C[C@H]2C1	REAL300005310661	1	52	0.0	-64.68	410.25	7.82	-56.86
CNC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005310662	0	47	0.0	-57.44	364.59	4.46	-52.98
CNC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005310662	1	47	0.0	-67.63	361.40	4.40	-63.23
CN(C)C(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310663	0	51	0.0	-79.21	379.58	7.82	-71.39
CN(C)C(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310663	1	51	0.0	-77.26	374.50	7.54	-69.72
CN(C)C(=O)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1	REAL300005310664	0	51	0.0	-76.89	379.12	7.66	-69.23
CN(C)C(=O)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1	REAL300005310664	1	51	0.0	-89.22	377.76	7.83	-81.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=CN=CC=N4)=N3)C[C@H]2C1	REAL300005310665	0	45	0.0	-61.29	365.44	5.87	-55.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=CN=CC=N4)=N3)C[C@H]2C1	REAL300005310665	1	45	0.0	-69.20	367.62	5.76	-63.44
CN1C=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1=O	REAL300005310666	0	44	0.0	-70.90	342.32	7.08	-63.82
CN1C=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1=O	REAL300005310666	1	44	0.0	-73.12	342.19	6.96	-66.16
CNS(=O)(=O)C1=CSC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310667	0	46	0.0	-59.91	379.08	3.10	-56.81
CNS(=O)(=O)C1=CSC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310667	1	46	0.0	-71.38	377.86	3.13	-68.25
COC1=CC=C(C2=CN=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1	REAL300005310668	0	54	0.0	-66.69	405.93	8.86	-57.83
COC1=CC=C(C2=CN=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1	REAL300005310668	1	54	0.0	-70.16	406.12	8.75	-61.41
CC1=CC=CC(C2=CN=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=C1	REAL300005310669	0	53	0.0	-77.97	400.68	10.30	-67.67
CC1=CC=CC(C2=CN=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=C1	REAL300005310669	1	53	0.0	-68.40	398.08	10.11	-58.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C3C=CS4)C[C@H]2C1	REAL300005310670	0	48	0.0	-64.13	367.74	9.66	-54.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C3C=CS4)C[C@H]2C1	REAL300005310670	1	48	0.0	-69.14	365.91	9.70	-59.44
CC1=CC=C(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)O1	REAL300005310671	0	48	0.0	-65.80	384.00	9.66	-56.14
CC1=CC=C(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)O1	REAL300005310671	1	48	0.0	-67.92	384.17	9.72	-58.20
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)S1	REAL300005310672	0	44	0.0	-65.42	364.20	9.35	-56.07
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)S1	REAL300005310672	1	44	0.0	-67.72	355.62	9.26	-58.46
CC1=CC=C(CC2=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CS2)C=C1	REAL300005310673	0	53	0.0	-59.89	421.64	10.96	-48.93
CC1=CC=C(CC2=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CS2)C=C1	REAL300005310673	1	53	0.0	-68.26	422.06	10.83	-57.43
CCC(C)OC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005310674	0	53	0.0	-65.18	396.53	7.69	-57.49
CCC(C)OC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005310674	1	53	0.0	-65.24	397.47	7.22	-58.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3CC3)C3CC3)C[C@H]2C1	REAL300005310675	0	48	0.0	-61.29	350.07	9.44	-51.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3CC3)C3CC3)C[C@H]2C1	REAL300005310675	1	48	0.0	-63.59	358.85	9.62	-53.97
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1CCCC1	REAL300005310676	0	54	0.0	-54.71	395.07	9.18	-45.53
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1CCCC1	REAL300005310676	1	54	0.0	-68.35	394.34	9.11	-59.24
CCC(C)N1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1CC1	REAL300005310677	0	57	0.0	-69.33	416.33	9.83	-59.50
CCC(C)N1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1CC1	REAL300005310677	1	57	0.0	-66.99	417.75	9.68	-57.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCOC3CCOCC3)C[C@H]2C1	REAL300005310678	0	52	0.0	-61.08	385.60	6.80	-54.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCOC3CCOCC3)C[C@H]2C1	REAL300005310678	1	52	0.0	-68.67	385.59	6.45	-62.22
CCOC1=CC(Cl)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310679	0	48	0.0	-70.65	375.87	9.72	-60.93
CCOC1=CC(Cl)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310679	1	48	0.0	-53.56	372.84	9.90	-43.66
C=CCOC1=CC(OC)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310680	0	53	0.0	-57.50	404.34	9.17	-48.33
C=CCOC1=CC(OC)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310680	1	53	0.0	-63.91	403.38	9.06	-54.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC=C3OCC(F)(F)F)C[C@H]2C1	REAL300005310681	0	47	0.0	-67.44	375.53	9.04	-58.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC=C3OCC(F)(F)F)C[C@H]2C1	REAL300005310681	1	47	0.0	-69.50	371.34	9.16	-60.34
C=CCOC1=CC=CN=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310682	0	48	0.0	-63.87	368.86	9.17	-54.70
C=CCOC1=CC=CN=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310682	1	48	0.0	-71.71	369.30	9.06	-62.65
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=C(C)C=C1	REAL300005310683	0	54	0.0	-73.16	410.39	10.84	-62.32
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=C(C)C=C1	REAL300005310683	1	54	0.0	-59.36	412.01	10.84	-48.52
COC1=CC=C(N2N=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C)C=C1	REAL300005310684	0	55	0.0	-72.62	420.02	9.50	-63.12
COC1=CC=C(N2N=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C)C=C1	REAL300005310684	1	55	0.0	-59.55	420.08	9.47	-50.08
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C(C)C	REAL300005310685	0	50	0.0	-64.21	370.81	7.80	-56.41
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C(C)C	REAL300005310685	1	50	0.0	-63.28	369.04	7.88	-55.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3Br)C[C@H]2C1	REAL300005310686	0	40	0.0	-67.47	324.66	6.91	-60.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3Br)C[C@H]2C1	REAL300005310686	1	40	0.0	-60.88	325.03	6.78	-54.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005310687	0	46	0.0	-61.18	351.17	9.22	-51.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005310687	1	46	0.0	-68.41	349.72	9.03	-59.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4=CC=CC=C4OC4=CC=CC=C43)C[C@H]2C1	REAL300005310688	0	53	0.0	-79.62	401.19	11.16	-68.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4=CC=CC=C4OC4=CC=CC=C43)C[C@H]2C1	REAL300005310688	1	53	0.0	-71.39	406.77	11.28	-60.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OCC4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005310689	0	54	0.0	-58.80	416.29	8.67	-50.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OCC4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005310689	1	54	0.0	-65.94	416.48	8.56	-57.38
COC1=CC=C(C(=O)NCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310690	0	52	0.0	-62.72	399.53	6.18	-56.54
COC1=CC=C(C(=O)NCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310690	1	52	0.0	-65.13	401.61	6.11	-59.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC4=CC=CC=C43)C[C@H]2C1	REAL300005310691	0	47	0.0	-78.43	364.50	7.16	-71.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC4=CC=CC=C43)C[C@H]2C1	REAL300005310691	1	47	0.0	-75.70	364.44	7.06	-68.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCC4=NC4=CC=CC=C43)C[C@H]2C1	REAL300005310692	0	53	0.0	-61.70	400.43	10.33	-51.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCC4=NC4=CC=CC=C43)C[C@H]2C1	REAL300005310692	1	53	0.0	-65.89	398.61	10.23	-55.66
CCOC1=CC=CC=C1C(=O)NCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310693	0	55	0.0	-60.07	422.03	8.34	-51.73
CCOC1=CC=CC=C1C(=O)NCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310693	1	55	0.0	-67.26	421.40	8.28	-58.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC=CS3)C[C@H]2C1	REAL300005310694	0	45	0.0	-62.01	362.28	5.88	-56.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC=CS3)C[C@H]2C1	REAL300005310694	1	45	0.0	-64.31	364.36	5.80	-58.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC=CC(F)=C3)C[C@H]2C1	REAL300005310695	0	48	0.0	-62.54	376.54	6.95	-55.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC=CC(F)=C3)C[C@H]2C1	REAL300005310695	1	48	0.0	-65.09	378.63	6.87	-58.22
COC1=CC=CC(C(=O)NCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310696	0	52	0.0	-63.64	399.61	6.18	-57.46
COC1=CC=CC(C(=O)NCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310696	1	52	0.0	-66.45	401.69	6.10	-60.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC=C4OCOC4=C3)C[C@H]2C1	REAL300005310697	0	51	0.0	-64.16	396.15	5.55	-58.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)C3=CC=C4OCOC4=C3)C[C@H]2C1	REAL300005310697	1	51	0.0	-66.34	398.24	5.48	-60.86
CCOC1=CC=C(C(=O)NCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310698	0	55	0.0	-62.40	421.39	7.12	-55.28
CCOC1=CC=C(C(=O)NCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310698	1	55	0.0	-64.94	423.47	7.03	-57.91
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COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1=CC=CC=N1	REAL300005310700	1	54	0.0	-72.01	405.97	9.47	-62.54
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3(C)CCC3)C[C@H]2C1	REAL300005310702	0	48	0.0	-68.49	352.96	8.29	-60.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3(C)CCC3)C[C@H]2C1	REAL300005310702	1	48	0.0	-67.79	355.79	8.24	-59.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CN=C4)C=C3)C[C@H]2C1	REAL300005310703	0	51	0.0	-69.66	392.56	9.09	-60.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CN=C4)C=C3)C[C@H]2C1	REAL300005310703	1	51	0.0	-61.16	391.85	9.03	-52.13
CC(=O)NC1=CC=C(F)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310704	0	48	0.0	-61.82	370.46	7.07	-54.75
CC(=O)NC1=CC=C(F)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310704	1	48	0.0	-70.90	373.73	6.91	-63.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3SC(F)(F)F)C[C@H]2C1	REAL300005310705	0	44	0.0	-62.77	363.61	8.29	-54.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3SC(F)(F)F)C[C@H]2C1	REAL300005310705	1	44	0.0	-65.28	360.29	8.09	-57.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(C)(C)C3=CC=CC=C3)C[C@H]2C1	REAL300005310706	0	56	0.0	-75.18	405.73	11.22	-63.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(C)(C)C3=CC=CC=C3)C[C@H]2C1	REAL300005310706	1	56	0.0	-70.99	405.91	11.26	-59.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CO4)NC3=O)C[C@H]2C1	REAL300005310707	0	48	0.0	-69.55	378.68	6.84	-62.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CO4)NC3=O)C[C@H]2C1	REAL300005310707	1	48	0.0	-65.24	381.99	6.86	-58.38
CN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1CC1	REAL300005310708	0	48	0.0	-54.19	356.25	7.59	-46.60
CN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1CC1	REAL300005310708	1	48	0.0	-67.63	357.56	7.49	-60.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(N4CCOCC4)C=C3)C[C@H]2C1	REAL300005310709	0	58	0.0	-61.52	430.90	8.40	-53.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(N4CCOCC4)C=C3)C[C@H]2C1	REAL300005310709	1	58	0.0	-66.39	430.53	8.33	-58.06
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COC1=NC=NC(OC)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310711	1	47	0.0	-62.94	369.05	3.26	-59.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC4=CC=CN=C43)C[C@H]2C1	REAL300005310712	0	46	0.0	-63.47	358.10	8.72	-54.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC4=CC=CN=C43)C[C@H]2C1	REAL300005310712	1	46	0.0	-68.93	358.37	8.63	-60.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C([N+](=O)[O-])C4=CC=CN=C34)C[C@H]2C1	REAL300005310713	0	48	0.0	-58.42	373.71	9.35	-49.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C([N+](=O)[O-])C4=CC=CN=C34)C[C@H]2C1	REAL300005310713	1	48	0.0	-81.51	375.48	9.28	-72.23
CC(=CC1=CC=CC=C1Cl)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310714	0	48	0.0	-64.97	379.33	10.82	-54.15
CC(=CC1=CC=CC=C1Cl)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310714	1	48	0.0	-72.50	368.64	10.09	-62.41
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300005310715	0	45	0.0	-64.55	354.65	7.82	-56.73
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300005310715	1	45	0.0	-73.09	353.75	7.83	-65.26
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310716	0	48	0.0	-64.28	380.70	10.88	-53.40
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310716	1	48	0.0	-73.51	383.81	10.53	-62.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C3CCCC3)C[C@H]2C1	REAL300005310717	0	51	0.0	-61.38	371.98	8.72	-52.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C3CCCC3)C[C@H]2C1	REAL300005310717	1	51	0.0	-65.28	372.45	8.61	-56.67
CN1N=CC=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310718	0	47	0.0	-72.84	359.19	7.45	-65.39
CN1N=CC=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310718	1	47	0.0	-68.52	360.51	7.39	-61.13
COC1=NOC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310719	0	41	0.0	-57.19	319.82	3.66	-53.53
COC1=NOC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310719	1	41	0.0	-64.52	318.69	3.51	-61.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=CNC4=N3)C[C@H]2C1	REAL300005310720	0	44	0.0	-60.02	337.79	8.17	-51.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=CNC4=N3)C[C@H]2C1	REAL300005310720	1	44	0.0	-70.11	334.66	7.94	-62.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C=N3)C[C@H]2C1	REAL300005310721	0	47	0.0	-67.95	364.40	10.45	-57.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4)C=N3)C[C@H]2C1	REAL300005310721	1	47	0.0	-69.91	366.57	10.44	-59.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=NC=C3Cl)C[C@H]2C1	REAL300005310722	0	39	0.0	-57.67	314.44	7.41	-50.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=NC=C3Cl)C[C@H]2C1	REAL300005310722	1	39	0.0	-65.36	311.30	7.21	-58.15
CC1=NC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C2C=C1	REAL300005310723	0	49	0.0	-77.02	371.88	9.26	-67.76
CC1=NC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C2C=C1	REAL300005310723	1	49	0.0	-72.36	373.54	9.14	-63.22
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)S1	REAL300005310724	0	43	0.0	-53.58	336.63	7.36	-46.22
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)S1	REAL300005310724	1	43	0.0	-63.53	333.36	7.50	-56.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC=C(F)C=C4C3)C[C@H]2C1	REAL300005310725	0	49	0.0	-73.64	369.46	8.69	-64.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC=C(F)C=C4C3)C[C@H]2C1	REAL300005310725	1	49	0.0	-67.23	374.43	8.75	-58.48
CC1=CC(Cl)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310726	0	44	0.0	-58.64	345.17	9.11	-49.53
CC1=CC(Cl)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310726	1	44	0.0	-64.66	345.47	8.99	-55.67
CC1=NC(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005310727	0	49	0.0	-79.48	385.94	8.37	-71.11
CC1=NC(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005310727	1	49	0.0	-73.17	387.26	8.33	-64.84
CNS(=O)(=O)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005310728	0	49	0.0	-74.03	385.89	3.05	-70.98
CNS(=O)(=O)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005310728	1	49	0.0	-70.88	387.41	3.07	-67.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4CCCO4)=N3)C[C@H]2C1	REAL300005310729	0	48	0.0	-70.20	374.29	6.79	-63.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4CCCO4)=N3)C[C@H]2C1	REAL300005310729	1	48	0.0	-67.33	374.77	6.79	-60.54
CCOCCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310730	0	54	0.0	-74.48	388.65	8.04	-66.44
CCOCCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310730	1	54	0.0	-69.75	389.83	8.03	-61.72
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC=C1C1=CC=CC=N1	REAL300005310731	0	53	0.0	-69.46	396.42	11.12	-58.34
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC=C1C1=CC=CC=N1	REAL300005310731	1	53	0.0	-82.10	393.93	11.11	-70.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CSCCS3)C[C@H]2C1	REAL300005310732	0	46	0.0	-63.86	359.51	9.31	-54.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CSCCS3)C[C@H]2C1	REAL300005310732	1	46	0.0	-65.11	359.98	8.89	-56.22
CCC1=NNC(=O)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1CC	REAL300005310733	0	52	0.0	-62.15	391.99	6.51	-55.64
CCC1=NNC(=O)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1CC	REAL300005310733	1	52	0.0	-66.71	388.89	6.42	-60.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CCC(F)(F)F)C=C3)C[C@H]2C1	REAL300005310734	0	50	0.0	-70.82	391.85	10.59	-60.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CCC(F)(F)F)C=C3)C[C@H]2C1	REAL300005310734	1	50	0.0	-70.95	386.35	10.33	-60.62
COCCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310735	0	48	0.0	-74.65	359.87	6.93	-67.72
COCCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310735	1	48	0.0	-63.25	356.00	6.99	-56.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C4NC=CC4=C3)C[C@H]2C1	REAL300005310736	0	51	0.0	-63.06	389.80	10.31	-52.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C4NC=CC4=C3)C[C@H]2C1	REAL300005310736	1	51	0.0	-70.93	389.74	9.97	-60.96
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NC2=CC=CC=C21	REAL300005310737	0	49	0.0	-71.87	366.05	8.87	-63.00
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NC2=CC=CC=C21	REAL300005310737	1	49	0.0	-70.71	365.79	8.87	-61.84
CN1N=CC([N+](=O)[O-])=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310738	0	43	0.0	-85.69	347.05	6.62	-79.07
CN1N=CC([N+](=O)[O-])=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310738	1	43	0.0	-80.02	342.65	6.69	-73.33
COC1=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310739	0	49	0.0	-69.37	380.36	8.96	-60.41
COC1=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310739	1	49	0.0	-67.52	382.51	8.89	-58.63
COC1=C(F)C=CC(F)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310740	0	45	0.0	-61.51	361.96	7.83	-53.68
COC1=C(F)C=CC(F)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310740	1	45	0.0	-71.81	361.33	7.83	-63.98
CC1=CC(Cl)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005310741	0	47	0.0	-70.52	361.46	9.68	-60.84
CC1=CC(Cl)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005310741	1	47	0.0	-65.49	364.59	9.65	-55.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4C=CSC4=C3)C[C@H]2C1	REAL300005310742	0	43	0.0	-54.47	341.73	7.43	-47.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4C=CSC4=C3)C[C@H]2C1	REAL300005310742	1	43	0.0	-68.24	339.16	7.30	-60.94
COC1=CC=C(C2=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)O2)C=C1	REAL300005310743	0	54	0.0	-59.95	415.56	7.64	-52.31
COC1=CC=C(C2=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)O2)C=C1	REAL300005310743	1	54	0.0	-66.16	419.45	7.51	-58.65
CC1=C(C)N2C(=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=O)S1	REAL300005310744	0	49	0.0	-75.06	388.27	8.55	-66.51
CC1=C(C)N2C(=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=O)S1	REAL300005310744	1	49	0.0	-70.64	386.53	8.44	-62.20
CC(C)OC1=CN=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310745	0	50	0.0	-61.82	371.59	7.40	-54.42
CC(C)OC1=CN=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310745	1	50	0.0	-68.27	373.24	7.00	-61.27
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310746	0	48	0.0	-72.04	362.03	8.90	-63.14
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310746	1	48	0.0	-71.19	363.81	8.83	-62.36
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(C2CC2)=N1	REAL300005310747	0	47	0.0	-60.27	358.38	6.16	-54.11
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(C2CC2)=N1	REAL300005310747	1	47	0.0	-66.32	360.76	6.09	-60.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCCC3)C[C@H]2C1	REAL300005310748	0	53	0.0	-50.03	359.71	9.03	-41.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCCC3)C[C@H]2C1	REAL300005310748	1	53	0.0	-59.82	359.60	8.95	-50.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCCCC3)C[C@H]2C1	REAL300005310749	0	53	0.0	-60.71	358.21	8.99	-51.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCCCC3)C[C@H]2C1	REAL300005310749	1	53	0.0	-65.29	350.25	9.16	-56.13
CC1=NC(CC(C)C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310750	0	52	0.0	-76.46	392.91	8.56	-67.90
CC1=NC(CC(C)C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310750	1	52	0.0	-65.71	386.26	8.34	-57.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCCCC3)C[C@H]2C1	REAL300005310751	0	53	0.0	-63.64	361.21	9.38	-54.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCCCC3)C[C@H]2C1	REAL300005310751	1	53	0.0	-54.33	360.43	9.30	-45.03
CNC(=O)C1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310752	0	48	0.0	-59.25	363.59	6.21	-53.04
CNC(=O)C1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310752	1	48	0.0	-89.34	364.86	6.30	-83.04
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(C2=CC=CC=C2)=N1	REAL300005310753	0	50	0.0	-61.09	386.24	7.55	-53.54
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(C2=CC=CC=C2)=N1	REAL300005310753	1	50	0.0	-67.82	385.09	7.38	-60.44
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300005310754	0	47	0.0	-46.65	374.17	10.16	-36.49
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300005310754	1	47	0.0	-65.32	372.75	9.95	-55.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NC4=CC=C(F)C=C43)C[C@H]2C1	REAL300005310755	0	53	0.0	-69.09	405.27	10.54	-58.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NC4=CC=C(F)C=C43)C[C@H]2C1	REAL300005310755	1	53	0.0	-62.38	405.71	10.42	-51.96
C=CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310756	0	51	0.0	-63.39	387.92	10.91	-52.48
C=CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310756	1	51	0.0	-66.27	388.34	10.88	-55.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4CCCCC4C3)C[C@H]2C1	REAL300005310757	0	57	0.0	-61.85	389.45	10.49	-51.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4CCCCC4C3)C[C@H]2C1	REAL300005310757	1	57	0.0	-68.85	396.68	10.67	-58.18
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005310758	0	50	0.0	-75.57	384.04	10.08	-65.49
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005310758	1	50	0.0	-66.35	388.26	10.15	-56.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(C(C)(C)C)CC3)C[C@H]2C1	REAL300005310759	0	62	0.0	-61.87	419.71	11.12	-50.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(C(C)(C)C)CC3)C[C@H]2C1	REAL300005310759	1	62	0.0	-69.28	418.61	11.17	-58.11
CC(CCCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310760	0	56	0.0	-65.25	411.62	11.66	-53.59
CC(CCCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310760	1	56	0.0	-69.19	415.51	11.67	-57.52
CCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005310761	0	50	0.0	-66.76	380.67	10.23	-56.53
CCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005310761	1	50	0.0	-67.42	380.42	10.20	-57.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN=CC(F)=C3)C[C@H]2C1	REAL300005310762	0	46	0.0	-71.33	359.45	8.16	-63.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN=CC(F)=C3)C[C@H]2C1	REAL300005310762	1	46	0.0	-68.12	359.64	8.21	-59.91
CC(CC1=CC=CC(Cl)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310763	0	50	0.0	-64.44	384.60	10.56	-53.88
CC(CC1=CC=CC(Cl)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310763	1	50	0.0	-65.43	386.76	10.50	-54.93
CN1C(=O)NC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C21	REAL300005310764	0	48	0.0	-71.65	364.66	6.79	-64.86
CN1C(=O)NC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C21	REAL300005310764	1	48	0.0	-72.36	365.29	6.67	-65.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(C)(C)CC3)C[C@H]2C1	REAL300005310765	0	56	0.0	-72.53	390.64	10.23	-62.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(C)(C)CC3)C[C@H]2C1	REAL300005310765	1	56	0.0	-64.86	391.33	10.20	-54.66
CC(C)CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(=O)N1	REAL300005310766	0	53	0.0	-66.04	403.27	8.23	-57.81
CC(C)CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(=O)N1	REAL300005310766	1	53	0.0	-67.86	403.40	7.78	-60.08
CC(C)C1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310767	0	46	0.0	-64.35	357.75	7.24	-57.11
CC(C)C1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310767	1	46	0.0	-66.80	359.13	7.22	-59.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(=O)NC4CC4)C=C3)C[C@H]2C1	REAL300005310768	0	52	0.0	-77.87	397.35	8.00	-69.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(=O)NC4CC4)C=C3)C[C@H]2C1	REAL300005310768	1	52	0.0	-64.78	395.68	7.84	-56.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(NS(C)(=O)=O)C(C)(C)C)C[C@H]2C1	REAL300005310769	0	54	0.0	-77.86	397.20	3.66	-74.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(NS(C)(=O)=O)C(C)(C)C)C[C@H]2C1	REAL300005310769	1	54	0.0	-68.40	395.50	3.89	-64.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=N4)=CC=C3Cl)C[C@H]2C1	REAL300005310770	0	50	0.0	-57.20	394.40	10.52	-46.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=N4)=CC=C3Cl)C[C@H]2C1	REAL300005310770	1	50	0.0	-70.18	397.77	10.35	-59.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OC4CCC4)=C3)C[C@H]2C1	REAL300005310771	0	51	0.0	-80.67	384.62	7.23	-73.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OC4CCC4)=C3)C[C@H]2C1	REAL300005310771	1	51	0.0	-68.86	382.36	7.22	-61.64
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1N1C=NN=N1	REAL300005310772	0	50	0.0	-73.45	382.48	7.63	-65.82
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1N1C=NN=N1	REAL300005310772	1	50	0.0	-79.83	383.76	7.74	-72.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]2C1	REAL300005310773	0	44	0.0	-77.01	352.67	6.49	-70.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]2C1	REAL300005310773	1	44	0.0	-73.82	354.75	6.41	-67.41
CC(C)OC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310774	0	50	0.0	-61.92	372.16	7.53	-54.39
CC(C)OC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310774	1	50	0.0	-68.47	376.28	7.59	-60.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=C(C=CC5=C4C=CC=C5)O3)C[C@H]2C1	REAL300005310775	0	53	0.0	-84.06	409.91	11.86	-72.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=C(C=CC5=C4C=CC=C5)O3)C[C@H]2C1	REAL300005310775	1	53	0.0	-73.66	408.57	11.97	-61.69
CCOC1=CC=CC=C1C(F)(F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310776	0	51	0.0	-55.85	392.20	10.16	-45.69
CCOC1=CC=CC=C1C(F)(F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310776	1	51	0.0	-64.62	393.19	9.29	-55.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=COC=C4)=C3)C[C@H]2C1	REAL300005310777	0	48	0.0	-65.06	366.10	9.50	-55.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=COC=C4)=C3)C[C@H]2C1	REAL300005310777	1	48	0.0	-70.29	366.52	9.41	-60.88
CCN1N=CC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310778	0	48	0.0	-67.07	368.90	8.07	-59.00
CCN1N=CC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310778	1	48	0.0	-65.95	371.69	8.02	-57.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=NC(C5CC5)=NO4)C=C3)C[C@H]2C1	REAL300005310779	0	53	0.0	-50.95	410.56	8.98	-41.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=NC(C5CC5)=NO4)C=C3)C[C@H]2C1	REAL300005310779	1	53	0.0	-74.22	412.36	8.86	-65.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OC4CCOC4)=C3)C[C@H]2C1	REAL300005310780	0	52	0.0	-60.84	391.15	5.23	-55.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OC4CCOC4)=C3)C[C@H]2C1	REAL300005310780	1	52	0.0	-70.28	390.87	5.27	-65.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4N=S=NC4=C3)C[C@H]2C1	REAL300005310781	0	42	0.0	-51.55	329.80	6.21	-45.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4N=S=NC4=C3)C[C@H]2C1	REAL300005310781	1	42	0.0	-65.44	335.91	6.27	-59.17
CCC1=NN(C)C(Cl)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310782	0	47	0.0	-58.06	379.22	7.80	-50.26
CCC1=NN(C)C(Cl)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310782	1	47	0.0	-66.27	379.58	7.70	-58.57
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C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4F)CCC3)C[C@H]2C1	REAL300005310795	1	51	0.0	-65.91	375.79	10.34	-55.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4F)CCCC3)C[C@H]2C1	REAL300005310796	0	54	0.0	-56.57	388.14	11.46	-45.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(F)C=C4F)CCCC3)C[C@H]2C1	REAL300005310796	1	54	0.0	-66.50	386.05	10.92	-55.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC(Cl)=CC=C4C=C3)C[C@H]2C1	REAL300005310797	0	46	0.0	-65.94	368.66	9.77	-56.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC(Cl)=CC=C4C=C3)C[C@H]2C1	REAL300005310797	1	46	0.0	-65.47	369.97	9.62	-55.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Br)N=CS3)C[C@H]2C1	REAL300005310798	0	37	0.0	-76.76	311.83	5.58	-71.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Br)N=CS3)C[C@H]2C1	REAL300005310798	1	37	0.0	-60.92	308.72	5.85	-55.07
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CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310799	1	54	0.0	-64.29	408.55	10.33	-53.96
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CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310801	0	50	0.0	-57.98	395.60	10.63	-47.35
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(OCC4CC4)C(Cl)=C3)C[C@H]2C1	REAL300005310802	0	51	0.0	-58.99	403.78	7.74	-51.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(OCC4CC4)C(Cl)=C3)C[C@H]2C1	REAL300005310802	1	51	0.0	-64.12	403.97	7.64	-56.48
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CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)S(=O)(=O)C1=CC=CN=C1	REAL300005310803	1	51	0.0	-75.48	406.33	4.92	-70.56
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C3F)NC(=O)CC4)C[C@H]2C1	REAL300005310807	0	49	0.0	-66.83	376.05	7.63	-59.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C3F)NC(=O)CC4)C[C@H]2C1	REAL300005310807	1	49	0.0	-85.29	375.18	7.28	-78.01
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CC1=NC=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310808	1	42	0.0	-59.54	314.02	6.67	-52.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC4=CC=CN=C43)C[C@H]2C1	REAL300005310809	0	46	0.0	-63.36	368.39	9.16	-54.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC4=CC=CN=C43)C[C@H]2C1	REAL300005310809	1	46	0.0	-70.81	365.04	8.94	-61.87
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310811	0	46	0.0	-58.46	349.22	8.86	-49.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310811	1	46	0.0	-67.46	350.27	8.42	-59.04
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300005310812	0	50	0.0	-69.03	384.74	10.41	-58.62
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300005310812	1	50	0.0	-63.40	384.15	10.35	-53.05
CC(C)CN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1CC1	REAL300005310813	0	57	0.0	-60.34	408.31	9.48	-50.86
CC(C)CN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1CC1	REAL300005310813	1	57	0.0	-67.78	408.43	9.38	-58.40
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CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1CC(C)C	REAL300005310814	1	56	0.0	-61.26	404.69	8.79	-52.47
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310815	0	51	0.0	-62.80	397.22	10.70	-52.10
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005310815	1	51	0.0	-63.40	399.10	10.70	-52.70
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)O2)=C1	REAL300005310816	0	57	0.0	-60.23	431.95	12.04	-48.19
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)O2)=C1	REAL300005310816	1	57	0.0	-66.17	434.31	11.95	-54.22
CCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1S(C)(=O)=O	REAL300005310817	0	53	0.0	-59.26	396.05	6.64	-52.62
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C=N3)C[C@H]2C1	REAL300005310818	0	40	0.0	-56.33	323.37	7.60	-48.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C=N3)C[C@H]2C1	REAL300005310818	1	40	0.0	-63.90	323.78	7.47	-56.43
CC1=CC(F)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310819	0	44	0.0	-61.01	336.21	8.77	-52.24
CC1=CC(F)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310819	1	44	0.0	-68.58	336.83	8.64	-59.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCC(=O)N4)C[C@H]2C1	REAL300005310820	0	47	0.0	-64.85	361.27	6.18	-58.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCC(=O)N4)C[C@H]2C1	REAL300005310820	1	47	0.0	-67.07	360.76	6.17	-60.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Br)C=CO3)C[C@H]2C1	REAL300005310821	0	38	0.0	-74.84	310.20	6.99	-67.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Br)C=CO3)C[C@H]2C1	REAL300005310821	1	38	0.0	-67.25	313.34	6.91	-60.34
CC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005310822	0	45	0.0	-73.35	341.14	6.57	-66.78
CC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005310822	1	45	0.0	-67.65	341.61	6.45	-61.20
CC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005310823	0	44	0.0	-55.54	341.46	9.21	-46.33
CC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005310823	1	44	0.0	-61.43	343.99	9.03	-52.40
CC(=O)NC1=CC=C(Cl)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310824	0	48	0.0	-59.85	379.07	7.51	-52.34
CC(=O)NC1=CC=C(Cl)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310824	1	48	0.0	-68.91	382.74	7.33	-61.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC=C3)C[C@H]2C1	REAL300005310825	0	41	0.0	-70.19	322.57	5.22	-64.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC=C3)C[C@H]2C1	REAL300005310825	1	41	0.0	-69.97	321.72	5.23	-64.74
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CC(C)[C@H]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310826	1	56	0.0	-64.36	394.95	10.18	-54.18
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCSCC3)C[C@H]2C1	REAL300005310831	0	45	0.0	-63.97	338.96	8.24	-55.73
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=CC=C4[N+](=O)[O-])C=C3)C[C@H]2C1	REAL300005310856	0	50	0.0	-62.35	395.88	10.81	-51.54
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CC(C)OCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310860	0	50	0.0	-75.74	374.09	7.64	-68.10
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CCCCCCC(CC)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310868	1	58	0.0	-64.61	414.13	10.85	-53.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCO3)C[C@H]2C1	REAL300005310869	0	48	0.0	-67.52	351.81	8.04	-59.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCO3)C[C@H]2C1	REAL300005310869	1	48	0.0	-65.27	351.67	7.97	-57.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCC4)C=C3)C[C@H]2C1	REAL300005310870	0	51	0.0	-68.40	375.05	10.58	-57.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCC4)C=C3)C[C@H]2C1	REAL300005310870	1	51	0.0	-52.21	371.71	10.50	-41.71
CCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300005310871	0	54	0.0	-67.29	403.75	9.46	-57.83
CCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300005310871	1	54	0.0	-68.81	403.50	9.43	-59.38
CC1=CC=C(CC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310872	0	53	0.0	-63.47	389.27	10.72	-52.75
CC1=CC=C(CC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310872	1	53	0.0	-64.07	391.43	10.67	-53.40
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310873	0	47	0.0	-77.07	360.96	9.06	-68.01
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005310873	1	47	0.0	-66.66	362.55	9.15	-57.51
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOCC1	REAL300005310874	0	51	0.0	-61.01	361.21	7.16	-53.85
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOCC1	REAL300005310874	1	51	0.0	-64.29	359.68	7.08	-57.21
COCCOC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310875	0	52	0.0	-56.77	409.10	9.11	-47.66
COCCOC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310875	1	52	0.0	-67.94	412.57	8.80	-59.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCOC3)C[C@H]2C1	REAL300005310876	0	51	0.0	-72.49	370.09	7.66	-64.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCOC3)C[C@H]2C1	REAL300005310876	1	51	0.0	-65.56	370.83	7.63	-57.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCC3=CC=CC=C34)C[C@H]2C1	REAL300005310877	0	52	0.0	-64.71	385.46	11.44	-53.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCC3=CC=CC=C34)C[C@H]2C1	REAL300005310877	1	52	0.0	-68.83	385.70	11.37	-57.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCS(=O)(=O)CC4)C[C@H]2C1	REAL300005310878	0	51	0.0	-83.36	388.80	5.84	-77.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCS(=O)(=O)CC4)C[C@H]2C1	REAL300005310878	1	51	0.0	-70.62	387.24	5.84	-64.78
CCSC1=CC(Cl)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310879	0	48	0.0	-69.24	384.60	10.32	-58.92
CCSC1=CC(Cl)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310879	1	48	0.0	-51.91	380.90	10.27	-41.64
CC(C)CC(C)(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310880	0	52	0.0	-73.55	354.30	8.40	-65.15
CC(C)CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310880	1	52	0.0	-60.59	350.33	8.64	-51.95
CCC1=CC=C(C(C)(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310881	0	56	0.0	-65.98	402.69	11.31	-54.67
CCC1=CC=C(C(C)(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005310881	1	56	0.0	-67.64	398.24	11.39	-56.25
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC(C)C)=C1	REAL300005310882	0	55	0.0	-73.42	407.24	9.15	-64.27
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC(C)C)=C1	REAL300005310882	1	55	0.0	-55.90	403.17	9.30	-46.60
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OCC2CC2)=C1	REAL300005310883	0	56	0.0	-74.18	420.24	10.10	-64.08
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OCC2CC2)=C1	REAL300005310883	1	56	0.0	-63.71	422.37	10.06	-53.65
CCC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300005310884	0	57	0.0	-64.79	422.51	10.27	-54.52
CCC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300005310884	1	57	0.0	-67.67	421.82	10.21	-57.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(S(C)(=O)=O)=C3)C[C@H]2C1	REAL300005310885	0	44	0.0	-62.53	360.99	4.49	-58.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(S(C)(=O)=O)=C3)C[C@H]2C1	REAL300005310885	1	44	0.0	-67.34	361.19	4.37	-62.97
COC1(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310886	0	48	0.0	-68.93	349.71	7.67	-61.26
COC1(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310886	1	48	0.0	-66.39	348.69	8.08	-58.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=N3)C[C@H]2C1	REAL300005310887	0	46	0.0	-71.36	352.38	8.11	-63.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=N3)C[C@H]2C1	REAL300005310887	1	46	0.0	-66.28	353.71	8.05	-58.23
CC1=NN(C)C2=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005310888	0	49	0.0	-73.15	373.75	7.71	-65.44
CC1=NN(C)C2=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005310888	1	49	0.0	-71.55	370.15	7.50	-64.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=NC=N4)N=C3)C[C@H]2C1	REAL300005310889	0	46	0.0	-57.35	361.13	9.76	-47.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=NC=N4)N=C3)C[C@H]2C1	REAL300005310889	1	46	0.0	-67.86	357.93	9.72	-58.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)(F)F)C=N3)C[C@H]2C1	REAL300005310890	0	43	0.0	-56.39	345.75	8.10	-48.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)(F)F)C=N3)C[C@H]2C1	REAL300005310890	1	43	0.0	-64.50	342.36	7.85	-56.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3N3C=CC=N3)C[C@H]2C1	REAL300005310891	0	47	0.0	-73.31	359.40	9.04	-64.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3N3C=CC=N3)C[C@H]2C1	REAL300005310891	1	47	0.0	-85.41	362.83	8.96	-76.45
CC1=NN(C)C(=O)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005310892	0	49	0.0	-87.67	374.39	6.50	-81.17
CC1=NN(C)C(=O)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005310892	1	49	0.0	-94.02	373.80	6.46	-87.56
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)NC(C(C)(C)C)=N1	REAL300005310893	0	55	0.0	-65.03	411.18	7.56	-57.47
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)NC(C(C)(C)C)=N1	REAL300005310893	1	55	0.0	-65.07	412.30	7.30	-57.77
CC1=CC=C([N+](=O)[O-])C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310894	0	46	0.0	-75.23	357.85	10.32	-64.91
CC1=CC=C([N+](=O)[O-])C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310894	1	46	0.0	-63.37	359.74	10.28	-53.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310895	0	46	0.0	-59.31	347.59	9.36	-49.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005310895	1	46	0.0	-70.09	347.06	9.34	-60.75
CCC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310896	0	47	0.0	-59.70	348.75	9.35	-50.35
CCC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310896	1	47	0.0	-66.81	345.54	9.14	-57.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C(F)=C3)C[C@H]2C1	REAL300005310897	0	44	0.0	-79.00	347.98	9.14	-69.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C(F)=C3)C[C@H]2C1	REAL300005310897	1	44	0.0	-64.89	348.46	9.15	-55.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C(F)C=CC=C3F)C[C@H]2C1	REAL300005310898	0	44	0.0	-74.71	347.42	9.12	-65.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C(F)C=CC=C3F)C[C@H]2C1	REAL300005310898	1	44	0.0	-66.00	344.84	9.25	-56.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC(Cl)=C4)=C3)C[C@H]2C1	REAL300005310899	0	47	0.0	-58.42	383.49	10.06	-48.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC(Cl)=C4)=C3)C[C@H]2C1	REAL300005310899	1	47	0.0	-66.43	382.31	9.88	-56.55
CC1=CC=CN=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310900	0	43	0.0	-72.31	331.68	6.89	-65.42
CC1=CC=CN=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310900	1	43	0.0	-62.40	318.30	7.90	-54.50
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310901	0	50	0.0	-58.78	390.06	9.98	-48.80
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310901	1	50	0.0	-67.56	389.38	9.98	-57.58
CC1=CC(C)=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005310902	0	53	0.0	-64.27	392.56	11.12	-53.15
CC1=CC(C)=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005310902	1	53	0.0	-66.52	389.71	10.88	-55.64
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310903	0	45	0.0	-65.35	344.85	7.33	-58.02
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005310903	1	45	0.0	-73.45	343.95	7.34	-66.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC(F)(F)F)C[C@H]2C1	REAL300005310904	0	45	0.0	-71.05	356.30	8.65	-62.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC(F)(F)F)C[C@H]2C1	REAL300005310904	1	45	0.0	-64.26	356.68	8.55	-55.71
CN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300005310905	0	51	0.0	-66.98	384.51	8.99	-57.99
CN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300005310905	1	51	0.0	-73.31	381.01	9.03	-64.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C(F)=C3)C[C@H]2C1	REAL300005310906	0	41	0.0	-66.15	329.72	8.48	-57.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C(F)=C3)C[C@H]2C1	REAL300005310906	1	41	0.0	-63.43	329.90	8.37	-55.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC4=CC=C(Cl)C=C34)C[C@H]2C1	REAL300005310907	0	47	0.0	-72.87	389.65	10.93	-61.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC4=CC=C(Cl)C=C34)C[C@H]2C1	REAL300005310907	1	47	0.0	-67.32	391.22	10.89	-56.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3Cl)C[C@H]2C1	REAL300005310908	0	40	0.0	-67.96	320.63	6.79	-61.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3Cl)C[C@H]2C1	REAL300005310908	1	40	0.0	-61.36	321.00	6.68	-54.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3C(F)(F)F)C[C@H]2C1	REAL300005310909	0	43	0.0	-91.08	337.56	7.27	-83.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3C(F)(F)F)C[C@H]2C1	REAL300005310909	1	43	0.0	-80.98	340.97	7.19	-73.79
CC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Br	REAL300005310910	0	44	0.0	-54.94	345.05	9.31	-45.63
CC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Br	REAL300005310910	1	44	0.0	-60.89	347.57	9.12	-51.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(F)=C3F)C[C@H]2C1	REAL300005310911	0	44	0.0	-73.68	349.69	9.18	-64.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(F)=C3F)C[C@H]2C1	REAL300005310911	1	44	0.0	-64.17	349.45	9.12	-55.05
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Br)=C1	REAL300005310912	0	44	0.0	-58.97	350.41	9.64	-49.33
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Br)=C1	REAL300005310912	1	44	0.0	-62.84	351.58	9.23	-53.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005310913	0	44	0.0	-69.41	350.34	9.18	-60.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005310913	1	44	0.0	-72.23	349.63	9.13	-63.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OC(F)(F)F)=C3)C[C@H]2C1	REAL300005310914	0	45	0.0	-80.24	354.61	7.75	-72.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OC(F)(F)F)=C3)C[C@H]2C1	REAL300005310914	1	45	0.0	-75.26	354.40	7.82	-67.44
CC1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310915	0	50	0.0	-45.23	348.07	9.12	-36.11
CC1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310915	1	50	0.0	-69.25	355.81	8.93	-60.32
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310916	0	45	0.0	-65.83	352.44	7.50	-58.33
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310916	1	45	0.0	-65.11	351.42	7.50	-57.61
CC(=O)C1=CNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310917	0	44	0.0	-74.55	339.96	6.83	-67.72
CC(=O)C1=CNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310917	1	44	0.0	-85.90	337.41	6.75	-79.15
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310918	0	50	0.0	-79.91	391.30	9.50	-70.41
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310918	1	50	0.0	-71.39	394.30	9.42	-61.97
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310919	0	53	0.0	-82.94	398.57	10.44	-72.50
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310919	1	53	0.0	-73.92	402.01	10.38	-63.54
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C2C=NN(C(C)C)C2=N1	REAL300005310920	0	55	0.0	-69.06	416.07	9.36	-59.70
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C2C=NN(C(C)C)C2=N1	REAL300005310920	1	55	0.0	-63.06	416.55	9.27	-53.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCC5=C4C3=CC=C5)C[C@H]2C1	REAL300005310921	0	51	0.0	-82.64	377.70	11.35	-71.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCC5=C4C3=CC=C5)C[C@H]2C1	REAL300005310921	1	51	0.0	-78.88	375.78	11.24	-67.64
COC1=CC2=NC(C)=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005310922	0	53	0.0	-70.20	401.80	8.32	-61.88
COC1=CC2=NC(C)=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005310922	1	53	0.0	-63.04	397.85	8.46	-54.58
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005310923	0	54	0.0	-66.46	404.63	7.17	-59.29
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005310923	1	54	0.0	-64.51	406.70	6.78	-57.73
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C=NN(C(C)C)C2=N1	REAL300005310924	0	55	0.0	-73.44	416.56	9.27	-64.17
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C=NN(C(C)C)C2=N1	REAL300005310924	1	55	0.0	-63.13	419.95	9.24	-53.89
COC1=CC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C2C=C1	REAL300005310925	0	50	0.0	-63.02	380.50	8.52	-54.50
COC1=CC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C2C=C1	REAL300005310925	1	50	0.0	-67.65	382.59	8.43	-59.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=C(Cl)C=C4)=C3)C[C@H]2C1	REAL300005310926	0	47	0.0	-67.91	384.05	10.14	-57.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=C(Cl)C=C4)=C3)C[C@H]2C1	REAL300005310926	1	47	0.0	-64.53	385.75	9.98	-54.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC4=CC=CN=C43)C[C@H]2C1	REAL300005310927	0	49	0.0	-76.11	377.95	9.62	-66.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC4=CC=CN=C43)C[C@H]2C1	REAL300005310927	1	49	0.0	-71.47	375.65	9.50	-61.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CC5=C4C=CC=C5)N3)C[C@H]2C1	REAL300005310928	0	51	0.0	-62.74	387.18	11.06	-51.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CC5=C4C=CC=C5)N3)C[C@H]2C1	REAL300005310928	1	51	0.0	-75.21	387.64	10.73	-64.48
COC1=CC=C(SC)C(OC)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310929	0	53	0.0	-65.04	417.97	8.11	-56.93
COC1=CC=C(SC)C(OC)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310929	1	53	0.0	-76.48	417.33	8.11	-68.37
CCS(=O)(=O)C1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310930	0	53	0.0	-77.04	420.62	7.49	-69.55
CCS(=O)(=O)C1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310930	1	53	0.0	-78.44	416.36	7.59	-70.85
CC1=CC(C)=C(Br)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310931	0	47	0.0	-60.06	369.43	9.87	-50.19
CC1=CC(C)=C(Br)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310931	1	47	0.0	-63.29	369.77	9.78	-53.51
CC1=CC(C)=NN1C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005310932	0	53	0.0	-55.88	405.42	9.93	-45.95
CC1=CC(C)=NN1C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005310932	1	53	0.0	-68.01	402.94	9.82	-58.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310933	0	54	0.0	-54.86	418.98	8.63	-46.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310933	1	54	0.0	-68.25	416.41	8.57	-59.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3OCC(F)(F)F)C[C@H]2C1	REAL300005310934	0	47	0.0	-86.31	377.49	7.04	-79.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3OCC(F)(F)F)C[C@H]2C1	REAL300005310934	1	47	0.0	-68.95	375.41	6.67	-62.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310935	0	51	0.0	-57.40	397.69	8.40	-49.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005310935	1	51	0.0	-69.34	393.68	8.25	-61.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3Br)C[C@H]2C1	REAL300005310936	0	45	0.0	-67.98	367.84	9.66	-58.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3Br)C[C@H]2C1	REAL300005310936	1	45	0.0	-70.77	367.03	9.60	-61.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CC=C4)C4=C3N=CC=C4)C[C@H]2C1	REAL300005310937	0	52	0.0	-78.95	393.21	10.79	-68.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CC=C4)C4=C3N=CC=C4)C[C@H]2C1	REAL300005310937	1	52	0.0	-66.60	395.07	10.76	-55.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C4=CC=CN=C34)C[C@H]2C1	REAL300005310938	0	46	0.0	-84.55	364.87	9.06	-75.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C4=CC=CN=C34)C[C@H]2C1	REAL300005310938	1	46	0.0	-81.87	364.62	9.15	-72.72
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005310939	0	55	0.0	-56.77	419.80	10.42	-46.35
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005310939	1	55	0.0	-68.71	415.79	10.26	-58.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)COC3=CC=CC=C3)C[C@H]2C1	REAL300005310940	0	52	0.0	-64.65	403.67	7.45	-57.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC(=O)COC3=CC=CC=C3)C[C@H]2C1	REAL300005310940	1	52	0.0	-67.37	405.76	7.37	-60.00
CC(NC(=O)C1=CC=CO1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310941	0	48	0.0	-53.00	375.35	5.59	-47.41
CC(NC(=O)C1=CC=CO1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310941	1	48	0.0	-70.34	374.59	5.41	-64.93
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1C	REAL300005310942	0	58	0.0	-52.51	432.26	12.90	-39.61
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1C	REAL300005310942	1	58	0.0	-72.56	433.54	12.94	-59.62
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=C1C=CC1=C2C=CC=C1	REAL300005310943	0	53	0.0	-71.42	403.62	11.77	-59.65
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=C1C=CC1=C2C=CC=C1	REAL300005310943	1	53	0.0	-67.11	405.40	11.65	-55.46
CC1=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C(C)N=C2C=C1	REAL300005310944	0	52	0.0	-59.88	392.31	9.67	-50.21
CC1=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C(C)N=C2C=C1	REAL300005310944	1	52	0.0	-63.82	392.59	9.58	-54.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNS(=O)(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005310945	0	52	0.0	-80.44	412.94	5.42	-75.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNS(=O)(=O)C3=CC=CC=C3)C[C@H]2C1	REAL300005310945	1	52	0.0	-76.84	413.13	5.47	-71.37
CCCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005310946	0	57	0.0	-65.52	426.36	11.05	-54.47
CCCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005310946	1	57	0.0	-62.36	426.77	11.00	-51.36
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=C1C(=O)CC(C)(C)C2	REAL300005310947	0	57	0.0	-70.83	423.67	9.07	-61.76
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=C1C(=O)CC(C)(C)C2	REAL300005310947	1	57	0.0	-76.30	414.11	9.33	-66.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OC4=CC=CC=C4NC3=O)C[C@H]2C1	REAL300005310948	0	50	0.0	-64.77	386.78	7.15	-57.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OC4=CC=CC=C4NC3=O)C[C@H]2C1	REAL300005310948	1	50	0.0	-70.05	385.91	7.10	-62.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NC4=CC=CC=C43)C[C@H]2C1	REAL300005310949	0	53	0.0	-69.42	396.62	10.38	-59.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NC4=CC=CC=C43)C[C@H]2C1	REAL300005310949	1	53	0.0	-66.02	395.70	10.25	-55.77
CC(C)C1=NC2=CC=CC=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310950	0	55	0.0	-82.13	406.85	10.17	-71.96
CC(C)C1=NC2=CC=CC=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005310950	1	55	0.0	-63.43	409.68	10.14	-53.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCS3(=O)=O)C[C@H]2C1	REAL300005310951	0	47	0.0	-81.53	353.63	5.74	-75.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCS3(=O)=O)C[C@H]2C1	REAL300005310951	1	47	0.0	-84.68	357.98	4.59	-80.09
CC(=O)C1=C(C)NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C(C)C	REAL300005310952	0	56	0.0	-68.70	419.90	8.73	-59.97
CC(=O)C1=C(C)NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C(C)C	REAL300005310952	1	56	0.0	-75.01	408.74	9.02	-65.99
CC1=NOC(C)=C1C(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310953	0	52	0.0	-63.45	386.09	8.98	-54.47
CC1=NOC(C)=C1C(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310953	1	52	0.0	-69.12	385.79	8.91	-60.21
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300005310954	0	50	0.0	-58.18	387.44	8.14	-50.04
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300005310954	1	50	0.0	-68.47	387.72	8.01	-60.46
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310955	0	57	0.0	-77.03	434.82	10.78	-66.25
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310955	1	57	0.0	-75.59	436.96	10.71	-64.88
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1CCOCC1	REAL300005310956	0	55	0.0	-56.24	404.59	7.30	-48.94
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4CCOC4)=C3)C[C@H]2C1	REAL300005310965	0	52	0.0	-64.64	382.04	8.53	-56.11
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCN4N=C3)C[C@H]2C1	REAL300005310967	0	45	0.0	-67.24	336.68	6.59	-60.65
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COC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCC1	REAL300005310969	1	51	0.0	-65.94	346.76	7.34	-58.60
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CC[C@H]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310972	0	53	0.0	-72.69	377.31	9.77	-62.92
CC[C@H]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005310972	1	53	0.0	-61.44	371.75	9.53	-51.91
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C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(F)F)=C3)C[C@H]2C1	REAL300005310973	1	44	0.0	-82.02	342.57	8.95	-73.07
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C(F)(F)F)=N3)C[C@H]2C1	REAL300005310977	0	40	0.0	-53.74	337.89	6.89	-46.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C(F)(F)F)=N3)C[C@H]2C1	REAL300005310977	1	40	0.0	-64.82	334.76	6.67	-58.15
CC(CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310978	0	53	0.0	-74.97	393.97	11.00	-63.97
CC(CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005310978	1	53	0.0	-70.96	394.16	11.06	-59.90
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(F)(F)F)N=C3)C[C@H]2C1	REAL300005310980	0	42	0.0	-58.82	337.33	6.62	-52.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(F)(F)F)N=C3)C[C@H]2C1	REAL300005310980	1	42	0.0	-65.54	334.36	6.10	-59.44
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)SC=N3)C[C@H]2C1	REAL300005310982	0	40	0.0	-75.82	330.57	7.09	-68.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)SC=N3)C[C@H]2C1	REAL300005310982	1	40	0.0	-65.23	326.21	7.17	-58.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=CC=C3)C3CC3)C[C@H]2C1	REAL300005310983	0	51	0.0	-72.00	385.87	10.99	-61.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=CC=C3)C3CC3)C[C@H]2C1	REAL300005310983	1	51	0.0	-68.67	386.99	10.90	-57.77
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=C(F)C=CC=C1F	REAL300005310984	0	47	0.0	-60.61	358.05	9.33	-51.28
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=C(F)C=CC=C1F	REAL300005310984	1	47	0.0	-66.78	356.53	9.22	-57.56
COCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310985	0	48	0.0	-77.87	349.71	6.59	-71.28
COCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310985	1	48	0.0	-68.80	350.26	6.53	-62.27
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CO1	REAL300005310986	0	44	0.0	-64.35	329.97	7.61	-56.74
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CO1	REAL300005310986	1	44	0.0	-67.25	330.24	7.51	-59.74
C=CCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310987	0	48	0.0	-60.51	344.62	8.80	-51.71
C=CCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005310987	1	48	0.0	-71.32	348.25	8.60	-62.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC=C(Cl)C=C34)C[C@H]2C1	REAL300005310988	0	48	0.0	-68.36	384.34	9.62	-58.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC=C(Cl)C=C34)C[C@H]2C1	REAL300005310988	1	48	0.0	-63.02	385.35	9.60	-53.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCOC3)C[C@H]2C1	REAL300005310989	0	48	0.0	-75.91	352.27	6.86	-69.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCOC3)C[C@H]2C1	REAL300005310989	1	48	0.0	-65.36	354.50	6.92	-58.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NO3)C[C@H]2C1	REAL300005310990	0	44	0.0	-67.04	339.52	7.77	-59.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NO3)C[C@H]2C1	REAL300005310990	1	44	0.0	-63.38	341.40	7.67	-55.71
CC(CC1=CC=CC=C1Cl)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310991	0	50	0.0	-59.83	391.13	10.69	-49.14
CC(CC1=CC=CC=C1Cl)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005310991	1	50	0.0	-62.03	383.66	10.38	-51.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Cl)S3)C[C@H]2C1	REAL300005310992	0	41	0.0	-66.64	346.17	8.87	-57.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Cl)S3)C[C@H]2C1	REAL300005310992	1	41	0.0	-67.41	341.33	8.88	-58.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4F)CC3)C[C@H]2C1	REAL300005310993	0	51	0.0	-64.67	388.89	10.70	-53.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4F)CC3)C[C@H]2C1	REAL300005310993	1	51	0.0	-77.28	375.52	10.18	-67.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3CCOCC3)C[C@H]2C1	REAL300005310994	0	54	0.0	-73.41	391.61	8.43	-64.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3CCOCC3)C[C@H]2C1	REAL300005310994	1	54	0.0	-70.24	391.78	8.48	-61.76
COC1=CC=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1F	REAL300005310995	0	51	0.0	-79.14	392.96	9.22	-69.92
COC1=CC=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1F	REAL300005310995	1	51	0.0	-76.87	393.16	9.26	-67.61
CCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCC1	REAL300005310996	0	53	0.0	-67.44	356.90	9.03	-58.41
CCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCC1	REAL300005310996	1	53	0.0	-63.11	356.12	8.86	-54.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC(C)(C)C3)C[C@H]2C1	REAL300005310997	0	53	0.0	-66.45	366.17	9.18	-57.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC(C)(C)C3)C[C@H]2C1	REAL300005310997	1	53	0.0	-69.49	373.94	9.37	-60.12
CC1=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=C1	REAL300005310998	0	51	0.0	-65.52	387.48	10.90	-54.62
CC1=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=C1	REAL300005310998	1	51	0.0	-64.76	389.63	10.83	-53.93
CCOC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005310999	0	51	0.0	-69.19	363.81	7.99	-61.20
CCOC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005310999	1	51	0.0	-63.76	355.55	7.85	-55.91
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CO1	REAL300005311000	0	47	0.0	-64.43	350.10	8.25	-56.18
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CO1	REAL300005311000	1	47	0.0	-71.31	349.78	8.25	-63.06
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005311001	0	50	0.0	-66.16	380.95	10.27	-55.89
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005311001	1	50	0.0	-68.43	382.06	10.34	-58.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCC3(C)C)C[C@H]2C1	REAL300005311002	0	56	0.0	-72.78	383.40	9.96	-62.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCC3(C)C)C[C@H]2C1	REAL300005311002	1	56	0.0	-64.58	384.07	9.92	-54.66
COCC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311003	0	51	0.0	-64.74	393.56	8.80	-55.94
COCC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311003	1	51	0.0	-71.67	390.71	8.70	-62.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=CCCC4=C3)C[C@H]2C1	REAL300005311004	0	49	0.0	-64.19	362.26	10.27	-53.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=CCCC4=C3)C[C@H]2C1	REAL300005311004	1	49	0.0	-68.31	362.70	10.18	-58.13
CSC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005311005	0	45	0.0	-64.72	355.09	9.02	-55.70
CSC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005311005	1	45	0.0	-73.66	354.19	9.03	-64.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]2C1	REAL300005311006	0	46	0.0	-67.11	344.94	8.19	-58.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]2C1	REAL300005311006	1	46	0.0	-62.99	346.25	8.16	-54.83
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311007	0	54	0.0	-79.40	404.45	11.71	-67.69
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311007	1	54	0.0	-67.28	400.09	11.71	-55.57
COC1=CC=C(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1	REAL300005311008	0	58	0.0	-76.78	437.49	9.32	-67.46
COC1=CC=C(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1	REAL300005311008	1	58	0.0	-70.53	438.82	9.27	-61.26
COC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C(F)C=C1	REAL300005311009	0	49	0.0	-59.66	377.28	7.81	-51.85
COC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C(F)C=C1	REAL300005311009	1	49	0.0	-67.52	377.71	7.70	-59.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCOC3)C[C@H]2C1	REAL300005311010	0	48	0.0	-51.07	332.19	6.14	-44.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCOC3)C[C@H]2C1	REAL300005311010	1	48	0.0	-67.01	335.13	6.92	-60.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]2C1	REAL300005311011	0	47	0.0	-58.04	351.17	4.80	-53.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]2C1	REAL300005311011	1	47	0.0	-70.58	342.03	4.23	-66.35
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NC(C(F)(F)F)=N1	REAL300005311012	0	45	0.0	-52.15	364.16	7.82	-44.33
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NC(C(F)(F)F)=N1	REAL300005311012	1	45	0.0	-63.98	361.05	7.62	-56.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=COC=C3)C[C@H]2C1	REAL300005311013	0	44	0.0	-62.58	339.17	8.23	-54.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=COC=C3)C[C@H]2C1	REAL300005311013	1	44	0.0	-70.43	339.12	7.88	-62.55
CC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Br	REAL300005311014	0	47	0.0	-73.81	374.77	10.20	-63.61
CC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Br	REAL300005311014	1	47	0.0	-65.29	375.25	10.20	-55.09
CSC(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311015	0	44	0.0	-64.82	339.03	7.89	-56.93
CSC(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311015	1	44	0.0	-65.91	335.19	7.74	-58.17
COC1=CC=C(F)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC	REAL300005311016	0	49	0.0	-63.01	385.48	7.66	-55.35
COC1=CC=C(F)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC	REAL300005311016	1	49	0.0	-73.94	384.30	7.66	-66.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311017	0	53	0.0	-77.25	418.75	11.68	-65.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311017	1	53	0.0	-73.43	418.94	11.72	-61.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC(F)=CC=C3F)C[C@H]2C1	REAL300005311018	0	50	0.0	-76.44	391.66	10.76	-65.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC(F)=CC=C3F)C[C@H]2C1	REAL300005311018	1	50	0.0	-72.76	391.85	10.81	-61.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(C(F)(F)F)C=C4)CC3)C[C@H]2C1	REAL300005311019	0	51	0.0	-59.72	400.17	11.32	-48.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(C(F)(F)F)C=C4)CC3)C[C@H]2C1	REAL300005311019	1	51	0.0	-61.60	401.57	10.95	-50.65
CCCOC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311020	0	54	0.0	-66.39	411.31	10.11	-56.28
CCCOC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311020	1	54	0.0	-69.13	407.05	10.20	-58.93
CC(C)CC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311021	0	59	0.0	-71.72	439.40	12.56	-59.16
CC(C)CC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311021	1	59	0.0	-68.63	439.54	12.61	-56.02
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OCC(C)C)=C1	REAL300005311022	0	58	0.0	-73.44	430.16	9.99	-63.45
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OCC(C)C)=C1	REAL300005311022	1	58	0.0	-63.29	432.07	9.95	-53.34
CCCN1C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005311023	0	54	0.0	-75.46	402.13	11.23	-64.23
CCCN1C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005311023	1	54	0.0	-62.44	401.86	11.15	-51.29
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311024	0	53	0.0	-77.06	410.62	5.45	-71.61
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311024	1	53	0.0	-63.23	406.01	5.49	-57.74
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300005311025	0	50	0.0	-56.14	379.26	8.47	-47.67
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300005311025	1	50	0.0	-65.71	381.79	8.59	-57.12
CCCOC1=CC(OC)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311026	0	55	0.0	-73.57	410.05	9.32	-64.25
CCCOC1=CC(OC)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311026	1	55	0.0	-63.46	411.97	9.28	-54.18
CCCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005311027	0	52	0.0	-61.77	365.19	9.10	-52.67
CCCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005311027	1	52	0.0	-66.43	363.59	8.82	-57.61
COC1=CC=C(CC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005311028	0	58	0.0	-67.15	426.60	9.24	-57.91
COC1=CC=C(CC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005311028	1	58	0.0	-65.44	434.62	9.38	-56.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(Cl)C=C3F)C[C@H]2C1	REAL300005311029	0	50	0.0	-55.17	370.45	10.47	-44.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(Cl)C=C3F)C[C@H]2C1	REAL300005311029	1	50	0.0	-64.94	370.62	10.31	-54.63
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311030	0	45	0.0	-65.11	369.13	9.26	-55.85
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311030	1	45	0.0	-71.60	370.33	9.33	-62.27
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311031	0	55	0.0	-72.15	420.39	12.32	-59.83
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311031	1	55	0.0	-75.74	417.54	12.13	-63.61
CCC(C)(C)C1CCC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311032	0	65	0.0	-61.84	433.93	11.61	-50.23
CCC(C)(C)C1CCC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311032	1	65	0.0	-69.38	432.82	11.66	-57.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4Cl)CC3)C[C@H]2C1	REAL300005311033	0	51	0.0	-63.75	393.49	10.93	-52.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4Cl)CC3)C[C@H]2C1	REAL300005311033	1	51	0.0	-73.76	382.28	10.51	-63.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3S(C)(=O)=O)C[C@H]2C1	REAL300005311034	0	50	0.0	-80.00	383.36	7.14	-72.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3S(C)(=O)=O)C[C@H]2C1	REAL300005311034	1	50	0.0	-74.55	386.00	7.01	-67.54
COC1=CC=C(OC)C(C2CC2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311035	0	56	0.0	-65.36	414.27	9.31	-56.05
COC1=CC=C(OC)C(C2CC2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311035	1	56	0.0	-72.97	419.77	8.86	-64.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC(F)=C4)CCC3)C[C@H]2C1	REAL300005311036	0	54	0.0	-69.25	401.13	11.22	-58.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC(F)=C4)CCC3)C[C@H]2C1	REAL300005311036	1	54	0.0	-73.67	400.31	10.97	-62.70
CCC1=CC=C2OC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005311037	0	50	0.0	-82.74	382.33	9.95	-72.79
CCC1=CC=C2OC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005311037	1	50	0.0	-77.50	378.58	9.83	-67.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CCC(F)(F)F)C[C@H]2C1	REAL300005311038	0	50	0.0	-78.62	383.99	10.50	-68.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CCC(F)(F)F)C[C@H]2C1	REAL300005311038	1	50	0.0	-65.35	389.40	10.45	-54.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)C3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005311039	0	47	0.0	-60.14	379.33	10.05	-50.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)C3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005311039	1	47	0.0	-72.37	379.03	9.96	-62.41
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005311040	0	52	0.0	-64.11	394.74	10.45	-53.66
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005311040	1	52	0.0	-66.59	394.34	10.40	-56.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)COCC3=CC=CC=C3)C[C@H]2C1	REAL300005311041	0	57	0.0	-52.16	419.25	10.05	-42.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)COCC3=CC=CC=C3)C[C@H]2C1	REAL300005311041	1	57	0.0	-66.34	419.15	9.94	-56.40
CC1=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300005311042	0	54	0.0	-70.53	402.07	11.04	-59.49
CC1=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300005311042	1	54	0.0	-69.82	415.05	11.31	-58.51
CC1=CC2=C(C=C1C)C(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)CO2	REAL300005311043	0	52	0.0	-79.23	384.69	9.08	-70.15
CC1=CC2=C(C=C1C)C(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)CO2	REAL300005311043	1	52	0.0	-73.10	385.88	9.05	-64.05
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC=C1	REAL300005311044	0	47	0.0	-59.23	353.07	8.43	-50.80
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC=C1	REAL300005311044	1	47	0.0	-67.10	353.50	8.32	-58.78
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311045	0	46	0.0	-73.98	357.01	9.82	-64.16
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311045	1	46	0.0	-67.50	358.64	9.73	-57.77
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005311046	0	46	0.0	-57.09	351.07	8.04	-49.05
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005311046	1	46	0.0	-66.31	349.89	7.86	-58.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(F)C(Cl)=C3)C[C@H]2C1	REAL300005311047	0	41	0.0	-65.95	329.71	8.46	-57.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(F)C(Cl)=C3)C[C@H]2C1	REAL300005311047	1	41	0.0	-67.43	329.90	8.36	-59.07
COC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005311048	0	47	0.0	-84.01	367.62	8.71	-75.30
COC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005311048	1	47	0.0	-97.08	367.67	8.73	-88.35
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Br	REAL300005311049	0	44	0.0	-62.60	346.60	9.10	-53.50
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Br	REAL300005311049	1	44	0.0	-72.01	347.87	9.20	-62.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C=C3Cl)C[C@H]2C1	REAL300005311050	0	44	0.0	-67.37	358.82	9.57	-57.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C=C3Cl)C[C@H]2C1	REAL300005311050	1	44	0.0	-70.00	358.09	9.52	-60.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(OC(F)(F)F)=C3)C[C@H]2C1	REAL300005311051	0	48	0.0	-67.10	384.47	8.88	-58.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(OC(F)(F)F)=C3)C[C@H]2C1	REAL300005311051	1	48	0.0	-68.34	380.19	8.97	-59.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(F)=CC=C3Br)C[C@H]2C1	REAL300005311052	0	44	0.0	-72.42	360.95	9.62	-62.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(F)=CC=C3Br)C[C@H]2C1	REAL300005311052	1	44	0.0	-66.40	358.18	9.69	-56.71
CC1=C(Cl)C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311053	0	44	0.0	-78.08	341.71	9.06	-69.02
CC1=C(Cl)C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311053	1	44	0.0	-74.56	341.83	9.13	-65.43
COC1=CC=C2OCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=C1	REAL300005311054	0	53	0.0	-74.95	392.58	7.91	-67.04
COC1=CC=C2OCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=C1	REAL300005311054	1	53	0.0	-68.75	397.54	7.97	-60.78
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=C1F	REAL300005311055	0	47	0.0	-67.37	354.74	9.27	-58.10
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=C1F	REAL300005311055	1	47	0.0	-60.24	356.19	9.24	-51.00
CCC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311056	0	48	0.0	-62.16	370.61	9.37	-52.79
CCC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311056	1	48	0.0	-63.85	372.76	9.30	-54.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311057	0	44	0.0	-60.56	362.48	9.44	-51.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311057	1	44	0.0	-64.39	363.11	9.35	-55.04
CCC(CC1=CC=CC=C1C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311058	0	56	0.0	-63.82	407.09	11.27	-52.55
CCC(CC1=CC=CC=C1C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311058	1	56	0.0	-65.02	400.29	11.16	-53.86
CC(=O)NC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311059	0	51	0.0	-69.20	394.82	7.97	-61.23
CC(=O)NC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311059	1	51	0.0	-70.37	390.56	8.07	-62.30
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(Br)O1	REAL300005311060	0	41	0.0	-64.38	328.57	7.55	-56.83
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(Br)O1	REAL300005311060	1	41	0.0	-67.40	330.09	7.57	-59.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC(F)C3)C[C@H]2C1	REAL300005311061	0	47	0.0	-56.10	340.61	8.39	-47.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC(F)C3)C[C@H]2C1	REAL300005311061	1	47	0.0	-67.47	341.32	8.41	-59.06
C=CCCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005311062	0	47	0.0	-54.94	366.81	7.03	-47.91
C=CCCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005311062	1	47	0.0	-65.65	367.24	6.93	-58.72
C=CCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005311063	0	52	0.0	-77.01	364.87	7.21	-69.80
C=CCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005311063	1	52	0.0	-66.26	363.07	7.10	-59.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(F)(F)F)C[C@H]2C1	REAL300005311064	0	54	0.0	-70.27	384.56	9.95	-60.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(F)(F)F)C[C@H]2C1	REAL300005311064	1	54	0.0	-59.11	386.99	9.92	-49.19
CC1CCCCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311065	0	50	0.0	-66.00	355.53	9.00	-57.00
CC1CCCCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311065	1	50	0.0	-67.83	341.87	8.62	-59.21
CC1=C(Cl)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005311066	0	44	0.0	-75.83	349.18	7.40	-68.43
CC1=C(Cl)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005311066	1	44	0.0	-70.59	350.83	7.25	-63.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4CC4C3)C[C@H]2C1	REAL300005311067	0	48	0.0	-62.75	345.04	9.10	-53.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4CC4C3)C[C@H]2C1	REAL300005311067	1	48	0.0	-68.53	346.76	9.05	-59.48
CC1=C(F)C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311068	0	44	0.0	-79.30	333.46	8.68	-70.62
CC1=C(F)C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311068	1	44	0.0	-75.64	333.16	8.74	-66.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(C)(=O)=O)S3)C[C@H]2C1	REAL300005311069	0	44	0.0	-83.40	360.69	4.48	-78.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(C)(=O)=O)S3)C[C@H]2C1	REAL300005311069	1	44	0.0	-77.92	361.62	4.53	-73.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)C=N3)C[C@H]2C1	REAL300005311070	0	52	0.0	-57.41	383.12	9.39	-48.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)C=N3)C[C@H]2C1	REAL300005311070	1	52	0.0	-65.65	383.53	9.26	-56.39
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311071	0	49	0.0	-66.87	371.53	9.81	-57.06
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311071	1	49	0.0	-65.39	372.51	9.85	-55.54
CN1N=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005311072	0	50	0.0	-71.72	388.57	8.94	-62.78
CN1N=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005311072	1	50	0.0	-75.03	387.75	8.90	-66.13
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1N1C=CC=N1	REAL300005311073	0	51	0.0	-87.12	380.72	10.06	-77.06
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1N1C=CC=N1	REAL300005311073	1	51	0.0	-72.36	380.86	9.94	-62.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4=CC=NC=C4)C=C3)C[C@H]2C1	REAL300005311074	0	54	0.0	-74.37	415.38	9.52	-64.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4=CC=NC=C4)C=C3)C[C@H]2C1	REAL300005311074	1	54	0.0	-73.03	409.88	9.23	-63.80
CC1=C(Br)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311075	0	41	0.0	-59.59	341.17	8.37	-51.22
CC1=C(Br)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311075	1	41	0.0	-58.87	337.88	8.56	-50.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC3(F)F)C[C@H]2C1	REAL300005311076	0	41	0.0	-68.93	313.51	7.20	-61.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC3(F)F)C[C@H]2C1	REAL300005311076	1	41	0.0	-72.79	319.14	7.32	-65.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(OC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005311077	0	49	0.0	-67.19	370.74	9.18	-58.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(OC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005311077	1	49	0.0	-60.48	371.72	9.23	-51.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=C(F)C=CC=C4F)CCC3)C[C@H]2C1	REAL300005311078	0	51	0.0	-74.73	378.66	10.23	-64.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=C(F)C=CC=C4F)CCC3)C[C@H]2C1	REAL300005311078	1	51	0.0	-64.30	377.13	10.18	-54.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CN=CC=C4C=C3)C[C@H]2C1	REAL300005311079	0	45	0.0	-69.94	346.95	7.50	-62.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CN=CC=C4C=C3)C[C@H]2C1	REAL300005311079	1	45	0.0	-66.22	348.12	7.36	-58.86
CC1=C2OC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300005311080	0	47	0.0	-69.57	360.50	9.17	-60.40
CC1=C2OC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300005311080	1	47	0.0	-77.18	357.10	9.08	-68.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(N4C=NN=C4)C=C3)C[C@H]2C1	REAL300005311081	0	50	0.0	-79.87	387.72	12.04	-67.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(N4C=NN=C4)C=C3)C[C@H]2C1	REAL300005311081	1	50	0.0	-74.85	389.23	12.01	-62.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC(OC(F)F)=C3)C[C@H]2C1	REAL300005311082	0	51	0.0	-63.58	397.69	9.85	-53.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC(OC(F)F)=C3)C[C@H]2C1	REAL300005311082	1	51	0.0	-70.47	397.64	9.51	-60.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4=C(F)C=CC=C4F)=N3)C[C@H]2C1	REAL300005311083	0	47	0.0	-71.83	377.21	7.98	-63.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4=C(F)C=CC=C4F)=N3)C[C@H]2C1	REAL300005311083	1	47	0.0	-69.34	379.39	7.79	-61.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4CCCC4=N3)C[C@H]2C1	REAL300005311084	0	45	0.0	-59.76	339.38	8.39	-51.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4CCCC4=N3)C[C@H]2C1	REAL300005311084	1	45	0.0	-71.90	336.26	8.14	-63.76
CC1=CSC(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311085	0	49	0.0	-76.31	386.28	8.36	-67.95
CC1=CSC(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311085	1	49	0.0	-69.62	387.60	8.32	-61.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=CC=C(F)C=C34)C[C@H]2C1	REAL300005311086	0	44	0.0	-84.95	345.87	8.58	-76.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=CC=C(F)C=C34)C[C@H]2C1	REAL300005311086	1	44	0.0	-78.83	342.10	8.47	-70.36
CC1CCN2N=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C1	REAL300005311087	0	51	0.0	-66.89	371.69	8.00	-58.89
CC1CCN2N=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C1	REAL300005311087	1	51	0.0	-67.72	372.11	7.87	-59.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC(Cl)=C4S3)C[C@H]2C1	REAL300005311088	0	44	0.0	-65.16	362.80	9.83	-55.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC(Cl)=C4S3)C[C@H]2C1	REAL300005311088	1	44	0.0	-67.84	362.23	9.84	-58.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NN=C3C3=CSC=C3)C[C@H]2C1	REAL300005311089	0	46	0.0	-76.22	372.54	6.97	-69.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NN=C3C3=CSC=C3)C[C@H]2C1	REAL300005311089	1	46	0.0	-82.63	373.00	6.94	-75.69
CN1N=C(C2CC2)N=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311090	0	50	0.0	-68.13	387.07	8.52	-59.61
CN1N=C(C2CC2)N=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311090	1	50	0.0	-73.86	385.55	8.56	-65.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC=NC=C43)C[C@H]2C1	REAL300005311091	0	46	0.0	-72.89	349.75	8.52	-64.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC=NC=C43)C[C@H]2C1	REAL300005311091	1	46	0.0	-82.36	348.24	8.49	-73.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C[C@H]2C1	REAL300005311092	0	52	0.0	-77.29	378.15	9.24	-68.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C[C@H]2C1	REAL300005311092	1	52	0.0	-83.36	387.89	9.32	-74.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCC4=CC=CC=C43)C[C@H]2C1	REAL300005311093	0	51	0.0	-64.63	370.19	10.17	-54.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCC4=CC=CC=C43)C[C@H]2C1	REAL300005311093	1	51	0.0	-66.52	368.12	10.08	-56.44
CC1=CC=C(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2)C=C1	REAL300005311094	0	54	0.0	-54.00	385.18	10.75	-43.25
CC1=CC=C(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2)C=C1	REAL300005311094	1	54	0.0	-67.12	393.80	10.87	-56.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4F)CCC3)C[C@H]2C1	REAL300005311095	0	51	0.0	-60.33	377.76	10.24	-50.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4F)CCC3)C[C@H]2C1	REAL300005311095	1	51	0.0	-68.41	369.38	10.27	-58.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC4=CC=C(F)C=C43)C[C@H]2C1	REAL300005311096	0	48	0.0	-75.36	376.09	10.57	-64.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC4=CC=C(F)C=C43)C[C@H]2C1	REAL300005311096	1	48	0.0	-66.31	373.81	10.68	-55.63
CC1=NC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C(Cl)C=C2C=C1	REAL300005311097	0	49	0.0	-63.50	389.95	9.76	-53.74
CC1=NC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C(Cl)C=C2C=C1	REAL300005311097	1	49	0.0	-68.73	390.23	9.66	-59.07
CSC1=CC=C(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311098	0	54	0.0	-76.77	419.91	11.68	-65.09
CSC1=CC=C(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311098	1	54	0.0	-72.08	420.10	11.73	-60.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCC3C3CC3)C[C@H]2C1	REAL300005311099	0	54	0.0	-61.36	375.26	10.20	-51.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCC3C3CC3)C[C@H]2C1	REAL300005311099	1	54	0.0	-64.11	381.64	10.15	-53.96
COCC1(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311100	0	48	0.0	-61.02	361.06	7.56	-53.46
COCC1(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311100	1	48	0.0	-68.52	358.53	7.06	-61.46
C=CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005311101	0	44	0.0	-55.06	345.30	6.27	-48.79
C=CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005311101	1	44	0.0	-67.38	342.19	6.07	-61.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4OCCCC4=C3)C[C@H]2C1	REAL300005311102	0	52	0.0	-65.84	392.17	9.72	-56.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4OCCCC4=C3)C[C@H]2C1	REAL300005311102	1	52	0.0	-68.68	387.89	9.81	-58.87
CC1CC(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311103	0	48	0.0	-77.01	341.31	8.10	-68.91
CC1CC(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311103	1	48	0.0	-68.32	346.20	8.15	-60.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COCCN3CC(F)(F)F)C[C@H]2C1	REAL300005311104	0	50	0.0	-63.65	379.67	5.01	-58.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COCCN3CC(F)(F)F)C[C@H]2C1	REAL300005311104	1	50	0.0	-66.29	365.53	4.28	-62.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C(C)(C)C)C=N3)C[C@H]2C1	REAL300005311105	0	49	0.0	-78.03	370.24	9.13	-68.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C(C)(C)C)C=N3)C[C@H]2C1	REAL300005311105	1	49	0.0	-69.02	370.50	9.03	-59.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C4C=CC=CN4N=C3)C[C@H]2C1	REAL300005311106	0	47	0.0	-82.90	363.02	8.82	-74.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C4C=CC=CN4N=C3)C[C@H]2C1	REAL300005311106	1	47	0.0	-74.45	361.99	8.98	-65.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCOCC4=C3)C[C@H]2C1	REAL300005311107	0	46	0.0	-73.75	347.20	5.62	-68.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCOCC4=C3)C[C@H]2C1	REAL300005311107	1	46	0.0	-69.18	348.74	5.46	-63.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=NC=NC=C4C3)C[C@H]2C1	REAL300005311108	0	49	0.0	-53.72	365.42	8.62	-45.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=NC=NC=C4C3)C[C@H]2C1	REAL300005311108	1	49	0.0	-72.05	361.47	8.48	-63.57
CCCC1=CC=C(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311109	0	59	0.0	-74.92	444.08	12.88	-62.04
CCCC1=CC=C(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311109	1	59	0.0	-71.13	444.27	12.93	-58.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005311110	0	50	0.0	-54.76	382.50	9.76	-45.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005311110	1	50	0.0	-70.58	379.30	9.72	-60.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(CC(F)(F)F)=C3)C[C@H]2C1	REAL300005311111	0	50	0.0	-64.08	399.47	10.85	-53.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(CC(F)(F)F)=C3)C[C@H]2C1	REAL300005311111	1	50	0.0	-67.13	398.85	10.81	-56.32
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1N1CCOCC1	REAL300005311112	0	57	0.0	-63.60	414.66	8.12	-55.48
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1N1CCOCC1	REAL300005311112	1	57	0.0	-68.44	414.85	7.99	-60.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CCC4)N=N3)C[C@H]2C1	REAL300005311113	0	47	0.0	-54.35	356.42	6.84	-47.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CCC4)N=N3)C[C@H]2C1	REAL300005311113	1	47	0.0	-67.19	353.30	6.64	-60.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C)CC3(F)Cl)C[C@H]2C1	REAL300005311114	0	44	0.0	-74.24	347.86	8.64	-65.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C)CC3(F)Cl)C[C@H]2C1	REAL300005311114	1	44	0.0	-67.21	344.47	8.43	-58.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C[C@H]2C1	REAL300005311115	0	53	0.0	-72.76	385.68	9.97	-62.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C[C@H]2C1	REAL300005311115	1	53	0.0	-67.00	387.45	9.92	-57.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005311116	0	46	0.0	-73.65	363.52	2.94	-70.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005311116	1	46	0.0	-75.88	358.02	2.67	-73.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(N)(=O)=O)O3)C[C@H]2C1	REAL300005311117	0	43	0.0	-64.08	348.92	1.39	-62.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(N)(=O)=O)O3)C[C@H]2C1	REAL300005311117	1	43	0.0	-74.10	347.80	1.23	-72.87
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005311118	0	45	0.0	-74.50	338.14	4.70	-69.80
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005311118	1	45	0.0	-60.83	338.21	4.66	-56.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C)CCCCC3)C[C@H]2C1	REAL300005311119	0	53	0.0	-71.03	364.61	9.59	-61.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C)CCCCC3)C[C@H]2C1	REAL300005311119	1	53	0.0	-63.31	361.99	9.72	-53.59
CC1=CC=CC(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N2C)=C1	REAL300005311120	0	55	0.0	-75.35	406.74	11.33	-64.02
CC1=CC=CC(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N2C)=C1	REAL300005311120	1	55	0.0	-71.71	405.81	11.33	-60.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CC=CC=C4C3)C[C@H]2C1	REAL300005311121	0	51	0.0	-73.23	372.20	10.48	-62.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CC=CC=C4C3)C[C@H]2C1	REAL300005311121	1	51	0.0	-69.46	371.66	10.50	-58.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCCC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005311122	0	51	0.0	-78.71	400.24	10.36	-68.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCCC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005311122	1	51	0.0	-73.13	401.37	10.32	-62.81
CC(COCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005311123	0	54	0.0	-77.80	410.74	10.83	-66.97
CC(COCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005311123	1	54	0.0	-67.58	410.59	10.76	-56.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@H]2C1	REAL300005311124	0	48	0.0	-74.20	356.78	9.54	-64.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@H]2C1	REAL300005311124	1	48	0.0	-65.37	357.99	9.54	-55.83
COCCN1C=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311125	0	48	0.0	-60.50	370.61	6.24	-54.26
COCCN1C=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311125	1	48	0.0	-69.31	371.05	6.14	-63.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C(O)C=CC=C43)C[C@H]2C1	REAL300005311126	0	52	0.0	-64.40	385.42	7.72	-56.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C(O)C=CC=C43)C[C@H]2C1	REAL300005311126	1	52	0.0	-70.44	381.85	7.82	-62.62
CCC1CCCCC1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311127	0	57	0.0	-64.29	411.08	10.52	-53.77
CCC1CCCCC1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311127	1	57	0.0	-67.68	407.51	10.64	-57.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCCCCC3)C[C@H]2C1	REAL300005311128	0	54	0.0	-64.26	383.79	10.37	-53.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCCCCC3)C[C@H]2C1	REAL300005311128	1	54	0.0	-63.85	385.99	10.31	-53.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCS(=O)(=O)N3)C[C@H]2C1	REAL300005311129	0	43	0.0	-68.88	336.20	1.62	-67.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCS(=O)(=O)N3)C[C@H]2C1	REAL300005311129	1	43	0.0	-73.31	332.23	1.56	-71.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@H]2C1	REAL300005311130	0	49	0.0	-75.11	347.83	9.21	-65.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@H]2C1	REAL300005311130	1	49	0.0	-68.30	346.86	9.10	-59.20
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1C	REAL300005311131	0	57	0.0	-66.96	423.75	11.24	-55.72
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1C	REAL300005311131	1	57	0.0	-67.98	423.01	11.10	-56.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=C(Cl)C=C4)C=C3)C[C@H]2C1	REAL300005311132	0	48	0.0	-59.10	388.12	10.24	-48.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC=C(Cl)C=C4)C=C3)C[C@H]2C1	REAL300005311132	1	48	0.0	-68.84	384.99	10.02	-58.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC(Cl)=C4)N=N3)C[C@H]2C1	REAL300005311133	0	47	0.0	-54.80	383.88	8.76	-46.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC(Cl)=C4)N=N3)C[C@H]2C1	REAL300005311133	1	47	0.0	-65.12	384.31	8.65	-56.47
CC1=NN(C(C)(C)C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311134	0	53	0.0	-64.59	391.27	8.40	-56.19
CC1=NN(C(C)(C)C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311134	1	53	0.0	-62.73	386.14	8.44	-54.29
COCCOC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311135	0	55	0.0	-76.39	421.78	8.57	-67.82
COCCOC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311135	1	55	0.0	-72.83	421.97	8.61	-64.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(N4C=NN=N4)CCCCC3)C[C@H]2C1	REAL300005311136	0	52	0.0	-46.49	369.05	8.36	-38.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(N4C=NN=N4)CCCCC3)C[C@H]2C1	REAL300005311136	1	52	0.0	-49.59	369.36	8.15	-41.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4Cl)CCC3)C[C@H]2C1	REAL300005311137	0	51	0.0	-57.08	383.33	10.56	-46.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4Cl)CCC3)C[C@H]2C1	REAL300005311137	1	51	0.0	-65.21	382.44	10.40	-54.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCC4(C)C)C[C@H]2C1	REAL300005311138	0	52	0.0	-71.48	388.21	9.07	-62.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCC4(C)C)C[C@H]2C1	REAL300005311138	1	52	0.0	-68.05	388.60	8.96	-59.09
CN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005311139	0	49	0.0	-58.74	367.81	7.45	-51.29
CN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005311139	1	49	0.0	-64.78	368.00	7.34	-57.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCCCO4)C[C@H]2C1	REAL300005311140	0	50	0.0	-72.81	373.25	8.69	-64.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCCCO4)C[C@H]2C1	REAL300005311140	1	50	0.0	-69.82	373.47	8.61	-61.21
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CN=C1	REAL300005311141	0	47	0.0	-65.46	352.66	9.16	-56.30
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CN=C1	REAL300005311141	1	47	0.0	-66.41	352.21	8.86	-57.55
CC1=NN=NN1C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311142	0	49	0.0	-61.03	378.82	8.04	-52.99
CC1=NN=NN1C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311142	1	49	0.0	-64.55	371.49	8.07	-56.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C4CCCCC4=C3)C[C@H]2C1	REAL300005311143	0	60	0.0	-75.41	442.39	13.15	-62.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C4CCCCC4=C3)C[C@H]2C1	REAL300005311143	1	60	0.0	-69.45	443.71	13.10	-56.35
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005311144	0	49	0.0	-57.71	367.02	8.98	-48.73
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005311144	1	49	0.0	-66.83	363.88	8.76	-58.07
CSC1=CC=CN=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311145	0	44	0.0	-61.03	341.65	8.06	-52.97
CSC1=CC=CN=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311145	1	44	0.0	-64.44	337.29	8.19	-56.25
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311146	0	57	0.0	-68.94	433.24	10.33	-58.61
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311146	1	57	0.0	-68.48	429.42	10.36	-58.12
CCN1C=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311147	0	47	0.0	-82.96	360.17	7.68	-75.28
CCN1C=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311147	1	47	0.0	-74.39	361.35	7.64	-66.75
CC1=CC=C(C2=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)C=C1C	REAL300005311148	0	53	0.0	-66.30	410.96	10.00	-56.30
CC1=CC=C(C2=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)C=C1C	REAL300005311148	1	53	0.0	-61.35	410.59	10.34	-51.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C4OC(F)(F)OC4=C3)C[C@H]2C1	REAL300005311149	0	50	0.0	-66.14	398.04	9.38	-56.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C4OC(F)(F)OC4=C3)C[C@H]2C1	REAL300005311149	1	50	0.0	-71.65	397.99	9.03	-62.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CC4(F)F)CC3)C[C@H]2C1	REAL300005311150	0	51	0.0	-77.38	371.85	9.65	-67.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CC4(F)F)CC3)C[C@H]2C1	REAL300005311150	1	51	0.0	-65.08	368.98	9.82	-55.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)F)C=C3F)C[C@H]2C1	REAL300005311151	0	44	0.0	-61.40	350.35	9.35	-52.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)F)C=C3F)C[C@H]2C1	REAL300005311151	1	44	0.0	-85.58	349.55	9.02	-76.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCC4=CC(Cl)=CC=C43)C[C@H]2C1	REAL300005311152	0	49	0.0	-65.87	389.59	9.75	-56.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCC4=CC(Cl)=CC=C43)C[C@H]2C1	REAL300005311152	1	49	0.0	-65.86	388.73	9.62	-56.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)(F)F)O3)C[C@H]2C1	REAL300005311153	0	45	0.0	-71.85	367.50	8.15	-63.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)(F)F)O3)C[C@H]2C1	REAL300005311153	1	45	0.0	-58.65	367.58	8.12	-50.53
CC1=C(C2=CC=CC=C2)SC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311154	0	51	0.0	-64.29	398.41	11.27	-53.02
CC1=C(C2=CC=CC=C2)SC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311154	1	51	0.0	-59.41	394.82	11.49	-47.92
CC1=NN(C(C)C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311155	0	50	0.0	-51.24	368.87	7.70	-43.54
CC1=NN(C(C)C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311155	1	50	0.0	-63.45	371.31	7.89	-55.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=C(Cl)C=CC=C3Cl)C[C@H]2C1	REAL300005311156	0	47	0.0	-72.55	386.30	10.72	-61.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=C(Cl)C=CC=C3Cl)C[C@H]2C1	REAL300005311156	1	47	0.0	-69.58	386.48	10.76	-58.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)F)N=C3)C[C@H]2C1	REAL300005311157	0	43	0.0	-54.63	340.29	7.00	-47.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)F)N=C3)C[C@H]2C1	REAL300005311157	1	43	0.0	-61.57	338.57	6.93	-54.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4OCCOC4=CS3)C[C@H]2C1	REAL300005311158	0	44	0.0	-64.62	342.98	6.46	-58.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4OCCOC4=CS3)C[C@H]2C1	REAL300005311158	1	44	0.0	-63.08	342.79	6.49	-56.59
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311159	0	54	0.0	-64.15	418.24	11.96	-52.19
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311159	1	54	0.0	-59.65	415.01	12.22	-47.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=C(F)C=CC=C3F)C[C@H]2C1	REAL300005311160	0	50	0.0	-64.74	390.55	11.11	-53.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=C(F)C=CC=C3F)C[C@H]2C1	REAL300005311160	1	50	0.0	-72.07	390.50	10.75	-61.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005311161	0	43	0.0	-70.01	337.38	7.09	-62.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005311161	1	43	0.0	-63.69	340.47	7.09	-56.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCC3N3C=CC=N3)C[C@H]2C1	REAL300005311162	0	54	0.0	-46.94	397.02	9.29	-37.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCC3N3C=CC=N3)C[C@H]2C1	REAL300005311162	1	54	0.0	-69.17	397.16	9.22	-59.95
CC(C)C1CCC(C)CC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311163	0	59	0.0	-75.30	402.11	10.35	-64.95
CC(C)C1CCC(C)CC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311163	1	59	0.0	-53.75	400.21	10.48	-43.27
CC1=CN(C)N=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311164	0	44	0.0	-74.29	333.73	7.06	-67.23
CC1=CN(C)N=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311164	1	44	0.0	-69.74	334.51	6.90	-62.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN4CCCCC4=N3)C[C@H]2C1	REAL300005311165	0	51	0.0	-72.22	381.48	9.38	-62.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN4CCCCC4=N3)C[C@H]2C1	REAL300005311165	1	51	0.0	-81.02	382.00	9.36	-71.66
CC(=CC1=CC=NC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311166	0	47	0.0	-63.87	359.98	8.64	-55.23
CC(=CC1=CC=NC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311166	1	47	0.0	-70.07	347.84	7.85	-62.22
CC(=CC1=CC=CC=N1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311167	0	47	0.0	-70.27	360.59	9.22	-61.05
CC(=CC1=CC=CC=N1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311167	1	47	0.0	-66.21	361.85	9.20	-57.01
CC(=CC1=CC=CN=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311168	0	47	0.0	-62.75	349.15	8.00	-54.75
CC(=CC1=CC=CN=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311168	1	47	0.0	-71.41	348.29	7.85	-63.56
CC(=CC1=CC=CO1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311169	0	45	0.0	-58.53	347.12	8.74	-49.79
CC(=CC1=CC=CO1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311169	1	45	0.0	-66.33	347.46	8.31	-58.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(C)(C)C)=C3)C[C@H]2C1	REAL300005311170	0	53	0.0	-77.81	386.14	10.32	-67.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(C)(C)C)=C3)C[C@H]2C1	REAL300005311170	1	53	0.0	-74.96	384.57	10.34	-64.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4CC4)=C3)C[C@H]2C1	REAL300005311171	0	48	0.0	-61.41	355.61	10.37	-51.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4CC4)=C3)C[C@H]2C1	REAL300005311171	1	48	0.0	-73.26	357.45	10.09	-63.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCCOC4=N3)C[C@H]2C1	REAL300005311172	0	46	0.0	-56.35	351.08	5.35	-51.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCCOC4=N3)C[C@H]2C1	REAL300005311172	1	46	0.0	-68.37	347.94	5.14	-63.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311173	0	50	0.0	-75.97	386.10	10.73	-65.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311173	1	50	0.0	-71.94	386.29	10.77	-61.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCN(S(C)(=O)=O)CC3)C[C@H]2C1	REAL300005311174	0	55	0.0	-72.57	411.77	6.14	-66.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCN(S(C)(=O)=O)CC3)C[C@H]2C1	REAL300005311174	1	55	0.0	-75.45	411.70	5.82	-69.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCC4=CC=CC=C43)C[C@H]2C1	REAL300005311175	0	49	0.0	-67.27	372.61	9.04	-58.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCC4=CC=CC=C43)C[C@H]2C1	REAL300005311175	1	49	0.0	-71.90	372.42	9.14	-62.76
COC1=CC=C2CCCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005311176	0	55	0.0	-67.77	405.21	9.80	-57.97
COC1=CC=C2CCCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005311176	1	55	0.0	-73.33	404.26	9.72	-63.61
COC1=CN2N=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C=C1	REAL300005311177	0	48	0.0	-68.36	363.90	7.02	-61.34
COC1=CN2N=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C=C1	REAL300005311177	1	48	0.0	-70.36	360.61	6.80	-63.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCCCC3)C[C@H]2C1	REAL300005311178	0	56	0.0	-61.97	391.73	10.47	-51.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCCCCC3)C[C@H]2C1	REAL300005311178	1	56	0.0	-66.80	391.28	10.39	-56.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OC(C)(C)C4)C[C@H]2C1	REAL300005311179	0	52	0.0	-85.13	387.53	9.28	-75.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OC(C)(C)C4)C[C@H]2C1	REAL300005311179	1	52	0.0	-70.63	385.72	9.12	-61.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCS3(=O)=O)C[C@H]2C1	REAL300005311180	0	44	0.0	-72.10	339.30	4.01	-68.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCS3(=O)=O)C[C@H]2C1	REAL300005311180	1	44	0.0	-57.65	338.25	3.97	-53.68
CN(C)C1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005311181	0	48	0.0	-59.42	375.22	7.16	-52.26
CN(C)C1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005311181	1	48	0.0	-65.03	375.34	7.05	-57.98
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311182	0	54	0.0	-57.77	410.80	10.01	-47.76
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311182	1	54	0.0	-69.22	409.00	9.82	-59.40
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC(=O)C2=CC=CC=C12	REAL300005311183	0	50	0.0	-77.37	384.44	7.75	-69.62
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC(=O)C2=CC=CC=C12	REAL300005311183	1	50	0.0	-61.59	385.53	7.70	-53.89
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005311184	0	47	0.0	-46.79	369.61	10.06	-36.73
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005311184	1	47	0.0	-65.47	368.18	9.85	-55.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3CCCC3)C[C@H]2C1	REAL300005311185	0	51	0.0	-73.80	368.16	10.57	-63.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3CCCC3)C[C@H]2C1	REAL300005311185	1	51	0.0	-65.03	367.16	10.15	-54.88
COC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(F)(F)F	REAL300005311186	0	44	0.0	-61.08	346.48	6.99	-54.09
COC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(F)(F)F	REAL300005311186	1	44	0.0	-64.15	342.63	6.85	-57.30
CSCC1(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311187	0	48	0.0	-60.22	370.81	9.63	-50.59
CSCC1(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311187	1	48	0.0	-67.62	368.29	9.11	-58.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3C4CC5CC(C4)CC3C5)C[C@H]2C1	REAL300005311188	0	58	0.0	-73.73	390.62	10.83	-62.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3C4CC5CC(C4)CC3C5)C[C@H]2C1	REAL300005311188	1	58	0.0	-67.51	391.80	10.77	-56.74
C[C@H]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311189	0	50	0.0	-59.82	359.55	9.16	-50.66
C[C@H]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311189	1	50	0.0	-66.46	360.11	9.05	-57.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CN=CC=C4C=C3)C[C@H]2C1	REAL300005311190	0	46	0.0	-69.88	349.56	8.44	-61.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CN=CC=C4C=C3)C[C@H]2C1	REAL300005311190	1	46	0.0	-66.11	352.27	8.40	-57.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=N4)N=C3)C[C@H]2C1	REAL300005311191	0	49	0.0	-55.38	379.99	8.27	-47.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=N4)N=C3)C[C@H]2C1	REAL300005311191	1	49	0.0	-69.07	376.80	8.23	-60.84
CC(C)CN1N=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311192	0	50	0.0	-74.15	369.50	8.21	-65.94
CC(C)CN1N=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311192	1	50	0.0	-68.80	362.62	7.89	-60.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCCC3)C[C@H]2C1	REAL300005311193	0	48	0.0	-64.52	353.66	9.33	-55.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCCC3)C[C@H]2C1	REAL300005311193	1	48	0.0	-63.98	356.22	9.28	-54.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CCC4)C3)C[C@H]2C1	REAL300005311194	0	48	0.0	-61.71	350.59	9.31	-52.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CCC4)C3)C[C@H]2C1	REAL300005311194	1	48	0.0	-65.59	352.89	9.15	-56.44
COC1=CC=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311195	0	44	0.0	-64.65	334.66	6.41	-58.24
COC1=CC=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311195	1	44	0.0	-68.94	336.75	6.32	-62.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=C(F)C=C4)N=C3)C[C@H]2C1	REAL300005311196	0	48	0.0	-56.52	376.24	9.25	-47.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=C(F)C=C4)N=C3)C[C@H]2C1	REAL300005311196	1	48	0.0	-60.92	374.98	9.14	-51.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(SC(F)(F)F)=C3)C[C@H]2C1	REAL300005311197	0	45	0.0	-78.72	365.00	9.40	-69.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(SC(F)(F)F)=C3)C[C@H]2C1	REAL300005311197	1	45	0.0	-73.88	364.79	9.47	-64.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C(C)(C)C)N=N3)C[C@H]2C1	REAL300005311198	0	48	0.0	-70.83	365.69	6.34	-64.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C(C)(C)C)N=N3)C[C@H]2C1	REAL300005311198	1	48	0.0	-67.35	367.60	6.15	-61.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC34CCCCC3C4(F)F)C[C@H]2C1	REAL300005311199	0	51	0.0	-69.89	375.31	9.88	-60.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC34CCCCC3C4(F)F)C[C@H]2C1	REAL300005311199	1	51	0.0	-72.52	374.54	9.83	-62.69
CC1=CC(Br)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311200	0	47	0.0	-71.04	367.43	9.83	-61.21
CC1=CC(Br)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311200	1	47	0.0	-62.03	365.12	9.93	-52.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CC[C@H](C4CCC4)CC3)C[C@H]2C1	REAL300005311201	0	57	0.0	-73.31	401.81	10.94	-62.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CC[C@H](C4CCC4)CC3)C[C@H]2C1	REAL300005311201	1	57	0.0	-66.37	406.38	11.03	-55.34
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311202	0	55	0.0	-65.38	416.35	10.51	-54.87
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311202	1	55	0.0	-67.66	415.70	10.46	-57.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=NN3C3=CC=CC=C3)C[C@H]2C1	REAL300005311203	0	47	0.0	-75.40	359.59	7.73	-67.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=NN3C3=CC=CC=C3)C[C@H]2C1	REAL300005311203	1	47	0.0	-62.65	358.55	7.71	-54.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC(F)(F)F)C[C@H]2C1	REAL300005311204	0	46	0.0	-69.10	335.01	7.60	-61.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC(F)(F)F)C[C@H]2C1	REAL300005311204	1	46	0.0	-66.96	333.46	7.61	-59.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COCC3C3=CC=CC=C3)C[C@H]2C1	REAL300005311205	0	52	0.0	-76.45	379.28	8.68	-67.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COCC3C3=CC=CC=C3)C[C@H]2C1	REAL300005311205	1	52	0.0	-65.66	380.82	8.82	-56.84
CN1N=CC(C2CC2)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311206	0	48	0.0	-61.34	369.92	8.16	-53.18
CN1N=CC(C2CC2)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311206	1	48	0.0	-63.75	370.56	8.07	-55.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC3COC4(C)C)C[C@H]2C1	REAL300005311207	0	49	0.0	-59.81	354.53	6.85	-52.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC3COC4(C)C)C[C@H]2C1	REAL300005311207	1	49	0.0	-65.32	346.31	6.74	-58.58
CN1C=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005311208	0	44	0.0	-64.51	345.39	6.12	-58.39
CN1C=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005311208	1	44	0.0	-68.26	347.54	6.05	-62.21
COC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300005311209	0	51	0.0	-57.29	359.07	7.82	-49.47
COC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300005311209	1	51	0.0	-62.84	362.96	7.45	-55.39
CC(=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)(C)C	REAL300005311210	0	50	0.0	-63.74	360.90	9.07	-54.67
CC(=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)(C)C	REAL300005311210	1	50	0.0	-63.21	360.83	8.96	-54.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C)(C)CC(C)(C)C3)C[C@H]2C1	REAL300005311211	0	59	0.0	-73.29	405.42	10.26	-63.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C)(C)CC(C)(C)C3)C[C@H]2C1	REAL300005311211	1	59	0.0	-59.86	410.84	10.38	-49.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(C4CC4)C=N3)C[C@H]2C1	REAL300005311212	0	48	0.0	-84.42	368.13	8.59	-75.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(C4CC4)C=N3)C[C@H]2C1	REAL300005311212	1	48	0.0	-75.60	369.31	8.55	-67.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3COCC4)C[C@H]2C1	REAL300005311213	0	49	0.0	-55.86	361.76	8.05	-47.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3COCC4)C[C@H]2C1	REAL300005311213	1	49	0.0	-62.72	358.32	8.17	-54.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CC4(F)F)C3)C[C@H]2C1	REAL300005311214	0	45	0.0	-76.15	349.09	8.90	-67.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CC4(F)F)C3)C[C@H]2C1	REAL300005311214	1	45	0.0	-69.25	347.19	8.79	-60.46
CC1=CC(F)=CC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311215	0	47	0.0	-56.38	358.10	9.48	-46.90
CC1=CC(F)=CC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311215	1	47	0.0	-65.56	359.85	9.52	-56.04
CSC(C)(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311216	0	44	0.0	-60.33	325.23	7.23	-53.10
CSC(C)(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311216	1	44	0.0	-65.80	325.17	7.13	-58.67
CN1N=CC(C2CCC2)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311217	0	51	0.0	-62.07	384.97	8.63	-53.44
CN1N=CC(C2CCC2)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311217	1	51	0.0	-72.00	385.94	8.63	-63.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(N4C=NN=N4)CC3)C[C@H]2C1	REAL300005311218	0	43	0.0	-60.67	338.35	6.41	-54.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(N4C=NN=N4)CC3)C[C@H]2C1	REAL300005311218	1	43	0.0	-60.11	337.32	6.69	-53.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CNC4=NC=N3)C[C@H]2C1	REAL300005311219	0	43	0.0	-59.61	331.07	7.94	-51.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CNC4=NC=N3)C[C@H]2C1	REAL300005311219	1	43	0.0	-69.87	327.96	7.73	-62.14
CCCCCC1=NNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311220	0	53	0.0	-57.32	396.75	8.89	-48.43
CCCCCC1=NNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311220	1	53	0.0	-69.24	397.14	8.55	-60.69
CCCCCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005311220	1	53	0.0	-59.23	400.75	8.66	-50.57
CCCCCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005311220	1	53	0.0	-68.46	397.63	8.44	-60.02
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1CCOCC1	REAL300005311221	0	59	0.0	-57.80	417.67	9.24	-48.56
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1CCOCC1	REAL300005311221	1	59	0.0	-72.31	416.34	9.24	-63.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C(Cl)=CC=CN4N=C3)C[C@H]2C1	REAL300005311222	0	44	0.0	-79.39	348.84	8.25	-71.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C(Cl)=CC=CN4N=C3)C[C@H]2C1	REAL300005311222	1	44	0.0	-65.38	350.93	8.25	-57.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=NOC=C4)OC=N3)C[C@H]2C1	REAL300005311223	0	43	0.0	-79.66	338.00	5.34	-74.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=NOC=C4)OC=N3)C[C@H]2C1	REAL300005311223	1	43	0.0	-74.63	339.66	5.12	-69.51
CC(C)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311224	0	50	0.0	-59.99	368.09	9.90	-50.09
CC(C)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311224	1	50	0.0	-72.30	365.00	9.75	-62.55
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311225	0	49	0.0	-67.11	379.55	8.09	-59.02
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311225	1	49	0.0	-65.77	382.76	8.02	-57.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Br)C=C3F)C[C@H]2C1	REAL300005311226	0	44	0.0	-68.34	365.22	9.74	-58.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Br)C=C3F)C[C@H]2C1	REAL300005311226	1	44	0.0	-71.48	364.52	9.69	-61.79
CC(=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CO1	REAL300005311227	0	45	0.0	-61.32	344.16	8.45	-52.87
CC(=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CO1	REAL300005311227	1	45	0.0	-62.95	346.13	8.36	-54.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(Cl)=CC=C4S3)C[C@H]2C1	REAL300005311228	0	44	0.0	-63.58	362.92	9.85	-53.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(Cl)=CC=C4S3)C[C@H]2C1	REAL300005311228	1	44	0.0	-58.48	359.25	10.09	-48.39
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311229	0	52	0.0	-77.01	393.21	9.68	-67.33
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311229	1	52	0.0	-69.10	395.18	9.64	-59.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(=O)C4=CC=CO4)=C3)C[C@H]2C1	REAL300005311230	0	50	0.0	-69.47	389.15	9.61	-59.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(=O)C4=CC=CO4)=C3)C[C@H]2C1	REAL300005311230	1	50	0.0	-71.77	386.75	9.45	-62.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(C4CCCCC4)C=C3)C[C@H]2C1	REAL300005311231	0	60	0.0	-63.20	439.93	12.88	-50.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(C4CCCCC4)C=C3)C[C@H]2C1	REAL300005311231	1	60	0.0	-70.34	438.84	12.93	-57.41
COCC1=CN=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311232	0	47	0.0	-66.27	357.22	5.89	-60.38
COCC1=CN=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311232	1	47	0.0	-67.18	357.33	5.78	-61.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CCCCC3)C[C@H]2C1	REAL300005311233	0	50	0.0	-63.97	354.74	8.62	-55.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CCCCC3)C[C@H]2C1	REAL300005311233	1	50	0.0	-60.46	353.54	8.68	-51.78
CCCCC(C)(F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311234	0	49	0.0	-52.02	355.31	8.65	-43.37
CCCCC(C)(F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311234	1	49	0.0	-57.91	357.30	8.57	-49.34
COC1=CC=CC=C1C(F)(F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311235	0	48	0.0	-57.93	370.60	8.42	-49.51
COC1=CC=CC=C1C(F)(F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311235	1	48	0.0	-64.70	371.33	8.36	-56.34
CC1=NNC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005311236	0	47	0.0	-78.63	358.49	7.28	-71.35
CC1=NNC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005311236	1	47	0.0	-76.27	356.74	7.27	-69.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4=CC=CN=C4)=N3)C[C@H]2C1	REAL300005311237	0	46	0.0	-56.28	365.07	5.70	-50.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4=CC=CN=C4)=N3)C[C@H]2C1	REAL300005311237	1	46	0.0	-67.31	364.22	5.76	-61.55
COCCCN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC1=O	REAL300005311238	0	53	0.0	-63.68	407.22	6.39	-57.29
COCCCN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC1=O	REAL300005311238	1	53	0.0	-66.69	405.79	6.20	-60.49
CN1C(=O)C(C)(C)C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005311239	0	55	0.0	-68.20	411.09	9.39	-58.81
CN1C(=O)C(C)(C)C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005311239	1	55	0.0	-70.31	411.82	9.31	-61.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4CC43)C[C@H]2C1	REAL300005311240	0	48	0.0	-72.37	345.00	9.07	-63.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4CC43)C[C@H]2C1	REAL300005311240	1	48	0.0	-66.06	344.90	8.99	-57.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CF)C=C3)C[C@H]2C1	REAL300005311241	0	44	0.0	-69.89	337.31	8.81	-61.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CF)C=C3)C[C@H]2C1	REAL300005311241	1	44	0.0	-69.35	331.82	8.54	-60.81
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300005311242	0	48	0.0	-64.78	376.06	8.35	-56.43
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300005311242	1	48	0.0	-73.37	375.14	8.38	-64.99
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOC1	REAL300005311243	0	49	0.0	-68.39	361.06	6.23	-62.16
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOC1	REAL300005311243	1	49	0.0	-67.21	360.11	6.15	-61.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN(C(C)(C)C)N=N3)C[C@H]2C1	REAL300005311244	0	51	0.0	-68.70	391.86	6.66	-62.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN(C(C)(C)C)N=N3)C[C@H]2C1	REAL300005311244	1	51	0.0	-75.36	390.35	6.70	-68.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4COCCC4=C3)C[C@H]2C1	REAL300005311245	0	49	0.0	-66.35	360.88	8.02	-58.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4COCCC4=C3)C[C@H]2C1	REAL300005311245	1	49	0.0	-76.26	362.13	8.12	-68.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CC3(F)F)C[C@H]2C1	REAL300005311246	0	44	0.0	-63.59	342.18	8.95	-54.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CC3(F)F)C[C@H]2C1	REAL300005311246	1	44	0.0	-66.32	343.46	8.52	-57.80
COCCCOCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311247	0	51	0.0	-61.10	387.72	6.39	-54.71
COCCCOCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311247	1	51	0.0	-68.69	387.67	6.04	-62.65
CC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC=C1	REAL300005311248	0	44	0.0	-77.82	337.90	7.85	-69.97
CC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC=C1	REAL300005311248	1	44	0.0	-70.01	339.09	7.80	-62.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)N3C=CC=N3)C[C@H]2C1	REAL300005311249	0	47	0.0	-70.97	346.29	7.63	-63.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)N3C=CC=N3)C[C@H]2C1	REAL300005311249	1	47	0.0	-63.12	341.96	7.06	-56.06
COC1=CC=C(OC(C)(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311250	0	55	0.0	-71.56	394.49	8.67	-62.89
COC1=CC=C(OC(C)(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311250	1	55	0.0	-68.24	393.08	8.51	-59.73
CC(C)CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005311251	0	56	0.0	-64.82	422.22	11.90	-52.92
CC(C)CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005311251	1	56	0.0	-66.86	424.00	11.69	-55.17
COC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005311252	0	48	0.0	-73.21	380.98	8.87	-64.34
COC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005311252	1	48	0.0	-64.11	380.73	8.80	-55.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(N4C=NN=N4)CCOCC3)C[C@H]2C1	REAL300005311253	0	50	0.0	-43.90	363.17	5.79	-38.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(N4C=NN=N4)CCOCC3)C[C@H]2C1	REAL300005311253	1	50	0.0	-64.49	363.51	5.95	-58.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4C=CC=NC4=N3)C[C@H]2C1	REAL300005311254	0	42	0.0	-79.15	330.46	8.98	-70.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4C=CC=NC4=N3)C[C@H]2C1	REAL300005311254	1	42	0.0	-70.97	326.36	9.06	-61.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CSC4=NC=N3)C[C@H]2C1	REAL300005311255	0	42	0.0	-59.65	333.48	8.12	-51.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CSC4=NC=N3)C[C@H]2C1	REAL300005311255	1	42	0.0	-62.15	335.40	8.13	-54.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OC3=CC=CC=C3)C[C@H]2C1	REAL300005311256	0	51	0.0	-70.85	364.98	9.38	-61.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OC3=CC=CC=C3)C[C@H]2C1	REAL300005311256	1	51	0.0	-69.66	361.20	9.43	-60.23
CC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005311257	0	54	0.0	-53.66	382.76	10.55	-43.11
CC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005311257	1	54	0.0	-72.31	382.95	10.45	-61.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CC5=C4C=CC=C5)O3)C[C@H]2C1	REAL300005311258	0	50	0.0	-73.51	386.15	11.09	-62.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CC5=C4C=CC=C5)O3)C[C@H]2C1	REAL300005311258	1	50	0.0	-69.40	384.41	10.87	-58.53
CC1=C(S(C)(=O)=O)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311259	0	47	0.0	-72.39	375.12	4.71	-67.68
CC1=C(S(C)(=O)=O)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311259	1	47	0.0	-80.90	371.22	4.39	-76.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CSC=C4S3)C[C@H]2C1	REAL300005311260	0	41	0.0	-65.94	337.34	8.34	-57.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CSC=C4S3)C[C@H]2C1	REAL300005311260	1	41	0.0	-66.59	337.88	8.36	-58.23
CC1=CC=CC=C1CC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311261	0	53	0.0	-64.69	388.72	10.70	-53.99
CC1=CC=CC=C1CC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311261	1	53	0.0	-60.67	391.83	10.69	-49.98
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(C(F)F)=C1	REAL300005311262	0	44	0.0	-60.32	344.84	8.15	-52.17
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(C(F)F)=C1	REAL300005311262	1	44	0.0	-65.25	347.63	8.09	-57.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC5=C(Cl)C=CC=C5C43)C[C@H]2C1	REAL300005311263	0	49	0.0	-76.05	378.72	11.28	-64.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC5=C(Cl)C=CC=C5C43)C[C@H]2C1	REAL300005311263	1	49	0.0	-67.81	387.87	11.33	-56.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CC4)C=C3)C[C@H]2C1	REAL300005311264	0	48	0.0	-55.06	357.21	10.22	-44.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CC4)C=C3)C[C@H]2C1	REAL300005311264	1	48	0.0	-68.02	356.74	9.94	-58.08
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300005311265	0	51	0.0	-75.71	368.75	8.69	-67.02
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300005311265	1	51	0.0	-63.30	369.62	8.66	-54.64
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311266	0	51	0.0	-74.81	381.32	10.90	-63.91
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311266	1	51	0.0	-69.15	383.19	10.84	-58.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CC=C4CO3)C[C@H]2C1	REAL300005311267	0	49	0.0	-49.42	367.68	9.42	-40.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CC=C4CO3)C[C@H]2C1	REAL300005311267	1	49	0.0	-67.48	365.18	9.33	-58.15
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCCC1	REAL300005311268	0	54	0.0	-75.82	385.91	9.24	-66.58
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCCC1	REAL300005311268	1	54	0.0	-73.28	386.20	9.38	-63.90
CC(CC1=CC=CO1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311269	0	47	0.0	-63.26	350.22	8.28	-54.98
CC(CC1=CC=CO1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311269	1	47	0.0	-63.36	351.26	8.13	-55.23
CC1CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C2O1	REAL300005311270	0	49	0.0	-76.80	366.28	8.59	-68.21
CC1CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C2O1	REAL300005311270	1	49	0.0	-75.62	365.06	8.58	-67.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CCCCC4)C[C@H]2C1	REAL300005311271	0	54	0.0	-66.59	381.67	10.23	-56.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CCCCC4)C[C@H]2C1	REAL300005311271	1	54	0.0	-65.32	383.64	10.22	-55.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC4=CC=CC=C43)C[C@H]2C1	REAL300005311272	0	47	0.0	-58.24	371.57	10.80	-47.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC4=CC=CC=C43)C[C@H]2C1	REAL300005311272	1	47	0.0	-66.80	368.22	10.60	-56.20
COCC1=CSC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311273	0	45	0.0	-56.15	356.43	6.69	-49.46
COCC1=CSC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311273	1	45	0.0	-61.01	355.37	6.73	-54.28
CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311274	0	48	0.0	-47.99	346.90	8.12	-39.87
CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311274	1	48	0.0	-72.51	344.62	7.86	-64.65
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCO1	REAL300005311275	0	51	0.0	-62.39	365.65	7.69	-54.70
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCO1	REAL300005311275	1	51	0.0	-62.35	368.65	7.68	-54.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC(Cl)=C3Cl)C[C@H]2C1	REAL300005311276	0	48	0.0	-69.55	395.51	11.28	-58.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC(Cl)=C3Cl)C[C@H]2C1	REAL300005311276	1	48	0.0	-72.51	395.14	11.22	-61.29
CC1=CC=C2OC=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005311277	0	50	0.0	-76.86	386.15	10.10	-66.76
CC1=CC=C2OC=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005311277	1	50	0.0	-69.25	383.37	10.17	-59.08
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005311278	0	48	0.0	-74.19	368.49	8.96	-65.23
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005311278	1	48	0.0	-62.41	368.33	8.81	-53.60
CCCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005311279	0	53	0.0	-71.64	410.85	11.43	-60.21
CCCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005311279	1	53	0.0	-66.08	412.87	11.34	-54.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=C(Cl)C=CC=C43)C[C@H]2C1	REAL300005311280	0	45	0.0	-62.60	354.31	10.07	-52.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=C(Cl)C=CC=C43)C[C@H]2C1	REAL300005311280	1	45	0.0	-69.54	358.30	10.02	-59.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CSN=N4)C=C3)C[C@H]2C1	REAL300005311281	0	46	0.0	-78.97	366.24	8.05	-70.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CSN=N4)C=C3)C[C@H]2C1	REAL300005311281	1	46	0.0	-65.70	361.16	8.10	-57.60
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CO1	REAL300005311282	0	47	0.0	-59.21	357.34	8.58	-50.63
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CO1	REAL300005311282	1	47	0.0	-63.98	356.67	8.52	-55.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CC=CC=C4CC3)C[C@H]2C1	REAL300005311283	0	54	0.0	-75.73	385.64	10.90	-64.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CC=CC=C4CC3)C[C@H]2C1	REAL300005311283	1	54	0.0	-71.18	388.96	10.92	-60.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3CCC3)C3CCC3)C[C@H]2C1	REAL300005311284	0	57	0.0	-61.85	401.76	11.63	-50.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3CCC3)C3CCC3)C[C@H]2C1	REAL300005311284	1	57	0.0	-68.23	401.38	11.28	-56.95
CC1=CC=C(COC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311285	0	54	0.0	-64.74	410.97	10.68	-54.06
CC1=CC=C(COC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311285	1	54	0.0	-69.96	408.70	10.56	-59.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CC4(F)F)C=C3)C[C@H]2C1	REAL300005311286	0	49	0.0	-70.32	383.19	9.16	-61.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CC4(F)F)C=C3)C[C@H]2C1	REAL300005311286	1	49	0.0	-61.43	381.52	9.00	-52.43
CCCC(OCC)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311287	0	50	0.0	-75.26	369.74	8.49	-66.77
CCCC(OCC)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311287	1	50	0.0	-67.95	370.41	8.42	-59.53
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Br	REAL300005311288	0	45	0.0	-64.44	359.03	7.93	-56.51
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Br	REAL300005311288	1	45	0.0	-73.05	358.13	7.94	-65.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC5=CC=CC=C5C43)C[C@H]2C1	REAL300005311289	0	49	0.0	-70.46	369.68	10.88	-59.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC5=CC=CC=C5C43)C[C@H]2C1	REAL300005311289	1	49	0.0	-68.31	371.49	10.84	-57.47
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OC(F)(F)F	REAL300005311290	0	48	0.0	-63.49	374.50	8.51	-54.98
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OC(F)(F)F	REAL300005311290	1	48	0.0	-70.29	374.37	8.56	-61.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC(F)=CC=C4C3)C[C@H]2C1	REAL300005311291	0	49	0.0	-59.99	373.38	9.20	-50.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC(F)=CC=C4C3)C[C@H]2C1	REAL300005311291	1	49	0.0	-65.50	369.95	8.68	-56.82
CCOC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300005311292	0	48	0.0	-60.46	357.56	8.67	-51.79
CCOC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300005311292	1	48	0.0	-69.43	359.65	8.38	-61.05
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(S(C)(=O)=O)O1	REAL300005311293	0	47	0.0	-78.95	370.14	4.42	-74.53
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(S(C)(=O)=O)O1	REAL300005311293	1	47	0.0	-73.53	371.66	4.45	-69.08
CC1=CC=CC=C1COC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311294	0	54	0.0	-78.85	403.41	10.71	-68.14
CC1=CC=CC=C1COC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311294	1	54	0.0	-70.93	403.37	10.58	-60.35
CCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300005311295	0	53	0.0	-61.85	369.99	9.11	-52.74
CCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300005311295	1	53	0.0	-70.03	365.59	8.91	-61.12
CN1N=CC(C(F)(F)F)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311296	0	44	0.0	-63.26	358.36	7.00	-56.26
CN1N=CC(C(F)(F)F)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311296	1	44	0.0	-60.53	356.02	6.85	-53.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3OCCO[C@@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005311297	0	53	0.0	-68.62	383.03	8.82	-59.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3OCCO[C@@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005311297	1	53	0.0	-60.75	380.92	8.60	-52.15
CC1=CCC(C)(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311298	0	51	0.0	-74.24	357.49	8.99	-65.25
CC1=CCC(C)(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311298	1	51	0.0	-65.67	356.91	9.12	-56.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3OC(C)(C)C)C[C@H]2C1	REAL300005311299	0	51	0.0	-71.67	376.94	7.88	-63.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3OC(C)(C)C)C[C@H]2C1	REAL300005311299	1	51	0.0	-68.36	377.20	7.90	-60.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311300	0	41	0.0	-70.36	340.05	8.11	-62.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311300	1	41	0.0	-67.55	338.53	8.14	-59.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@@H](C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005311301	0	54	0.0	-75.26	394.94	11.25	-64.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@@H](C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005311301	1	54	0.0	-68.68	394.27	11.17	-57.51
COCCCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311302	0	51	0.0	-57.21	390.58	6.47	-50.74
COCCCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311302	1	51	0.0	-68.87	389.19	6.35	-62.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CC4)N=C3)C[C@H]2C1	REAL300005311303	0	45	0.0	-66.68	341.85	7.28	-59.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CC4)N=C3)C[C@H]2C1	REAL300005311303	1	45	0.0	-71.64	341.36	7.28	-64.36
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1CCOCC1	REAL300005311304	0	55	0.0	-62.12	407.65	7.85	-54.27
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1CCOCC1	REAL300005311304	1	55	0.0	-70.06	409.99	7.75	-62.31
CC1=CC=C(C2=NN(C)C=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311305	0	51	0.0	-74.79	391.95	9.73	-65.06
CC1=CC=C(C2=NN(C)C=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311305	1	51	0.0	-85.03	392.71	9.34	-75.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCCCCC3)C[C@H]2C1	REAL300005311306	0	60	0.0	-52.51	393.23	12.06	-40.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCCCCC3)C[C@H]2C1	REAL300005311306	1	60	0.0	-66.04	390.55	11.96	-54.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)SC=C3)C[C@H]2C1	REAL300005311307	0	41	0.0	-82.52	335.82	8.10	-74.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)SC=C3)C[C@H]2C1	REAL300005311307	1	41	0.0	-73.25	338.16	8.08	-65.17
CC1=NN(C2CCOCC2)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311308	0	55	0.0	-65.71	402.06	7.40	-58.31
CC1=NN(C2CCOCC2)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311308	1	55	0.0	-58.78	403.29	7.40	-51.38
CCOC1=CC=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311309	0	52	0.0	-68.58	396.00	9.80	-58.78
CCOC1=CC=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311309	1	52	0.0	-66.93	398.16	9.73	-57.20
COC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311310	0	49	0.0	-67.49	374.08	8.89	-58.60
COC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311310	1	49	0.0	-66.19	376.24	8.82	-57.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCCN4C=C3)C[C@H]2C1	REAL300005311311	0	49	0.0	-64.43	356.73	9.29	-55.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCCN4C=C3)C[C@H]2C1	REAL300005311311	1	49	0.0	-70.19	355.94	9.18	-61.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4C(C3)C4(F)F)C[C@H]2C1	REAL300005311312	0	48	0.0	-50.67	354.23	9.19	-41.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4C(C3)C4(F)F)C[C@H]2C1	REAL300005311312	1	48	0.0	-70.41	350.19	9.05	-61.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(C)(F)F)CC3)C[C@H]2C1	REAL300005311313	0	44	0.0	-52.21	333.71	8.22	-43.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(C)(F)F)CC3)C[C@H]2C1	REAL300005311313	1	44	0.0	-63.37	330.34	7.89	-55.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CCOCC3)C[C@H]2C1	REAL300005311314	0	48	0.0	-58.37	347.17	6.30	-52.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CCOCC3)C[C@H]2C1	REAL300005311314	1	48	0.0	-58.99	345.50	6.23	-52.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CC4)N=N3)C[C@H]2C1	REAL300005311315	0	44	0.0	-54.76	340.76	6.39	-48.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CC4)N=N3)C[C@H]2C1	REAL300005311315	1	44	0.0	-67.65	337.63	6.19	-61.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)C[C@H]2C1	REAL300005311316	0	52	0.0	-62.84	393.26	4.95	-57.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)C[C@H]2C1	REAL300005311316	1	52	0.0	-76.62	389.21	4.68	-71.94
COC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005311317	0	52	0.0	-81.52	405.01	8.55	-72.97
COC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005311317	1	52	0.0	-65.90	404.26	8.51	-57.39
CC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Br	REAL300005311318	0	47	0.0	-70.98	373.02	10.15	-60.83
CC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Br	REAL300005311318	1	47	0.0	-65.26	374.53	10.09	-55.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC(F)F)C[C@H]2C1	REAL300005311319	0	41	0.0	-71.22	326.21	6.78	-64.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC(F)F)C[C@H]2C1	REAL300005311319	1	41	0.0	-77.46	326.56	6.73	-70.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC4=C3COCC4)C[C@H]2C1	REAL300005311320	0	45	0.0	-71.34	339.38	6.16	-65.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC4=C3COCC4)C[C@H]2C1	REAL300005311320	1	45	0.0	-65.98	342.28	6.06	-59.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC(F)=CC(F)=C4)CCCC3)C[C@H]2C1	REAL300005311321	0	54	0.0	-66.92	396.51	11.35	-55.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC(F)=CC(F)=C4)CCCC3)C[C@H]2C1	REAL300005311321	1	54	0.0	-66.38	393.04	11.17	-55.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(S(C)(=O)=O)O3)C[C@H]2C1	REAL300005311322	0	48	0.0	-70.47	390.49	5.36	-65.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(S(C)(=O)=O)O3)C[C@H]2C1	REAL300005311322	1	48	0.0	-73.92	392.64	5.30	-68.62
CCCC1CCCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311323	0	53	0.0	-62.58	378.19	10.24	-52.34
CCCC1CCCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311323	1	53	0.0	-65.79	376.39	9.97	-55.82
CC1=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1	REAL300005311324	0	58	0.0	-66.20	446.02	13.13	-53.07
CC1=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1	REAL300005311324	1	58	0.0	-72.24	442.42	12.92	-59.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)SC=C3)C[C@H]2C1	REAL300005311325	0	38	0.0	-65.82	311.80	7.53	-58.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)SC=C3)C[C@H]2C1	REAL300005311325	1	38	0.0	-69.36	308.57	7.34	-62.02
CC1=NC=CN=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311326	0	42	0.0	-61.95	316.15	5.85	-56.10
CC1=NC=CN=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311326	1	42	0.0	-67.37	314.59	5.67	-61.70
CSC1=CC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311327	0	45	0.0	-61.41	353.40	8.26	-53.15
CSC1=CC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311327	1	45	0.0	-65.79	355.70	8.18	-57.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CSC4=CN=C3)C[C@H]2C1	REAL300005311328	0	43	0.0	-61.66	341.22	7.57	-54.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CSC4=CN=C3)C[C@H]2C1	REAL300005311328	1	43	0.0	-64.47	341.64	7.45	-57.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC=N3)C[C@H]2C1	REAL300005311329	0	40	0.0	-79.90	320.32	6.25	-73.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC=N3)C[C@H]2C1	REAL300005311329	1	40	0.0	-71.50	317.54	6.32	-65.18
CCOC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005311330	0	52	0.0	-56.05	360.42	6.16	-49.89
CCOC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005311330	1	52	0.0	-63.37	363.82	5.88	-57.49
CC1=CC(C)=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311331	0	50	0.0	-63.57	381.28	10.41	-53.16
CC1=CC(C)=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311331	1	50	0.0	-63.64	379.43	10.36	-53.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CCCCCCC43)C[C@H]2C1	REAL300005311332	0	54	0.0	-61.41	372.96	10.06	-51.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CCCCCCC43)C[C@H]2C1	REAL300005311332	1	54	0.0	-68.41	374.47	10.11	-58.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NN=NN4C=C3)C[C@H]2C1	REAL300005311333	0	42	0.0	-66.74	334.43	6.42	-60.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NN=NN4C=C3)C[C@H]2C1	REAL300005311333	1	42	0.0	-73.45	334.47	6.29	-67.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C4CC4)CC3)C[C@H]2C1	REAL300005311334	0	54	0.0	-61.44	386.48	10.42	-51.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C4CC4)CC3)C[C@H]2C1	REAL300005311334	1	54	0.0	-60.59	386.90	10.71	-49.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4SC=CC4=NC=N3)C[C@H]2C1	REAL300005311335	0	42	0.0	-57.59	336.39	8.16	-49.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4SC=CC4=NC=N3)C[C@H]2C1	REAL300005311335	1	42	0.0	-66.02	336.82	8.04	-57.98
CCCCCCCCC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311336	0	61	0.0	-48.83	441.65	11.91	-36.92
CCCCCCCCC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311336	1	61	0.0	-60.90	445.70	11.90	-49.00
CN1N=CC(Cl)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311337	0	41	0.0	-64.31	334.51	6.46	-57.85
CN1N=CC(Cl)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311337	1	41	0.0	-60.09	335.87	6.41	-53.68
CC1=CC(F)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(F)=C1	REAL300005311338	0	44	0.0	-57.75	351.78	9.03	-48.72
CC1=CC(F)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(F)=C1	REAL300005311338	1	44	0.0	-67.98	351.16	8.96	-59.02
COC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC(C)C	REAL300005311339	0	55	0.0	-66.30	411.47	9.49	-56.81
COC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC(C)C	REAL300005311339	1	55	0.0	-68.75	411.43	9.74	-59.01
COCC(OC)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311340	0	45	0.0	-50.31	339.51	5.28	-45.03
COCC(OC)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311340	1	45	0.0	-61.34	336.00	5.38	-55.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CS3)C[C@H]2C1	REAL300005311341	0	42	0.0	-63.30	334.83	8.65	-54.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CS3)C[C@H]2C1	REAL300005311341	1	42	0.0	-63.76	336.98	8.59	-55.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4(CC4)C3)C[C@H]2C1	REAL300005311342	0	51	0.0	-60.42	371.63	9.81	-50.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4(CC4)C3)C[C@H]2C1	REAL300005311342	1	51	0.0	-64.87	370.89	9.75	-55.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@H]2C1	REAL300005311343	0	51	0.0	-65.75	395.97	8.36	-57.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@H]2C1	REAL300005311343	1	51	0.0	-69.31	390.88	8.38	-60.93
COC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311344	0	48	0.0	-64.70	358.27	8.08	-56.62
COC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311344	1	48	0.0	-76.66	356.04	8.08	-68.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=C(F)C=C4)N=C3)C[C@H]2C1	REAL300005311345	0	51	0.0	-55.62	403.37	8.29	-47.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=C(F)C=C4)N=C3)C[C@H]2C1	REAL300005311345	1	51	0.0	-63.72	401.90	8.30	-55.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=C4F)N=C3)C[C@H]2C1	REAL300005311346	0	51	0.0	-58.15	403.56	8.25	-49.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=C4F)N=C3)C[C@H]2C1	REAL300005311346	1	51	0.0	-70.20	401.01	8.21	-61.99
CN1C=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005311347	0	46	0.0	-72.78	354.98	6.35	-66.43
CN1C=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005311347	1	46	0.0	-70.00	355.17	6.40	-63.60
CCOCCOCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311348	0	54	0.0	-67.99	409.52	7.52	-60.47
CCOCCOCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311348	1	54	0.0	-73.75	409.48	7.16	-66.59
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CCCCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005311372	1	55	0.0	-66.32	385.09	9.60	-56.72
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CCC1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311382	0	48	0.0	-82.06	351.36	8.12	-73.94
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CC1OCCCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311384	1	48	0.0	-67.71	335.29	7.53	-60.18
COC1CCCC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005311385	0	54	0.0	-61.32	390.76	8.36	-52.96
COC1CCCC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005311385	1	54	0.0	-68.41	388.01	8.46	-59.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC(F)(F)C3)C[C@H]2C1	REAL300005311386	0	44	0.0	-75.31	337.83	8.32	-66.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC(F)(F)C3)C[C@H]2C1	REAL300005311386	1	44	0.0	-70.92	338.02	8.37	-62.55
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CCC(C)C(OC)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311388	0	50	0.0	-63.55	363.90	7.99	-55.56
CCC(C)C(OC)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311388	1	50	0.0	-67.52	364.41	8.00	-59.52
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COCCOC1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311389	1	58	0.0	-72.23	422.83	7.54	-64.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(C4CC4)=C3)C[C@H]2C1	REAL300005311390	0	51	0.0	-65.63	387.10	11.22	-54.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(C4CC4)=C3)C[C@H]2C1	REAL300005311390	1	51	0.0	-66.98	383.19	11.29	-55.69
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COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCC1	REAL300005311392	0	48	0.0	-79.09	345.57	7.59	-71.50
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCC1	REAL300005311392	1	48	0.0	-69.09	350.26	7.76	-61.33
CCOC1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005311393	0	48	0.0	-72.38	358.38	7.27	-65.11
CCOC1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005311393	1	48	0.0	-69.86	358.43	7.33	-62.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C(F)(F)F)C=C3)C[C@H]2C1	REAL300005311394	0	53	0.0	-71.85	398.66	10.51	-61.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C(F)(F)F)C=C3)C[C@H]2C1	REAL300005311394	1	53	0.0	-68.03	392.67	10.23	-57.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3CCC3)C3CCC3)C[C@H]2C1	REAL300005311395	0	54	0.0	-61.89	389.26	10.45	-51.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3CCC3)C3CCC3)C[C@H]2C1	REAL300005311395	1	54	0.0	-65.49	386.91	10.29	-55.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2C1	REAL300005311396	0	46	0.0	-68.57	331.32	6.42	-62.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2C1	REAL300005311396	1	46	0.0	-67.30	329.24	6.51	-60.79
CC1CCN2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C2C1	REAL300005311397	0	51	0.0	-58.20	377.99	9.55	-48.65
CC1CCN2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C2C1	REAL300005311397	1	51	0.0	-69.97	374.87	9.32	-60.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C[C@H]2C1	REAL300005311398	0	52	0.0	-68.65	379.80	8.28	-60.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C[C@H]2C1	REAL300005311398	1	52	0.0	-67.52	382.94	8.28	-59.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@H](CC4=CC=CC=C4)O3)C[C@H]2C1	REAL300005311399	0	55	0.0	-73.43	412.11	11.11	-62.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@H](CC4=CC=CC=C4)O3)C[C@H]2C1	REAL300005311399	1	55	0.0	-72.80	412.04	11.01	-61.79
CCC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)(C)C	REAL300005311400	0	55	0.0	-64.70	373.48	9.38	-55.32
CCC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)(C)C	REAL300005311400	1	55	0.0	-64.22	377.39	9.32	-54.90
CCC1=CC=C(F)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311401	0	47	0.0	-55.07	356.55	9.43	-45.64
CCC1=CC=C(F)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311401	1	47	0.0	-65.73	356.28	9.37	-56.36
COCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CS1	REAL300005311402	0	45	0.0	-77.02	352.71	6.78	-70.24
COCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CS1	REAL300005311402	1	45	0.0	-67.25	349.21	6.65	-60.60
CN1C=CC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C21	REAL300005311403	0	48	0.0	-68.45	365.00	9.80	-58.65
CN1C=CC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C21	REAL300005311403	1	48	0.0	-78.78	361.96	9.72	-69.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCO4)CCC3)C[C@H]2C1	REAL300005311404	0	55	0.0	-59.61	386.00	8.94	-50.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCO4)CCC3)C[C@H]2C1	REAL300005311404	1	55	0.0	-66.19	383.97	8.83	-57.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C([N+](=O)[O-])C=C4)CCC3)C[C@H]2C1	REAL300005311405	0	53	0.0	-55.74	391.93	10.69	-45.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C([N+](=O)[O-])C=C4)CCC3)C[C@H]2C1	REAL300005311405	1	53	0.0	-62.80	399.64	10.83	-51.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC(C(F)(F)F)=N3)C[C@H]2C1	REAL300005311406	0	52	0.0	-50.44	392.96	9.34	-41.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC(C(F)(F)F)=N3)C[C@H]2C1	REAL300005311406	1	52	0.0	-75.13	392.79	9.29	-65.84
COC1=CC=C(F)C(OC)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311407	0	49	0.0	-65.72	385.42	7.13	-58.59
COC1=CC=C(F)C(OC)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311407	1	49	0.0	-75.06	385.18	7.02	-68.04
CNC1=NC(C)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311408	0	47	0.0	-57.09	360.51	7.96	-49.13
CNC1=NC(C)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311408	1	47	0.0	-67.19	357.38	7.75	-59.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4=CC=CC=N4)N=N3)C[C@H]2C1	REAL300005311409	0	49	0.0	-57.52	387.06	6.91	-50.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4=CC=CC=N4)N=N3)C[C@H]2C1	REAL300005311409	1	49	0.0	-68.77	387.50	6.80	-61.97
COC1=CC2=C(C=C1C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)OCO2	REAL300005311410	0	48	0.0	-69.41	364.35	7.01	-62.40
COC1=CC2=C(C=C1C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)OCO2	REAL300005311410	1	48	0.0	-70.20	362.58	6.51	-63.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Cl)S3)C[C@H]2C1	REAL300005311411	0	42	0.0	-62.39	351.84	9.28	-53.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Cl)S3)C[C@H]2C1	REAL300005311411	1	42	0.0	-62.90	353.96	9.21	-53.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3OC(F)(F)F)C[C@H]2C1	REAL300005311412	0	49	0.0	-70.89	389.52	9.44	-61.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3OC(F)(F)F)C[C@H]2C1	REAL300005311412	1	49	0.0	-68.14	391.68	9.37	-58.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4CCOCC4)C=C3)C[C@H]2C1	REAL300005311413	0	52	0.0	-60.41	388.06	7.17	-53.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4CCOCC4)C=C3)C[C@H]2C1	REAL300005311413	1	52	0.0	-68.66	388.47	7.05	-61.61
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(C2=CC=CC=C2)O1	REAL300005311414	0	51	0.0	-68.23	386.26	10.59	-57.64
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(C2=CC=CC=C2)O1	REAL300005311414	1	51	0.0	-71.76	387.77	10.61	-61.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(F)(F)CC3)C[C@H]2C1	REAL300005311415	0	50	0.0	-73.60	367.76	9.48	-64.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(F)(F)CC3)C[C@H]2C1	REAL300005311415	1	50	0.0	-70.03	367.93	9.53	-60.50
CC1=CN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1C(F)(F)F	REAL300005311416	0	47	0.0	-88.31	378.66	8.07	-80.24
CC1=CN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1C(F)(F)F	REAL300005311416	1	47	0.0	-79.03	375.88	8.14	-70.89
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311417	0	51	0.0	-62.97	387.45	11.08	-51.89
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311417	1	51	0.0	-67.42	387.08	11.01	-56.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)F)N=CO3)C[C@H]2C1	REAL300005311418	0	40	0.0	-64.48	318.87	4.01	-60.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)F)N=CO3)C[C@H]2C1	REAL300005311418	1	40	0.0	-70.61	317.27	3.89	-66.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)F)O3)C[C@H]2C1	REAL300005311419	0	41	0.0	-60.85	326.93	7.47	-53.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)F)O3)C[C@H]2C1	REAL300005311419	1	41	0.0	-66.51	326.20	7.34	-59.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005311420	0	55	0.0	-68.18	418.85	12.99	-55.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005311420	1	55	0.0	-66.73	421.00	12.92	-53.81
CC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C(F)C=C1	REAL300005311421	0	48	0.0	-71.47	368.54	9.13	-62.34
CC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C(F)C=C1	REAL300005311421	1	48	0.0	-65.50	368.95	9.04	-56.46
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1CCCOC1	REAL300005311422	0	59	0.0	-64.99	416.28	9.26	-55.73
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1CCCOC1	REAL300005311422	1	59	0.0	-73.54	416.38	9.27	-64.27
CC1=NOC(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCOCC2)=C1	REAL300005311423	0	54	0.0	-49.91	390.72	7.25	-42.66
CC1=NOC(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCOCC2)=C1	REAL300005311423	1	54	0.0	-61.99	390.03	7.16	-54.83
CCOC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005311424	0	50	0.0	-74.98	365.30	8.28	-66.70
CCOC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005311424	1	50	0.0	-68.69	362.62	8.10	-60.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(F)=C3OC(F)(F)F)C[C@H]2C1	REAL300005311425	0	45	0.0	-85.89	364.32	8.83	-77.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(F)=C3OC(F)(F)F)C[C@H]2C1	REAL300005311425	1	45	0.0	-68.78	365.35	8.42	-60.36
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2CCOC2)=N1	REAL300005311426	0	51	0.0	-65.50	389.65	6.62	-58.88
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2CCOC2)=N1	REAL300005311426	1	51	0.0	-66.94	389.69	6.56	-60.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Cl)=CC(Cl)=C3)C[C@H]2C1	REAL300005311427	0	44	0.0	-67.28	369.03	10.12	-57.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Cl)=CC(Cl)=C3)C[C@H]2C1	REAL300005311427	1	44	0.0	-63.71	370.08	10.05	-53.66
CC1=CN2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C2C=C1	REAL300005311428	0	47	0.0	-57.91	361.56	9.92	-47.99
CC1=CN2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C2C=C1	REAL300005311428	1	47	0.0	-69.02	361.98	9.78	-59.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3CC3CCC3)C[C@H]2C1	REAL300005311429	0	51	0.0	-60.03	373.00	8.71	-51.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3CC3CCC3)C[C@H]2C1	REAL300005311429	1	51	0.0	-64.88	369.34	8.54	-56.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Cl)=CC4=CC=CC=C43)C[C@H]2C1	REAL300005311430	0	50	0.0	-69.89	394.99	11.68	-58.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Cl)=CC4=CC=CC=C43)C[C@H]2C1	REAL300005311430	1	50	0.0	-66.80	395.99	11.67	-55.13
COC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=C1	REAL300005311431	0	48	0.0	-66.08	375.67	8.65	-57.43
COC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=C1	REAL300005311431	1	48	0.0	-67.86	372.50	8.62	-59.24
COC1=CC=C2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1C	REAL300005311432	0	54	0.0	-71.20	416.20	9.54	-61.66
COC1=CC=C2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1C	REAL300005311432	1	54	0.0	-71.16	411.36	9.55	-61.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(F)C4=CC=CC=C34)C[C@H]2C1	REAL300005311433	0	51	0.0	-68.17	393.47	11.78	-56.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(F)C4=CC=CC=C34)C[C@H]2C1	REAL300005311433	1	51	0.0	-66.39	395.62	11.70	-54.69
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311434	0	55	0.0	-54.50	417.52	11.48	-43.02
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311434	1	55	0.0	-72.42	417.20	11.56	-60.86
CC1=CC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311435	0	44	0.0	-57.45	337.36	8.91	-48.54
CC1=CC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311435	1	44	0.0	-67.36	339.33	8.49	-58.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC3CCCC4)C[C@H]2C1	REAL300005311436	0	48	0.0	-63.41	344.90	8.91	-54.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC3CCCC4)C[C@H]2C1	REAL300005311436	1	48	0.0	-68.62	339.24	8.68	-59.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)CC3C3=CC=CC=C3)C[C@H]2C1	REAL300005311437	0	63	0.0	-65.75	434.70	12.35	-53.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)CC3C3=CC=CC=C3)C[C@H]2C1	REAL300005311437	1	63	0.0	-70.26	445.66	12.56	-57.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CC4(CCC4)C3)C[C@H]2C1	REAL300005311438	0	58	0.0	-55.12	421.25	12.07	-43.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CC4(CCC4)C3)C[C@H]2C1	REAL300005311438	1	58	0.0	-69.94	419.71	12.05	-57.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)F)CCC3)C[C@H]2C1	REAL300005311439	0	44	0.0	-70.87	325.17	7.59	-63.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)F)CCC3)C[C@H]2C1	REAL300005311439	1	44	0.0	-71.33	325.88	7.58	-63.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCCCO3)C[C@H]2C1	REAL300005311440	0	54	0.0	-76.62	372.60	8.48	-68.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCCCO3)C[C@H]2C1	REAL300005311440	1	54	0.0	-67.01	373.04	7.61	-59.40
CC(=CC1CCC(C)CC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311441	0	57	0.0	-62.42	393.73	10.89	-51.53
CC(=CC1CCC(C)CC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311441	1	57	0.0	-66.46	394.50	10.45	-56.01
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005311442	0	47	0.0	-65.03	359.62	8.51	-56.52
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005311442	1	47	0.0	-71.09	361.96	8.40	-62.69
CC1OC(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1C	REAL300005311443	0	51	0.0	-61.41	363.73	7.42	-53.99
CC1OC(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1C	REAL300005311443	1	51	0.0	-65.75	360.25	7.26	-58.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]34CCC[C@H]3OCC4)C[C@H]2C1	REAL300005311444	0	49	0.0	-76.86	345.58	6.82	-70.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]34CCC[C@H]3OCC4)C[C@H]2C1	REAL300005311444	1	49	0.0	-68.16	344.38	6.78	-61.38
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311445	0	59	0.0	-64.96	400.60	11.07	-53.89
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311445	1	59	0.0	-68.78	401.26	11.10	-57.68
CC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005311446	0	57	0.0	-64.16	392.29	11.33	-52.83
CC1=CC=CC=C1C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005311446	1	57	0.0	-71.88	389.69	10.83	-61.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311447	0	51	0.0	-66.44	383.51	10.69	-55.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311447	1	51	0.0	-65.22	375.26	10.46	-54.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C(F)F)=C3)C[C@H]2C1	REAL300005311448	0	41	0.0	-69.43	325.65	7.19	-62.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C(F)F)=C3)C[C@H]2C1	REAL300005311448	1	41	0.0	-76.40	325.01	7.19	-69.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C4CC4)C3)C[C@H]2C1	REAL300005311449	0	48	0.0	-61.79	358.30	9.57	-52.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C4CC4)C3)C[C@H]2C1	REAL300005311449	1	48	0.0	-62.00	354.13	9.44	-52.56
CSCCCCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311450	0	53	0.0	-63.41	407.74	10.83	-52.58
CSCCCCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311450	1	53	0.0	-69.77	407.70	10.47	-59.30
CCC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005311451	0	53	0.0	-70.23	407.63	11.03	-59.20
CCC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005311451	1	53	0.0	-71.45	403.82	11.06	-60.39
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CN=CC=N1	REAL300005311452	0	53	0.0	-67.08	399.51	9.01	-58.07
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CN=CC=N1	REAL300005311452	1	53	0.0	-77.33	398.64	9.22	-68.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CSC=C3)C[C@H]2C1	REAL300005311453	0	45	0.0	-62.10	356.77	9.37	-52.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CSC=C3)C[C@H]2C1	REAL300005311453	1	45	0.0	-66.40	356.40	9.30	-57.10
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300005311454	0	47	0.0	-57.39	361.50	9.44	-47.95
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300005311454	1	47	0.0	-77.24	362.77	9.53	-67.71
CCOC1=CC=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311455	0	54	0.0	-61.43	409.79	10.50	-50.93
CCOC1=CC=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311455	1	54	0.0	-68.76	409.74	10.15	-58.61
CC1C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1C1CC1	REAL300005311456	0	48	0.0	-60.28	346.58	9.88	-50.40
CC1C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1C1CC1	REAL300005311456	1	48	0.0	-65.89	344.17	9.34	-56.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC34CC4)C[C@H]2C1	REAL300005311457	0	48	0.0	-75.03	347.31	9.11	-65.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC34CC4)C[C@H]2C1	REAL300005311457	1	48	0.0	-69.73	349.66	9.06	-60.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)COC4=CC=CC=C4O3)C[C@H]2C1	REAL300005311458	0	50	0.0	-63.37	375.27	8.26	-55.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)COC4=CC=CC=C4O3)C[C@H]2C1	REAL300005311458	1	50	0.0	-67.84	367.73	7.95	-59.89
CC1=CN2C=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C2S1	REAL300005311459	0	47	0.0	-76.55	377.09	9.73	-66.82
CC1=CN2C=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C2S1	REAL300005311459	1	47	0.0	-83.95	377.46	9.69	-74.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4=CC=CC=C4O3)C[C@H]2C1	REAL300005311460	0	49	0.0	-63.97	369.75	9.62	-54.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4=CC=CC=C4O3)C[C@H]2C1	REAL300005311460	1	49	0.0	-67.83	372.19	9.66	-58.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC4CCC3C4)C[C@H]2C1	REAL300005311461	0	51	0.0	-61.28	348.40	8.95	-52.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC4CCC3C4)C[C@H]2C1	REAL300005311461	1	51	0.0	-62.40	348.76	8.91	-53.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCC(F)(F)CC3)C[C@H]2C1	REAL300005311462	0	50	0.0	-64.90	353.92	8.53	-56.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCC(F)(F)CC3)C[C@H]2C1	REAL300005311462	1	50	0.0	-66.16	351.71	8.41	-57.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CSC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311463	0	45	0.0	-67.80	375.22	9.72	-58.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CSC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311463	1	45	0.0	-65.73	377.37	9.66	-56.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C[C@H]2C1	REAL300005311464	0	50	0.0	-65.48	361.09	9.13	-56.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C[C@H]2C1	REAL300005311464	1	50	0.0	-71.41	358.04	8.96	-62.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=C(F)C=CC=C3Cl)C[C@H]2C1	REAL300005311465	0	48	0.0	-60.06	382.97	10.80	-49.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=C(F)C=CC=C3Cl)C[C@H]2C1	REAL300005311465	1	48	0.0	-69.44	378.65	10.61	-58.83
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CC(C(F)(F)F)=N1	REAL300005311466	0	47	0.0	-49.74	375.67	8.10	-41.64
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CC(C(F)(F)F)=N1	REAL300005311466	1	47	0.0	-79.70	372.31	7.66	-72.04
CC1=CC(C)=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005311467	0	54	0.0	-65.33	400.57	11.30	-54.03
CC1=CC(C)=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005311467	1	54	0.0	-64.89	402.70	11.23	-53.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005311468	0	48	0.0	-72.57	378.20	10.40	-62.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005311468	1	48	0.0	-69.52	380.35	10.33	-59.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C4NC=CC4=C3)C[C@H]2C1	REAL300005311469	0	49	0.0	-62.99	378.51	9.62	-53.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C4NC=CC4=C3)C[C@H]2C1	REAL300005311469	1	49	0.0	-68.09	378.15	9.55	-58.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CCCC4)N=C3)C[C@H]2C1	REAL300005311470	0	54	0.0	-64.23	397.68	9.33	-54.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CCCC4)N=C3)C[C@H]2C1	REAL300005311470	1	54	0.0	-66.92	399.18	9.20	-57.72
COCCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311471	0	48	0.0	-56.70	369.09	5.69	-51.01
COCCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311471	1	48	0.0	-71.12	366.95	5.68	-65.44
CC1=CC=CC(COC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311472	0	54	0.0	-79.07	407.58	10.61	-68.46
CC1=CC=CC(COC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311472	1	54	0.0	-69.13	405.00	10.74	-58.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@@H](C4=CC=CC=C4)C3(C)C)C[C@H]2C1	REAL300005311473	0	54	0.0	-64.41	395.53	11.34	-53.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@@H](C4=CC=CC=C4)C3(C)C)C[C@H]2C1	REAL300005311473	1	54	0.0	-67.68	401.87	11.27	-56.41
COC1=CC(C)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311474	0	51	0.0	-70.82	378.99	8.70	-62.12
COC1=CC(C)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311474	1	51	0.0	-61.31	374.75	8.79	-52.52
COCCN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311475	0	51	0.0	-65.74	383.11	6.17	-59.57
COCCN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311475	1	51	0.0	-61.02	379.98	6.26	-54.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005311476	0	51	0.0	-74.35	384.36	10.96	-63.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005311476	1	51	0.0	-69.22	382.75	10.83	-58.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC4=CC(Cl)=CC=C34)C[C@H]2C1	REAL300005311477	0	47	0.0	-75.59	381.15	9.95	-65.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC4=CC(Cl)=CC=C34)C[C@H]2C1	REAL300005311477	1	47	0.0	-69.56	382.67	9.90	-59.66
CCC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC=C1	REAL300005311478	0	51	0.0	-59.47	383.06	10.19	-49.28
CCC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC=C1	REAL300005311478	1	51	0.0	-72.08	383.51	9.86	-62.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(F)C4=C3CCCC4)C[C@H]2C1	REAL300005311479	0	57	0.0	-70.60	419.73	12.15	-58.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(F)C4=C3CCCC4)C[C@H]2C1	REAL300005311479	1	57	0.0	-67.49	419.93	12.20	-55.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@H]2C1	REAL300005311480	0	46	0.0	-62.21	341.02	6.42	-55.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@H]2C1	REAL300005311480	1	46	0.0	-66.08	343.66	6.60	-59.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(F)C4=CC=CC=C34)C[C@H]2C1	REAL300005311481	0	53	0.0	-71.61	406.24	12.03	-59.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(F)C4=CC=CC=C34)C[C@H]2C1	REAL300005311481	1	53	0.0	-68.92	406.37	12.06	-56.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC5=CC(Cl)=CC=C5C43)C[C@H]2C1	REAL300005311482	0	49	0.0	-74.06	378.75	11.31	-62.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC5=CC(Cl)=CC=C5C43)C[C@H]2C1	REAL300005311482	1	49	0.0	-69.96	380.72	11.25	-58.71
CC1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)O1	REAL300005311483	0	48	0.0	-61.54	350.38	6.83	-54.71
CC1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)O1	REAL300005311483	1	48	0.0	-68.73	349.21	6.69	-62.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CC3C3CC34)C[C@H]2C1	REAL300005311484	0	49	0.0	-75.25	344.38	9.37	-65.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CC3C3CC34)C[C@H]2C1	REAL300005311484	1	49	0.0	-66.20	346.95	9.31	-56.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=C(Cl)C=C43)C[C@H]2C1	REAL300005311485	0	45	0.0	-72.80	358.92	10.15	-62.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=C(Cl)C=C43)C[C@H]2C1	REAL300005311485	1	45	0.0	-65.25	357.67	10.14	-55.11
CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005311486	0	47	0.0	-67.54	352.12	7.23	-60.31
CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005311486	1	47	0.0	-64.21	352.68	7.37	-56.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=C(C(F)(F)F)SC=C3)C[C@H]2C1	REAL300005311487	0	45	0.0	-71.39	370.28	9.54	-61.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=C(C(F)(F)F)SC=C3)C[C@H]2C1	REAL300005311487	1	45	0.0	-68.42	372.41	9.47	-58.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCOCC4)C=C3)C[C@H]2C1	REAL300005311488	0	55	0.0	-68.42	401.84	9.37	-59.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCOCC4)C=C3)C[C@H]2C1	REAL300005311488	1	55	0.0	-69.54	396.34	9.10	-60.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(C(F)F)C=C3)C[C@H]2C1	REAL300005311489	0	50	0.0	-62.11	390.61	11.14	-50.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(C(F)F)C=C3)C[C@H]2C1	REAL300005311489	1	50	0.0	-69.10	390.57	10.79	-58.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C(F)F)=C3)C[C@H]2C1	REAL300005311490	0	43	0.0	-60.58	334.44	7.01	-53.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C(F)F)=C3)C[C@H]2C1	REAL300005311490	1	43	0.0	-65.17	334.53	6.91	-58.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCC[C@@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005311491	0	57	0.0	-64.74	401.31	11.67	-53.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCC[C@@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005311491	1	57	0.0	-64.48	401.51	11.60	-52.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC=CC3=O)C[C@H]2C1	REAL300005311492	0	44	0.0	-71.47	339.95	7.68	-63.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC=CC3=O)C[C@H]2C1	REAL300005311492	1	44	0.0	-69.69	339.81	7.56	-62.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=NNC4=CC=C3)C[C@H]2C1	REAL300005311493	0	44	0.0	-62.83	337.57	6.67	-56.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=NNC4=CC=C3)C[C@H]2C1	REAL300005311493	1	44	0.0	-66.89	334.19	6.46	-60.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NNC=C43)C[C@H]2C1	REAL300005311493	1	44	0.0	-69.09	336.47	6.68	-62.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NNC=C43)C[C@H]2C1	REAL300005311493	1	44	0.0	-65.16	338.77	6.66	-58.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCCC3=O)C[C@H]2C1	REAL300005311494	0	48	0.0	-72.48	358.72	7.34	-65.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCCC3=O)C[C@H]2C1	REAL300005311494	1	48	0.0	-63.88	358.35	7.31	-56.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=C(Cl)C=N3)C[C@H]2C1	REAL300005311495	0	44	0.0	-68.50	356.25	7.56	-60.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=C(Cl)C=N3)C[C@H]2C1	REAL300005311495	1	44	0.0	-65.60	356.44	7.60	-58.00
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1CC1	REAL300005311496	0	48	0.0	-60.55	365.92	8.34	-52.21
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1CC1	REAL300005311496	1	48	0.0	-71.99	365.07	8.36	-63.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC=CN=C43)C[C@H]2C1	REAL300005311497	0	46	0.0	-66.20	350.93	8.97	-57.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC=CN=C43)C[C@H]2C1	REAL300005311497	1	46	0.0	-86.53	350.05	8.69	-77.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CC=N3)C[C@H]2C1	REAL300005311498	0	44	0.0	-69.41	339.19	7.05	-62.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CC=N3)C[C@H]2C1	REAL300005311498	1	44	0.0	-64.90	340.51	7.00	-57.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CN=C3)C[C@H]2C1	REAL300005311499	0	43	0.0	-67.92	333.30	7.31	-60.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CN=C3)C[C@H]2C1	REAL300005311499	1	43	0.0	-71.83	332.95	7.24	-64.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=NC=C3)C[C@H]2C1	REAL300005311500	0	46	0.0	-62.96	353.31	8.51	-54.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=NC=C3)C[C@H]2C1	REAL300005311500	1	46	0.0	-69.40	353.26	8.16	-61.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CN=CC=C43)C[C@H]2C1	REAL300005311501	0	46	0.0	-74.98	346.89	8.44	-66.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CN=CC=C43)C[C@H]2C1	REAL300005311501	1	46	0.0	-60.76	347.93	8.41	-52.35
CN1C=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311502	0	44	0.0	-70.92	340.68	6.92	-64.00
CN1C=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311502	1	44	0.0	-71.97	337.03	6.99	-64.98
CN(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005311503	0	48	0.0	-63.77	355.64	7.84	-55.93
CN(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005311503	1	48	0.0	-68.93	356.77	7.67	-61.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CN=C3)C[C@H]2C1	REAL300005311504	0	43	0.0	-67.92	333.30	7.31	-60.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CN=C3)C[C@H]2C1	REAL300005311504	1	43	0.0	-71.83	332.95	7.24	-64.59
CN1C=NC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005311505	0	47	0.0	-55.85	354.01	9.23	-46.62
CN1C=NC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005311505	1	47	0.0	-85.31	356.63	9.30	-76.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=NC=N3)C[C@H]2C1	REAL300005311506	0	45	0.0	-60.51	347.61	8.29	-52.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=NC=N3)C[C@H]2C1	REAL300005311506	1	45	0.0	-67.69	347.57	7.95	-59.74
CN1N=CC=C1COCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311507	0	48	0.0	-72.16	373.82	7.20	-64.96
CN1N=CC=C1COCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311507	1	48	0.0	-74.12	373.11	7.13	-66.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=N3)C[C@H]2C1	REAL300005311508	0	46	0.0	-71.36	352.38	8.11	-63.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC=N3)C[C@H]2C1	REAL300005311508	1	46	0.0	-66.28	353.71	8.05	-58.23
CC1=CC(=O)N(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311509	0	47	0.0	-79.96	364.12	8.32	-71.64
CC1=CC(=O)N(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311509	1	47	0.0	-89.99	361.26	8.22	-81.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=NNC=C4C=C3)C[C@H]2C1	REAL300005311510	0	47	0.0	-74.00	364.12	7.83	-66.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=NNC=C4C=C3)C[C@H]2C1	REAL300005311510	1	47	0.0	-76.60	360.31	7.86	-68.74
CC(C)CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311511	0	50	0.0	-55.38	376.70	8.16	-47.22
CC(C)CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311511	1	50	0.0	-70.45	370.12	8.20	-62.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CN=C3)C[C@H]2C1	REAL300005311513	0	49	0.0	-65.04	355.45	8.21	-56.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CN=C3)C[C@H]2C1	REAL300005311513	1	49	0.0	-59.35	351.44	7.92	-51.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=CC=NC=C43)C[C@H]2C1	REAL300005311514	0	45	0.0	-82.75	343.07	6.57	-76.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=CC=NC=C43)C[C@H]2C1	REAL300005311514	1	45	0.0	-79.93	342.80	6.60	-73.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)N=CO3)C[C@H]2C1	REAL300005311515	0	44	0.0	-74.89	336.16	5.34	-69.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)N=CO3)C[C@H]2C1	REAL300005311515	1	44	0.0	-69.76	337.81	5.40	-64.36
COC1=NSC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311516	0	41	0.0	-60.80	328.68	3.89	-56.91
COC1=NSC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311516	1	41	0.0	-60.90	328.73	3.79	-57.11
CC1=CC2=C(SC=C2CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311517	0	47	0.0	-75.03	385.99	10.31	-64.72
CC1=CC2=C(SC=C2CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311517	1	47	0.0	-65.76	386.12	10.27	-55.49
CCOC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOC1	REAL300005311518	0	52	0.0	-79.81	381.21	7.10	-72.71
CCOC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOC1	REAL300005311518	1	52	0.0	-65.44	375.56	6.34	-59.10
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C(C)(C)C	REAL300005311519	0	55	0.0	-75.74	371.83	9.58	-66.16
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C(C)(C)C	REAL300005311519	1	55	0.0	-68.71	369.17	8.81	-59.90
COC1=CC=CC(C(C)(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311520	0	54	0.0	-62.10	387.61	9.13	-52.97
COC1=CC=CC(C(C)(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311520	1	54	0.0	-69.94	384.76	9.24	-60.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC(C)(C)C)C=C3)C[C@H]2C1	REAL300005311521	0	56	0.0	-68.44	405.81	11.01	-57.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC(C)(C)C)C=C3)C[C@H]2C1	REAL300005311521	1	56	0.0	-68.77	400.31	10.74	-58.03
CCOC1COCCC1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311522	0	55	0.0	-58.72	401.73	7.35	-51.37
CCOC1COCCC1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311522	1	55	0.0	-62.67	400.98	7.30	-55.37
CCC1CCCCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311523	0	53	0.0	-48.07	375.81	9.62	-38.45
CCC1CCCCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311523	1	53	0.0	-65.13	363.37	9.35	-55.78
CCOC1CC2(CC2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005311524	0	52	0.0	-74.16	389.52	8.71	-65.45
CCOC1CC2(CC2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005311524	1	52	0.0	-72.27	388.94	8.73	-63.54
CCC1=CC2=C(SC=C2CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311525	0	50	0.0	-74.70	407.48	11.08	-63.62
CCC1=CC2=C(SC=C2CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311525	1	50	0.0	-69.49	409.06	11.03	-58.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C(F)F)N=C3)C[C@H]2C1	REAL300005311526	0	41	0.0	-66.93	323.56	5.91	-61.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C(F)F)N=C3)C[C@H]2C1	REAL300005311526	1	41	0.0	-72.49	325.10	5.94	-66.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)(F)F)=NC=N3)C[C@H]2C1	REAL300005311527	0	42	0.0	-57.82	341.69	7.93	-49.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)(F)F)=NC=N3)C[C@H]2C1	REAL300005311527	1	42	0.0	-63.97	342.68	7.88	-56.09
CCCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311528	0	47	0.0	-76.80	362.91	9.26	-67.54
CCCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311528	1	47	0.0	-69.29	363.85	9.30	-59.99
CCOCCCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311529	0	53	0.0	-75.37	396.81	8.45	-66.92
CCOCCCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311529	1	53	0.0	-71.31	396.99	8.49	-62.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3CCOCC3)C[C@H]2C1	REAL300005311530	0	55	0.0	-67.96	407.10	7.56	-60.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3CCOCC3)C[C@H]2C1	REAL300005311530	1	55	0.0	-73.15	407.05	7.20	-65.95
CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005311531	0	51	0.0	-58.50	387.10	8.83	-49.67
CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005311531	1	51	0.0	-72.86	379.98	8.60	-64.26
CSC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005311532	0	42	0.0	-66.66	335.05	7.29	-59.37
CSC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005311532	1	42	0.0	-69.93	335.51	7.18	-62.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4C=CC=CN34)C[C@H]2C1	REAL300005311533	0	44	0.0	-77.60	333.61	8.30	-69.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4C=CC=CN34)C[C@H]2C1	REAL300005311533	1	44	0.0	-74.69	332.24	8.29	-66.40
CCN1CCOCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311534	0	50	0.0	-59.12	362.54	4.53	-54.59
CCN1CCOCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311534	1	50	0.0	-66.97	361.28	4.40	-62.57
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005311535	0	50	0.0	-79.39	376.66	9.17	-70.22
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005311535	1	50	0.0	-60.99	371.38	9.24	-51.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COCCN3C3CCCC3)C[C@H]2C1	REAL300005311536	0	57	0.0	-59.53	398.44	6.18	-53.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COCCN3C3CCCC3)C[C@H]2C1	REAL300005311536	1	57	0.0	-69.98	396.31	5.99	-63.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCCCN34)C[C@H]2C1	REAL300005311537	0	48	0.0	-64.25	348.79	8.00	-56.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCCCN34)C[C@H]2C1	REAL300005311537	1	48	0.0	-63.76	351.30	8.00	-55.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C3CC3)C[C@H]2C1	REAL300005311538	1	50	0.0	-60.92	358.96	6.63	-54.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C3CC3)C[C@H]2C1	REAL300005311538	1	50	0.0	-69.20	362.11	6.86	-62.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(CC(F)(F)F)C3)C[C@H]2C1	REAL300005311539	0	49	0.0	-61.65	370.90	6.23	-55.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(CC(F)(F)F)C3)C[C@H]2C1	REAL300005311539	1	49	0.0	-64.79	366.67	5.85	-58.94
CCCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=N1	REAL300005311540	0	52	0.0	-71.78	388.95	9.08	-62.70
CCCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=N1	REAL300005311540	1	52	0.0	-63.04	382.90	8.97	-54.07
CN1N=NC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CN=C21	REAL300005311541	0	45	0.0	-85.76	347.48	5.77	-79.99
CN1N=NC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CN=C21	REAL300005311541	1	45	0.0	-70.95	346.35	5.64	-65.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CN=C4)CCCC3)C[C@H]2C1	REAL300005311542	0	53	0.0	-73.59	375.40	9.50	-64.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CN=C4)CCCC3)C[C@H]2C1	REAL300005311542	1	53	0.0	-61.15	377.08	8.83	-52.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CC=CN=C43)C[C@H]2C1	REAL300005311543	0	47	0.0	-72.97	352.72	8.17	-64.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CC=CN=C43)C[C@H]2C1	REAL300005311543	1	47	0.0	-64.72	348.20	8.60	-56.12
CC1=NC=C2CCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CN12	REAL300005311544	0	51	0.0	-54.59	374.76	9.05	-45.54
CC1=NC=C2CCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CN12	REAL300005311544	1	51	0.0	-66.31	376.41	8.95	-57.36
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311546	0	55	0.0	-63.79	403.66	10.32	-53.47
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311546	1	55	0.0	-69.44	409.15	10.31	-59.13
CC(CC1=CNC=N1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311547	0	47	0.0	-64.32	345.99	8.19	-56.13
CC(CC1=CNC=N1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311547	1	47	0.0	-64.78	351.75	7.58	-57.20
CC(CC1=CN=CN1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311547	1	47	0.0	-67.66	352.74	7.67	-59.99
CC(CC1=CN=CN1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311547	1	47	0.0	-68.11	349.23	7.43	-60.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCCN34)C[C@H]2C1	REAL300005311548	0	45	0.0	-66.86	334.18	7.44	-59.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCCN34)C[C@H]2C1	REAL300005311548	1	45	0.0	-66.00	336.40	7.47	-58.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005311549	0	53	0.0	-72.93	400.68	12.00	-60.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005311549	1	53	0.0	-70.42	400.88	12.04	-58.38
CC(CCC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311550	0	53	0.0	-51.50	404.74	11.14	-40.36
CC(CCC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311550	1	53	0.0	-68.48	398.82	10.87	-57.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311551	0	53	0.0	-71.43	388.61	10.68	-60.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311551	1	53	0.0	-67.49	388.77	10.75	-56.74
COCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005311552	0	48	0.0	-63.89	365.89	7.88	-56.01
COCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005311552	1	48	0.0	-69.86	366.99	7.94	-61.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC34CCOCC4)C[C@H]2C1	REAL300005311553	0	52	0.0	-63.14	361.12	7.58	-55.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC34CCOCC4)C[C@H]2C1	REAL300005311553	1	52	0.0	-71.48	369.34	7.53	-63.95
CCOC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOCC1	REAL300005311554	0	55	0.0	-77.71	398.37	7.78	-69.93
CCOC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOCC1	REAL300005311554	1	55	0.0	-70.09	394.97	7.57	-62.52
CCOC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300005311555	0	54	0.0	-75.67	390.31	9.62	-66.05
CCOC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300005311555	1	54	0.0	-63.65	383.42	9.07	-54.58
CC1CC1C1CC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311556	0	48	0.0	-73.04	355.67	9.53	-63.51
CC1CC1C1CC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311556	1	48	0.0	-67.14	356.89	9.45	-57.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CC(C)(C)OC4=C3)C[C@H]2C1	REAL300005311557	0	52	0.0	-69.35	384.44	9.13	-60.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CC(C)(C)OC4=C3)C[C@H]2C1	REAL300005311557	1	52	0.0	-72.51	384.63	9.03	-63.48
CCN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311558	0	47	0.0	-64.56	350.21	7.10	-57.46
CCN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311558	1	47	0.0	-67.77	350.48	7.01	-60.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C5CC5)C=CC=C4N3)C[C@H]2C1	REAL300005311559	0	52	0.0	-76.52	390.39	10.50	-66.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C5CC5)C=CC=C4N3)C[C@H]2C1	REAL300005311559	1	52	0.0	-69.25	391.43	10.48	-58.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CC4)N=C3)C[C@H]2C1	REAL300005311560	0	48	0.0	-64.41	363.82	8.21	-56.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CC4)N=C3)C[C@H]2C1	REAL300005311560	1	48	0.0	-67.34	365.32	8.08	-59.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2C1	REAL300005311561	0	49	0.0	-60.39	345.89	8.68	-51.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2C1	REAL300005311561	1	49	0.0	-69.47	349.81	7.99	-61.48
CC1=CC2=C(S1)C(CC(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)=CS2	REAL300005311562	0	47	0.0	-62.47	387.29	10.31	-52.16
CC1=CC2=C(S1)C(CC(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)=CS2	REAL300005311562	1	47	0.0	-66.05	386.50	10.23	-55.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=C(F)C=CC=C4S3)C[C@H]2C1	REAL300005311563	0	44	0.0	-63.64	363.73	9.89	-53.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C4=C(F)C=CC=C4S3)C[C@H]2C1	REAL300005311563	1	44	0.0	-62.49	359.47	10.07	-52.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(=O)C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311564	0	43	0.0	-64.17	335.89	8.26	-55.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(=O)C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311564	1	43	0.0	-61.13	337.34	8.18	-52.95
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CN1C	REAL300005311565	0	45	0.0	-66.68	332.94	8.17	-58.51
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CN1C	REAL300005311565	1	45	0.0	-69.56	333.16	8.03	-61.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CC4)O3)C[C@H]2C1	REAL300005311566	0	44	0.0	-54.62	336.65	5.35	-49.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CC4)O3)C[C@H]2C1	REAL300005311566	1	44	0.0	-55.07	337.96	5.34	-49.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4O)=NN3)C[C@H]2C1	REAL300005311567	0	49	0.0	-74.96	377.62	5.87	-69.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4O)=NN3)C[C@H]2C1	REAL300005311567	1	49	0.0	-67.43	378.31	5.78	-61.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=CC=C4O)=C3)C[C@H]2C1	REAL300005311567	1	49	0.0	-71.63	382.40	5.92	-65.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=CC=C4O)=C3)C[C@H]2C1	REAL300005311567	1	49	0.0	-67.81	383.97	5.76	-62.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCOC3)C[C@H]2C1	REAL300005311568	0	43	0.0	-71.86	324.61	5.14	-66.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCOC3)C[C@H]2C1	REAL300005311568	1	43	0.0	-59.58	319.62	4.90	-54.68
CC1=NC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311569	0	43	0.0	-80.47	335.36	4.70	-75.77
CC1=NC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005311569	1	43	0.0	-74.66	336.40	4.66	-70.00
CCC1CCCC1(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311570	0	53	0.0	-76.01	361.09	9.65	-66.36
CCC1CCCC1(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311570	1	53	0.0	-64.47	363.27	9.19	-55.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]3(C4=CC=CC=C4)C[C@@H](F)C3)C[C@H]2C1	REAL300005311571	0	51	0.0	-62.11	382.03	10.48	-51.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]3(C4=CC=CC=C4)C[C@@H](F)C3)C[C@H]2C1	REAL300005311571	1	51	0.0	-68.30	380.58	10.35	-57.95
CC1=CC(C)=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311572	0	47	0.0	-64.54	368.97	9.56	-54.98
CC1=CC(C)=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005311572	1	47	0.0	-64.52	367.90	9.53	-54.99
CCN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1CC1	REAL300005311573	0	51	0.0	-64.43	375.73	8.42	-56.01
CCN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1CC1	REAL300005311573	1	51	0.0	-68.41	374.10	8.29	-60.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)(F)C3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005311574	0	56	0.0	-69.42	420.06	11.32	-58.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)(F)C3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005311574	1	56	0.0	-65.18	419.24	11.37	-53.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3F)C[C@H]2C1	REAL300005311575	0	45	0.0	-70.79	350.19	9.62	-61.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3F)C[C@H]2C1	REAL300005311575	1	45	0.0	-68.38	352.34	9.54	-58.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C4OCOC4=C3)C[C@H]2C1	REAL300005311576	0	48	0.0	-70.49	370.71	8.26	-62.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C4OCOC4=C3)C[C@H]2C1	REAL300005311576	1	48	0.0	-68.30	372.86	8.18	-60.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311577	0	45	0.0	-66.51	351.08	9.65	-56.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311577	1	45	0.0	-65.14	353.22	9.57	-55.57
COC1=CC=C(C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=NO2)C=C1	REAL300005311578	0	51	0.0	-55.51	398.15	8.89	-46.62
COC1=CC=C(C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=NO2)C=C1	REAL300005311578	1	51	0.0	-67.37	397.27	8.93	-58.44
CCC1=CC=C(C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=NO2)C=C1	REAL300005311579	0	53	0.0	-54.27	411.60	11.03	-43.24
CCC1=CC=C(C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=NO2)C=C1	REAL300005311579	1	53	0.0	-66.49	410.72	11.06	-55.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005311580	0	53	0.0	-72.38	396.82	10.81	-61.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005311580	1	53	0.0	-65.18	397.79	11.04	-54.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005311581	0	50	0.0	-55.67	360.13	10.02	-45.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005311581	1	50	0.0	-65.43	360.07	9.84	-55.59
C=CCCCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005311582	0	57	0.0	-70.27	425.47	12.06	-58.21
C=CCCCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005311582	1	57	0.0	-64.74	422.45	11.89	-52.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)OCCC4=CC=CC=C43)C[C@H]2C1	REAL300005311583	0	52	0.0	-66.30	375.17	8.93	-57.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)OCCC4=CC=CC=C43)C[C@H]2C1	REAL300005311583	1	52	0.0	-64.45	376.00	8.81	-55.64
CC1=CC=C(Cl)C=C1OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311584	0	48	0.0	-62.40	384.36	10.26	-52.14
CC1=CC=C(Cl)C=C1OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311584	1	48	0.0	-69.95	384.71	10.21	-59.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4(CC4)C34CC4)C[C@H]2C1	REAL300005311585	0	46	0.0	-61.23	353.45	9.81	-51.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4(CC4)C34CC4)C[C@H]2C1	REAL300005311585	1	46	0.0	-70.27	351.57	9.79	-60.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C(C)(C)C)(C3)C4)C[C@H]2C1	REAL300005311586	0	54	0.0	-65.20	393.04	10.31	-54.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C(C)(C)C)(C3)C4)C[C@H]2C1	REAL300005311586	1	54	0.0	-64.54	391.60	10.40	-54.14
CC1=CC(C(F)(F)F)=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311587	0	45	0.0	-78.72	363.77	7.99	-70.73
CC1=CC(C(F)(F)F)=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311587	1	45	0.0	-68.96	363.48	7.96	-61.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)F)C=CS3)C[C@H]2C1	REAL300005311588	0	41	0.0	-80.39	325.67	7.79	-72.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)F)C=CS3)C[C@H]2C1	REAL300005311588	1	41	0.0	-69.63	327.29	7.88	-61.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311589	0	51	0.0	-67.88	404.76	11.41	-56.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311589	1	51	0.0	-70.60	404.74	11.35	-59.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(C)(C)CO3)C[C@H]2C1	REAL300005311590	0	54	0.0	-63.59	388.00	9.50	-54.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(C)(C)CO3)C[C@H]2C1	REAL300005311590	1	54	0.0	-64.92	388.47	9.07	-55.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)CC(F)F)C[C@H]2C1	REAL300005311591	0	49	0.0	-62.04	352.82	8.82	-53.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)CC(F)F)C[C@H]2C1	REAL300005311591	1	49	0.0	-67.08	354.73	8.74	-58.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCCS3(=O)=O)C[C@H]2C1	REAL300005311592	0	49	0.0	-82.91	375.02	4.72	-78.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCCS3(=O)=O)C[C@H]2C1	REAL300005311592	1	49	0.0	-67.66	374.13	4.69	-62.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC=CCC3)C[C@H]2C1	REAL300005311593	0	48	0.0	-46.16	344.11	9.26	-36.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC=CCC3)C[C@H]2C1	REAL300005311593	1	48	0.0	-69.11	342.56	8.75	-60.36
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CNN=C2C=C1	REAL300005311594	0	47	0.0	-70.91	362.36	7.47	-63.44
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CNN=C2C=C1	REAL300005311594	1	47	0.0	-69.66	363.70	7.39	-62.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(F)F)C(Cl)=C3)C[C@H]2C1	REAL300005311595	0	45	0.0	-61.29	362.31	8.05	-53.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(F)F)C(Cl)=C3)C[C@H]2C1	REAL300005311595	1	45	0.0	-71.69	363.42	8.13	-63.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC4=C(F)C=CC=C43)C[C@H]2C1	REAL300005311596	0	49	0.0	-70.55	370.07	8.67	-61.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC4=C(F)C=CC=C43)C[C@H]2C1	REAL300005311596	1	49	0.0	-72.78	373.05	8.69	-64.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(S(C)(=O)=O)CC3)C[C@H]2C1	REAL300005311597	0	53	0.0	-89.45	391.91	5.64	-83.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(S(C)(=O)=O)CC3)C[C@H]2C1	REAL300005311597	1	53	0.0	-71.05	397.80	5.75	-65.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC(F)=C4)S3)C[C@H]2C1	REAL300005311598	0	48	0.0	-54.11	385.54	10.73	-43.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC(F)=C4)S3)C[C@H]2C1	REAL300005311598	1	48	0.0	-66.72	384.29	10.74	-55.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=C(C(F)F)C=C3C3CC3)C[C@H]2C1	REAL300005311599	0	51	0.0	-74.42	402.90	9.28	-65.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=C(C(F)F)C=C3C3CC3)C[C@H]2C1	REAL300005311599	1	51	0.0	-69.61	402.26	9.18	-60.43
CCC(CC1=CC=CC(C)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311600	0	56	0.0	-59.95	415.58	11.54	-48.41
CCC(CC1=CC=CC(C)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311600	1	56	0.0	-64.63	414.74	11.46	-53.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OC(C)(C)C)=C3)C[C@H]2C1	REAL300005311601	0	54	0.0	-83.68	388.54	9.06	-74.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OC(C)(C)C)=C3)C[C@H]2C1	REAL300005311601	1	54	0.0	-79.26	389.35	9.17	-70.09
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311602	0	49	0.0	-59.05	378.39	9.84	-49.21
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311602	1	49	0.0	-63.68	375.77	9.79	-53.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC(F)(F)C3)C[C@H]2C1	REAL300005311603	0	44	0.0	-62.96	327.54	8.02	-54.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC(F)(F)C3)C[C@H]2C1	REAL300005311603	1	44	0.0	-65.02	323.73	7.45	-57.57
CC(C)OC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005311604	0	51	0.0	-57.75	363.30	8.65	-49.10
CC(C)OC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005311604	1	51	0.0	-61.68	361.14	7.52	-54.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCO4)CCOCC3)C[C@H]2C1	REAL300005311605	0	59	0.0	-65.75	398.52	7.05	-58.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCO4)CCOCC3)C[C@H]2C1	REAL300005311605	1	59	0.0	-66.80	400.30	6.95	-59.85
CC1=CC=C2OCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005311606	0	50	0.0	-55.94	385.58	9.42	-46.52
CC1=CC=C2OCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005311606	1	50	0.0	-59.31	383.21	9.34	-49.97
COC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005311607	0	53	0.0	-70.32	403.29	8.80	-61.52
COC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005311607	1	53	0.0	-68.59	405.44	8.73	-59.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(SC(F)F)C=C3)C[C@H]2C1	REAL300005311608	0	49	0.0	-66.01	394.24	10.84	-55.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(SC(F)F)C=C3)C[C@H]2C1	REAL300005311608	1	49	0.0	-65.69	396.39	10.78	-54.91
COC1=CC=C(OC)C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311609	0	53	0.0	-67.11	402.46	8.23	-58.88
COC1=CC=C(OC)C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311609	1	53	0.0	-67.35	404.62	8.16	-59.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CSC=C3)C[C@H]2C1	REAL300005311610	0	42	0.0	-64.94	334.68	8.54	-56.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CSC=C3)C[C@H]2C1	REAL300005311610	1	42	0.0	-67.56	333.70	8.35	-59.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC4=C3CC(C)(C)CC4)C[C@H]2C1	REAL300005311611	0	53	0.0	-69.56	385.12	9.53	-60.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC4=C3CC(C)(C)CC4)C[C@H]2C1	REAL300005311611	1	53	0.0	-68.01	385.53	9.51	-58.50
CCC1=NN(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311612	0	47	0.0	-75.78	352.20	7.16	-68.62
CCC1=NN(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311612	1	47	0.0	-66.55	350.88	7.04	-59.51
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=CC=C(C)C=C2)=N1	REAL300005311613	0	53	0.0	-53.69	414.30	10.19	-43.50
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=CC=C(C)C=C2)=N1	REAL300005311613	1	53	0.0	-67.85	413.10	10.21	-57.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4CCCC4)=N3)C[C@H]2C1	REAL300005311614	0	53	0.0	-65.60	408.85	9.30	-56.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4CCCC4)=N3)C[C@H]2C1	REAL300005311614	1	53	0.0	-70.49	408.16	9.25	-61.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4CC4)=N3)C[C@H]2C1	REAL300005311615	0	47	0.0	-78.86	374.44	8.27	-70.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4CC4)=N3)C[C@H]2C1	REAL300005311615	1	47	0.0	-74.54	375.49	8.22	-66.32
CC1CCC(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311616	0	54	0.0	-77.67	393.18	9.83	-67.84
CC1CCC(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311616	1	54	0.0	-71.30	394.22	9.78	-61.52
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005311617	0	44	0.0	-60.04	358.99	8.22	-51.82
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005311617	1	44	0.0	-62.47	360.39	8.10	-54.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCC4=CC=CC=C43)C[C@H]2C1	REAL300005311618	0	54	0.0	-73.35	398.83	11.53	-61.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CCC4=CC=CC=C43)C[C@H]2C1	REAL300005311618	1	54	0.0	-67.03	396.16	11.65	-55.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@H]2C1	REAL300005311619	0	48	0.0	-61.81	362.97	9.91	-51.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@H]2C1	REAL300005311619	1	48	0.0	-65.03	362.16	9.86	-55.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)(F)F)=CC=N3)C[C@H]2C1	REAL300005311620	0	43	0.0	-64.12	343.97	8.07	-56.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)(F)F)=CC=N3)C[C@H]2C1	REAL300005311620	1	43	0.0	-68.97	345.31	8.13	-60.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CC(C)(C)CO3)C[C@H]2C1	REAL300005311621	0	54	0.0	-62.04	395.60	8.67	-53.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CC(C)(C)CO3)C[C@H]2C1	REAL300005311621	1	54	0.0	-66.18	392.59	8.45	-57.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)CC(F)(F)F)C[C@H]2C1	REAL300005311622	0	49	0.0	-65.84	356.58	8.88	-56.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)CC(F)(F)F)C[C@H]2C1	REAL300005311622	1	49	0.0	-69.73	358.50	8.81	-60.92
COC1=CC=C2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=C1	REAL300005311623	0	55	0.0	-52.94	405.21	9.93	-43.01
COC1=CC=C2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=C1	REAL300005311623	1	55	0.0	-65.31	402.33	9.71	-55.60
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311624	0	49	0.0	-66.67	353.10	7.19	-59.48
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311624	1	49	0.0	-67.37	352.62	7.20	-60.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CN=C4)C=C3)C[C@H]2C1	REAL300005311625	0	51	0.0	-76.15	392.61	11.26	-64.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CN=C4)C=C3)C[C@H]2C1	REAL300005311625	1	51	0.0	-73.29	387.11	10.99	-62.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CN=C3)C[C@H]2C1	REAL300005311626	0	44	0.0	-62.99	338.91	9.04	-53.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CN=C3)C[C@H]2C1	REAL300005311626	1	44	0.0	-67.72	339.99	8.60	-59.12
CN1CCCCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311627	1	49	0.0	-60.97	349.86	6.06	-54.91
CN1CCCCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311627	1	49	0.0	-64.95	349.12	5.98	-58.97
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCN(C)CC1	REAL300005311628	0	54	0.0	-74.54	385.00	4.31	-70.23
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCN(C)CC1	REAL300005311628	1	54	0.0	-71.02	382.65	4.13	-66.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCOCC3)C[C@H]2C1	REAL300005311629	0	47	0.0	-63.33	343.55	4.42	-58.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCOCC3)C[C@H]2C1	REAL300005311629	1	47	0.0	-68.28	345.07	4.04	-64.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4(CCC4)CO3)C[C@H]2C1	REAL300005311630	0	55	0.0	-63.66	396.09	10.10	-53.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4(CCC4)CO3)C[C@H]2C1	REAL300005311630	1	55	0.0	-69.20	397.45	9.72	-59.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4(CCOCC4)CO3)C[C@H]2C1	REAL300005311631	0	59	0.0	-74.31	413.90	8.36	-65.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4(CCOCC4)CO3)C[C@H]2C1	REAL300005311631	1	59	0.0	-72.33	415.12	8.28	-64.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@H]2C1	REAL300005311632	0	49	0.0	-62.93	358.29	8.06	-54.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@H]2C1	REAL300005311632	1	49	0.0	-68.97	354.49	7.56	-61.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCC(C3)S4)C[C@H]2C1	REAL300005311633	0	49	0.0	-72.41	352.64	9.02	-63.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCC(C3)S4)C[C@H]2C1	REAL300005311633	1	49	0.0	-65.94	351.38	8.96	-56.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC=C3C(F)F)C[C@H]2C1	REAL300005311634	0	41	0.0	-80.86	329.83	7.90	-72.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC=C3C(F)F)C[C@H]2C1	REAL300005311634	1	41	0.0	-77.26	329.50	7.90	-69.36
COC1=CC=C(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005311635	0	58	0.0	-79.86	438.45	9.86	-70.00
COC1=CC=C(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC	REAL300005311635	1	58	0.0	-75.69	438.63	9.90	-65.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@@H](C4=CC=CC=C4)C3(F)F)C[C@H]2C1	REAL300005311636	0	48	0.0	-63.14	377.40	10.51	-52.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@@H](C4=CC=CC=C4)C3(F)F)C[C@H]2C1	REAL300005311636	1	48	0.0	-67.08	374.83	10.37	-56.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC(F)=CC(F)=C4)C=C3)C[C@H]2C1	REAL300005311637	0	48	0.0	-57.72	384.20	9.84	-47.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4=CC(F)=CC(F)=C4)C=C3)C[C@H]2C1	REAL300005311637	1	48	0.0	-67.65	381.08	9.63	-58.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCC3=CC=CC=C3)C[C@H]2C1	REAL300005311638	0	53	0.0	-63.12	401.42	11.84	-51.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCC3=CC=CC=C3)C[C@H]2C1	REAL300005311638	1	53	0.0	-69.79	401.37	11.49	-58.30
COC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005311639	0	48	0.0	-59.37	341.94	7.22	-52.15
COC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005311639	1	48	0.0	-67.63	337.71	6.98	-60.65
CCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005311640	0	43	0.0	-68.43	331.05	7.47	-60.96
CCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005311640	1	43	0.0	-66.57	329.09	7.23	-59.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC(C)(C)CO3)C[C@H]2C1	REAL300005311641	0	51	0.0	-62.30	374.94	7.93	-54.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC(C)(C)CO3)C[C@H]2C1	REAL300005311641	1	51	0.0	-70.16	374.31	8.17	-61.99
CC1=C2OC=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1Cl	REAL300005311642	0	50	0.0	-69.03	402.14	10.59	-58.44
CC1=C2OC=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1Cl	REAL300005311642	1	50	0.0	-68.48	397.30	10.60	-57.88
CC1=CN2N=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2N=C1	REAL300005311643	0	46	0.0	-68.71	351.93	7.90	-60.81
CC1=CN2N=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2N=C1	REAL300005311643	1	46	0.0	-76.73	353.00	7.44	-69.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C([N+](=O)[O-])=C3N)C[C@H]2C1	REAL300005311644	0	51	0.0	-62.72	397.46	9.34	-53.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C([N+](=O)[O-])=C3N)C[C@H]2C1	REAL300005311644	1	51	0.0	-61.94	397.49	9.26	-52.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4(CCC4)O3)C[C@H]2C1	REAL300005311645	0	52	0.0	-76.66	381.01	9.04	-67.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4(CCC4)O3)C[C@H]2C1	REAL300005311645	1	52	0.0	-67.39	381.69	9.08	-58.31
C=C1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311646	0	48	0.0	-47.11	352.00	8.96	-38.15
C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311646	1	48	0.0	-59.93	352.44	8.90	-51.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC4(CCC4)C3)C[C@H]2C1	REAL300005311647	0	52	0.0	-74.36	373.76	7.99	-66.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC4(CCC4)C3)C[C@H]2C1	REAL300005311647	1	52	0.0	-67.05	374.75	7.89	-59.16
COC1=CC2=CC=C(C=CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005311648	0	55	0.0	-62.14	422.76	11.14	-51.00
COC1=CC2=CC=C(C=CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005311648	1	55	0.0	-67.08	422.38	11.07	-56.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC=CCCC3)C[C@H]2C1	REAL300005311649	0	51	0.0	-65.70	352.83	9.25	-56.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC=CCCC3)C[C@H]2C1	REAL300005311649	1	51	0.0	-64.42	355.30	9.47	-54.95
CCN1N=C(C2CC2)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311650	0	51	0.0	-75.27	381.19	8.73	-66.54
CCN1N=C(C2CC2)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311650	1	51	0.0	-68.18	381.85	8.70	-59.48
CN1N=C2CCCC2=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311651	0	48	0.0	-74.65	364.33	7.87	-66.78
CN1N=C2CCCC2=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311651	1	48	0.0	-68.94	364.25	7.80	-61.14
CC1=CC=C([N+](=O)[O-])C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311652	0	49	0.0	-72.06	377.94	10.25	-61.81
CC1=CC=C([N+](=O)[O-])C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311652	1	49	0.0	-85.92	374.22	10.44	-75.48
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCO1	REAL300005311653	0	48	0.0	-65.26	352.13	6.79	-58.47
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCO1	REAL300005311653	1	48	0.0	-72.11	349.93	6.82	-65.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4N=C3)C[C@H]2C1	REAL300005311654	0	46	0.0	-81.97	351.31	8.38	-73.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4N=C3)C[C@H]2C1	REAL300005311654	1	46	0.0	-79.09	349.70	8.40	-70.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CC(F)(F)C4)C[C@H]2C1	REAL300005311655	0	48	0.0	-76.92	365.18	9.37	-67.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CC(F)(F)C4)C[C@H]2C1	REAL300005311655	1	48	0.0	-64.76	365.74	9.33	-55.43
CCSC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311656	0	51	0.0	-64.09	394.71	10.87	-53.22
CCSC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311656	1	51	0.0	-64.41	396.74	10.79	-53.62
CC1=CC=CC(C2=CC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=C1	REAL300005311657	0	54	0.0	-67.39	402.74	11.99	-55.40
CC1=CC=CC(C2=CC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=C1	REAL300005311657	1	54	0.0	-70.35	403.18	11.88	-58.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4=C(C=CS4)C3=O)C[C@H]2C1	REAL300005311658	0	50	0.0	-76.28	389.00	10.99	-65.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4=C(C=CS4)C3=O)C[C@H]2C1	REAL300005311658	1	50	0.0	-67.48	387.96	10.95	-56.53
COC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCSC1	REAL300005311659	0	46	0.0	-72.12	343.05	6.76	-65.36
COC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCSC1	REAL300005311659	1	46	0.0	-66.30	332.78	6.41	-59.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C3CC3)C[C@H]2C1	REAL300005311660	0	45	0.0	-75.36	338.61	7.44	-67.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C3CC3)C[C@H]2C1	REAL300005311660	1	45	0.0	-61.61	334.75	7.52	-54.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CC4)CCC3)C[C@H]2C1	REAL300005311661	0	48	0.0	-60.67	340.03	9.18	-51.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CC4)CCC3)C[C@H]2C1	REAL300005311661	1	48	0.0	-70.33	339.14	9.32	-61.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(CC(C)(C5)C3)C4)C[C@H]2C1	REAL300005311662	0	58	0.0	-64.37	386.95	10.54	-53.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(CC(C)(C5)C3)C4)C[C@H]2C1	REAL300005311662	1	58	0.0	-63.68	388.02	10.19	-53.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCC4)CC3)C[C@H]2C1	REAL300005311663	0	54	0.0	-66.49	377.89	10.22	-56.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCC4)CC3)C[C@H]2C1	REAL300005311663	1	54	0.0	-61.85	379.89	10.07	-51.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C5OCCOC5=C4)CC3)C[C@H]2C1	REAL300005311664	0	54	0.0	-69.44	408.27	9.18	-60.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C5OCCOC5=C4)CC3)C[C@H]2C1	REAL300005311664	1	54	0.0	-64.15	404.75	9.29	-54.86
COC1=CC=CC(C(F)F)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311665	0	48	0.0	-65.30	371.20	8.84	-56.46
COC1=CC=CC(C(F)F)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311665	1	48	0.0	-72.09	369.24	8.25	-63.84
CC1=CC=C(F)C(Br)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311666	0	44	0.0	-66.92	361.19	9.32	-57.60
CC1=CC=C(F)C(Br)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311666	1	44	0.0	-72.65	361.30	9.35	-63.30
COC1=CC=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NN21	REAL300005311667	0	48	0.0	-60.04	362.40	6.48	-53.56
COC1=CC=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NN21	REAL300005311667	1	48	0.0	-74.37	360.52	6.33	-68.04
CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300005311668	0	54	0.0	-70.70	407.21	10.21	-60.49
CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300005311668	1	54	0.0	-73.02	407.62	10.08	-62.94
CC1CCC2=C(C1)C(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)=NN2	REAL300005311669	0	51	0.0	-73.47	373.78	8.05	-65.42
CC1CCC2=C(C1)C(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)=NN2	REAL300005311669	1	51	0.0	-68.93	375.38	7.90	-61.03
CN1N=C2CCCCC2=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311670	0	51	0.0	-68.20	381.05	8.37	-59.83
CN1N=C2CCCCC2=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311670	1	51	0.0	-68.54	379.30	8.52	-60.02
CN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311671	1	49	0.0	-66.48	349.19	6.09	-60.39
CN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311671	1	49	0.0	-61.82	347.98	5.99	-55.83
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311672	0	51	0.0	-70.83	387.96	9.39	-61.44
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311672	1	51	0.0	-67.68	387.08	9.27	-58.41
CN1N=C(C(F)(F)F)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311673	0	44	0.0	-71.34	350.21	6.82	-64.52
CN1N=C(C(F)(F)F)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311673	1	44	0.0	-63.78	348.69	6.66	-57.12
C[C@@H]1CC=CC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311674	0	48	0.0	-63.11	348.69	8.93	-54.18
C[C@@H]1CC=CC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311674	1	48	0.0	-68.94	347.57	8.94	-60.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(C4CC4)C=C3)C[C@H]2C1	REAL300005311675	0	57	0.0	-75.34	428.91	12.77	-62.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(C4CC4)C=C3)C[C@H]2C1	REAL300005311675	1	57	0.0	-71.46	429.10	12.81	-58.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCOC4)NC3=O)C[C@H]2C1	REAL300005311676	0	49	0.0	-66.79	368.13	5.13	-61.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCOC4)NC3=O)C[C@H]2C1	REAL300005311676	1	49	0.0	-75.01	373.85	5.14	-69.87
CCN1C=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311677	0	45	0.0	-58.08	351.23	8.89	-49.19
CCN1C=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311677	1	45	0.0	-67.47	349.41	8.89	-58.58
COC1=CC(OC)=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311678	0	47	0.0	-53.73	360.85	3.66	-50.07
COC1=CC(OC)=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311678	1	47	0.0	-63.81	365.22	3.56	-60.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCS3(=O)=O)C[C@H]2C1	REAL300005311679	0	47	0.0	-78.94	345.67	5.60	-73.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCS3(=O)=O)C[C@H]2C1	REAL300005311679	1	47	0.0	-82.52	346.47	5.45	-77.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(CC4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005311680	0	50	0.0	-58.54	390.16	10.43	-48.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(CC4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005311680	1	50	0.0	-66.93	389.00	10.24	-56.69
COC1=CC2=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005311681	0	50	0.0	-72.48	377.88	7.61	-64.87
COC1=CC2=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005311681	1	50	0.0	-73.91	378.32	7.54	-66.37
CC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005311682	0	49	0.0	-66.43	365.20	9.05	-57.38
CC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005311682	1	49	0.0	-80.27	364.61	9.09	-71.18
CCN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1CC1	REAL300005311683	0	51	0.0	-60.18	387.72	9.21	-50.97
CCN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1CC1	REAL300005311683	1	51	0.0	-69.32	388.05	9.09	-60.23
CCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Br	REAL300005311684	0	47	0.0	-60.80	365.37	10.14	-50.66
CCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Br	REAL300005311684	1	47	0.0	-72.00	367.22	9.86	-62.14
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=NO1	REAL300005311685	0	50	0.0	-64.59	398.42	10.10	-54.49
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=NO1	REAL300005311685	1	50	0.0	-59.00	395.26	10.19	-48.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC4CCC3C4)C[C@H]2C1	REAL300005311686	0	49	0.0	-74.99	353.57	8.40	-66.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC4CCC3C4)C[C@H]2C1	REAL300005311686	1	49	0.0	-58.41	352.29	8.43	-49.98
COC1=NC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311687	0	47	0.0	-70.78	368.60	4.32	-66.46
COC1=NC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311687	1	47	0.0	-70.02	369.17	4.19	-65.83
CC1=NNC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C12	REAL300005311688	0	47	0.0	-84.96	358.21	7.32	-77.64
CC1=NNC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C12	REAL300005311688	1	47	0.0	-69.34	361.57	7.30	-62.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC4(CCCC4)C3)C[C@H]2C1	REAL300005311689	0	55	0.0	-63.08	387.52	8.57	-54.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC4(CCCC4)C3)C[C@H]2C1	REAL300005311689	1	55	0.0	-66.42	388.29	8.47	-57.95
CCOC1C(C)C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311690	0	48	0.0	-77.04	362.46	7.44	-69.60
CCOC1C(C)C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311690	1	48	0.0	-72.80	364.10	7.39	-65.41
COC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC=C1	REAL300005311691	0	49	0.0	-53.12	369.57	7.72	-45.40
COC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC=C1	REAL300005311691	1	49	0.0	-65.09	368.67	7.92	-57.17
CC1=CC(C)=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005311692	0	50	0.0	-75.86	380.43	7.16	-68.70
CC1=CC(C)=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005311692	1	50	0.0	-82.14	376.61	7.19	-74.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC=CC4=N3)C[C@H]2C1	REAL300005311693	0	44	0.0	-59.75	337.93	7.08	-52.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC=CC4=N3)C[C@H]2C1	REAL300005311693	1	44	0.0	-71.22	334.79	6.86	-64.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4N=CC=C4N3)C[C@H]2C1	REAL300005311693	1	44	0.0	-58.53	343.03	6.73	-51.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4N=CC=C4N3)C[C@H]2C1	REAL300005311693	1	44	0.0	-67.68	344.95	6.34	-61.34
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300005311694	0	54	0.0	-68.88	394.61	8.93	-59.95
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300005311694	1	54	0.0	-71.80	395.04	8.80	-63.00
CCCCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311695	0	50	0.0	-73.92	368.95	9.43	-64.49
CCCCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311695	1	50	0.0	-66.47	368.37	9.45	-57.02
CN1C=NC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311696	0	45	0.0	-64.49	349.12	9.02	-55.47
CN1C=NC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311696	1	45	0.0	-67.84	351.27	8.96	-58.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC=CCC3)C[C@H]2C1	REAL300005311697	0	48	0.0	-73.63	348.75	9.26	-64.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC=CCC3)C[C@H]2C1	REAL300005311697	1	48	0.0	-62.60	348.59	9.23	-53.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCCCC4)C=C3)C[C@H]2C1	REAL300005311698	0	59	0.0	-76.83	413.24	9.58	-67.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCCCC4)C=C3)C[C@H]2C1	REAL300005311698	1	59	0.0	-68.96	409.03	9.39	-59.57
CC(SC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311699	0	48	0.0	-62.38	381.97	10.56	-51.82
CC(SC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311699	1	48	0.0	-66.57	384.23	10.14	-56.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)F)SC=C3)C[C@H]2C1	REAL300005311700	0	41	0.0	-69.69	328.24	8.00	-61.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)F)SC=C3)C[C@H]2C1	REAL300005311700	1	41	0.0	-71.88	326.25	7.89	-63.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H]3C[C@H]3CC3=CC=CC=C3)C[C@H]2C1	REAL300005311701	0	54	0.0	-62.38	412.14	12.12	-50.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H]3C[C@H]3CC3=CC=CC=C3)C[C@H]2C1	REAL300005311701	1	54	0.0	-65.71	411.48	12.06	-53.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CN=N4)O3)C[C@H]2C1	REAL300005311702	0	47	0.0	-71.04	370.46	7.01	-64.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CN=N4)O3)C[C@H]2C1	REAL300005311702	1	47	0.0	-72.95	369.28	6.84	-66.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=N4)N=C3)C[C@H]2C1	REAL300005311703	0	47	0.0	-69.75	364.04	8.52	-61.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC=N4)N=C3)C[C@H]2C1	REAL300005311703	1	47	0.0	-71.23	365.55	8.38	-62.85
CC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005311704	0	47	0.0	-73.92	370.74	10.11	-63.81
CC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005311704	1	47	0.0	-65.35	371.21	10.12	-55.23
CC1=CC(C)=NN1CCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311705	0	53	0.0	-72.70	403.52	9.33	-63.37
CC1=CC(C)=NN1CCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311705	1	53	0.0	-78.85	403.42	8.98	-69.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC4=CC=CN=C43)C[C@H]2C1	REAL300005311706	0	45	0.0	-70.04	344.21	7.89	-62.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC4=CC=CN=C43)C[C@H]2C1	REAL300005311706	1	45	0.0	-66.54	345.12	7.92	-58.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C)CCS(=O)(=O)N3)C[C@H]2C1	REAL300005311707	0	49	0.0	-78.08	369.49	3.30	-74.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C)CCS(=O)(=O)N3)C[C@H]2C1	REAL300005311707	1	49	0.0	-74.73	369.37	3.24	-71.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=CC(Cl)=CC=C43)C[C@H]2C1	REAL300005311708	0	46	0.0	-59.61	366.26	8.91	-50.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=CC(Cl)=CC=C43)C[C@H]2C1	REAL300005311708	1	46	0.0	-64.43	367.23	8.87	-55.56
COC1=CC=CC(CC(C)CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311709	0	57	0.0	-65.30	423.51	10.38	-54.92
COC1=CC=CC(CC(C)CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311709	1	57	0.0	-67.52	422.97	10.32	-57.20
CC(C)C1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005311710	0	54	0.0	-63.28	384.73	8.16	-55.12
CC(C)C1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005311710	1	54	0.0	-65.20	377.91	7.99	-57.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3CCOC4)C[C@H]2C1	REAL300005311711	0	49	0.0	-68.33	359.29	8.05	-60.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3CCOC4)C[C@H]2C1	REAL300005311711	1	49	0.0	-65.00	358.37	8.14	-56.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC(C(F)(F)F)O3)C[C@H]2C1	REAL300005311712	0	51	0.0	-81.75	384.28	8.88	-72.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC(C(F)(F)F)O3)C[C@H]2C1	REAL300005311712	1	51	0.0	-65.17	390.86	9.12	-56.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(C4CC4)O3)C[C@H]2C1	REAL300005311713	0	52	0.0	-69.30	384.33	9.56	-59.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC(C4CC4)O3)C[C@H]2C1	REAL300005311713	1	52	0.0	-70.73	384.69	9.53	-61.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CC[C@H](NC4=CN=CC=N4)CC3)C[C@H]2C1	REAL300005311714	0	57	0.0	-49.75	419.69	7.88	-41.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CC[C@H](NC4=CN=CC=N4)CC3)C[C@H]2C1	REAL300005311714	1	57	0.0	-68.57	421.39	7.46	-61.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CC[C@H](NC4=NC=CC=N4)CC3)C[C@H]2C1	REAL300005311715	0	57	0.0	-54.81	425.16	10.27	-44.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CC[C@H](NC4=NC=CC=N4)CC3)C[C@H]2C1	REAL300005311715	1	57	0.0	-71.11	419.10	10.05	-61.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC[C@@H]4C[C@@H]4CC3)C[C@H]2C1	REAL300005311716	0	51	0.0	-75.14	346.66	9.18	-65.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC[C@@H]4C[C@@H]4CC3)C[C@H]2C1	REAL300005311716	1	51	0.0	-66.51	362.72	9.59	-56.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CCC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005311717	0	54	0.0	-63.01	406.87	12.00	-51.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CCC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005311717	1	54	0.0	-66.29	406.18	11.75	-54.54
COC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311718	0	50	0.0	-64.08	385.48	6.97	-57.11
COC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311718	1	50	0.0	-70.50	385.42	6.62	-63.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCOC4=CC=CC=C43)C[C@H]2C1	REAL300005311719	0	52	0.0	-64.18	374.67	8.63	-55.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCOC4=CC=CC=C43)C[C@H]2C1	REAL300005311719	1	52	0.0	-73.46	369.02	8.47	-64.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCCO3)C[C@H]2C1	REAL300005311720	0	52	0.0	-52.78	383.10	9.53	-43.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCCO3)C[C@H]2C1	REAL300005311720	1	52	0.0	-69.11	381.31	9.34	-59.77
COC1=CC=C2NC=CC2=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311721	0	49	0.0	-69.93	375.53	7.55	-62.38
COC1=CC=C2NC=CC2=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311721	1	49	0.0	-76.54	374.05	7.41	-69.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCCC4)N=C3N)C[C@H]2C1	REAL300005311722	0	54	0.0	-54.23	398.41	7.84	-46.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCCC4)N=C3N)C[C@H]2C1	REAL300005311722	1	54	0.0	-61.99	399.36	7.41	-54.58
CN1C=NC(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=N1	REAL300005311723	0	50	0.0	-72.49	387.40	10.10	-62.39
CN1C=NC(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=N1	REAL300005311723	1	50	0.0	-58.54	384.05	10.01	-48.53
CC1=CC(C)=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311724	0	46	0.0	-61.72	348.02	8.33	-53.39
CC1=CC(C)=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311724	1	46	0.0	-64.19	350.18	8.31	-55.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CCCC4)N=CS3)C[C@H]2C1	REAL300005311725	0	50	0.0	-64.10	374.20	8.31	-55.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CCCC4)N=CS3)C[C@H]2C1	REAL300005311725	1	50	0.0	-60.35	373.85	8.65	-51.70
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)N2N=CN=C2N1C	REAL300005311726	0	53	0.0	-53.64	396.48	11.44	-42.20
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)N2N=CN=C2N1C	REAL300005311726	1	53	0.0	-59.20	392.11	11.50	-47.70
CC1=CC=NC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311727	0	47	0.0	-64.88	357.40	8.34	-56.54
CC1=CC=NC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311727	1	47	0.0	-65.09	359.56	8.26	-56.83
CC1=CC(=O)C=C(C)N1CCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311729	0	56	0.0	-87.34	416.61	10.46	-76.88
CC1=CC(=O)C=C(C)N1CCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311729	1	56	0.0	-86.50	416.56	10.10	-76.40
CN1C=CC(NC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=N1	REAL300005311730	0	53	0.0	-73.08	401.86	9.00	-64.08
CN1C=CC(NC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=N1	REAL300005311730	1	53	0.0	-74.79	396.45	8.72	-66.07
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C1=CN(C)N=C1	REAL300005311731	0	50	0.0	-69.72	384.74	6.48	-63.24
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C1=CN(C)N=C1	REAL300005311731	1	50	0.0	-64.37	380.68	6.57	-57.80
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C1=NN(C)C=C1	REAL300005311732	0	50	0.0	-71.74	387.07	7.77	-63.97
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C1=NN(C)C=C1	REAL300005311732	1	50	0.0	-69.86	387.81	7.61	-62.25
CCOC1=NC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C2N1	REAL300005311733	0	51	0.0	-59.42	387.33	5.31	-54.11
CCOC1=NC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C2N1	REAL300005311733	1	51	0.0	-66.87	387.66	5.19	-61.68
CCC(CC)OC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311734	0	57	0.0	-67.08	414.16	10.25	-56.83
CCC(CC)OC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311734	1	57	0.0	-68.62	408.15	9.92	-58.70
CC1=CC(F)=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005311735	0	47	0.0	-72.65	368.68	9.81	-62.84
CC1=CC(F)=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005311735	1	47	0.0	-61.58	368.80	9.77	-51.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=COC=C3)C[C@H]2C1	REAL300005311736	0	45	0.0	-83.05	350.48	6.13	-76.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=COC=C3)C[C@H]2C1	REAL300005311736	1	45	0.0	-79.67	348.95	6.20	-73.47
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=COC=C2)=N1	REAL300005311737	0	48	0.0	-54.19	366.56	7.41	-46.78
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=COC=C2)=N1	REAL300005311737	1	48	0.0	-73.34	368.74	7.34	-66.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3OC3CCCC3)C[C@H]2C1	REAL300005311738	0	58	0.0	-61.73	431.40	11.33	-50.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3OC3CCCC3)C[C@H]2C1	REAL300005311738	1	58	0.0	-65.64	430.71	11.28	-54.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3OC3CCOC3)C[C@H]2C1	REAL300005311739	0	56	0.0	-77.11	419.44	8.72	-68.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3OC3CCOC3)C[C@H]2C1	REAL300005311739	1	56	0.0	-66.56	418.39	8.88	-57.68
COCC(C)(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311740	0	50	0.0	-63.17	359.85	7.31	-55.86
COCC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311740	1	50	0.0	-69.14	361.77	7.23	-61.91
CC1=CN2C=CN=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311741	0	47	0.0	-48.44	363.09	9.65	-38.79
CC1=CN2C=CN=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311741	1	47	0.0	-72.42	364.33	9.56	-62.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCS(=O)(=O)C4=CC=CC=C43)C[C@H]2C1	REAL300005311742	0	51	0.0	-71.58	392.63	6.49	-65.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCS(=O)(=O)C4=CC=CC=C43)C[C@H]2C1	REAL300005311742	1	51	0.0	-82.89	394.30	6.42	-76.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(O)(CCC(C)(C)C)C3)C[C@H]2C1	REAL300005311743	0	60	0.0	-58.43	431.68	8.00	-50.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(O)(CCC(C)(C)C)C3)C[C@H]2C1	REAL300005311743	1	60	0.0	-67.32	430.71	7.98	-59.34
CCOC1=NC=CC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311744	0	50	0.0	-59.96	385.12	6.53	-53.43
CCOC1=NC=CC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311744	1	50	0.0	-76.59	385.60	6.39	-70.20
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311745	0	47	0.0	-71.59	375.86	9.66	-61.93
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311745	1	47	0.0	-69.91	377.56	9.61	-60.30
CNC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=NS1	REAL300005311746	0	45	0.0	-58.62	358.45	5.48	-53.14
CNC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=NS1	REAL300005311746	1	45	0.0	-69.30	358.93	5.35	-63.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=C(F)C=C4)C=C3)C[C@H]2C1	REAL300005311747	0	52	0.0	-67.88	404.15	10.90	-56.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=C(F)C=C4)C=C3)C[C@H]2C1	REAL300005311747	1	52	0.0	-68.52	398.69	10.61	-57.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(F)=CC4=C3OCOC4)C[C@H]2C1	REAL300005311748	0	50	0.0	-65.88	388.21	8.27	-57.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(F)=CC4=C3OCOC4)C[C@H]2C1	REAL300005311748	1	50	0.0	-69.22	387.52	8.22	-61.00
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311749	0	47	0.0	-78.20	370.12	2.37	-75.83
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311749	1	47	0.0	-74.71	368.86	2.29	-72.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(S(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005311750	0	50	0.0	-73.65	398.85	4.53	-69.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(S(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005311750	1	50	0.0	-72.80	400.94	4.46	-68.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005311751	0	48	0.0	-83.34	367.63	7.98	-75.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005311751	1	48	0.0	-77.51	363.11	8.03	-69.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CS4)=C3)C[C@H]2C1	REAL300005311752	0	44	0.0	-68.62	359.36	8.78	-59.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CS4)=C3)C[C@H]2C1	REAL300005311752	1	44	0.0	-66.83	359.86	8.78	-58.05
COCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311753	0	54	0.0	-55.67	414.90	5.44	-50.23
COCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311753	1	54	0.0	-63.40	413.02	5.43	-57.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=C(S(N)(=O)=O)C=N3)C[C@H]2C1	REAL300005311754	0	49	0.0	-75.35	395.61	1.91	-73.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=C(S(N)(=O)=O)C=N3)C[C@H]2C1	REAL300005311754	1	49	0.0	-72.76	395.81	1.97	-70.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CS(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005311755	0	49	0.0	-79.40	387.44	3.65	-75.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CS(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005311755	1	49	0.0	-77.00	382.09	3.38	-73.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(S(N)(=O)=O)C=N3)C[C@H]2C1	REAL300005311756	0	46	0.0	-79.75	373.95	1.68	-78.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(S(N)(=O)=O)C=N3)C[C@H]2C1	REAL300005311756	1	46	0.0	-83.48	371.20	1.19	-82.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(S(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005311757	0	50	0.0	-85.99	401.02	3.99	-82.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(S(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005311757	1	50	0.0	-74.47	400.80	3.90	-70.57
CC(C)CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005311758	0	49	0.0	-57.80	378.55	8.52	-49.28
CC(C)CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005311758	1	49	0.0	-66.44	380.36	8.61	-57.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(N)(=O)=O)S3)C[C@H]2C1	REAL300005311759	0	43	0.0	-80.37	354.24	1.90	-78.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(N)(=O)=O)S3)C[C@H]2C1	REAL300005311759	1	43	0.0	-72.46	355.85	1.98	-70.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(N4C=NC=N4)=C3)C[C@H]2C1	REAL300005311761	0	46	0.0	-87.66	360.56	9.87	-77.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(N4C=NC=N4)=C3)C[C@H]2C1	REAL300005311761	1	46	0.0	-65.51	360.06	9.80	-55.71
CC1=NC(S(=O)(=O)NCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN1C	REAL300005311762	0	52	0.0	-80.55	413.41	3.66	-76.89
CC1=NC(S(=O)(=O)NCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN1C	REAL300005311762	1	52	0.0	-79.41	412.28	3.49	-75.92
CC1=NOC(C(F)F)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311763	0	43	0.0	-64.82	347.77	7.41	-57.41
CC1=NOC(C(F)F)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311763	1	43	0.0	-65.54	348.98	7.39	-58.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4N=CN=C4N3)C[C@H]2C1	REAL300005311764	0	43	0.0	-69.99	331.15	7.44	-62.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4N=CN=C4N3)C[C@H]2C1	REAL300005311764	1	43	0.0	-64.30	338.67	7.05	-57.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4N=CNC4=N3)C[C@H]2C1	REAL300005311764	1	43	0.0	-62.02	332.16	7.77	-54.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4N=CNC4=N3)C[C@H]2C1	REAL300005311764	1	43	0.0	-69.94	332.57	7.65	-62.29
CC1=C(C)NC(=O)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311765	0	46	0.0	-68.16	350.02	6.48	-61.68
CC1=C(C)NC(=O)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311765	1	46	0.0	-72.02	348.98	6.48	-65.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005311766	0	53	0.0	-62.42	388.83	8.45	-53.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005311766	1	53	0.0	-68.99	387.65	8.37	-60.62
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC(=O)N1	REAL300005311767	0	44	0.0	-60.24	340.83	5.84	-54.40
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC(=O)N1	REAL300005311767	1	44	0.0	-62.32	336.88	5.52	-56.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3C=CCCC3)C[C@H]2C1	REAL300005311768	0	48	0.0	-72.36	349.02	9.25	-63.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3C=CCCC3)C[C@H]2C1	REAL300005311768	1	48	0.0	-68.49	349.17	9.30	-59.19
CC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005311769	0	47	0.0	-65.19	373.83	10.18	-55.01
CC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005311769	1	47	0.0	-69.46	373.09	10.11	-59.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=CC=NC=C4C=C3)C[C@H]2C1	REAL300005311770	0	49	0.0	-78.11	378.56	9.54	-68.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=CC=NC=C4C=C3)C[C@H]2C1	REAL300005311770	1	49	0.0	-69.31	375.92	9.69	-59.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=CNN=C4C=C3)C[C@H]2C1	REAL300005311771	0	47	0.0	-78.69	363.10	7.79	-70.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=CNN=C4C=C3)C[C@H]2C1	REAL300005311771	1	47	0.0	-75.19	360.48	7.91	-67.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(C(F)F)=C3)C[C@H]2C1	REAL300005311772	0	47	0.0	-65.30	370.64	9.95	-55.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(C(F)F)=C3)C[C@H]2C1	REAL300005311772	1	47	0.0	-73.88	372.28	9.96	-63.92
CC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005311773	0	47	0.0	-71.24	369.57	10.08	-61.16
CC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005311773	1	47	0.0	-65.39	371.09	10.03	-55.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC=CN4C=C3)C[C@H]2C1	REAL300005311774	0	44	0.0	-53.61	332.26	8.49	-45.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC=CN4C=C3)C[C@H]2C1	REAL300005311774	1	44	0.0	-75.76	344.33	8.72	-67.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NC=CN43)C[C@H]2C1	REAL300005311775	0	44	0.0	-68.93	342.03	8.55	-60.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NC=CN43)C[C@H]2C1	REAL300005311775	1	44	0.0	-63.56	343.74	8.51	-55.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4N=NN=C4C=C3)C[C@H]2C1	REAL300005311776	0	42	0.0	-65.50	334.25	6.41	-59.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4N=NN=C4C=C3)C[C@H]2C1	REAL300005311776	1	42	0.0	-71.70	334.23	6.30	-65.40
CC1=CN2C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C2C=C1	REAL300005311777	0	47	0.0	-77.84	355.01	8.94	-68.90
CC1=CN2C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C2C=C1	REAL300005311777	1	47	0.0	-74.73	353.64	8.93	-65.80
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C=CC=CN12	REAL300005311778	0	47	0.0	-65.86	357.71	9.86	-56.00
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C=CC=CN12	REAL300005311778	1	47	0.0	-75.56	358.81	9.92	-65.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=C4C=CC=CN43)C[C@H]2C1	REAL300005311779	0	44	0.0	-58.85	337.22	9.27	-49.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=C4C=CC=CN43)C[C@H]2C1	REAL300005311779	1	44	0.0	-71.03	334.09	9.06	-61.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCCC4=NO3)C[C@H]2C1	REAL300005311780	0	47	0.0	-49.99	350.80	8.08	-41.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCCC4=NO3)C[C@H]2C1	REAL300005311780	1	47	0.0	-65.48	349.50	8.12	-57.36
CC1=CC=C2OC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=C1	REAL300005311781	0	52	0.0	-68.28	386.24	10.57	-57.71
CC1=CC=C2OC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=C1	REAL300005311781	1	52	0.0	-73.91	386.76	10.46	-63.45
COC1=CC2=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N2C=C1	REAL300005311782	0	48	0.0	-75.87	363.24	7.62	-68.25
COC1=CC2=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N2C=C1	REAL300005311782	1	48	0.0	-68.68	362.46	7.50	-61.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NOC=C3)C[C@H]2C1	REAL300005311783	0	43	0.0	-71.30	333.16	7.16	-64.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NOC=C3)C[C@H]2C1	REAL300005311783	1	43	0.0	-66.22	334.48	7.11	-59.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN=CN=C3)C[C@H]2C1	REAL300005311784	0	45	0.0	-63.23	348.06	8.28	-54.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN=CN=C3)C[C@H]2C1	REAL300005311784	1	45	0.0	-69.19	348.02	7.93	-61.26
COC1=COC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC1=O	REAL300005311785	0	44	0.0	-84.00	340.05	6.36	-77.64
COC1=COC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC1=O	REAL300005311785	1	44	0.0	-74.39	339.03	6.18	-68.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4C=NC=C4C=C3)C[C@H]2C1	REAL300005311786	1	44	0.0	-61.16	344.66	9.71	-51.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4C=NC=C4C=C3)C[C@H]2C1	REAL300005311786	1	44	0.0	-66.14	344.68	9.58	-56.56
CCC1=CN=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311787	0	46	0.0	-65.60	345.04	7.60	-58.00
CCC1=CN=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311787	1	46	0.0	-68.77	345.15	7.50	-61.27
CC1=CSC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311788	0	46	0.0	-74.17	364.78	7.58	-66.59
CC1=CSC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311788	1	46	0.0	-69.76	366.10	7.53	-62.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=NC=C4N=C3)C[C@H]2C1	REAL300005311789	0	45	0.0	-68.31	343.36	6.55	-61.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=NC=C4N=C3)C[C@H]2C1	REAL300005311789	1	45	0.0	-62.29	347.92	6.57	-55.72
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1C	REAL300005311790	0	46	0.0	-58.68	345.26	8.24	-50.44
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1C	REAL300005311790	1	46	0.0	-69.33	344.64	8.26	-61.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC(F)=C4N=C3)C[C@H]2C1	REAL300005311791	0	46	0.0	-87.12	357.54	8.46	-78.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC(F)=C4N=C3)C[C@H]2C1	REAL300005311791	1	46	0.0	-64.48	359.28	8.43	-56.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCCC4)C=C3)C[C@H]2C1	REAL300005311792	0	54	0.0	-68.02	393.46	11.19	-56.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCCC4)C=C3)C[C@H]2C1	REAL300005311792	1	54	0.0	-57.92	392.68	11.14	-46.78
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=NN1	REAL300005311793	0	44	0.0	-59.27	356.08	6.21	-53.06
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=NN1	REAL300005311793	1	44	0.0	-76.50	358.13	6.12	-70.38
CC1=NNC(C(F)(F)F)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311793	1	44	0.0	-62.36	357.14	6.30	-56.06
CC1=NNC(C(F)(F)F)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311793	1	44	0.0	-59.52	358.01	6.18	-53.34
CCOC1=NOC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311794	0	44	0.0	-57.00	341.68	4.61	-52.39
CCOC1=NOC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311794	1	44	0.0	-64.31	340.55	4.46	-59.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(=O)C4=CC=CN43)C[C@H]2C1	REAL300005311795	0	48	0.0	-68.07	364.83	8.38	-59.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(=O)C4=CC=CN43)C[C@H]2C1	REAL300005311795	1	48	0.0	-70.89	363.53	8.33	-62.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3NC(=O)C=C4)C[C@H]2C1	REAL300005311796	0	47	0.0	-70.55	359.13	7.66	-62.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3NC(=O)C=C4)C[C@H]2C1	REAL300005311796	1	47	0.0	-89.29	358.41	7.36	-81.93
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311797	0	52	0.0	-77.70	400.48	4.17	-73.53
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311797	1	52	0.0	-72.90	396.57	4.24	-68.66
COCCOC1=CN=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311798	0	51	0.0	-62.39	387.09	5.64	-56.75
COCCOC1=CN=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311798	1	51	0.0	-72.55	388.25	5.67	-66.88
CNS(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311799	0	48	0.0	-60.73	379.91	2.45	-58.28
CNS(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311799	1	48	0.0	-67.10	378.19	2.38	-64.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(N)(=O)=O)N=C3)C[C@H]2C1	REAL300005311800	0	45	0.0	-63.85	360.91	0.95	-62.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(S(N)(=O)=O)N=C3)C[C@H]2C1	REAL300005311800	1	45	0.0	-72.41	357.77	0.90	-71.51
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311801	0	51	0.0	-60.36	403.10	3.95	-56.41
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311801	1	51	0.0	-71.64	399.86	3.91	-67.73
CN1C=NC(S(=O)(=O)NCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311802	0	49	0.0	-80.27	393.89	3.86	-76.41
CN1C=NC(S(=O)(=O)NCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311802	1	49	0.0	-78.97	392.76	3.69	-75.28
CC(C)C1(C)CC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311803	0	50	0.0	-70.98	354.86	8.95	-62.03
CC(C)C1(C)CC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311803	1	50	0.0	-64.29	359.94	9.16	-55.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(O)C3CC3)C[C@H]2C1	REAL300005311804	0	48	0.0	-68.04	347.82	6.55	-61.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(O)C3CC3)C[C@H]2C1	REAL300005311804	1	48	0.0	-67.27	349.83	6.47	-60.80
CCC(C)(C)C1CCC2(CC2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311805	0	66	0.0	-73.23	447.15	12.13	-61.10
CCC(C)(C)C1CCC2(CC2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311805	1	66	0.0	-67.96	449.01	12.54	-55.42
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1CC1	REAL300005311806	0	52	0.0	-67.20	386.01	9.41	-57.79
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1CC1	REAL300005311806	1	52	0.0	-69.13	385.04	9.27	-59.86
CC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005311807	0	54	0.0	-79.58	425.60	10.69	-68.89
CC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005311807	1	54	0.0	-74.88	425.79	10.74	-64.14
CSCC1=NOC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311808	0	49	0.0	-73.91	394.49	6.53	-67.38
CSCC1=NOC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311808	1	49	0.0	-69.69	394.67	6.57	-63.12
CCOC1=NC(C)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311809	0	50	0.0	-75.08	378.13	7.17	-67.91
CCOC1=NC(C)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311809	1	50	0.0	-80.75	377.48	6.92	-73.83
CCCOC1=NC(C)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311810	0	53	0.0	-75.16	399.63	7.97	-67.19
CCCOC1=NC(C)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311810	1	53	0.0	-65.51	402.63	7.83	-57.68
COCCC(C)(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311811	0	50	0.0	-70.10	354.30	6.35	-63.75
COCCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311811	1	50	0.0	-68.31	351.66	6.44	-61.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CS4)CCCCC3)C[C@H]2C1	REAL300005311812	0	57	0.0	-63.41	400.81	11.19	-52.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CS4)CCCCC3)C[C@H]2C1	REAL300005311812	1	57	0.0	-69.06	404.86	11.41	-57.65
COC1=CC(OC2CC2)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311813	0	53	0.0	-61.86	399.28	9.44	-52.42
COC1=CC(OC2CC2)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311813	1	53	0.0	-69.04	401.23	9.05	-59.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=C4)C=N3)C[C@H]2C1	REAL300005311814	0	51	0.0	-57.80	395.88	9.99	-47.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=C4)C=N3)C[C@H]2C1	REAL300005311814	1	51	0.0	-65.13	395.70	9.85	-55.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(C)(C)C)C=N3)C[C@H]2C1	REAL300005311815	0	53	0.0	-58.54	387.02	8.08	-50.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(C)(C)C)C=N3)C[C@H]2C1	REAL300005311815	1	53	0.0	-66.14	387.44	7.95	-58.19
CC1=NC=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311816	0	48	0.0	-60.88	369.45	8.25	-52.63
CC1=NC=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005311816	1	48	0.0	-68.12	369.39	7.91	-60.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCC3=NNN=C3)C[C@H]2C1	REAL300005311817	0	49	0.0	-73.95	374.98	6.50	-67.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCC3=NNN=C3)C[C@H]2C1	REAL300005311817	1	49	0.0	-68.64	376.30	6.45	-62.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCC3=CNN=N3)C[C@H]2C1	REAL300005311817	1	49	0.0	-76.11	375.08	6.58	-69.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCC3=CNN=N3)C[C@H]2C1	REAL300005311817	1	49	0.0	-72.79	375.27	6.62	-66.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Cl)=CC4=C3OCC4)C[C@H]2C1	REAL300005311818	0	49	0.0	-65.71	391.45	9.48	-56.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Cl)=CC4=C3OCC4)C[C@H]2C1	REAL300005311818	1	49	0.0	-65.92	386.63	9.50	-56.42
CCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N=N1	REAL300005311820	0	48	0.0	-79.45	361.82	7.19	-72.26
CCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N=N1	REAL300005311820	1	48	0.0	-59.41	356.56	7.24	-52.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4(C)COC4)N=N3)C[C@H]2C1	REAL300005311821	0	51	0.0	-71.49	383.41	5.59	-65.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4(C)COC4)N=N3)C[C@H]2C1	REAL300005311821	1	51	0.0	-67.43	386.59	5.48	-61.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)N=CO3)C[C@H]2C1	REAL300005311822	0	40	0.0	-64.36	323.40	4.15	-60.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)N=CO3)C[C@H]2C1	REAL300005311822	1	40	0.0	-64.55	318.87	4.24	-60.31
CC(C)N1C=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311823	0	47	0.0	-61.60	354.91	9.31	-52.29
CC(C)N1C=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311823	1	47	0.0	-60.76	355.78	9.35	-51.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COCCN3CC(F)F)C[C@H]2C1	REAL300005311825	0	50	0.0	-52.26	367.10	4.64	-47.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COCCN3CC(F)F)C[C@H]2C1	REAL300005311825	1	50	0.0	-64.58	359.17	4.11	-60.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(N4C=CN=N4)=C3)C[C@H]2C1	REAL300005311826	0	46	0.0	-70.74	357.51	6.10	-64.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(N4C=CN=N4)=C3)C[C@H]2C1	REAL300005311826	1	46	0.0	-68.15	356.50	6.02	-62.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005311827	0	48	0.0	-81.27	384.27	8.50	-72.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005311827	1	48	0.0	-69.83	379.92	8.43	-61.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(Br)C(C)(C)C)C[C@H]2C1	REAL300005311828	0	46	0.0	-53.62	347.38	8.23	-45.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(Br)C(C)(C)C)C[C@H]2C1	REAL300005311828	1	46	0.0	-68.01	344.24	8.04	-59.97
CC1=CC(C)=NN1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311829	0	50	0.0	-75.51	380.88	8.10	-67.41
CC1=CC(C)=NN1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311829	1	50	0.0	-64.99	382.20	8.06	-56.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)(F)F)NC3=O)C[C@H]2C1	REAL300005311830	0	44	0.0	-67.47	358.05	6.02	-61.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)(F)F)NC3=O)C[C@H]2C1	REAL300005311830	1	44	0.0	-61.31	361.35	6.04	-55.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNS(=O)(=O)C3=CC=CN=C3)C[C@H]2C1	REAL300005311831	0	48	0.0	-69.64	384.86	3.00	-66.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNS(=O)(=O)C3=CC=CN=C3)C[C@H]2C1	REAL300005311831	1	48	0.0	-70.78	383.72	2.81	-67.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=NC=C3)C[C@H]2C1	REAL300005311832	0	43	0.0	-75.73	331.63	7.30	-68.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=NC=C3)C[C@H]2C1	REAL300005311832	1	43	0.0	-70.25	333.19	7.27	-62.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(N3)SC=C4)C[C@H]2C1	REAL300005311833	0	42	0.0	-77.24	330.03	7.49	-69.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(N3)SC=C4)C[C@H]2C1	REAL300005311833	1	42	0.0	-66.62	332.08	7.40	-59.22
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=NN=CN1	REAL300005311834	0	46	0.0	-61.62	362.55	10.47	-51.15
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=NN=CN1	REAL300005311834	1	46	0.0	-71.07	362.84	10.38	-60.69
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=NNC=N1	REAL300005311834	1	46	0.0	-84.39	360.56	10.40	-73.99
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=NNC=N1	REAL300005311834	1	46	0.0	-78.86	362.23	10.20	-68.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CN=C4)N=C3)C[C@H]2C1	REAL300005311835	0	47	0.0	-60.78	363.08	9.65	-51.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CN=C4)N=C3)C[C@H]2C1	REAL300005311835	1	47	0.0	-71.59	360.60	9.54	-62.05
CC1=NOC2=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005311836	0	45	0.0	-73.70	344.86	5.37	-68.33
CC1=NOC2=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005311836	1	45	0.0	-70.30	345.76	5.26	-65.04
CCCN(CC)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311837	0	58	0.0	-68.99	425.74	11.05	-57.94
CCCN(CC)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311837	1	58	0.0	-70.18	420.22	10.76	-59.42
CCN(C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1)C(C)C	REAL300005311838	0	58	0.0	-56.69	415.17	10.53	-46.16
CCN(C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1)C(C)C	REAL300005311838	1	58	0.0	-70.26	409.59	10.29	-59.97
CCOC1=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1O	REAL300005311839	0	53	0.0	-69.49	406.71	7.66	-61.83
CCOC1=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1O	REAL300005311839	1	53	0.0	-68.19	408.86	7.59	-60.60
CCCN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311840	0	55	0.0	-69.10	403.93	10.11	-58.99
CCCN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311840	1	55	0.0	-70.43	398.42	9.82	-60.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311841	0	56	0.0	-69.77	412.88	8.63	-61.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300005311841	1	56	0.0	-65.72	412.92	8.87	-56.85
CC(C)C1=CC=C(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCC2)C=C1	REAL300005311842	0	63	0.0	-72.59	440.48	13.25	-59.34
CC(C)C1=CC=C(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCC2)C=C1	REAL300005311842	1	63	0.0	-65.43	440.44	12.96	-52.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CN4C=NC=N4)=C3)C[C@H]2C1	REAL300005311843	0	50	0.0	-76.47	387.05	11.04	-65.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CN4C=NC=N4)=C3)C[C@H]2C1	REAL300005311843	1	50	0.0	-83.27	386.96	11.10	-72.17
CC1=NOC(C2CC2)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311844	0	47	0.0	-58.25	368.30	8.83	-49.42
CC1=NOC(C2CC2)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311844	1	47	0.0	-69.20	368.55	8.72	-60.48
CN1N=NC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C21	REAL300005311845	0	45	0.0	-54.85	349.08	5.61	-49.24
CN1N=NC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C21	REAL300005311845	1	45	0.0	-62.74	347.98	5.54	-57.20
C#CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311846	0	43	0.0	-68.56	336.54	9.18	-59.38
C#CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311846	1	43	0.0	-69.50	331.03	8.89	-60.61
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=NC=N1	REAL300005311847	0	43	0.0	-54.23	329.24	8.41	-45.82
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=NC=N1	REAL300005311847	1	43	0.0	-70.86	330.80	7.95	-62.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=NNC=N4)=C3)C[C@H]2C1	REAL300005311848	0	47	0.0	-72.97	362.28	8.79	-64.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=NNC=N4)=C3)C[C@H]2C1	REAL300005311848	1	47	0.0	-83.64	363.55	8.89	-74.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=NN=CN4)=C3)C[C@H]2C1	REAL300005311848	1	47	0.0	-80.97	360.77	9.10	-71.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=NN=CN4)=C3)C[C@H]2C1	REAL300005311848	1	47	0.0	-72.05	362.05	9.21	-62.84
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)C=C1Cl	REAL300005311849	0	47	0.0	-74.69	364.48	9.74	-64.95
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)C=C1Cl	REAL300005311849	1	47	0.0	-70.77	361.42	9.57	-61.20
CN1C=NC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C21	REAL300005311850	0	46	0.0	-56.77	353.43	8.47	-48.30
CN1C=NC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C21	REAL300005311850	1	46	0.0	-70.31	350.94	8.35	-61.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC=CN3)C[C@H]2C1	REAL300005311851	0	44	0.0	-70.87	337.58	6.55	-64.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC=CN3)C[C@H]2C1	REAL300005311851	1	44	0.0	-67.94	337.77	6.60	-61.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(NC4CC4)=N3)C[C@H]2C1	REAL300005311852	0	46	0.0	-52.92	366.30	7.57	-45.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(NC4CC4)=N3)C[C@H]2C1	REAL300005311852	1	46	0.0	-57.98	364.65	7.55	-50.43
CC1=NC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2N1C	REAL300005311853	0	50	0.0	-70.79	375.68	9.04	-61.75
CC1=NC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2N1C	REAL300005311853	1	50	0.0	-74.32	375.87	8.94	-65.38
CC1=NN(C(C)CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311854	0	50	0.0	-65.29	377.41	8.12	-57.17
CC1=NN(C(C)CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311854	1	50	0.0	-73.62	375.88	8.15	-65.47
CCNC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005311855	0	45	0.0	-57.24	355.98	6.72	-50.52
CCNC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005311855	1	45	0.0	-67.01	352.86	6.49	-60.52
CC1=CC=C2SN=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005311856	0	46	0.0	-70.45	360.77	9.29	-61.16
CC1=CC=C2SN=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005311856	1	46	0.0	-66.62	362.10	9.16	-57.46
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(S(N)(=O)=O)O1	REAL300005311857	0	46	0.0	-74.49	363.52	1.84	-72.65
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(S(N)(=O)=O)O1	REAL300005311857	1	46	0.0	-71.45	364.98	1.86	-69.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)CC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005311858	0	56	0.0	-73.24	419.30	11.88	-61.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)CC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005311858	1	56	0.0	-69.45	419.47	11.94	-57.51
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311859	0	58	0.0	-67.17	429.21	12.48	-54.69
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311859	1	58	0.0	-64.52	431.62	12.49	-52.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005311860	0	48	0.0	-66.43	389.84	10.01	-56.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005311860	1	48	0.0	-72.24	390.19	9.98	-62.26
CC1=C(Br)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005311861	0	44	0.0	-68.37	358.21	6.23	-62.14
CC1=C(Br)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005311861	1	44	0.0	-69.20	361.47	6.20	-63.00
CN1N=C(C(F)F)C2=C1SC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)=C2	REAL300005311862	0	47	0.0	-66.59	383.48	7.84	-58.75
CN1N=C(C(F)F)C2=C1SC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)=C2	REAL300005311862	1	47	0.0	-74.66	383.59	7.88	-66.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4CCOCC4)=N3)C[C@H]2C1	REAL300005311863	0	51	0.0	-70.25	384.41	5.34	-64.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4CCOCC4)=N3)C[C@H]2C1	REAL300005311863	1	51	0.0	-66.41	386.08	5.13	-61.28
CCC1=NC(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=NN1	REAL300005311864	0	53	0.0	-58.06	408.61	9.34	-48.72
CCC1=NC(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=NN1	REAL300005311864	1	53	0.0	-64.15	402.73	9.40	-54.75
COCCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005311865	0	52	0.0	-60.78	409.85	8.39	-52.39
COCCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005311865	1	52	0.0	-80.26	409.00	8.05	-72.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4)CCOCC3)C[C@H]2C1	REAL300005311866	0	58	0.0	-66.58	398.23	10.02	-56.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=CC=C4)CCOCC3)C[C@H]2C1	REAL300005311866	1	58	0.0	-69.77	397.87	9.93	-59.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCS(=O)(=O)C3)C[C@H]2C1	REAL300005311867	0	50	0.0	-79.29	375.67	5.78	-73.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCS(=O)(=O)C3)C[C@H]2C1	REAL300005311867	1	50	0.0	-69.46	375.30	5.35	-64.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CCOCC4)N=N3)C[C@H]2C1	REAL300005311868	0	51	0.0	-55.44	383.68	5.70	-49.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CCOCC4)N=N3)C[C@H]2C1	REAL300005311868	1	51	0.0	-66.24	384.09	5.60	-60.64
CC(C)C1CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005311869	0	57	0.0	-72.60	406.39	9.06	-63.54
CC(C)C1CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005311869	1	57	0.0	-64.55	406.31	9.11	-55.44
CCC1CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005311870	0	54	0.0	-71.90	389.32	8.53	-63.37
CCC1CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005311870	1	54	0.0	-64.52	383.99	8.29	-56.23
CCC1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005311871	0	51	0.0	-63.69	368.51	7.53	-56.16
CCC1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005311871	1	51	0.0	-66.61	361.42	7.35	-59.26
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=NO1	REAL300005311872	0	53	0.0	-61.48	406.64	10.99	-50.49
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=NO1	REAL300005311872	1	53	0.0	-60.71	415.01	10.78	-49.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CC4)N=C3N)C[C@H]2C1	REAL300005311873	0	48	0.0	-70.97	364.33	6.60	-64.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CC4)N=C3N)C[C@H]2C1	REAL300005311873	1	48	0.0	-69.26	364.07	6.68	-62.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCC4=CO3)C[C@H]2C1	REAL300005311874	0	45	0.0	-73.21	338.46	8.36	-64.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCC4=CO3)C[C@H]2C1	REAL300005311874	1	45	0.0	-70.42	338.86	8.36	-62.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCOCC4=CO3)C[C@H]2C1	REAL300005311875	0	46	0.0	-62.96	344.29	6.49	-56.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCOCC4=CO3)C[C@H]2C1	REAL300005311875	1	46	0.0	-65.65	343.67	6.62	-59.03
C=CC(C)(CCOC)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311876	0	51	0.0	-62.56	356.23	7.36	-55.20
C=CC(C)(CCOC)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311876	1	51	0.0	-65.53	365.58	6.73	-58.80
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CN(C)N=C1	REAL300005311877	0	48	0.0	-72.76	366.47	6.54	-66.22
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CN(C)N=C1	REAL300005311877	1	48	0.0	-70.59	362.41	6.35	-64.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)S(=O)(=O)C3CC3)C[C@H]2C1	REAL300005311878	0	50	0.0	-83.92	370.52	5.54	-78.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)S(=O)(=O)C3CC3)C[C@H]2C1	REAL300005311878	1	50	0.0	-81.51	369.49	5.60	-75.91
CN1C=C(OC2=CC=CC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311879	0	52	0.0	-75.54	400.03	9.47	-66.07
CN1C=C(OC2=CC=CC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005311879	1	52	0.0	-59.46	397.15	9.69	-49.77
CN1N=CC2=C1N=C(CCC(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)NC2=O	REAL300005311880	0	52	0.0	-76.87	406.00	7.09	-69.78
CN1N=CC2=C1N=C(CCC(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)NC2=O	REAL300005311880	1	52	0.0	-71.89	407.33	7.03	-64.86
COC1=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1O	REAL300005311881	0	49	0.0	-79.53	375.54	6.15	-73.38
COC1=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1O	REAL300005311881	1	49	0.0	-68.03	376.01	6.15	-61.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(O)C(F)=C3)C[C@H]2C1	REAL300005311882	0	45	0.0	-80.69	352.51	6.24	-74.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(O)C(F)=C3)C[C@H]2C1	REAL300005311882	1	45	0.0	-65.69	353.00	6.25	-59.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3CCCCC3)C[C@H]2C1	REAL300005311883	0	51	0.0	-46.07	363.87	7.16	-38.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3CCCCC3)C[C@H]2C1	REAL300005311883	1	51	0.0	-65.23	357.51	6.86	-58.37
CC1CCC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311884	0	53	0.0	-72.59	370.44	9.74	-62.85
CC1CCC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311884	1	53	0.0	-68.78	370.62	9.79	-58.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=NC=C4)=C3)C[C@H]2C1	REAL300005311885	0	46	0.0	-69.11	362.56	7.88	-61.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=NC=C4)=C3)C[C@H]2C1	REAL300005311885	1	46	0.0	-67.14	363.07	7.88	-59.26
CC1=NC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311886	0	43	0.0	-81.05	321.79	6.80	-74.25
CC1=NC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311886	1	43	0.0	-63.02	324.46	6.74	-56.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CS(C)(=O)=O)C[C@H]2C1	REAL300005311887	0	40	0.0	-82.11	318.54	3.48	-78.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CS(C)(=O)=O)C[C@H]2C1	REAL300005311887	1	40	0.0	-86.46	318.50	3.15	-83.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(O)=C3)C[C@H]2C1	REAL300005311888	0	45	0.0	-65.69	349.49	6.24	-59.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(O)=C3)C[C@H]2C1	REAL300005311888	1	45	0.0	-69.66	345.22	6.32	-63.34
COC1=CC=CC=C1C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005311889	0	51	0.0	-69.90	398.24	9.05	-60.85
COC1=CC=CC=C1C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005311889	1	51	0.0	-67.09	399.94	8.89	-58.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)CCC3=CC=CC=C3)C[C@H]2C1	REAL300005311890	0	51	0.0	-63.88	386.52	8.35	-55.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)CCC3=CC=CC=C3)C[C@H]2C1	REAL300005311890	1	51	0.0	-67.81	386.09	8.30	-59.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OC(F)(F)OC4=C3)C[C@H]2C1	REAL300005311891	0	44	0.0	-49.33	345.29	7.02	-42.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OC(F)(F)OC4=C3)C[C@H]2C1	REAL300005311891	1	44	0.0	-66.65	347.89	7.09	-59.56
CC1=CN=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311892	0	43	0.0	-66.10	323.56	6.83	-59.27
CC1=CN=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311892	1	43	0.0	-69.19	323.73	6.71	-62.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCCC3)C[C@H]2C1	REAL300005311893	0	50	0.0	-72.78	341.58	8.46	-64.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCCC3)C[C@H]2C1	REAL300005311893	1	50	0.0	-66.44	340.69	8.36	-58.08
CCCOC1=CC=CN=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311895	0	50	0.0	-63.29	377.46	9.38	-53.91
CCCOC1=CC=CN=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311895	1	50	0.0	-71.18	377.89	9.28	-61.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(C(C)(C)C)C=C4)CCC3)C[C@H]2C1	REAL300005311896	0	63	0.0	-74.03	446.69	12.55	-61.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(C(C)(C)C)C=C4)CCC3)C[C@H]2C1	REAL300005311896	1	63	0.0	-63.32	448.08	12.45	-50.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CC=N4)S3)C[C@H]2C1	REAL300005311897	0	46	0.0	-74.36	369.74	7.14	-67.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CC=N4)S3)C[C@H]2C1	REAL300005311897	1	46	0.0	-68.29	370.83	7.21	-61.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CN=C4)N=N3)C[C@H]2C1	REAL300005311898	0	46	0.0	-57.33	360.19	9.13	-48.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4C=CN=C4)N=N3)C[C@H]2C1	REAL300005311898	1	46	0.0	-67.03	360.41	9.01	-58.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC4=CC=NC=C4)C=C3)C[C@H]2C1	REAL300005311899	1	52	0.0	-64.91	394.51	8.55	-56.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC4=CC=NC=C4)C=C3)C[C@H]2C1	REAL300005311899	1	52	0.0	-65.43	394.94	8.47	-56.96
CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300005311900	0	47	0.0	-69.99	369.99	7.63	-62.36
CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300005311900	1	47	0.0	-64.83	368.96	7.77	-57.06
CN1C=CN=C1CNC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311901	0	56	0.0	-74.78	426.06	8.97	-65.81
CN1C=CN=C1CNC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311901	1	56	0.0	-63.72	424.38	8.81	-54.91
CCOCCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311902	0	52	0.0	-72.28	409.26	2.51	-69.77
CCOCCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311902	1	52	0.0	-69.13	411.34	2.43	-66.70
CC1=CN2C=CN=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=N1	REAL300005311903	0	46	0.0	-84.88	354.11	8.42	-76.46
CC1=CN2C=CN=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=N1	REAL300005311903	1	46	0.0	-77.45	355.64	8.28	-69.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(N4CCOCC4)=C3)C[C@H]2C1	REAL300005311904	0	53	0.0	-66.13	387.58	4.94	-61.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(N4CCOCC4)=C3)C[C@H]2C1	REAL300005311904	1	53	0.0	-75.13	387.31	4.97	-70.16
COC1=CC=CC=C1N1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311905	0	55	0.0	-71.03	414.98	9.08	-61.95
COC1=CC=CC=C1N1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311905	1	55	0.0	-70.47	414.28	8.98	-61.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCOC4)C[C@H]2C1	REAL300005311906	0	46	0.0	-66.46	338.35	6.82	-59.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCOC4)C[C@H]2C1	REAL300005311906	1	46	0.0	-67.18	340.60	6.74	-60.44
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300005311907	0	50	0.0	-58.89	395.65	10.33	-48.56
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300005311907	1	50	0.0	-70.15	395.04	10.34	-59.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)SC=N3)C[C@H]2C1	REAL300005311908	0	47	0.0	-59.41	373.70	9.63	-49.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)SC=N3)C[C@H]2C1	REAL300005311908	1	47	0.0	-69.05	370.59	9.42	-59.63
CN(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NC2=CC=CC=C21	REAL300005311909	0	54	0.0	-58.22	406.64	9.07	-49.15
CN(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NC2=CC=CC=C21	REAL300005311909	1	54	0.0	-68.16	403.52	8.86	-59.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CCOC4)C=C3)C[C@H]2C1	REAL300005311910	0	53	0.0	-69.29	395.37	7.66	-61.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CCOC4)C=C3)C[C@H]2C1	REAL300005311910	1	53	0.0	-59.26	393.04	7.56	-51.70
CC1=C(Br)C=CC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311911	0	47	0.0	-64.13	371.82	10.43	-53.70
CC1=C(Br)C=CC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311911	1	47	0.0	-67.38	373.36	10.07	-57.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(O)=C3OC(F)(F)F)C[C@H]2C1	REAL300005311912	0	46	0.0	-74.81	367.99	6.58	-68.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(O)=C3OC(F)(F)F)C[C@H]2C1	REAL300005311912	1	46	0.0	-70.66	368.20	6.27	-64.39
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)NC2=CC=CC=C21	REAL300005311913	0	50	0.0	-55.18	385.66	7.88	-47.30
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)NC2=CC=CC=C21	REAL300005311913	1	50	0.0	-66.10	384.50	7.75	-58.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CN4C(C(F)(F)F)=N3)C[C@H]2C1	REAL300005311914	0	47	0.0	-59.31	375.79	10.10	-49.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CN4C(C(F)(F)F)=N3)C[C@H]2C1	REAL300005311914	1	47	0.0	-69.77	376.88	10.16	-59.61
CC1=NOC(C)=C1C(C)(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311915	0	52	0.0	-59.17	369.69	8.55	-50.62
CC1=NOC(C)=C1C(C)(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311915	1	52	0.0	-70.23	367.94	7.88	-62.35
CCCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CN1	REAL300005311916	0	48	0.0	-62.96	356.39	8.02	-54.94
CCCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CN1	REAL300005311916	1	48	0.0	-63.08	355.26	7.95	-55.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=CC=C4N=C3C3CC3)C[C@H]2C1	REAL300005311917	0	52	0.0	-70.11	403.19	8.77	-61.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=CC=C4N=C3C3CC3)C[C@H]2C1	REAL300005311917	1	52	0.0	-67.38	395.52	9.48	-57.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CN=C4)CC3)C[C@H]2C1	REAL300005311918	0	47	0.0	-54.41	358.21	8.24	-46.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CN=C4)CC3)C[C@H]2C1	REAL300005311918	1	47	0.0	-68.53	357.70	8.13	-60.40
CN(C)C1=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1	REAL300005311919	0	55	0.0	-61.72	410.95	10.69	-51.03
CN(C)C1=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1	REAL300005311919	1	55	0.0	-69.65	409.48	10.31	-59.34
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(Br)C(=O)N1	REAL300005311920	0	44	0.0	-80.65	361.80	6.25	-74.40
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(Br)C(=O)N1	REAL300005311920	1	44	0.0	-60.19	357.40	6.15	-54.04
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N(C)CC(F)(F)F	REAL300005311921	0	48	0.0	-60.76	357.24	5.94	-54.82
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N(C)CC(F)(F)F	REAL300005311921	1	48	0.0	-73.88	355.32	5.82	-68.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(N4CCOCC4)CC3)C[C@H]2C1	REAL300005311923	1	60	0.0	-64.28	412.66	6.41	-57.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(N4CCOCC4)CC3)C[C@H]2C1	REAL300005311923	1	60	0.0	-62.48	416.63	6.65	-55.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC4=NNN=C43)C[C@H]2C1	REAL300005311924	0	43	0.0	-61.96	338.64	5.45	-56.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC4=NNN=C43)C[C@H]2C1	REAL300005311924	1	43	0.0	-64.25	339.11	5.33	-58.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NN=NC4=CC(F)=C3)C[C@H]2C1	REAL300005311924	1	43	0.0	-75.24	337.29	5.29	-69.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NN=NC4=CC(F)=C3)C[C@H]2C1	REAL300005311924	1	43	0.0	-71.39	337.06	5.28	-66.11
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311925	0	54	0.0	-72.83	418.09	9.74	-63.09
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311925	1	54	0.0	-66.44	423.46	9.91	-56.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=CN3CC3=CC=CC=C3)C[C@H]2C1	REAL300005311926	0	54	0.0	-67.38	413.57	11.77	-55.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=CN3CC3=CC=CC=C3)C[C@H]2C1	REAL300005311926	1	54	0.0	-70.73	413.23	11.67	-59.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CO)C3=CC=CC=C3)C[C@H]2C1	REAL300005311927	0	48	0.0	-67.19	363.05	6.15	-61.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CO)C3=CC=CC=C3)C[C@H]2C1	REAL300005311927	1	48	0.0	-65.15	359.77	5.93	-59.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N)C(OC(F)(F)F)=C3)C[C@H]2C1	REAL300005311928	0	47	0.0	-67.22	368.99	5.74	-61.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N)C(OC(F)(F)F)=C3)C[C@H]2C1	REAL300005311928	1	47	0.0	-79.10	368.05	5.77	-73.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(O)C(F)=C3)C[C@H]2C1	REAL300005311929	0	42	0.0	-59.82	324.32	5.14	-54.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(O)C(F)=C3)C[C@H]2C1	REAL300005311929	1	42	0.0	-69.92	325.45	5.22	-64.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005311930	0	45	0.0	-74.42	354.95	7.32	-67.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005311930	1	45	0.0	-62.16	351.88	7.40	-54.76
CSCCC(O)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311931	0	45	0.0	-72.30	349.21	5.82	-66.48
CSCCC(O)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311931	1	45	0.0	-65.07	345.68	5.58	-59.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(F)C4=CC=CC=C34)C[C@H]2C1	REAL300005311932	0	47	0.0	-57.97	359.74	10.68	-47.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(F)C4=CC=CC=C34)C[C@H]2C1	REAL300005311932	1	47	0.0	-74.96	358.91	10.32	-64.64
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005311933	0	44	0.0	-59.60	346.33	9.53	-50.07
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005311933	1	44	0.0	-63.38	347.41	9.12	-54.26
CC(C)CC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311934	0	59	0.0	-46.32	434.03	12.21	-34.11
CC(C)CC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005311934	1	59	0.0	-66.56	432.61	12.00	-54.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC(O)=CC=C43)C[C@H]2C1	REAL300005311935	0	48	0.0	-72.78	363.40	7.39	-65.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC(O)=CC=C43)C[C@H]2C1	REAL300005311935	1	48	0.0	-79.06	364.31	7.44	-71.62
CC1=CSC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311936	0	41	0.0	-50.30	319.89	7.76	-42.54
CC1=CSC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311936	1	41	0.0	-66.91	321.35	7.64	-59.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCN3C=NC4=CC=CC=C43)C[C@H]2C1	REAL300005311937	0	53	0.0	-83.11	407.04	11.44	-71.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCN3C=NC4=CC=CC=C43)C[C@H]2C1	REAL300005311937	1	53	0.0	-76.32	408.36	11.39	-64.93
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1O	REAL300005311938	0	50	0.0	-63.83	376.04	5.26	-58.57
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1O	REAL300005311938	1	50	0.0	-69.68	376.62	4.85	-64.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3NCC3=CC=CC=C3)C[C@H]2C1	REAL300005311939	0	56	0.0	-63.81	424.50	10.94	-52.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3NCC3=CC=CC=C3)C[C@H]2C1	REAL300005311939	1	56	0.0	-65.24	424.72	10.81	-54.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CC=C4C3)C[C@H]2C1	REAL300005311940	0	48	0.0	-61.97	351.02	10.17	-51.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CC=C4C3)C[C@H]2C1	REAL300005311940	1	48	0.0	-66.11	352.86	10.10	-56.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3N3CCCCC3)C[C@H]2C1	REAL300005311941	0	55	0.0	-80.15	402.34	9.24	-70.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3N3CCCCC3)C[C@H]2C1	REAL300005311941	1	55	0.0	-64.70	404.77	9.05	-55.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)(F)F)C=C3O)C[C@H]2C1	REAL300005311942	0	45	0.0	-69.40	357.85	7.22	-62.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)(F)F)C=C3O)C[C@H]2C1	REAL300005311942	1	45	0.0	-58.84	359.39	7.21	-51.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C(F)(F)F)CC3)C[C@H]2C1	REAL300005311943	0	50	0.0	-46.68	374.99	9.72	-36.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C(F)(F)F)CC3)C[C@H]2C1	REAL300005311943	1	50	0.0	-69.46	372.35	9.24	-60.22
CC(NS(C)(=O)=O)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311944	0	45	0.0	-76.04	345.75	1.87	-74.17
CC(NS(C)(=O)=O)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311944	1	45	0.0	-81.49	349.41	1.92	-79.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H](O)C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005311945	0	45	0.0	-67.15	348.97	6.49	-60.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H](O)C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005311945	1	45	0.0	-60.43	345.75	6.66	-53.77
CC1=NOC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311946	0	43	0.0	-81.62	334.88	7.28	-74.34
CC1=NOC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311946	1	43	0.0	-75.94	335.92	7.25	-68.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005311947	0	56	0.0	-73.83	412.99	11.39	-62.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(C(C)(C)C)C=C3)C[C@H]2C1	REAL300005311947	1	56	0.0	-68.69	414.52	11.36	-57.33
C[C@@H](OCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311948	0	51	0.0	-70.45	386.14	9.99	-60.46
C[C@@H](OCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311948	1	51	0.0	-69.80	387.11	9.87	-59.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C(N)C(Cl)=C3)C[C@H]2C1	REAL300005311949	0	43	0.0	-63.45	351.95	7.02	-56.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=C(N)C(Cl)=C3)C[C@H]2C1	REAL300005311949	1	43	0.0	-64.95	350.91	6.85	-58.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(O)CC3)C[C@H]2C1	REAL300005311950	0	48	0.0	-77.27	343.79	4.96	-72.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(O)CC3)C[C@H]2C1	REAL300005311950	1	48	0.0	-70.98	345.98	4.98	-66.00
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C(F)(F)F)O1	REAL300005311951	0	44	0.0	-65.50	346.00	8.44	-57.06
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C(F)(F)F)O1	REAL300005311951	1	44	0.0	-75.07	346.73	8.08	-66.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311952	0	49	0.0	-68.83	387.72	8.38	-60.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311952	1	49	0.0	-66.46	389.81	8.30	-58.16
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311953	0	49	0.0	-67.24	370.18	7.54	-59.70
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311953	1	49	0.0	-75.07	371.38	7.09	-67.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)(F)F)=NN3)C[C@H]2C1	REAL300005311954	0	41	0.0	-63.31	330.57	5.84	-57.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)(F)F)=NN3)C[C@H]2C1	REAL300005311954	1	41	0.0	-68.62	330.45	5.85	-62.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311954	1	41	0.0	-57.38	333.86	5.98	-51.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005311954	1	41	0.0	-64.54	334.28	5.84	-58.70
CC1=CC=CN2C=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C12	REAL300005311955	0	50	0.0	-75.15	385.86	10.28	-64.87
CC1=CC=CN2C=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C12	REAL300005311955	1	50	0.0	-79.62	385.35	10.24	-69.38
CC1=NC=CN1CCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311956	0	50	0.0	-81.65	379.95	9.24	-72.41
CC1=NC=CN1CCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311956	1	50	0.0	-77.01	380.14	9.29	-67.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCN3CCOCC3)C[C@H]2C1	REAL300005311957	0	56	0.0	-74.31	408.12	6.13	-68.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCN3CCOCC3)C[C@H]2C1	REAL300005311957	1	56	0.0	-70.61	408.31	6.18	-64.43
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005311958	0	41	0.0	-64.90	320.79	7.78	-57.12
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005311958	1	41	0.0	-62.62	320.89	7.66	-54.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)N3CCOCC3)C[C@H]2C1	REAL300005311959	0	53	0.0	-47.02	363.13	6.47	-40.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)N3CCOCC3)C[C@H]2C1	REAL300005311959	1	53	0.0	-59.30	363.22	5.86	-53.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4COCC(C3)C4=O)C[C@H]2C1	REAL300005311961	0	51	0.0	-69.33	366.72	7.38	-61.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4COCC(C3)C4=O)C[C@H]2C1	REAL300005311961	1	51	0.0	-66.69	360.08	8.07	-58.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CCCCCC3)C[C@H]2C1	REAL300005311962	0	48	0.0	-49.30	336.26	8.43	-40.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CCCCCC3)C[C@H]2C1	REAL300005311962	1	48	0.0	-70.98	347.37	8.98	-62.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C(C)(C)O)C[C@H]2C1	REAL300005311963	0	45	0.0	-73.82	324.58	2.66	-71.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C(C)(C)O)C[C@H]2C1	REAL300005311963	1	45	0.0	-67.72	319.82	2.51	-65.21
CCC(CC)(CO)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311964	0	50	0.0	-48.06	345.31	4.48	-43.58
CCC(CC)(CO)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311964	1	50	0.0	-60.82	343.87	4.65	-56.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC3(C)C)C[C@H]2C1	REAL300005311965	0	50	0.0	-65.38	352.83	9.05	-56.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC3(C)C)C[C@H]2C1	REAL300005311965	1	50	0.0	-65.13	354.44	9.01	-56.12
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N(C)N=C1	REAL300005311966	0	44	0.0	-60.95	340.05	6.69	-54.26
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N(C)N=C1	REAL300005311966	1	44	0.0	-71.16	336.78	6.48	-64.68
CSCC(C)(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311967	0	47	0.0	-72.30	346.52	7.81	-64.49
CSCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311967	1	47	0.0	-58.55	345.60	7.74	-50.81
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)=C1CCCC1	REAL300005311968	0	48	0.0	-76.19	342.89	8.96	-67.23
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)=C1CCCC1	REAL300005311968	1	48	0.0	-67.48	354.63	9.03	-58.45
CC=C(C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)CC	REAL300005311969	0	48	0.0	-58.49	361.18	9.30	-49.19
CC=C(C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)CC	REAL300005311969	1	48	0.0	-63.80	361.89	9.24	-54.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCS3)C[C@H]2C1	REAL300005311970	0	45	0.0	-64.59	339.40	8.34	-56.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCS3)C[C@H]2C1	REAL300005311970	1	45	0.0	-64.59	336.17	8.16	-56.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C)CCCC3)C[C@H]2C1	REAL300005311971	0	50	0.0	-60.93	355.81	9.18	-51.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C)CCCC3)C[C@H]2C1	REAL300005311971	1	50	0.0	-66.18	355.80	9.12	-57.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(=O)N3)C[C@H]2C1	REAL300005311972	0	38	0.0	-59.20	303.81	4.38	-54.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(=O)N3)C[C@H]2C1	REAL300005311972	1	38	0.0	-64.81	300.53	4.25	-60.56
CCC(C)(C)C(O)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311973	0	50	0.0	-61.54	346.64	6.28	-55.26
CCC(C)(C)C(O)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311973	1	50	0.0	-60.73	343.49	6.30	-54.43
CSC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005311974	0	45	0.0	-58.62	339.31	8.09	-50.53
CSC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1	REAL300005311974	1	45	0.0	-65.43	336.63	7.86	-57.57
COC(CC(C)C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311975	0	50	0.0	-46.24	364.79	8.44	-37.80
COC(CC(C)C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311975	1	50	0.0	-69.36	361.81	7.86	-61.50
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NS1	REAL300005311976	0	40	0.0	-59.59	316.32	6.88	-52.71
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NS1	REAL300005311976	1	40	0.0	-66.94	314.95	6.69	-60.25
CCC1=NOC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311977	0	43	0.0	-50.29	324.62	6.85	-43.44
CCC1=NOC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311977	1	43	0.0	-64.08	323.75	7.04	-57.04
CCN1N=NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311978	0	43	0.0	-62.96	322.70	5.18	-57.78
CCN1N=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311978	1	43	0.0	-61.94	324.32	5.19	-56.75
CC1=COC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311979	0	44	0.0	-71.96	332.16	7.77	-64.19
CC1=COC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005311979	1	44	0.0	-66.75	333.84	7.67	-59.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)C3)C[C@H]2C1	REAL300005311980	0	50	0.0	-66.63	358.56	8.96	-57.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)C3)C[C@H]2C1	REAL300005311980	1	50	0.0	-63.17	359.60	9.12	-54.05
CC1CCC(=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005311981	0	48	0.0	-72.13	350.62	9.26	-62.87
CC1CCC(=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005311981	1	48	0.0	-67.95	351.08	9.31	-58.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C(F)F)C[C@H]2C1	REAL300005311982	0	43	0.0	-76.52	317.45	6.98	-69.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C(F)F)C[C@H]2C1	REAL300005311982	1	43	0.0	-56.52	315.94	6.91	-49.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C3CC3)C[C@H]2C1	REAL300005311983	0	50	0.0	-70.08	353.38	9.21	-60.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C3CC3)C[C@H]2C1	REAL300005311983	1	50	0.0	-63.27	354.67	9.18	-54.09
C#CC1=CN=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311985	0	42	0.0	-60.07	328.65	7.70	-52.37
C#CC1=CN=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005311985	1	42	0.0	-67.38	329.57	7.24	-60.14
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC1=CC=NC=C1	REAL300005311986	0	54	0.0	-63.68	413.35	9.79	-53.89
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC1=CC=NC=C1	REAL300005311986	1	54	0.0	-66.81	413.25	9.70	-57.11
CC(=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1C	REAL300005311987	0	51	0.0	-60.96	381.05	10.86	-50.10
CC(=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1C	REAL300005311987	1	51	0.0	-63.00	383.73	10.80	-52.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(O)CC3=CC=CC=C3)C[C@H]2C1	REAL300005311988	0	51	0.0	-56.01	380.53	7.27	-48.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(O)CC3=CC=CC=C3)C[C@H]2C1	REAL300005311988	1	51	0.0	-58.39	378.93	7.18	-51.21
CC(OC1=CC=CN=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311989	0	47	0.0	-81.59	353.95	7.59	-74.00
CC(OC1=CC=CN=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311989	1	47	0.0	-75.04	350.89	7.46	-67.58
CCC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005311990	0	53	0.0	-77.99	405.64	10.64	-67.35
CCC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005311990	1	53	0.0	-73.03	407.36	10.48	-62.55
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300005311991	0	51	0.0	-52.69	384.86	9.31	-43.38
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300005311991	1	51	0.0	-67.80	386.41	9.28	-58.52
COCCCC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311992	0	50	0.0	-50.09	367.83	7.07	-43.02
COCCCC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311992	1	50	0.0	-68.63	367.78	6.93	-61.70
CNS(=O)(=O)N1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311993	0	54	0.0	-76.05	405.89	3.38	-72.67
CNS(=O)(=O)N1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005311993	1	54	0.0	-64.07	407.40	3.35	-60.72
COCCCOCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311994	0	48	0.0	-67.09	368.31	6.33	-60.76
COCCCOCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311994	1	48	0.0	-73.62	368.72	6.30	-67.32
CCC(SC)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311995	0	44	0.0	-76.38	333.42	7.60	-68.78
CCC(SC)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005311995	1	44	0.0	-68.74	340.21	7.67	-61.07
COC1=CC=CC(C2=NC(C)=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N2)=C1	REAL300005311996	0	55	0.0	-58.75	417.79	8.87	-49.88
COC1=CC=CC(C2=NC(C)=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N2)=C1	REAL300005311996	1	55	0.0	-76.73	416.75	8.90	-67.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C4=CC=C(Cl)C=C4)=C3)C[C@H]2C1	REAL300005311997	0	50	0.0	-65.41	393.21	10.08	-55.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C4=CC=C(Cl)C=C4)=C3)C[C@H]2C1	REAL300005311997	1	50	0.0	-68.26	393.40	9.98	-58.28
CC1=CC=C(C2=CN=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1	REAL300005311998	0	53	0.0	-64.05	397.88	10.24	-53.81
CC1=CC=C(C2=CN=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1	REAL300005311998	1	53	0.0	-68.42	398.07	10.13	-58.29
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=N2)=NO1	REAL300005311999	0	49	0.0	-53.94	390.35	8.53	-45.41
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=N2)=NO1	REAL300005311999	1	49	0.0	-70.51	383.55	8.54	-61.97
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CN=C2)=NO1	REAL300005312000	0	49	0.0	-52.65	388.69	8.29	-44.36
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CN=C2)=NO1	REAL300005312000	1	49	0.0	-75.16	385.16	8.47	-66.69
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=NC=C2)=NO1	REAL300005312001	0	49	0.0	-49.12	389.13	8.33	-40.79
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=NC=C2)=NO1	REAL300005312001	1	49	0.0	-67.90	375.31	8.30	-59.60
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CC=N1	REAL300005312002	0	47	0.0	-65.90	352.72	7.53	-58.37
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CC=N1	REAL300005312002	1	47	0.0	-69.76	354.79	7.46	-62.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4CCC4)=N3)C[C@H]2C1	REAL300005312003	0	47	0.0	-58.76	356.98	6.47	-52.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4CCC4)=N3)C[C@H]2C1	REAL300005312003	1	47	0.0	-66.96	358.08	6.49	-60.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CCSC3)C[C@H]2C1	REAL300005312004	0	43	0.0	-63.37	325.20	4.62	-58.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CCSC3)C[C@H]2C1	REAL300005312004	1	43	0.0	-62.99	315.95	4.99	-58.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(CN4C=NN=N4)CCCCC3)C[C@H]2C1	REAL300005312005	0	58	0.0	-57.31	409.88	10.30	-47.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(CN4C=NN=N4)CCCCC3)C[C@H]2C1	REAL300005312005	1	58	0.0	-66.50	410.41	9.92	-56.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC=C3OC3=CC=CC=C3)C[C@H]2C1	REAL300005312006	0	51	0.0	-64.79	393.78	11.12	-53.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC=C3OC3=CC=CC=C3)C[C@H]2C1	REAL300005312006	1	51	0.0	-72.50	393.77	11.01	-61.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(Cl)C=C3F)C[C@H]2C1	REAL300005312007	0	45	0.0	-52.58	351.74	7.27	-45.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(Cl)C=C3F)C[C@H]2C1	REAL300005312007	1	45	0.0	-60.61	360.74	6.95	-53.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC(Cl)=CC(Cl)=C3)C[C@H]2C1	REAL300005312008	0	45	0.0	-72.01	372.39	7.84	-64.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC(Cl)=CC(Cl)=C3)C[C@H]2C1	REAL300005312008	1	45	0.0	-62.98	370.71	7.66	-55.32
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1N1CCOCC1	REAL300005312009	0	57	0.0	-67.81	414.87	8.13	-59.68
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1N1CCOCC1	REAL300005312009	1	57	0.0	-70.79	415.04	8.01	-62.78
CN1C=C(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)O2)C=N1	REAL300005312010	0	48	0.0	-57.91	379.49	8.08	-49.83
CN1C=C(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)O2)C=N1	REAL300005312010	1	48	0.0	-70.39	379.32	7.93	-62.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(CN4C=CC=N4)=C3)C[C@H]2C1	REAL300005312013	0	47	0.0	-73.77	371.72	7.69	-66.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(CN4C=CC=N4)=C3)C[C@H]2C1	REAL300005312013	1	47	0.0	-71.46	372.23	7.70	-63.76
CC1=NN(CC(F)(F)F)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312014	0	47	0.0	-89.09	368.55	7.71	-81.38
CC1=NN(CC(F)(F)F)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312014	1	47	0.0	-67.60	370.52	7.87	-59.73
COC1=CC=CC(C(C)CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312015	0	60	0.0	-66.34	445.20	11.47	-54.87
COC1=CC=CC(C(C)CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312015	1	60	0.0	-72.83	445.15	11.12	-61.71
CC1CC2=C(NN=C2)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312016	0	51	0.0	-69.06	374.75	7.84	-61.22
CC1CC2=C(NN=C2)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312016	1	51	0.0	-68.65	378.41	7.49	-61.16
CC1CC2=CNN=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312016	1	51	0.0	-60.20	371.72	7.88	-52.32
CC1CC2=CNN=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312016	1	51	0.0	-69.20	378.18	7.56	-61.64
CC1=NOC(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)=C1	REAL300005312017	0	47	0.0	-59.28	363.62	8.40	-50.88
CC1=NOC(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)=C1	REAL300005312017	1	47	0.0	-65.68	362.49	8.36	-57.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CNC(=O)C=C3)C[C@H]2C1	REAL300005312018	0	47	0.0	-69.69	363.03	7.16	-62.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CNC(=O)C=C3)C[C@H]2C1	REAL300005312018	1	47	0.0	-73.30	362.98	6.81	-66.49
COC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005312019	0	47	0.0	-81.82	359.65	6.71	-75.11
COC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005312019	1	47	0.0	-73.90	360.82	6.67	-67.23
CC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N1C	REAL300005312020	0	44	0.0	-64.18	325.81	6.84	-57.34
CC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N1C	REAL300005312020	1	44	0.0	-64.16	324.81	7.08	-57.08
CN1N=CC2=C1CC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)CC2	REAL300005312021	0	51	0.0	-54.12	376.94	8.26	-45.86
CN1N=CC2=C1CC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)CC2	REAL300005312021	1	51	0.0	-65.88	377.09	8.27	-57.61
CC1=CC=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312022	0	42	0.0	-65.89	323.92	6.93	-58.96
CC1=CC=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312022	1	42	0.0	-66.82	319.69	7.05	-59.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(O)C=C3)C[C@H]2C1	REAL300005312023	0	48	0.0	-62.45	369.45	7.42	-55.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(O)C=C3)C[C@H]2C1	REAL300005312023	1	48	0.0	-69.67	369.41	7.07	-62.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=NC=CC=C4C=C3)C[C@H]2C1	REAL300005312024	0	45	0.0	-56.80	347.76	8.30	-48.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=NC=CC=C4C=C3)C[C@H]2C1	REAL300005312024	1	45	0.0	-69.90	348.19	8.17	-61.73
CCS(=O)(=O)NC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312025	0	48	0.0	-53.18	372.28	3.30	-49.88
CCS(=O)(=O)NC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312025	1	48	0.0	-67.92	372.10	2.79	-65.13
CC1=NN(C)C2=NC(C)=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C(C)=C12	REAL300005312026	0	58	0.0	-82.43	431.54	9.66	-72.77
CC1=NN(C)C2=NC(C)=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C(C)=C12	REAL300005312026	1	58	0.0	-75.95	428.64	9.71	-66.24
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312027	0	56	0.0	-81.67	430.20	10.86	-70.81
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312027	1	56	0.0	-74.25	426.58	11.05	-63.20
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=N1	REAL300005312028	0	54	0.0	-69.57	404.83	10.91	-58.66
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=N1	REAL300005312028	1	54	0.0	-69.74	405.19	10.83	-58.91
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=CN=C1	REAL300005312029	0	54	0.0	-66.13	407.01	10.19	-55.94
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CC=CN=C1	REAL300005312029	1	54	0.0	-73.42	406.68	10.24	-63.18
CCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312030	0	45	0.0	-73.33	353.73	2.47	-70.86
CCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312030	1	45	0.0	-69.20	355.81	2.39	-66.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNS(C)(=O)=O)C[C@H]2C1	REAL300005312031	0	45	0.0	-71.81	355.56	2.60	-69.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNS(C)(=O)=O)C[C@H]2C1	REAL300005312031	1	45	0.0	-78.24	355.51	2.26	-75.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)F)C=C3)C[C@H]2C1	REAL300005312032	0	44	0.0	-68.87	341.48	8.86	-60.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)F)C=C3)C[C@H]2C1	REAL300005312032	1	44	0.0	-70.51	335.98	8.59	-61.92
CC1CCN(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=N2)CC1	REAL300005312033	0	58	0.0	-55.10	421.39	9.24	-45.86
CC1CCN(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=N2)CC1	REAL300005312033	1	58	0.0	-67.96	418.90	9.11	-58.85
COC1=CC=C(CN2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=N2)C=C1	REAL300005312034	0	55	0.0	-57.93	424.82	8.95	-48.98
COC1=CC=C(CN2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=N2)C=C1	REAL300005312034	1	55	0.0	-72.40	422.88	8.96	-63.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCC4)N=C3)C[C@H]2C1	REAL300005312035	0	52	0.0	-65.14	380.86	7.87	-57.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCC4)N=C3)C[C@H]2C1	REAL300005312035	1	52	0.0	-62.33	382.64	7.83	-54.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)C[C@H]2C1	REAL300005312036	0	53	0.0	-75.17	389.42	3.64	-71.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)C[C@H]2C1	REAL300005312036	1	53	0.0	-73.29	391.00	3.75	-69.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCC4)N=N3)C[C@H]2C1	REAL300005312037	0	51	0.0	-67.62	379.63	7.24	-60.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCC4)N=N3)C[C@H]2C1	REAL300005312037	1	51	0.0	-65.57	381.17	7.09	-58.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CNC4=N3)C[C@H]2C1	REAL300005312039	0	44	0.0	-87.45	338.42	8.13	-79.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CNC4=N3)C[C@H]2C1	REAL300005312039	1	44	0.0	-83.18	336.60	7.86	-75.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)F)=NN3)C[C@H]2C1	REAL300005312040	0	41	0.0	-59.98	323.52	6.07	-53.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)F)=NN3)C[C@H]2C1	REAL300005312040	1	41	0.0	-71.48	324.35	5.71	-65.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C(F)F)=C3)C[C@H]2C1	REAL300005312040	1	41	0.0	-62.98	327.91	5.83	-57.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C(F)F)=C3)C[C@H]2C1	REAL300005312040	1	41	0.0	-69.78	324.37	5.60	-64.18
CN1C=NC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CN=C21	REAL300005312041	0	46	0.0	-61.43	355.57	8.55	-52.88
CN1C=NC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CN=C21	REAL300005312041	1	46	0.0	-68.16	354.78	8.47	-59.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(N4C=CC=N4)=C3)C[C@H]2C1	REAL300005312043	0	47	0.0	-73.16	364.21	8.47	-64.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(N4C=CC=N4)=C3)C[C@H]2C1	REAL300005312043	1	47	0.0	-69.51	362.77	8.50	-61.01
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N(C)CC1=CC=CC=C1	REAL300005312044	1	55	0.0	-48.84	397.13	8.25	-40.59
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N(C)CC1=CC=CC=C1	REAL300005312044	1	55	0.0	-69.66	401.00	8.29	-61.37
CC(C)CC1=CC=C([C@H](C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312045	0	59	0.0	-62.79	435.26	12.53	-50.26
CC(C)CC1=CC=C([C@H](C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312045	1	59	0.0	-66.05	429.59	12.01	-54.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(CC(F)(F)F)CC3)C[C@H]2C1	REAL300005312046	0	52	0.0	-59.83	380.23	6.57	-53.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(CC(F)(F)F)CC3)C[C@H]2C1	REAL300005312046	1	52	0.0	-69.66	386.36	7.05	-62.61
CCNC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312047	0	49	0.0	-68.18	380.20	8.41	-59.77
CCNC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312047	1	49	0.0	-64.42	381.72	8.35	-56.07
CNC1=CC(Cl)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312048	0	46	0.0	-63.91	357.62	7.59	-56.32
CNC1=CC(Cl)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312048	1	46	0.0	-59.24	358.48	7.56	-51.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(O)CCCC3)C[C@H]2C1	REAL300005312049	0	48	0.0	-60.90	346.63	6.82	-54.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(O)CCCC3)C[C@H]2C1	REAL300005312049	1	48	0.0	-64.61	347.38	6.37	-58.24
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C	REAL300005312050	0	43	0.0	-57.64	324.72	5.34	-52.30
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C	REAL300005312050	1	43	0.0	-68.38	324.40	5.20	-63.18
CC(C)CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312051	0	52	0.0	-67.50	391.74	7.80	-59.70
CC(C)CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312051	1	52	0.0	-65.54	393.50	7.66	-57.88
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CO4)S3)C[C@H]2C1	REAL300005312053	0	41	0.0	-53.35	325.44	7.35	-46.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CO4)S3)C[C@H]2C1	REAL300005312053	1	41	0.0	-61.67	324.92	7.54	-54.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCN(C4=CC=CC=N4)CC3)C[C@H]2C1	REAL300005312054	0	57	0.0	-65.17	418.81	7.15	-58.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCN(C4=CC=CC=N4)CC3)C[C@H]2C1	REAL300005312054	1	57	0.0	-69.23	419.99	6.75	-62.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005312055	0	48	0.0	-54.12	373.09	9.27	-44.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005312055	1	48	0.0	-69.15	369.33	8.99	-60.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CC=C4)N3)C[C@H]2C1	REAL300005312055	1	48	0.0	-62.99	368.73	9.33	-53.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CC=C4)N3)C[C@H]2C1	REAL300005312055	1	48	0.0	-74.47	369.11	9.00	-65.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005312057	0	48	0.0	-81.57	384.16	8.55	-73.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005312057	1	48	0.0	-70.18	380.63	8.41	-61.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005312058	0	48	0.0	-50.10	378.76	8.51	-41.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005312058	1	48	0.0	-54.73	379.98	8.51	-46.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CN=C4)S3)C[C@H]2C1	REAL300005312059	0	46	0.0	-55.06	370.85	7.10	-47.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CN=C4)S3)C[C@H]2C1	REAL300005312059	1	46	0.0	-64.31	369.81	7.02	-57.29
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)N(CCO)N=C3)C[C@H]2C1	REAL300005312061	0	55	0.0	-67.63	418.40	6.60	-61.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)N(CCO)N=C3)C[C@H]2C1	REAL300005312061	1	55	0.0	-68.34	414.23	6.40	-61.94
CCC(O)(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005312062	0	51	0.0	-77.44	389.62	7.77	-69.67
CCC(O)(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005312062	1	51	0.0	-64.18	387.53	7.80	-56.38
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC(Cl)=CC=C2N1	REAL300005312063	0	48	0.0	-68.72	387.24	9.43	-59.29
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC(Cl)=CC=C2N1	REAL300005312063	1	48	0.0	-64.13	387.47	9.32	-54.81
CCCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1CCCC1	REAL300005312064	0	60	0.0	-60.30	435.88	10.65	-49.65
CCCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1CCCC1	REAL300005312064	1	60	0.0	-68.10	432.73	10.45	-57.65
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1CCCC1	REAL300005312065	0	57	0.0	-60.34	414.37	9.87	-50.47
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1CCCC1	REAL300005312065	1	57	0.0	-68.07	411.23	9.67	-58.40
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4(O)CCOCC4)OC=C3)C[C@H]2C1	REAL300005312072	0	53	0.0	-73.36	384.34	5.78	-67.58
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CN1C=C(C(O)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312076	1	45	0.0	-75.16	337.95	4.13	-71.03
CN(C)CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312077	1	51	0.0	-53.75	382.44	5.82	-47.93
CN(C)CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312077	1	51	0.0	-61.95	380.71	5.75	-56.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3(C)CC3)C[C@H]2C1	REAL300005312078	0	51	0.0	-75.17	375.70	10.49	-64.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3(C)CC3)C[C@H]2C1	REAL300005312078	1	51	0.0	-63.82	377.99	10.47	-53.35
CCC(C)(C)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312079	0	56	0.0	-60.74	384.20	10.52	-50.22
CCC(C)(C)C1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312079	1	56	0.0	-65.86	380.97	10.34	-55.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4=CC=CN=C4)C=C3)C[C@H]2C1	REAL300005312080	0	54	0.0	-74.21	415.34	9.51	-64.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC4=CC=CN=C4)C=C3)C[C@H]2C1	REAL300005312080	1	54	0.0	-73.75	409.83	9.21	-64.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OCC3=CC=NC=C3)C[C@H]2C1	REAL300005312081	0	54	0.0	-72.70	416.45	10.36	-62.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OCC3=CC=NC=C3)C[C@H]2C1	REAL300005312081	1	54	0.0	-70.04	416.84	10.24	-59.80
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1CC1=CC=CC=N1	REAL300005312082	0	57	0.0	-69.34	428.19	10.70	-58.64
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1CC1=CC=CC=N1	REAL300005312082	1	57	0.0	-72.37	426.82	10.74	-61.63
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300005312083	0	50	0.0	-58.88	380.28	9.38	-49.50
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300005312083	1	50	0.0	-75.41	378.88	9.38	-66.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC=NC3=O)C[C@H]2C1	REAL300005312084	0	43	0.0	-67.16	337.60	5.51	-61.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC=NC3=O)C[C@H]2C1	REAL300005312084	1	43	0.0	-73.69	334.76	5.41	-68.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CN4CCOCC4)=C3)C[C@H]2C1	REAL300005312085	0	57	0.0	-79.73	418.83	7.06	-72.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CN4CCOCC4)=C3)C[C@H]2C1	REAL300005312085	1	57	0.0	-76.19	417.28	7.10	-69.09
CCN(C)C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312087	1	55	0.0	-77.14	393.23	7.95	-69.19
CCN(C)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312087	1	55	0.0	-63.29	396.43	8.82	-54.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=NNC=N4)=N3)C[C@H]2C1	REAL300005312088	0	46	0.0	-79.43	379.06	7.15	-72.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=NNC=N4)=N3)C[C@H]2C1	REAL300005312088	1	46	0.0	-82.67	378.23	7.08	-75.59
CN1CCOC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312089	0	47	0.0	-60.55	341.26	4.79	-55.76
CN1CCOC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312089	1	47	0.0	-60.23	343.97	4.64	-55.59
CCN1N=C(C)C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005312090	0	53	0.0	-79.71	399.51	8.67	-71.04
CCN1N=C(C)C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005312090	1	53	0.0	-72.85	396.73	8.75	-64.10
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300005312091	0	53	0.0	-56.67	413.58	7.05	-49.62
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300005312091	1	53	0.0	-71.35	412.16	6.84	-64.51
CCN(CC)C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312092	1	58	0.0	-61.45	406.54	9.24	-52.21
CCN(CC)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312092	1	58	0.0	-66.28	413.99	9.01	-57.27
CC(C)COC1=NC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312093	0	53	0.0	-84.08	399.52	8.06	-76.02
CC(C)COC1=NC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312093	1	53	0.0	-68.25	397.44	7.68	-60.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCCNC4=N3)C[C@H]2C1	REAL300005312094	0	46	0.0	-57.80	348.38	7.80	-50.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCCNC4=N3)C[C@H]2C1	REAL300005312094	1	46	0.0	-75.68	346.96	7.76	-67.92
CSCCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312095	0	47	0.0	-62.53	364.75	9.27	-53.26
CSCCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312095	1	47	0.0	-68.84	364.70	8.91	-59.93
CSC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312096	0	48	0.0	-66.12	364.20	9.99	-56.13
CSC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312096	1	48	0.0	-71.81	378.44	9.92	-61.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(Cl)C=N3)C[C@H]2C1	REAL300005312097	0	41	0.0	-83.65	335.20	7.00	-76.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(Cl)C=N3)C[C@H]2C1	REAL300005312097	1	41	0.0	-77.41	336.27	6.97	-70.44
COC1=CC=CC(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)=C1	REAL300005312098	0	52	0.0	-55.02	382.82	9.17	-45.85
COC1=CC=CC(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)=C1	REAL300005312098	1	52	0.0	-76.15	392.05	9.24	-66.91
CN(C)S(=O)(=O)NCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312099	0	47	0.0	-70.55	366.97	1.99	-68.56
CN(C)S(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312099	1	47	0.0	-69.52	365.87	1.74	-67.78
CC1=CC=NN1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312100	0	44	0.0	-82.75	338.58	6.94	-75.81
CC1=CC=NN1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312100	1	44	0.0	-74.99	339.78	6.87	-68.12
CC(C)C1=NC=CN1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312101	0	50	0.0	-72.09	379.92	9.26	-62.83
CC(C)C1=NC=CN1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312101	1	50	0.0	-71.89	376.84	9.02	-62.87
CCC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005312102	0	43	0.0	-56.78	332.38	5.14	-51.64
CCC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005312102	1	43	0.0	-66.36	332.68	5.02	-61.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4CC4)=N3)C[C@H]2C1	REAL300005312103	0	44	0.0	-58.90	340.44	5.97	-52.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4CC4)=N3)C[C@H]2C1	REAL300005312103	1	44	0.0	-58.06	341.31	6.03	-52.03
CNC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005312104	0	42	0.0	-58.12	334.50	5.89	-52.23
CNC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005312104	1	42	0.0	-66.65	334.92	5.76	-60.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CC4)NC3=O)C[C@H]2C1	REAL300005312105	0	47	0.0	-75.02	367.54	6.59	-68.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CC4)NC3=O)C[C@H]2C1	REAL300005312105	1	47	0.0	-68.05	369.38	6.56	-61.49
CN(C)C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005312106	0	52	0.0	-63.37	405.06	8.55	-54.82
CN(C)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005312106	1	52	0.0	-66.23	398.51	8.42	-57.81
CCN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300005312107	0	54	0.0	-67.44	406.07	9.97	-57.47
CCN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300005312107	1	54	0.0	-69.36	406.86	9.83	-59.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(COC(C)(C)C)=C3)C[C@H]2C1	REAL300005312108	0	53	0.0	-57.28	398.59	7.79	-49.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(COC(C)(C)C)=C3)C[C@H]2C1	REAL300005312108	1	53	0.0	-65.84	397.42	7.61	-58.23
CC=CCOC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312109	0	55	0.0	-66.64	424.42	10.76	-55.88
CC=CCOC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312109	1	55	0.0	-72.32	424.09	10.69	-61.63
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1CCC(C)C	REAL300005312110	0	56	0.0	-64.03	410.78	9.16	-54.87
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1CCC(C)C	REAL300005312110	1	56	0.0	-67.15	410.20	9.03	-58.12
CC(C)CC1=CC=CC(C(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312111	0	59	0.0	-71.15	434.82	12.18	-58.97
CC(C)CC1=CC=CC(C(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312111	1	59	0.0	-65.60	426.99	12.09	-53.51
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312112	0	51	0.0	-62.54	393.88	9.81	-52.73
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312112	1	51	0.0	-73.39	392.81	9.72	-63.67
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC(F)F)=C1	REAL300005312113	0	49	0.0	-57.94	379.34	7.95	-49.99
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC(F)F)=C1	REAL300005312113	1	49	0.0	-64.19	378.38	7.84	-56.35
COCCOC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312114	0	55	0.0	-69.22	423.44	8.58	-60.64
COCCOC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312114	1	55	0.0	-72.20	419.18	8.67	-63.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(F)F)C(F)=C3)C[C@H]2C1	REAL300005312115	0	45	0.0	-61.58	352.51	7.57	-54.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(F)F)C(F)=C3)C[C@H]2C1	REAL300005312115	1	45	0.0	-71.48	353.63	7.64	-63.84
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=C(F)C=C1	REAL300005312116	0	51	0.0	-72.84	395.39	10.23	-62.61
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=C(F)C=C1	REAL300005312116	1	51	0.0	-59.23	397.01	10.23	-49.00
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005312117	0	57	0.0	-60.23	425.72	11.23	-49.00
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005312117	1	57	0.0	-69.91	424.40	11.02	-58.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CCC4=CC=CC=C4)N=N3)C[C@H]2C1	REAL300005312118	0	53	0.0	-68.37	412.59	9.54	-58.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CCC4=CC=CC=C4)N=N3)C[C@H]2C1	REAL300005312118	1	53	0.0	-66.39	414.34	9.40	-56.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=C4CCCC4=C3)C[C@H]2C1	REAL300005312120	0	58	0.0	-77.97	433.70	11.37	-66.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=C4CCCC4=C3)C[C@H]2C1	REAL300005312120	1	58	0.0	-73.61	433.88	11.42	-62.19
CC1=NN(CC(F)F)C(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312121	0	50	0.0	-77.02	394.82	8.22	-68.80
CC1=NN(CC(F)F)C(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312121	1	50	0.0	-71.19	395.35	8.14	-63.05
CN1C=C(CNC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)C=N1	REAL300005312122	0	56	0.0	-74.66	428.36	8.41	-66.25
CN1C=C(CNC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)C=N1	REAL300005312122	1	56	0.0	-74.09	422.85	8.12	-65.97
CC1=NN(C(C)C)C(C)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312123	0	56	0.0	-71.42	421.16	9.44	-61.98
CC1=NN(C(C)C)C(C)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312123	1	56	0.0	-72.68	417.34	9.46	-63.22
CCSCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005312124	0	47	0.0	-68.42	375.75	8.79	-59.63
CCSCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005312124	1	47	0.0	-65.08	377.32	8.63	-56.45
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300005312125	0	50	0.0	-64.73	350.22	8.92	-55.81
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300005312125	1	50	0.0	-64.83	353.59	8.85	-55.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC=C3N3C=CC=N3)C[C@H]2C1	REAL300005312126	0	48	0.0	-79.13	372.33	9.73	-69.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC=C3N3C=CC=N3)C[C@H]2C1	REAL300005312126	1	48	0.0	-70.28	372.77	9.71	-60.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C(C)(C)C)C[C@H]2C1	REAL300005312128	0	50	0.0	-71.68	365.99	6.81	-64.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C(C)(C)C)C[C@H]2C1	REAL300005312128	1	50	0.0	-71.74	357.85	6.88	-64.86
CCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCOC(CC)C1	REAL300005312129	0	59	0.0	-65.40	410.63	6.44	-58.96
CCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCOC(CC)C1	REAL300005312129	1	59	0.0	-67.58	414.63	6.92	-60.66
CCN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1Cl	REAL300005312130	0	55	0.0	-62.39	409.24	8.92	-53.47
CCN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1Cl	REAL300005312130	1	55	0.0	-65.60	408.58	8.88	-56.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCN(CC(F)(F)F)CC3)C[C@H]2C1	REAL300005312131	0	55	0.0	-65.31	401.30	7.93	-57.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCN(CC(F)(F)F)CC3)C[C@H]2C1	REAL300005312131	1	55	0.0	-71.01	401.23	7.60	-63.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(CC(F)F)C3)C[C@H]2C1	REAL300005312132	0	52	0.0	-61.60	383.86	7.17	-54.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(CC(F)F)C3)C[C@H]2C1	REAL300005312132	1	52	0.0	-74.87	378.72	6.98	-67.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C3NN=N4)C[C@H]2C1	REAL300005312134	0	47	0.0	-59.14	348.45	5.78	-53.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C3NN=N4)C[C@H]2C1	REAL300005312134	1	47	0.0	-75.33	350.15	5.72	-69.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=NC=CN3)C3=CC=CC=C3)C[C@H]2C1	REAL300005312135	0	54	0.0	-69.68	407.65	10.28	-59.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=NC=CN3)C3=CC=CC=C3)C[C@H]2C1	REAL300005312135	1	54	0.0	-72.06	406.96	10.23	-61.83
CC1=NC=CC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312136	0	46	0.0	-69.24	347.59	7.77	-61.47
CC1=NC=CC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312136	1	46	0.0	-68.41	349.63	7.69	-60.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=CC(O)=CC=C34)C[C@H]2C1	REAL300005312137	0	45	0.0	-81.71	350.49	5.64	-76.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=CC(O)=CC=C34)C[C@H]2C1	REAL300005312137	1	45	0.0	-77.18	346.70	5.55	-71.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]2C1	REAL300005312138	0	55	0.0	-68.10	362.26	8.61	-59.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]2C1	REAL300005312138	1	55	0.0	-66.90	362.36	8.58	-58.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005312139	0	50	0.0	-64.15	376.48	9.56	-54.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005312139	1	50	0.0	-68.54	376.67	9.46	-59.08
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=NC2=CC=CC=C2S1	REAL300005312140	0	51	0.0	-73.45	403.24	10.15	-63.30
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=NC2=CC=CC=C2S1	REAL300005312140	1	51	0.0	-77.48	403.12	10.02	-67.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC4=NC=CC=N4)=C3)C[C@H]2C1	REAL300005312141	0	51	0.0	-71.39	390.77	10.44	-60.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC4=NC=CC=N4)=C3)C[C@H]2C1	REAL300005312141	1	51	0.0	-81.59	389.80	10.56	-71.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H](O)CC3=CC=CC=C3)C[C@H]2C1	REAL300005312143	0	48	0.0	-47.53	366.10	7.58	-39.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H](O)CC3=CC=CC=C3)C[C@H]2C1	REAL300005312143	1	48	0.0	-59.39	364.91	7.55	-51.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H](O)C3=CC=CC=C3)C[C@H]2C1	REAL300005312144	0	45	0.0	-56.83	340.72	6.83	-50.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H](O)C3=CC=CC=C3)C[C@H]2C1	REAL300005312144	1	45	0.0	-63.85	339.52	6.77	-57.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005312145	0	48	0.0	-52.87	379.02	7.80	-45.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005312145	1	48	0.0	-64.75	374.53	7.63	-57.12
COC1=CC(C)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312146	0	48	0.0	-72.10	358.68	8.95	-63.15
COC1=CC(C)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312146	1	48	0.0	-55.74	355.67	9.14	-46.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(O)=C3)C[C@H]2C1	REAL300005312147	0	41	0.0	-63.69	312.39	3.66	-60.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(O)=C3)C[C@H]2C1	REAL300005312147	1	41	0.0	-69.60	313.32	3.20	-66.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H](O)C3=CC=CC=C3)C[C@H]2C1	REAL300005312148	0	45	0.0	-60.86	339.96	6.82	-54.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H](O)C3=CC=CC=C3)C[C@H]2C1	REAL300005312148	1	45	0.0	-66.34	335.51	6.64	-59.70
CC1=CC=C(F)C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312149	0	47	0.0	-78.50	363.33	9.76	-68.74
CC1=CC=C(F)C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312149	1	47	0.0	-73.83	364.92	9.72	-64.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(O)=CC=C3Cl)C[C@H]2C1	REAL300005312150	0	42	0.0	-77.67	335.52	5.64	-72.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(O)=CC=C3Cl)C[C@H]2C1	REAL300005312150	1	42	0.0	-74.37	335.21	5.71	-68.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CN=C3)C[C@H]2C1	REAL300005312152	0	44	0.0	-67.58	334.36	4.98	-62.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CN=C3)C[C@H]2C1	REAL300005312152	1	44	0.0	-65.15	334.70	4.95	-60.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CN3CCOCC3)C[C@H]2C1	REAL300005312153	0	57	0.0	-64.95	418.96	7.23	-57.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CN3CCOCC3)C[C@H]2C1	REAL300005312153	1	57	0.0	-66.36	416.93	8.08	-58.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=CC=NN43)C[C@H]2C1	REAL300005312154	0	44	0.0	-71.45	334.66	8.09	-63.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=CC=NN43)C[C@H]2C1	REAL300005312154	1	44	0.0	-83.99	335.12	7.76	-76.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=CC(=O)N4N=C3)C[C@H]2C1	REAL300005312155	0	44	0.0	-76.14	339.38	5.85	-70.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=CC(=O)N4N=C3)C[C@H]2C1	REAL300005312155	1	44	0.0	-76.13	336.09	5.65	-70.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4C=CC=NN34)C[C@H]2C1	REAL300005312156	0	43	0.0	-74.81	330.18	6.59	-68.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4C=CC=NN34)C[C@H]2C1	REAL300005312156	1	43	0.0	-77.94	328.24	6.47	-71.47
CC1=CC(C(F)(F)F)=NN1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312157	0	47	0.0	-84.48	379.96	7.91	-76.57
CC1=CC(C(F)(F)F)=NN1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312157	1	47	0.0	-77.15	381.14	7.87	-69.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OCC(F)(F)F)=C3)C[C@H]2C1	REAL300005312158	0	48	0.0	-86.06	379.54	8.64	-77.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OCC(F)(F)F)=C3)C[C@H]2C1	REAL300005312158	1	48	0.0	-81.08	379.33	8.71	-72.37
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CNC2=CC=CC=C12	REAL300005312159	0	54	0.0	-70.15	405.11	10.47	-59.68
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CNC2=CC=CC=C12	REAL300005312159	1	54	0.0	-65.09	407.28	10.41	-54.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC(O)=C4)=C3)C[C@H]2C1	REAL300005312160	0	48	0.0	-58.72	377.78	6.70	-52.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=CC(O)=C4)=C3)C[C@H]2C1	REAL300005312160	1	48	0.0	-68.06	376.60	6.50	-61.56
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312161	0	61	0.0	-60.78	440.32	10.58	-50.20
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312161	1	61	0.0	-66.58	440.54	10.48	-56.10
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312162	0	61	0.0	-69.16	433.72	10.28	-58.88
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312162	1	61	0.0	-60.96	437.10	10.40	-50.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(OCC4=CC=CC=C4)C3)C[C@H]2C1	REAL300005312163	0	55	0.0	-62.98	419.17	10.69	-52.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(OCC4=CC=CC=C4)C3)C[C@H]2C1	REAL300005312163	1	55	0.0	-71.60	418.34	10.38	-61.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3CC3=CC=CC=C3)C[C@H]2C1	REAL300005312164	1	59	0.0	-75.88	427.66	9.81	-66.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3CC3=CC=CC=C3)C[C@H]2C1	REAL300005312164	1	59	0.0	-67.18	429.77	9.76	-57.42
CC(OC1=CC=CC(CO)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312165	0	52	0.0	-70.86	392.11	7.07	-63.79
CC(OC1=CC=CC(CO)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312165	1	52	0.0	-72.26	392.17	6.60	-65.66
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=NC=C1	REAL300005312166	0	50	0.0	-64.64	380.53	7.88	-56.76
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=NC=C1	REAL300005312166	1	50	0.0	-69.33	380.88	7.79	-61.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C3C3=CC=CC=C3F)C[C@H]2C1	REAL300005312167	0	49	0.0	-85.13	379.77	9.64	-75.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C3C3=CC=CC=C3F)C[C@H]2C1	REAL300005312167	1	49	0.0	-74.80	376.07	9.39	-65.41
CN1C=C(C2=NNC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312168	0	48	0.0	-87.98	371.87	5.81	-82.17
CN1C=C(C2=NNC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312168	1	48	0.0	-84.30	370.30	5.84	-78.46
CN1C=C(C2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NN2)C=N1	REAL300005312168	1	48	0.0	-70.15	368.20	5.73	-64.42
CN1C=C(C2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NN2)C=N1	REAL300005312168	1	48	0.0	-74.86	366.88	5.73	-69.13
CCN1C=C(C2=NNC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312169	0	51	0.0	-62.83	391.44	6.75	-56.08
CCN1C=C(C2=NNC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312169	1	51	0.0	-84.19	391.78	6.72	-77.47
CCN1C=C(C2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NN2)C=N1	REAL300005312169	1	51	0.0	-68.25	388.69	6.58	-61.67
CCN1C=C(C2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NN2)C=N1	REAL300005312169	1	51	0.0	-76.83	389.39	6.59	-70.24
CN1C=C(C2=NN(C)C=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312170	0	51	0.0	-68.77	390.42	7.14	-61.63
CN1C=C(C2=NN(C)C=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312170	1	51	0.0	-77.47	390.26	7.01	-70.46
CCN1C=C(C2=NN(C)C=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312171	0	54	0.0	-89.25	412.06	7.99	-81.26
CCN1C=C(C2=NN(C)C=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312171	1	54	0.0	-77.41	411.85	7.89	-69.52
CCN1C=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312172	0	47	0.0	-70.79	362.22	7.78	-63.01
CCN1C=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312172	1	47	0.0	-71.82	358.56	7.86	-63.96
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CN(C)C2=CC=CC=C12	REAL300005312173	0	54	0.0	-78.89	403.96	11.08	-67.81
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CN(C)C2=CC=CC=C12	REAL300005312173	1	54	0.0	-67.92	411.01	11.26	-56.66
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC(C2=CC(C)=CC=C2)=N1	REAL300005312175	0	54	0.0	-56.10	409.73	10.24	-45.86
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC(C2=CC(C)=CC=C2)=N1	REAL300005312175	1	54	0.0	-73.99	408.68	10.27	-63.72
CC1=NC2=CC=CC=C2N1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312176	0	50	0.0	-83.10	384.79	9.89	-73.21
CC1=NC2=CC=CC=C2N1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312176	1	50	0.0	-75.38	382.01	9.96	-65.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4OC(F)(F)OC4=C3)C[C@H]2C1	REAL300005312177	0	47	0.0	-69.44	377.48	8.23	-61.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4OC(F)(F)OC4=C3)C[C@H]2C1	REAL300005312177	1	47	0.0	-67.38	373.66	8.25	-59.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(S(N)(=O)=O)C3)C[C@H]2C1	REAL300005312178	0	51	0.0	-61.58	380.12	2.25	-59.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(S(N)(=O)=O)C3)C[C@H]2C1	REAL300005312178	1	51	0.0	-73.26	382.57	2.00	-71.26
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312179	0	55	0.0	-62.36	408.72	5.08	-57.28
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312179	1	55	0.0	-65.95	409.26	4.93	-61.02
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1OCCC2=C1C=CS2	REAL300005312180	0	52	0.0	-70.26	394.53	10.39	-59.87
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1OCCC2=C1C=CS2	REAL300005312180	1	52	0.0	-66.51	389.93	9.77	-56.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC(N)=NC(N4CCOCC4)=N3)C[C@H]2C1	REAL300005312181	0	53	0.0	-56.47	401.75	7.46	-49.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC(N)=NC(N4CCOCC4)=N3)C[C@H]2C1	REAL300005312181	1	53	0.0	-71.83	400.72	7.49	-64.34
CC1=CN2C=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=N1	REAL300005312182	0	47	0.0	-65.36	366.11	9.45	-55.91
CC1=CN2C=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=N1	REAL300005312182	1	47	0.0	-76.17	366.24	9.33	-66.84
CCN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312183	0	43	0.0	-58.41	332.46	5.52	-52.89
CCN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312183	1	43	0.0	-66.16	332.88	5.40	-60.76
CNC1=CC=C(Cl)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312184	0	46	0.0	-78.86	359.47	7.29	-71.57
CNC1=CC=C(Cl)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312184	1	46	0.0	-63.74	361.13	7.26	-56.48
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(CO)=NO1	REAL300005312185	0	44	0.0	-65.73	348.00	3.90	-61.83
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(CO)=NO1	REAL300005312185	1	44	0.0	-64.03	348.47	3.80	-60.23
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CN1C	REAL300005312186	0	48	0.0	-79.33	352.73	8.82	-70.51
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CN1C	REAL300005312186	1	48	0.0	-69.67	354.57	8.75	-60.92
CN1C=C(C2=NC=CC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312187	0	50	0.0	-73.29	386.30	7.49	-65.80
CN1C=C(C2=NC=CC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312187	1	50	0.0	-82.24	381.93	7.25	-74.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(CN4CCCC4)=C3)C[C@H]2C1	REAL300005312188	0	52	0.0	-68.36	389.80	6.59	-61.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(CN4CCCC4)=C3)C[C@H]2C1	REAL300005312188	1	52	0.0	-66.32	390.30	6.59	-59.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCSCC3)C[C@H]2C1	REAL300005312190	0	46	0.0	-68.78	341.83	7.80	-60.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCSCC3)C[C@H]2C1	REAL300005312190	1	46	0.0	-73.59	343.39	7.54	-66.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CC(C)(C)C)C[C@H]2C1	REAL300005312191	0	56	0.0	-69.44	397.59	10.95	-58.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3CC(C)(C)C)C[C@H]2C1	REAL300005312191	1	56	0.0	-66.56	392.63	11.01	-55.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C5OCOC5=C4)CC3)C[C@H]2C1	REAL300005312192	0	51	0.0	-62.04	385.06	8.55	-53.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C5OCOC5=C4)CC3)C[C@H]2C1	REAL300005312192	1	51	0.0	-64.34	385.84	8.82	-55.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]34C[C@H]3COC43CCC3)C[C@H]2C1	REAL300005312193	0	50	0.0	-58.24	365.48	7.72	-50.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]34C[C@H]3COC43CCC3)C[C@H]2C1	REAL300005312193	1	50	0.0	-62.03	363.42	7.65	-54.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCC4(CC3)OCCO4)C[C@H]2C1	REAL300005312194	0	56	0.0	-62.58	388.27	7.28	-55.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCC4(CC3)OCCO4)C[C@H]2C1	REAL300005312194	1	56	0.0	-68.54	383.36	7.38	-61.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C3C(=O)CCC4)C[C@H]2C1	REAL300005312195	0	47	0.0	-95.56	356.79	8.75	-86.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C3C(=O)CCC4)C[C@H]2C1	REAL300005312195	1	47	0.0	-88.70	352.55	9.30	-79.40
CC(C)CC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312196	0	57	0.0	-65.32	425.79	12.26	-53.06
CC(C)CC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312196	1	57	0.0	-64.51	427.93	12.19	-52.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(NS(C)(=O)=O)=C3)C[C@H]2C1	REAL300005312197	0	52	0.0	-73.50	411.85	5.82	-67.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(NS(C)(=O)=O)=C3)C[C@H]2C1	REAL300005312197	1	52	0.0	-73.51	407.58	5.91	-67.60
CC1=NC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)S1	REAL300005312198	0	46	0.0	-61.22	364.11	7.45	-53.77
CC1=NC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)S1	REAL300005312198	1	46	0.0	-68.34	364.46	7.42	-60.92
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(=O)N1	REAL300005312199	0	44	0.0	-67.89	343.65	5.81	-62.08
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(=O)N1	REAL300005312199	1	44	0.0	-78.78	344.10	5.67	-73.11
COC1=CC=C(C2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=CO2)C=C1	REAL300005312200	0	51	0.0	-62.04	393.10	6.73	-55.31
COC1=CC=C(C2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=CO2)C=C1	REAL300005312200	1	51	0.0	-66.74	395.21	6.77	-59.97
CNC1=NC(C)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312201	0	48	0.0	-78.80	358.83	7.04	-71.76
CNC1=NC(C)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312201	1	48	0.0	-65.92	358.30	6.87	-59.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(CC3)C4)C[C@H]2C1	REAL300005312202	0	48	0.0	-75.04	337.71	8.57	-66.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(CC3)C4)C[C@H]2C1	REAL300005312202	1	48	0.0	-70.50	337.28	8.58	-61.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CN(CC4=CC=CC=C4)CCO3)C[C@H]2C1	REAL300005312203	0	57	0.0	-53.60	418.59	8.35	-45.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CN(CC4=CC=CC=C4)CCO3)C[C@H]2C1	REAL300005312203	1	57	0.0	-68.42	421.04	8.33	-60.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C3=CC=CC=C3)C[C@H]2C1	REAL300005312204	0	48	0.0	-73.13	366.01	9.12	-64.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C3=CC=CC=C3)C[C@H]2C1	REAL300005312204	1	48	0.0	-75.07	363.86	9.01	-66.06
COC1=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1O	REAL300005312205	0	53	0.0	-72.15	407.93	6.09	-66.06
COC1=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(OC)=C1O	REAL300005312205	1	53	0.0	-72.86	403.53	6.15	-66.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CCC3)C[C@H]2C1	REAL300005312206	0	44	0.0	-66.94	329.27	7.65	-59.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CCC3)C[C@H]2C1	REAL300005312206	1	44	0.0	-68.45	325.67	7.77	-60.68
COCCS(=O)(=O)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312207	0	47	0.0	-80.09	373.68	3.46	-76.63
COCCS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312207	1	47	0.0	-84.16	373.64	3.11	-81.05
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OCCO	REAL300005312208	0	53	0.0	-68.95	398.25	5.31	-63.64
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OCCO	REAL300005312208	1	53	0.0	-74.35	399.18	4.85	-69.50
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=C2NC=NC2=NC=N1	REAL300005312209	0	50	0.0	-69.94	377.33	7.89	-62.05
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=C2NC=NC2=NC=N1	REAL300005312209	1	50	0.0	-72.66	379.39	7.81	-64.85
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=C2N=CNC2=NC=N1	REAL300005312209	1	50	0.0	-63.56	381.64	8.04	-55.52
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=C2N=CNC2=NC=N1	REAL300005312209	1	50	0.0	-72.07	380.94	7.97	-64.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=CC=N3)C[C@H]2C1	REAL300005312210	0	49	0.0	-80.18	373.88	8.88	-71.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=CC=N3)C[C@H]2C1	REAL300005312210	1	49	0.0	-73.85	375.21	8.83	-65.02
CC(C)NC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312211	0	51	0.0	-54.36	380.99	7.27	-47.09
CC(C)NC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312211	1	51	0.0	-69.21	377.71	7.21	-62.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCC4)C(F)=C3)C[C@H]2C1	REAL300005312212	0	53	0.0	-68.19	387.41	8.30	-59.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCCC4)C(F)=C3)C[C@H]2C1	REAL300005312212	1	53	0.0	-69.19	388.50	8.38	-60.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCOCC4)C(F)=C3)C[C@H]2C1	REAL300005312213	0	54	0.0	-59.95	400.95	7.04	-52.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCOCC4)C(F)=C3)C[C@H]2C1	REAL300005312213	1	54	0.0	-76.31	402.06	7.12	-69.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC=C3N3CCOCC3)C[C@H]2C1	REAL300005312214	0	54	0.0	-61.62	404.25	7.77	-53.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC=C3N3CCOCC3)C[C@H]2C1	REAL300005312214	1	54	0.0	-62.26	398.32	7.92	-54.34
COC1=CC=CC(C(O)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312215	0	49	0.0	-53.53	365.48	6.05	-47.48
COC1=CC=CC(C(O)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312215	1	49	0.0	-67.21	363.20	5.83	-61.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=C(F)C=C4)CC3)C[C@H]2C1	REAL300005312216	0	51	0.0	-67.58	392.72	11.31	-56.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=C(F)C=C4)CC3)C[C@H]2C1	REAL300005312216	1	51	0.0	-68.85	389.84	10.99	-57.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CO)CCOCC3)C[C@H]2C1	REAL300005312217	0	49	0.0	-64.66	344.46	2.88	-61.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CO)CCOCC3)C[C@H]2C1	REAL300005312217	1	49	0.0	-70.01	342.55	2.75	-67.26
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005312218	0	46	0.0	-61.01	352.81	7.22	-53.79
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005312218	1	46	0.0	-66.29	353.23	7.08	-59.21
COCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005312219	0	44	0.0	-66.36	343.63	4.70	-61.66
COCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005312219	1	44	0.0	-56.26	344.00	4.75	-51.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCCCC3)C[C@H]2C1	REAL300005312220	0	56	0.0	-49.82	375.38	9.63	-40.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCCCC3)C[C@H]2C1	REAL300005312220	1	56	0.0	-59.71	375.24	9.55	-50.16
COCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005312221	0	51	0.0	-66.51	360.65	7.47	-59.04
COCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005312221	1	51	0.0	-73.22	361.57	7.15	-66.07
COCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005312222	0	52	0.0	-76.64	366.24	5.23	-71.41
COCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005312222	1	52	0.0	-66.90	365.46	5.17	-61.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=NNN=C4C=C3)C[C@H]2C1	REAL300005312223	0	42	0.0	-57.00	324.74	5.43	-51.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=NNN=C4C=C3)C[C@H]2C1	REAL300005312223	1	42	0.0	-62.52	326.67	5.42	-57.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCCC4=C3)C[C@H]2C1	REAL300005312224	0	45	0.0	-63.86	337.54	7.17	-56.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCCC4=C3)C[C@H]2C1	REAL300005312224	1	45	0.0	-71.21	339.88	7.08	-64.13
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005312225	0	43	0.0	-63.77	332.63	6.44	-57.33
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005312225	1	43	0.0	-53.25	331.83	6.43	-46.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005312226	0	50	0.0	-73.74	393.49	11.08	-62.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005312226	1	50	0.0	-67.40	394.77	11.02	-56.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C(C)(C)C)N=N3)C[C@H]2C1	REAL300005312227	0	49	0.0	-54.42	371.31	6.81	-47.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C(C)(C)C)N=N3)C[C@H]2C1	REAL300005312227	1	49	0.0	-65.90	371.54	6.70	-59.20
CC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312228	0	43	0.0	-72.89	339.84	7.10	-65.79
CC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312228	1	43	0.0	-61.55	335.75	7.20	-54.35
CC1=CN2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC2=C1	REAL300005312229	0	48	0.0	-58.63	371.87	10.62	-48.01
CC1=CN2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC2=C1	REAL300005312229	1	48	0.0	-65.68	371.85	10.50	-55.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3=CNN=C3)C[C@H]2C1	REAL300005312230	0	48	0.0	-81.38	367.21	7.94	-73.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3=CNN=C3)C[C@H]2C1	REAL300005312230	1	48	0.0	-78.09	368.66	7.92	-70.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CNC=N3)C[C@H]2C1	REAL300005312231	0	44	0.0	-73.39	337.51	7.41	-65.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CNC=N3)C[C@H]2C1	REAL300005312231	1	44	0.0	-70.51	337.69	7.46	-63.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN=CN3)C[C@H]2C1	REAL300005312231	1	44	0.0	-63.22	337.86	7.78	-55.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN=CN3)C[C@H]2C1	REAL300005312231	1	44	0.0	-69.58	337.75	7.43	-62.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC3CC3)C[C@H]2C1	REAL300005312232	0	49	0.0	-64.41	370.64	9.76	-54.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3OC3CC3)C[C@H]2C1	REAL300005312232	1	49	0.0	-70.18	367.29	9.59	-60.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OC(F)F)=C3)C[C@H]2C1	REAL300005312233	0	44	0.0	-81.11	347.61	5.41	-75.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OC(F)F)=C3)C[C@H]2C1	REAL300005312233	1	44	0.0	-68.62	345.81	5.29	-63.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=CN=C4S3)C[C@H]2C1	REAL300005312235	0	42	0.0	-71.33	336.08	5.46	-65.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=CN=C4S3)C[C@H]2C1	REAL300005312235	1	42	0.0	-71.15	336.83	5.52	-65.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC(F)(F)F)N=C3)C[C@H]2C1	REAL300005312236	0	44	0.0	-66.52	350.38	7.14	-59.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC(F)(F)F)N=C3)C[C@H]2C1	REAL300005312236	1	44	0.0	-71.69	351.14	7.13	-64.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=NC=CN4N=C3)C[C@H]2C1	REAL300005312237	0	43	0.0	-69.53	330.32	5.91	-63.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=NC=CN4N=C3)C[C@H]2C1	REAL300005312237	1	43	0.0	-63.10	330.30	5.87	-57.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCOC4=C3)C[C@H]2C1	REAL300005312238	0	43	0.0	-60.39	330.33	4.30	-56.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCOC4=C3)C[C@H]2C1	REAL300005312238	1	43	0.0	-72.17	329.50	4.31	-67.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NNN=C4N=C3)C[C@H]2C1	REAL300005312239	0	42	0.0	-56.01	325.14	4.46	-51.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NNN=C4N=C3)C[C@H]2C1	REAL300005312239	1	42	0.0	-63.49	324.01	4.46	-59.03
CCC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312240	0	46	0.0	-65.07	345.78	8.43	-56.64
CCC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312240	1	46	0.0	-68.53	348.26	8.51	-60.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=NN4N=C3)C[C@H]2C1	REAL300005312241	0	43	0.0	-59.60	334.40	6.08	-53.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=NN4N=C3)C[C@H]2C1	REAL300005312241	1	43	0.0	-68.15	333.13	6.00	-62.15
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC(F)=CC=C21	REAL300005312242	0	48	0.0	-63.80	373.53	9.83	-53.97
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC(F)=CC=C21	REAL300005312242	1	48	0.0	-87.04	370.23	9.81	-77.23
COC1=CC=C2CCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005312243	0	52	0.0	-68.50	383.86	9.52	-58.98
COC1=CC=C2CCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005312243	1	52	0.0	-73.76	389.92	9.28	-64.48
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)F)=N1	REAL300005312244	0	44	0.0	-74.72	341.78	6.61	-68.11
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)F)=N1	REAL300005312244	1	44	0.0	-75.75	342.21	6.48	-69.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4CCCCC4)=N3)C[C@H]2C1	REAL300005312245	0	53	0.0	-53.11	402.31	9.78	-43.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4CCCCC4)=N3)C[C@H]2C1	REAL300005312245	1	53	0.0	-58.01	400.70	9.76	-48.25
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2CCCCC2)=N1	REAL300005312246	0	56	0.0	-57.80	416.60	10.21	-47.59
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2CCCCC2)=N1	REAL300005312246	1	56	0.0	-66.11	417.66	9.74	-56.37
COC1=CC=C2ON=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005312247	0	50	0.0	-74.89	388.68	7.71	-67.18
COC1=CC=C2ON=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005312247	1	50	0.0	-78.84	391.89	7.66	-71.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005312248	0	48	0.0	-75.13	382.78	8.16	-66.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005312248	1	48	0.0	-72.07	382.00	8.16	-63.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C)(C)OC4=CC=CC=C43)C[C@H]2C1	REAL300005312249	0	55	0.0	-74.10	401.69	9.79	-64.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C)(C)OC4=CC=CC=C43)C[C@H]2C1	REAL300005312249	1	55	0.0	-71.77	402.96	9.75	-62.02
COCCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312250	0	47	0.0	-55.43	366.17	4.78	-50.65
COCCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312250	1	47	0.0	-65.97	366.60	4.67	-61.30
CCC(C)(C)OCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312251	0	50	0.0	-68.26	361.46	8.27	-59.99
CCC(C)(C)OCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312251	1	50	0.0	-67.77	363.48	8.19	-59.58
COC1=CC=CC(N2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)=C1	REAL300005312252	0	51	0.0	-56.16	396.70	7.54	-48.62
COC1=CC=CC(N2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)=C1	REAL300005312252	1	51	0.0	-67.99	397.12	7.43	-60.56
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300005312253	0	53	0.0	-64.01	400.55	11.74	-52.27
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300005312253	1	53	0.0	-68.34	395.21	11.81	-56.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C4OCOC4=C3)C[C@H]2C1	REAL300005312254	0	53	0.0	-67.82	379.53	8.51	-59.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C4OCOC4=C3)C[C@H]2C1	REAL300005312254	1	53	0.0	-65.77	385.67	8.44	-57.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005312255	0	48	0.0	-58.32	373.56	7.18	-51.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005312255	1	48	0.0	-61.95	372.22	7.08	-54.87
CNC1=NC=NC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005312256	0	50	0.0	-59.83	381.30	8.25	-51.58
CNC1=NC=NC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005312256	1	50	0.0	-69.84	381.50	8.14	-61.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NCC4=CSC=C4)C=C3)C[C@H]2C1	REAL300005312257	0	53	0.0	-65.14	415.34	9.52	-55.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NCC4=CSC=C4)C=C3)C[C@H]2C1	REAL300005312257	1	53	0.0	-75.29	414.79	9.54	-65.75
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCSCC1	REAL300005312258	0	50	0.0	-63.42	361.00	6.74	-56.68
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCSCC1	REAL300005312258	1	50	0.0	-67.73	358.33	6.21	-61.52
CC(C)CC1=CC=C(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312259	0	62	0.0	-74.76	460.90	13.34	-61.42
CC(C)CC1=CC=C(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312259	1	62	0.0	-70.94	461.03	13.39	-57.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NCC4CC4)N=C3)C[C@H]2C1	REAL300005312260	0	52	0.0	-54.47	393.51	8.17	-46.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NCC4CC4)N=C3)C[C@H]2C1	REAL300005312260	1	52	0.0	-68.95	390.30	8.10	-60.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(SC(C)(C)C)=C3)C[C@H]2C1	REAL300005312262	0	53	0.0	-66.52	398.29	10.28	-56.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(SC(C)(C)C)=C3)C[C@H]2C1	REAL300005312262	1	53	0.0	-64.60	398.50	10.17	-54.43
COC1=CC=C(COCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312263	0	58	0.0	-79.27	443.23	9.24	-70.03
COC1=CC=C(COCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312263	1	58	0.0	-74.72	443.41	9.27	-65.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4=NC=CN4)=C3)C[C@H]2C1	REAL300005312265	0	47	0.0	-57.59	362.96	6.63	-50.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4=NC=CN4)=C3)C[C@H]2C1	REAL300005312265	1	47	0.0	-65.94	365.16	6.61	-59.33
CN(CCC1=CC=CC=C1)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312266	1	55	0.0	-65.01	408.65	8.99	-56.02
CN(CCC1=CC=CC=C1)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312266	1	55	0.0	-65.66	410.79	8.91	-56.75
CC1=CN(C2CCOCC2)N=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312268	0	55	0.0	-73.53	406.33	7.94	-65.59
CC1=CN(C2CCOCC2)N=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312268	1	55	0.0	-68.83	406.92	7.74	-61.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NC4=C3CCCC4)C[C@H]2C1	REAL300005312269	0	50	0.0	-74.47	374.27	7.53	-66.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NC4=C3CCCC4)C[C@H]2C1	REAL300005312269	1	50	0.0	-69.29	376.30	7.45	-61.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(S(N)(=O)=O)CC3)C[C@H]2C1	REAL300005312270	0	43	0.0	-51.78	338.48	2.14	-49.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(S(N)(=O)=O)CC3)C[C@H]2C1	REAL300005312270	1	43	0.0	-59.80	340.05	1.69	-58.11
CC1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005312271	0	44	0.0	-70.45	339.33	6.16	-64.29
CC1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005312271	1	44	0.0	-74.05	329.42	6.53	-67.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CN4C=CN=C34)C[C@H]2C1	REAL300005312273	0	43	0.0	-70.14	333.29	7.79	-62.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CN4C=CN=C34)C[C@H]2C1	REAL300005312273	1	43	0.0	-77.09	333.72	7.68	-69.41
COCCOCCC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN1	REAL300005312274	0	55	0.0	-64.12	423.42	6.07	-58.05
COCCOCCC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN1	REAL300005312274	1	55	0.0	-71.35	422.20	5.88	-65.47
COCCOCCC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005312274	1	55	0.0	-63.11	421.48	6.19	-56.92
COCCOCCC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005312274	1	55	0.0	-73.89	421.86	5.84	-68.05
CC1=NC(C2CC2)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312275	0	50	0.0	-69.14	373.56	8.90	-60.24
CC1=NC(C2CC2)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312275	1	50	0.0	-72.07	374.92	8.78	-63.29
CC1=NN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312276	0	44	0.0	-85.66	338.76	7.05	-78.61
CC1=NN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312276	1	44	0.0	-76.79	339.95	7.01	-69.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCCCC3)C[C@H]2C1	REAL300005312277	0	48	0.0	-44.48	348.11	7.92	-36.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCCCC3)C[C@H]2C1	REAL300005312277	1	48	0.0	-53.32	346.13	7.82	-45.50
CCC(C#N)(CC)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312278	0	47	0.0	-48.87	340.50	7.28	-41.59
CCC(C#N)(CC)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312278	1	47	0.0	-54.13	340.34	7.21	-46.92
CC1CC(C#N)(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312279	0	45	0.0	-61.45	342.42	7.82	-53.63
CC1CC(C#N)(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312279	1	45	0.0	-72.32	336.50	7.65	-64.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC4(CC4)C3)C[C@H]2C1	REAL300005312280	0	46	0.0	-58.42	351.05	8.91	-49.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC4(CC4)C3)C[C@H]2C1	REAL300005312280	1	46	0.0	-69.58	352.12	8.46	-61.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCCOC3)C[C@H]2C1	REAL300005312281	0	46	0.0	-62.90	338.41	5.75	-57.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CCCOC3)C[C@H]2C1	REAL300005312281	1	46	0.0	-74.28	334.67	5.56	-68.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3N3CCOCC3)C[C@H]2C1	REAL300005312282	0	53	0.0	-58.22	395.78	6.86	-51.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3N3CCOCC3)C[C@H]2C1	REAL300005312282	1	53	0.0	-65.19	395.56	6.61	-58.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(S(N)(=O)=O)CC3)C[C@H]2C1	REAL300005312283	0	51	0.0	-54.73	387.54	2.28	-52.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(S(N)(=O)=O)CC3)C[C@H]2C1	REAL300005312283	1	51	0.0	-65.13	387.98	2.23	-62.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNS(=O)(=O)C3=CC=CN=C3)C[C@H]2C1	REAL300005312284	0	51	0.0	-71.02	408.16	4.03	-66.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNS(=O)(=O)C3=CC=CN=C3)C[C@H]2C1	REAL300005312284	1	51	0.0	-76.23	408.11	3.69	-72.54
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005312285	0	44	0.0	-67.06	336.35	4.70	-62.36
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005312285	1	44	0.0	-65.54	334.72	4.57	-60.97
CNC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312286	0	45	0.0	-55.16	340.49	5.79	-49.37
CNC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312286	1	45	0.0	-69.77	337.26	5.73	-64.04
CN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312287	0	48	0.0	-54.53	359.86	7.76	-46.77
CN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312287	1	48	0.0	-70.25	356.94	7.58	-62.67
CCCC1=NNC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312288	0	47	0.0	-66.94	352.75	6.57	-60.37
CCCC1=NNC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312288	1	47	0.0	-70.45	347.06	6.34	-64.11
CCC1=NNC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312289	0	44	0.0	-66.00	329.10	5.78	-60.22
CCC1=NNC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312289	1	44	0.0	-70.10	329.02	5.65	-64.45
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300005312290	0	53	0.0	-68.95	399.58	10.18	-58.77
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300005312290	1	53	0.0	-75.03	398.91	10.18	-64.85
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300005312291	0	56	0.0	-68.17	410.68	10.59	-57.58
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300005312291	1	56	0.0	-73.18	409.93	10.62	-62.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=C3CCC4)C[C@H]2C1	REAL300005312292	0	45	0.0	-74.00	337.23	6.92	-67.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=C3CCC4)C[C@H]2C1	REAL300005312292	1	45	0.0	-71.47	337.60	6.90	-64.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3CC3=CC=NC=C3)C[C@H]2C1	REAL300005312293	0	58	0.0	-75.34	422.03	7.88	-67.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3CC3=CC=NC=C3)C[C@H]2C1	REAL300005312293	1	58	0.0	-71.29	424.31	7.89	-63.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3CC3=CC=CN=C3)C[C@H]2C1	REAL300005312294	0	58	0.0	-66.09	423.72	8.00	-58.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCN3CC3=CC=CN=C3)C[C@H]2C1	REAL300005312294	1	58	0.0	-69.58	412.46	7.53	-62.05
CC1=NNC(C)=C1C(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312295	0	50	0.0	-49.22	363.22	7.07	-42.15
CC1=NNC(C)=C1C(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312295	1	50	0.0	-69.83	359.38	6.80	-63.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=CC=N3)C[C@H]2C1	REAL300005312297	0	45	0.0	-64.93	346.17	6.45	-58.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=CC=N3)C[C@H]2C1	REAL300005312297	1	45	0.0	-70.50	342.32	6.29	-64.21
COC1=CC(C)=CN=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312298	0	47	0.0	-78.06	353.15	8.30	-69.76
COC1=CC(C)=CN=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312298	1	47	0.0	-71.80	352.44	8.11	-63.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC=C(C(C)(C)C)O3)C[C@H]2C1	REAL300005312299	0	55	0.0	-73.29	416.69	7.33	-65.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC=C(C(C)(C)C)O3)C[C@H]2C1	REAL300005312299	1	55	0.0	-70.51	416.87	7.38	-63.13
CSC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312300	0	48	0.0	-59.12	375.96	9.99	-49.13
CSC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312300	1	48	0.0	-64.69	375.27	9.94	-54.75
CCC1=NN(C)C(CC)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312301	0	56	0.0	-70.70	418.36	9.28	-61.42
CCC1=NN(C)C(CC)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312301	1	56	0.0	-71.84	414.54	9.30	-62.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3CCCC3)C[C@H]2C1	REAL300005312302	0	51	0.0	-77.58	377.87	9.21	-68.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3CCCC3)C[C@H]2C1	REAL300005312302	1	51	0.0	-67.83	377.73	9.14	-58.69
CCSC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312303	0	51	0.0	-74.40	398.48	10.93	-63.47
CCSC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312303	1	51	0.0	-70.82	398.67	10.98	-59.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)N=CS3)C[C@H]2C1	REAL300005312304	0	40	0.0	-60.70	329.83	6.18	-54.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)N=CS3)C[C@H]2C1	REAL300005312304	1	40	0.0	-72.21	328.92	6.23	-65.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC=CC(O)=C43)C[C@H]2C1	REAL300005312305	0	48	0.0	-78.06	366.12	9.12	-68.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC=CC(O)=C43)C[C@H]2C1	REAL300005312305	1	48	0.0	-63.43	363.79	8.99	-54.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(O)C4=CC=CC=C4C=N3)C[C@H]2C1	REAL300005312307	0	47	0.0	-67.30	358.98	7.99	-59.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(O)C4=CC=CC=C4C=N3)C[C@H]2C1	REAL300005312307	1	47	0.0	-64.39	359.90	8.02	-56.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3C3CC3)C[C@H]2C1	REAL300005312308	0	47	0.0	-79.24	354.88	8.54	-70.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3C3CC3)C[C@H]2C1	REAL300005312308	1	47	0.0	-61.16	349.77	8.64	-52.52
CC1=CC=CC(Cl)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312309	0	47	0.0	-75.53	367.89	10.02	-65.51
CC1=CC=CC(Cl)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312309	1	47	0.0	-64.82	369.38	9.99	-54.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4OCCCN4N=C3)C[C@H]2C1	REAL300005312310	0	46	0.0	-67.69	343.51	5.18	-62.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4OCCCN4N=C3)C[C@H]2C1	REAL300005312310	1	46	0.0	-74.31	340.39	4.99	-69.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=CC(O)=C3)C[C@H]2C1	REAL300005312311	0	44	0.0	-67.69	344.34	4.45	-63.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=CC(O)=C3)C[C@H]2C1	REAL300005312311	1	44	0.0	-71.75	344.00	4.38	-67.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCC(=O)CC3)C[C@H]2C1	REAL300005312312	0	49	0.0	-76.84	345.72	7.60	-69.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCC(=O)CC3)C[C@H]2C1	REAL300005312312	1	49	0.0	-66.75	339.54	7.61	-59.14
CCOC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005312313	0	44	0.0	-66.74	342.33	4.01	-62.73
CCOC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005312313	1	44	0.0	-65.73	342.82	3.93	-61.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CN=CN4C=C3)C[C@H]2C1	REAL300005312314	0	44	0.0	-63.56	344.67	9.74	-53.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CN=CN4C=C3)C[C@H]2C1	REAL300005312314	1	44	0.0	-71.02	344.82	9.61	-61.41
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005312315	0	45	0.0	-76.26	356.73	5.26	-71.00
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005312315	1	45	0.0	-62.14	356.64	5.22	-56.92
CC1=NN=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312316	0	42	0.0	-78.48	317.32	5.76	-72.72
CC1=NN=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312316	1	42	0.0	-73.12	320.21	5.72	-67.40
CC(C)C1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312317	0	49	0.0	-65.35	365.85	8.92	-56.43
CC(C)C1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312317	1	49	0.0	-68.35	366.12	8.93	-59.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(F)F)C=N3)C[C@H]2C1	REAL300005312318	0	44	0.0	-57.28	345.88	6.64	-50.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC(F)F)C=N3)C[C@H]2C1	REAL300005312318	1	44	0.0	-66.80	346.29	6.51	-60.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCOCC3)C[C@H]2C1	REAL300005312319	0	54	0.0	-50.23	366.43	7.22	-43.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCOCC3)C[C@H]2C1	REAL300005312319	1	54	0.0	-69.67	366.02	7.14	-62.53
CCC1=CC=CC=C1N1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312320	0	53	0.0	-70.51	398.94	9.75	-60.76
CCC1=CC=CC=C1N1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312320	1	53	0.0	-66.04	402.12	9.62	-56.42
CC1=CC(F)=CC=C1N1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312321	0	50	0.0	-69.15	391.82	9.23	-59.92
CC1=CC(F)=CC=C1N1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312321	1	50	0.0	-65.07	389.59	8.92	-56.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC4=CC(F)=CC=C34)C[C@H]2C1	REAL300005312322	0	47	0.0	-76.10	370.84	9.50	-66.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC4=CC(F)=CC=C34)C[C@H]2C1	REAL300005312322	1	47	0.0	-70.11	372.37	9.45	-60.66
CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312323	0	50	0.0	-76.57	387.96	3.94	-72.63
CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312323	1	50	0.0	-70.82	389.54	3.91	-66.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NCC4=CC=CC=N4)=C3)C[C@H]2C1	REAL300005312324	0	55	0.0	-68.96	419.89	8.71	-60.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NCC4=CC=CC=N4)=C3)C[C@H]2C1	REAL300005312324	1	55	0.0	-78.82	419.77	8.78	-70.04
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312325	0	53	0.0	-75.81	408.34	6.98	-68.83
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312325	1	53	0.0	-85.02	407.93	7.03	-77.99
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312326	0	51	0.0	-76.53	395.40	8.48	-68.05
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312326	1	51	0.0	-75.38	395.93	8.54	-66.84
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=CC=CC=C2C)=N1	REAL300005312327	0	53	0.0	-54.21	413.41	10.18	-44.03
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=CC=CC=C2C)=N1	REAL300005312327	1	53	0.0	-68.95	408.49	10.20	-58.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCOC3)C[C@H]2C1	REAL300005312328	0	46	0.0	-82.08	345.27	5.88	-76.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCOC3)C[C@H]2C1	REAL300005312328	1	46	0.0	-68.03	346.63	5.90	-62.13
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCSC1	REAL300005312329	1	50	0.0	-73.45	371.30	6.77	-66.68
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCSC1	REAL300005312329	1	50	0.0	-65.20	369.80	6.79	-58.41
CC(C)CN1C=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005312330	0	57	0.0	-63.18	420.52	11.71	-51.47
CC(C)CN1C=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005312330	1	57	0.0	-67.68	420.81	11.61	-56.07
CC1=CC=C(C2=CNC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312331	0	49	0.0	-86.33	388.87	9.52	-76.81
CC1=CC=C(C2=CNC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312331	1	49	0.0	-75.33	383.79	9.37	-65.96
CC1=CC=CC=C1N1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312332	0	50	0.0	-70.46	385.44	9.15	-61.31
CC1=CC=CC=C1N1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312332	1	50	0.0	-67.45	379.67	8.77	-58.68
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C(C)C)O1	REAL300005312333	0	49	0.0	-58.03	369.27	6.57	-51.46
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C(C)C)O1	REAL300005312333	1	49	0.0	-66.69	368.06	6.33	-60.36
CC(OCC1=CC=NC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312334	0	50	0.0	-80.24	381.34	8.18	-72.06
CC(OCC1=CC=NC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312334	1	50	0.0	-72.01	382.17	8.11	-63.90
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312335	0	48	0.0	-66.97	365.86	9.61	-57.36
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312335	1	48	0.0	-72.08	369.51	9.57	-62.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NNN=C3)C[C@H]2C1	REAL300005312336	0	43	0.0	-70.82	331.98	4.94	-65.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NNN=C3)C[C@H]2C1	REAL300005312336	1	43	0.0	-66.05	333.31	4.88	-61.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CNN=N3)C[C@H]2C1	REAL300005312336	1	43	0.0	-71.93	332.08	5.02	-66.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CNN=N3)C[C@H]2C1	REAL300005312336	1	43	0.0	-67.28	333.40	4.96	-62.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC(O)CO)N=C3)C[C@H]2C1	REAL300005312337	0	49	0.0	-59.67	377.65	1.18	-58.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC(O)CO)N=C3)C[C@H]2C1	REAL300005312337	1	49	0.0	-71.84	376.28	1.05	-70.79
CCC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005312338	0	49	0.0	-81.18	373.01	8.85	-72.33
CCC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005312338	1	49	0.0	-73.00	374.16	8.81	-64.19
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=C1CCCC2	REAL300005312339	0	51	0.0	-75.59	375.10	8.76	-66.83
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=C1CCCC2	REAL300005312339	1	51	0.0	-71.89	372.45	8.47	-63.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(CO)=N3)C[C@H]2C1	REAL300005312340	0	41	0.0	-74.07	329.04	3.18	-70.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(CO)=N3)C[C@H]2C1	REAL300005312340	1	41	0.0	-70.42	330.66	3.02	-67.40
CCON1CCC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005312341	0	56	0.0	-74.43	408.83	8.10	-66.33
CCON1CCC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005312341	1	56	0.0	-69.91	402.18	7.48	-62.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CN=C3)C[C@H]2C1	REAL300005312342	0	47	0.0	-63.00	361.06	8.62	-54.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CN=C3)C[C@H]2C1	REAL300005312342	1	47	0.0	-69.84	356.75	8.44	-61.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CNN=C3)C[C@H]2C1	REAL300005312343	0	44	0.0	-72.78	338.04	6.35	-66.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CNN=C3)C[C@H]2C1	REAL300005312343	1	44	0.0	-69.42	338.23	6.40	-63.02
CN(C)C1=CC=CN=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312344	0	48	0.0	-60.53	359.04	7.74	-52.79
CN(C)C1=CC=CN=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312344	1	48	0.0	-69.22	355.92	7.54	-61.68
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312348	0	58	0.0	-75.56	422.27	10.51	-65.05
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312348	1	58	0.0	-67.39	419.37	10.59	-56.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC34CCCC4)C[C@H]2C1	REAL300005312350	0	49	0.0	-56.66	366.59	9.61	-47.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC34CCCC4)C[C@H]2C1	REAL300005312350	1	49	0.0	-69.36	363.08	9.00	-60.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC4CCC3CC4)C[C@H]2C1	REAL300005312351	0	52	0.0	-54.04	363.68	8.95	-45.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC4CCC3CC4)C[C@H]2C1	REAL300005312351	1	52	0.0	-67.35	363.89	8.91	-58.44
CC1=NN(C)C2=NC(C)=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005312352	0	52	0.0	-82.63	393.26	8.32	-74.31
CC1=NN(C)C2=NC(C)=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005312352	1	52	0.0	-72.66	392.28	8.45	-64.21
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC2=NC=CC(C)=C12	REAL300005312353	0	49	0.0	-57.30	369.96	8.67	-48.63
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC2=NC=CC(C)=C12	REAL300005312353	1	49	0.0	-69.09	369.69	8.53	-60.56
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005312354	0	47	0.0	-61.44	349.74	6.98	-54.46
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005312354	1	47	0.0	-68.07	349.32	6.82	-61.25
CCCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005312355	0	50	0.0	-61.45	371.23	7.76	-53.69
CCCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005312355	1	50	0.0	-69.00	367.26	7.54	-61.46
CN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C(F)(F)F	REAL300005312356	0	44	0.0	-79.40	339.93	6.50	-72.90
CN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C(F)(F)F	REAL300005312356	1	44	0.0	-59.63	338.76	6.65	-52.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005312357	0	46	0.0	-63.00	365.40	7.88	-55.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005312357	1	46	0.0	-63.00	367.49	7.80	-55.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=NC=C3)C[C@H]2C1	REAL300005312358	0	47	0.0	-70.85	357.90	6.30	-64.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=NC=C3)C[C@H]2C1	REAL300005312358	1	47	0.0	-71.29	358.30	6.16	-65.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC(F)=C4)=NO3)C[C@H]2C1	REAL300005312359	0	47	0.0	-55.92	375.24	9.36	-46.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC(F)=C4)=NO3)C[C@H]2C1	REAL300005312359	1	47	0.0	-65.27	372.05	9.15	-56.12
CC(=O)C1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312361	0	49	0.0	-67.82	380.88	9.56	-58.26
CC(=O)C1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312361	1	49	0.0	-75.55	378.82	9.43	-66.12
CN1C=C(S(=O)(=O)NCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312362	0	49	0.0	-77.47	394.43	2.49	-74.98
CN1C=C(S(=O)(=O)NCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312362	1	49	0.0	-76.02	393.29	2.31	-73.71
CN1C=C(C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C2)C=N1	REAL300005312363	0	50	0.0	-64.51	381.69	7.80	-56.71
CN1C=C(C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C2)C=N1	REAL300005312363	1	50	0.0	-71.27	382.62	7.33	-63.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC4=CC=CNC4=N3)C[C@H]2C1	REAL300005312364	0	49	0.0	-74.08	378.54	8.45	-65.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC4=CC=CNC4=N3)C[C@H]2C1	REAL300005312364	1	49	0.0	-86.83	378.49	8.12	-78.71
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCC2=CC=CC=C2C1	REAL300005312365	0	56	0.0	-62.13	403.92	8.77	-53.36
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCC2=CC=CC=C2C1	REAL300005312365	1	56	0.0	-71.30	401.47	8.40	-62.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CN4C=CN=C34)C[C@H]2C1	REAL300005312366	0	43	0.0	-70.14	333.29	7.79	-62.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CN4C=CN=C34)C[C@H]2C1	REAL300005312366	1	43	0.0	-77.09	333.72	7.68	-69.41
CC1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1C	REAL300005312367	0	48	0.0	-58.66	356.60	6.98	-51.68
CC1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1C	REAL300005312367	1	48	0.0	-66.70	356.92	6.88	-59.82
CC1=CC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C2C=C1	REAL300005312368	0	49	0.0	-60.88	372.52	9.87	-51.01
CC1=CC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C2C=C1	REAL300005312368	1	49	0.0	-67.01	374.61	9.78	-57.23
CC1=CN=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312369	0	49	0.0	-73.41	374.49	8.73	-64.68
CC1=CN=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312369	1	49	0.0	-70.63	374.67	8.78	-61.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CN=CC=C4S3)C[C@H]2C1	REAL300005312370	0	42	0.0	-69.45	338.79	6.58	-62.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CN=CC=C4S3)C[C@H]2C1	REAL300005312370	1	42	0.0	-65.17	340.40	6.41	-58.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC3C3=CC=CC=C3)C[C@H]2C1	REAL300005312371	0	54	0.0	-64.88	391.89	11.63	-53.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC3C3=CC=CC=C3)C[C@H]2C1	REAL300005312371	1	54	0.0	-65.20	390.03	10.93	-54.27
COC1=CC=C2OC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005312372	0	48	0.0	-87.38	368.93	7.80	-79.58
COC1=CC=C2OC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005312372	1	48	0.0	-81.39	365.16	7.69	-73.70
CC1=CN=C(COCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312373	0	47	0.0	-71.06	370.51	5.05	-66.01
CC1=CN=C(COCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312373	1	47	0.0	-73.94	369.69	4.99	-68.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=NNN=C43)C[C@H]2C1	REAL300005312374	0	42	0.0	-68.44	327.09	4.71	-63.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=NNN=C43)C[C@H]2C1	REAL300005312374	1	42	0.0	-66.25	327.62	4.60	-61.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCCOC4=C3)C[C@H]2C1	REAL300005312375	0	46	0.0	-63.94	346.80	5.37	-58.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCCOC4=C3)C[C@H]2C1	REAL300005312375	1	46	0.0	-71.27	345.57	5.18	-66.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCC(C)(C)C4=C3)C[C@H]2C1	REAL300005312376	0	52	0.0	-76.96	386.78	8.96	-68.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4OCC(C)(C)C4=C3)C[C@H]2C1	REAL300005312376	1	52	0.0	-67.90	384.05	8.78	-59.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005312377	0	49	0.0	-52.27	375.58	9.58	-42.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005312377	1	49	0.0	-74.57	377.80	9.51	-65.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCOC3=CC=CC=C34)C[C@H]2C1	REAL300005312378	0	53	0.0	-73.12	390.93	10.08	-63.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCOC3=CC=CC=C34)C[C@H]2C1	REAL300005312378	1	53	0.0	-70.56	385.52	9.86	-60.70
CC1=CC(Br)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312379	0	44	0.0	-58.34	349.74	9.20	-49.14
CC1=CC(Br)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312379	1	44	0.0	-64.54	350.03	9.10	-55.44
COC(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312380	0	51	0.0	-80.46	376.84	9.41	-71.05
COC(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312380	1	51	0.0	-68.76	378.98	9.37	-59.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NN=CN3)C[C@H]2C1	REAL300005312381	0	43	0.0	-72.66	332.19	7.28	-65.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NN=CN3)C[C@H]2C1	REAL300005312381	1	43	0.0	-68.16	333.51	7.22	-60.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NNC=N3)C[C@H]2C1	REAL300005312381	1	43	0.0	-76.34	332.81	6.89	-69.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NNC=N3)C[C@H]2C1	REAL300005312381	1	43	0.0	-73.77	332.99	6.94	-66.83
CCC(CC)C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCOCC1	REAL300005312382	0	62	0.0	-64.59	415.86	7.36	-57.23
CCC(CC)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCOCC1	REAL300005312382	1	62	0.0	-65.05	415.43	8.99	-56.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=NNC(C5CC5)=N4)C=C3)C[C@H]2C1	REAL300005312383	0	54	0.0	-58.20	417.98	10.21	-47.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=NNC(C5CC5)=N4)C=C3)C[C@H]2C1	REAL300005312383	1	54	0.0	-63.65	411.52	10.27	-53.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC(C(F)(F)F)=CN4C=C3)C[C@H]2C1	REAL300005312384	0	47	0.0	-67.26	385.32	9.81	-57.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC(C(F)(F)F)=CN4C=C3)C[C@H]2C1	REAL300005312384	1	47	0.0	-76.42	385.45	9.70	-66.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4C=C(C(F)(F)F)N=C4C=C3)C[C@H]2C1	REAL300005312385	0	47	0.0	-62.28	385.48	9.87	-52.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4C=C(C(F)(F)F)N=C4C=C3)C[C@H]2C1	REAL300005312385	1	47	0.0	-65.44	385.45	9.76	-55.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=C5OCCC5=C4)=NO3)C[C@H]2C1	REAL300005312387	0	52	0.0	-69.28	403.32	9.10	-60.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=C5OCCC5=C4)=NO3)C[C@H]2C1	REAL300005312387	1	52	0.0	-65.57	405.06	9.02	-56.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4N=CSC4=CC=C3)C[C@H]2C1	REAL300005312389	0	43	0.0	-75.35	342.56	7.52	-67.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4N=CSC4=CC=C3)C[C@H]2C1	REAL300005312389	1	43	0.0	-67.86	342.92	7.40	-60.46
COCCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005312390	0	51	0.0	-83.48	384.37	6.26	-77.22
COCCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005312390	1	51	0.0	-63.40	386.35	6.42	-56.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(OCC4=CC=CC=C4)C=N3)C[C@H]2C1	REAL300005312391	0	53	0.0	-71.47	412.83	7.71	-63.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(OCC4=CC=CC=C4)C=N3)C[C@H]2C1	REAL300005312391	1	53	0.0	-65.95	412.24	7.49	-58.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CSCC(C3)C4=O)C[C@H]2C1	REAL300005312392	0	51	0.0	-68.90	372.85	8.83	-60.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CSCC(C3)C4=O)C[C@H]2C1	REAL300005312392	1	51	0.0	-56.79	369.46	8.70	-48.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=N4)CC3)C[C@H]2C1	REAL300005312393	0	47	0.0	-71.94	359.93	8.46	-63.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=N4)CC3)C[C@H]2C1	REAL300005312393	1	47	0.0	-67.69	359.78	8.50	-59.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CS(=O)(=O)C3CC3)C[C@H]2C1	REAL300005312394	0	44	0.0	-76.46	347.05	5.01	-71.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CS(=O)(=O)C3CC3)C[C@H]2C1	REAL300005312394	1	44	0.0	-82.93	351.19	4.85	-78.08
CC1=CC=C(C(C)C(O)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312395	0	54	0.0	-46.46	398.75	9.06	-37.40
CC1=CC=C(C(C)C(O)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312395	1	54	0.0	-56.58	396.67	9.01	-47.57
CC(C1=CC=CC=C1)C(C)(O)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312396	0	54	0.0	-62.12	389.22	8.21	-53.91
CC(C1=CC=CC=C1)C(C)(O)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312396	1	54	0.0	-61.66	385.97	8.00	-53.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(CC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005312397	0	51	0.0	-61.03	396.94	10.22	-50.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(CC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005312397	1	51	0.0	-70.48	393.81	9.99	-60.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4CCCCC4)C=C3)C[C@H]2C1	REAL300005312398	0	54	0.0	-58.63	397.28	9.57	-49.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4CCCCC4)C=C3)C[C@H]2C1	REAL300005312398	1	54	0.0	-69.47	394.16	9.37	-60.10
CNC1=CN=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312399	0	44	0.0	-75.15	333.81	4.89	-70.26
CNC1=CN=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312399	1	44	0.0	-68.79	333.21	4.66	-64.13
CN(C)C1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005312400	0	47	0.0	-75.43	352.60	6.85	-68.58
CN(C)C1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005312400	1	47	0.0	-68.15	356.44	6.61	-61.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(OC4=CC=CC=C4)C=N3)C[C@H]2C1	REAL300005312401	0	50	0.0	-72.17	390.71	7.36	-64.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(OC4=CC=CC=C4)C=N3)C[C@H]2C1	REAL300005312401	1	50	0.0	-65.53	393.58	7.22	-58.31
CC(C)OC1=CN=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312402	0	49	0.0	-62.69	374.68	5.60	-57.09
CC(C)OC1=CN=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312402	1	49	0.0	-64.13	376.02	5.45	-58.68
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1CC1=CC=CC=C1	REAL300005312405	0	56	0.0	-57.08	425.84	9.86	-47.22
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1CC1=CC=CC=C1	REAL300005312405	1	56	0.0	-63.79	424.91	10.06	-53.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=NC(N)=N3)C[C@H]2C1	REAL300005312406	0	42	0.0	-88.53	326.98	7.48	-81.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=NC(N)=N3)C[C@H]2C1	REAL300005312406	1	42	0.0	-79.89	328.21	7.42	-72.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3CCOCC3)C[C@H]2C1	REAL300005312407	0	52	0.0	-66.66	381.53	5.86	-60.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3CCOCC3)C[C@H]2C1	REAL300005312407	1	52	0.0	-75.60	381.11	5.86	-69.74
CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300005312408	0	58	0.0	-67.81	425.96	8.04	-59.77
CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300005312408	1	58	0.0	-63.06	426.52	7.97	-55.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(C)(C)C)N=CN3)C[C@H]2C1	REAL300005312410	0	50	0.0	-74.07	365.10	8.58	-65.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(C)(C)C)N=CN3)C[C@H]2C1	REAL300005312410	1	50	0.0	-71.11	358.10	8.58	-62.53
CCC1=NC=CN1C(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312411	0	53	0.0	-61.03	396.84	9.58	-51.45
CCC1=NC=CN1C(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312411	1	53	0.0	-69.65	397.51	9.56	-60.09
CON1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005312412	0	50	0.0	-48.64	369.44	6.29	-42.35
CON1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005312412	1	50	0.0	-71.28	359.22	5.49	-65.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(NC4CCC4)=C3)C[C@H]2C1	REAL300005312413	0	52	0.0	-56.11	388.08	8.06	-48.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(NC4CCC4)=C3)C[C@H]2C1	REAL300005312413	1	52	0.0	-74.16	384.73	8.07	-66.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=NC4=CN=C3)C[C@H]2C1	REAL300005312415	0	43	0.0	-54.08	328.94	6.00	-48.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=NC4=CN=C3)C[C@H]2C1	REAL300005312415	1	43	0.0	-71.34	330.64	5.93	-65.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C4N=CN=C43)C[C@H]2C1	REAL300005312415	1	43	0.0	-73.97	338.46	6.33	-67.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C4N=CN=C43)C[C@H]2C1	REAL300005312415	1	43	0.0	-71.23	338.73	6.19	-65.04
CN1CCCC1C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005312416	0	53	0.0	-70.39	395.10	5.54	-64.85
CN1CCCC1C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005312416	1	53	0.0	-66.34	388.37	5.08	-61.26
CN1CCCC1C1=NNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312416	1	53	0.0	-63.47	391.61	5.36	-58.11
CN1CCCC1C1=NNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312416	1	53	0.0	-67.83	389.78	5.20	-62.63
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312417	1	48	0.0	-77.24	359.39	6.55	-70.69
C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312417	1	48	0.0	-68.87	359.61	6.59	-62.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(N4C=CN=C4)C=C3)C[C@H]2C1	REAL300005312418	0	51	0.0	-77.50	392.76	11.45	-66.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(N4C=CN=C4)C=C3)C[C@H]2C1	REAL300005312418	1	51	0.0	-72.39	394.26	11.41	-60.98
CC1=CC=NC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312419	0	46	0.0	-68.18	350.79	7.84	-60.34
CC1=CC=NC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312419	1	46	0.0	-70.64	350.10	7.79	-62.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C4N=C(C(F)(F)F)N=C43)C[C@H]2C1	REAL300005312420	0	46	0.0	-78.25	379.77	6.55	-71.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C4N=C(C(F)(F)F)N=C43)C[C@H]2C1	REAL300005312420	1	46	0.0	-75.08	376.50	6.33	-68.75
CN1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005312421	0	53	0.0	-65.81	383.57	8.70	-57.11
CN1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005312421	1	53	0.0	-71.00	387.46	8.53	-62.47
CC(C)[C@H](NCC(F)(F)F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312422	0	51	0.0	-78.69	380.27	6.59	-72.10
CC(C)[C@H](NCC(F)(F)F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312422	1	51	0.0	-63.76	377.31	6.59	-57.17
CCC1=CNC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312423	0	47	0.0	-73.51	360.55	7.15	-66.36
CCC1=CNC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312423	1	47	0.0	-80.18	357.59	7.05	-73.13
CC1CN(C)CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312424	0	50	0.0	-60.74	365.85	5.42	-55.32
CC1CN(C)CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312424	1	50	0.0	-65.59	355.86	5.53	-60.06
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)NC1=O	REAL300005312425	0	44	0.0	-68.38	343.87	4.30	-64.08
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)NC1=O	REAL300005312425	1	44	0.0	-60.93	347.30	4.32	-56.61
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(S(N)(=O)=O)=C(C)O1	REAL300005312426	0	49	0.0	-81.50	390.67	2.93	-78.57
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(S(N)(=O)=O)=C(C)O1	REAL300005312426	1	49	0.0	-74.61	389.47	2.93	-71.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)(F)F)=CNC3=O)C[C@H]2C1	REAL300005312427	0	44	0.0	-70.63	357.88	6.12	-64.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)(F)F)=CNC3=O)C[C@H]2C1	REAL300005312427	1	44	0.0	-71.38	361.13	6.10	-65.28
CN(C)C1=NC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312428	0	48	0.0	-69.39	362.26	7.16	-62.23
CN(C)C1=NC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312428	1	48	0.0	-64.39	362.60	7.05	-57.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN4C=CC=NC4=N3)C[C@H]2C1	REAL300005312429	0	45	0.0	-91.01	353.81	8.98	-82.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN4C=CC=NC4=N3)C[C@H]2C1	REAL300005312429	1	45	0.0	-80.18	351.41	9.09	-71.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3CC3=CC=CC=N3)C[C@H]2C1	REAL300005312430	0	55	0.0	-75.97	401.80	6.95	-69.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3CC3=CC=CC=N3)C[C@H]2C1	REAL300005312430	1	55	0.0	-71.78	406.08	6.91	-64.87
CC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NC2=NN1	REAL300005312431	0	46	0.0	-59.27	353.34	6.44	-52.83
CC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NC2=NN1	REAL300005312431	1	46	0.0	-79.16	350.65	6.36	-72.80
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312432	0	54	0.0	-69.29	413.99	7.25	-62.04
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312432	1	54	0.0	-74.80	414.91	7.32	-67.48
CC1=NN(C)C(C)=C1C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005312432	1	54	0.0	-60.32	417.36	7.41	-52.91
CC1=NN(C)C(C)=C1C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005312432	1	54	0.0	-64.32	415.75	7.35	-56.97
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCOCC1	REAL300005312433	0	50	0.0	-62.71	350.69	4.45	-58.26
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCOCC1	REAL300005312433	1	50	0.0	-70.94	358.37	4.27	-66.67
CC1=NC=CN1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312434	0	44	0.0	-75.06	337.21	7.89	-67.17
CC1=NC=CN1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312434	1	44	0.0	-69.87	337.29	7.87	-62.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=C3CCCCC4)C[C@H]2C1	REAL300005312435	0	51	0.0	-72.71	365.93	7.90	-64.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=C3CCCCC4)C[C@H]2C1	REAL300005312435	1	51	0.0	-68.34	367.53	7.74	-60.60
CC(CN1CCOCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312436	1	53	0.0	-62.05	381.48	5.25	-56.80
CC(CN1CCOCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312436	1	53	0.0	-68.55	381.57	5.17	-63.38
CC(C)N1C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312437	0	48	0.0	-71.09	354.19	8.95	-62.14
CC(C)N1C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312437	1	48	0.0	-68.68	349.41	8.72	-59.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC=CC=C4C=C3)C[C@H]2C1	REAL300005312438	0	46	0.0	-60.05	352.56	8.42	-51.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC=CC=C4C=C3)C[C@H]2C1	REAL300005312438	1	46	0.0	-69.73	352.78	8.32	-61.41
CC1=CC=NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312439	0	43	0.0	-71.90	323.29	6.79	-65.11
CC1=CC=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312439	1	43	0.0	-65.10	324.57	6.75	-58.35
CC1=CN=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312440	0	43	0.0	-64.30	324.59	6.90	-57.40
CC1=CN=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312440	1	43	0.0	-69.41	324.82	6.77	-62.64
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1O	REAL300005312441	0	45	0.0	-65.85	339.58	5.87	-59.98
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1O	REAL300005312441	1	45	0.0	-75.18	339.45	5.92	-69.26
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005312442	0	43	0.0	-64.40	323.93	6.81	-57.59
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005312442	1	43	0.0	-73.11	323.66	6.84	-66.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4C=CC=NC4=C3)C[C@H]2C1	REAL300005312443	0	43	0.0	-64.04	336.06	7.35	-56.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4C=CC=NC4=C3)C[C@H]2C1	REAL300005312443	1	43	0.0	-74.86	332.93	7.12	-67.74
CC1=NC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005312444	0	49	0.0	-76.19	372.68	8.96	-67.23
CC1=NC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005312444	1	49	0.0	-79.92	371.15	8.99	-70.93
COC1=CC(Cl)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312445	0	45	0.0	-60.63	353.35	7.73	-52.90
COC1=CC(Cl)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312445	1	45	0.0	-66.04	353.54	7.61	-58.43
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CS1	REAL300005312446	0	41	0.0	-74.39	319.73	7.74	-66.65
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CS1	REAL300005312446	1	41	0.0	-67.56	311.65	7.52	-60.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=NC4=CC=C3)C[C@H]2C1	REAL300005312447	0	44	0.0	-78.27	335.74	7.68	-70.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=NC4=CC=C3)C[C@H]2C1	REAL300005312447	1	44	0.0	-65.75	337.87	7.59	-58.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4N=CNC4=CC=C3)C[C@H]2C1	REAL300005312447	1	44	0.0	-69.52	337.49	7.71	-61.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4N=CNC4=CC=C3)C[C@H]2C1	REAL300005312447	1	44	0.0	-74.72	334.17	7.50	-67.22
CC1=NC(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=CS1	REAL300005312448	0	50	0.0	-73.84	393.60	9.40	-64.44
CC1=NC(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)=CS1	REAL300005312448	1	50	0.0	-54.19	390.26	9.30	-44.89
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005312449	0	43	0.0	-59.14	326.96	5.22	-53.92
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005312449	1	43	0.0	-58.09	326.92	5.26	-52.83
COC1=CC=CC(C2=NNC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=C1	REAL300005312450	0	52	0.0	-59.49	397.98	8.09	-51.40
COC1=CC=CC(C2=NNC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=C1	REAL300005312450	1	52	0.0	-71.58	398.35	7.74	-63.84
COC1=CC=CC(C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=NN2)=C1	REAL300005312450	1	52	0.0	-72.12	399.27	7.86	-64.26
COC1=CC=CC(C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=NN2)=C1	REAL300005312450	1	52	0.0	-67.73	401.04	7.69	-60.04
CC1CCN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005312451	1	52	0.0	-73.17	372.85	7.07	-66.10
CC1CCN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005312451	1	52	0.0	-68.14	371.25	6.94	-61.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4CCCC4)=C3)C[C@H]2C1	REAL300005312452	0	53	0.0	-59.44	385.03	8.42	-51.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4CCCC4)=C3)C[C@H]2C1	REAL300005312452	1	53	0.0	-65.65	385.22	8.28	-57.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C=C3Br)C[C@H]2C1	REAL300005312453	0	44	0.0	-67.09	362.62	9.62	-57.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(F)C=C3Br)C[C@H]2C1	REAL300005312453	1	44	0.0	-69.56	361.89	9.56	-60.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC4=CC=CC=C34)C[C@H]2C1	REAL300005312454	0	47	0.0	-70.21	363.49	9.47	-60.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=COC4=CC=CC=C34)C[C@H]2C1	REAL300005312454	1	47	0.0	-71.06	366.04	9.38	-61.68
CCCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005312455	0	46	0.0	-57.27	351.76	8.18	-49.09
CCCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005312455	1	46	0.0	-66.09	350.58	8.01	-58.08
CC1=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005312456	0	46	0.0	-72.02	362.11	7.61	-64.41
CC1=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005312456	1	46	0.0	-68.98	362.30	7.66	-61.32
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312457	0	54	0.0	-59.50	408.22	10.47	-49.03
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312457	1	54	0.0	-65.51	408.55	10.87	-54.64
CC1=CC=C2SC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005312458	0	47	0.0	-62.21	368.33	10.08	-52.13
CC1=CC=C2SC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005312458	1	47	0.0	-67.62	364.41	9.98	-57.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005312459	0	47	0.0	-60.21	370.46	10.37	-49.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005312459	1	47	0.0	-66.37	370.36	10.03	-56.34
CC1=CC=CC(C)=C1NCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312460	0	52	0.0	-64.45	382.29	8.59	-55.86
CC1=CC=CC(C)=C1NCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312460	1	52	0.0	-68.11	381.15	8.41	-59.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CCC4)C=C3)C[C@H]2C1	REAL300005312461	0	52	0.0	-67.46	386.77	9.58	-57.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CCC4)C=C3)C[C@H]2C1	REAL300005312461	1	52	0.0	-58.43	385.23	9.51	-48.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CNN=C4C3)C[C@H]2C1	REAL300005312462	0	48	0.0	-64.50	352.35	6.90	-57.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CNN=C4C3)C[C@H]2C1	REAL300005312462	1	48	0.0	-64.20	355.98	7.04	-57.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(NC4CC4)S3)C[C@H]2C1	REAL300005312463	0	46	0.0	-61.90	363.58	7.03	-54.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(NC4CC4)S3)C[C@H]2C1	REAL300005312463	1	46	0.0	-67.85	364.01	6.90	-60.95
CCN1CCOC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312464	0	50	0.0	-52.79	359.48	5.41	-47.38
CCN1CCOC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312464	1	50	0.0	-66.99	358.32	5.11	-61.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CN=C3)C[C@H]2C1	REAL300005312465	0	50	0.0	-68.22	383.28	8.08	-60.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CN=C3)C[C@H]2C1	REAL300005312465	1	50	0.0	-73.33	383.23	7.73	-65.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4)=NS3)C[C@H]2C1	REAL300005312466	0	47	0.0	-65.55	372.31	9.21	-56.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4)=NS3)C[C@H]2C1	REAL300005312466	1	47	0.0	-69.05	371.99	9.24	-59.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCSC4=CC=CC=C43)C[C@H]2C1	REAL300005312467	0	49	0.0	-64.44	369.03	10.58	-53.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCSC4=CC=CC=C43)C[C@H]2C1	REAL300005312467	1	49	0.0	-69.39	375.09	10.13	-59.26
C[C@H](CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312469	0	50	0.0	-49.17	374.56	10.26	-38.91
C[C@H](CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312469	1	50	0.0	-68.40	372.10	10.05	-58.35
C=CCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312470	0	51	0.0	-62.87	384.79	11.11	-51.76
C=CCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312470	1	51	0.0	-66.32	382.63	10.51	-55.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(O)C3=CC=CC=C3)C[C@H]2C1	REAL300005312471	0	51	0.0	-65.56	378.96	8.07	-57.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(O)C3=CC=CC=C3)C[C@H]2C1	REAL300005312471	1	51	0.0	-71.06	380.64	8.08	-62.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)S3)C[C@H]2C1	REAL300005312472	0	50	0.0	-54.21	381.15	9.58	-44.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)S3)C[C@H]2C1	REAL300005312472	1	50	0.0	-69.85	379.58	9.60	-60.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NSC4=CC=CC=C43)C[C@H]2C1	REAL300005312473	0	46	0.0	-63.55	369.38	9.07	-54.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NSC4=CC=CC=C43)C[C@H]2C1	REAL300005312473	1	46	0.0	-77.58	368.55	9.02	-68.56
CCC(O)(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312474	0	54	0.0	-65.87	396.33	8.91	-56.96
CCC(O)(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312474	1	54	0.0	-67.06	393.88	8.73	-58.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(CC(F)(C5)C3)C4)C[C@H]2C1	REAL300005312475	0	55	0.0	-62.69	376.04	9.82	-52.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(CC(F)(C5)C3)C4)C[C@H]2C1	REAL300005312475	1	55	0.0	-70.65	373.52	9.69	-60.96
CCCC(=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)CCC	REAL300005312476	0	53	0.0	-57.66	389.97	10.41	-47.25
CCCC(=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)CCC	REAL300005312476	1	53	0.0	-59.06	388.33	10.35	-48.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=C3CCC(C(C)(C)C)CC3)C[C@H]2C1	REAL300005312477	0	60	0.0	-57.95	416.89	11.18	-46.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=C3CCC(C(C)(C)C)CC3)C[C@H]2C1	REAL300005312477	1	60	0.0	-62.71	416.40	11.11	-51.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNN=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005312478	0	47	0.0	-57.22	361.07	7.12	-50.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNN=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005312478	1	47	0.0	-65.52	361.49	7.01	-58.51
CC1=NSC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312479	0	43	0.0	-58.71	341.17	7.23	-51.48
CC1=NSC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312479	1	43	0.0	-63.08	343.63	7.14	-55.94
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005312480	0	50	0.0	-67.25	380.03	8.18	-59.07
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005312480	1	50	0.0	-68.85	380.35	8.02	-60.83
CC1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1=O	REAL300005312481	0	49	0.0	-69.90	357.88	8.09	-61.81
CC1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCC1=O	REAL300005312481	1	49	0.0	-66.12	358.92	8.03	-58.09
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=C1CCC2	REAL300005312482	0	51	0.0	-64.56	375.22	10.48	-54.08
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=C1CCC2	REAL300005312482	1	51	0.0	-65.13	376.06	10.43	-54.70
CC1CC(C)CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312483	0	53	0.0	-45.03	368.91	9.72	-35.31
CC1CC(C)CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005312483	1	53	0.0	-54.46	369.00	9.39	-45.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC(F)=CC(F)=C3)C[C@H]2C1	REAL300005312484	0	45	0.0	-77.09	359.68	9.17	-67.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC(F)=CC(F)=C3)C[C@H]2C1	REAL300005312484	1	45	0.0	-67.31	359.46	9.07	-58.24
CN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005312485	0	48	0.0	-59.75	357.73	7.47	-52.28
CN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005312485	1	48	0.0	-68.85	356.01	7.29	-61.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)CC3)C[C@H]2C1	REAL300005312486	0	53	0.0	-60.36	374.10	9.43	-50.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)CC3)C[C@H]2C1	REAL300005312486	1	53	0.0	-62.46	370.64	9.34	-53.12
COC1=CC(CO)=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312487	0	49	0.0	-71.91	371.37	5.66	-66.25
COC1=CC(CO)=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312487	1	49	0.0	-64.75	372.01	5.57	-59.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H]3CCCC[C@H]3O)C[C@H]2C1	REAL300005312488	0	51	0.0	-72.62	367.37	6.10	-66.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H]3CCCC[C@H]3O)C[C@H]2C1	REAL300005312488	1	51	0.0	-66.92	368.73	6.06	-60.86
CC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1O	REAL300005312489	0	47	0.0	-62.46	356.46	7.25	-55.21
CC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1O	REAL300005312489	1	47	0.0	-70.41	357.38	6.79	-63.62
CCSCC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312490	0	51	0.0	-78.72	391.40	10.69	-68.03
CCSCC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312490	1	51	0.0	-69.93	395.11	10.63	-59.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC4=C3OCO4)C[C@H]2C1	REAL300005312491	0	50	0.0	-76.90	384.26	8.53	-68.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC4=C3OCO4)C[C@H]2C1	REAL300005312491	1	50	0.0	-73.05	385.59	8.47	-64.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CCCC(C)(C)C3)C[C@H]2C1	REAL300005312492	0	54	0.0	-57.83	373.73	7.30	-50.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CCCC(C)(C)C3)C[C@H]2C1	REAL300005312492	1	54	0.0	-64.05	371.32	6.99	-57.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(CCN4C=CC=N4)C=C3)C[C@H]2C1	REAL300005312493	0	51	0.0	-62.71	399.35	8.20	-54.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(CCN4C=CC=N4)C=C3)C[C@H]2C1	REAL300005312493	1	51	0.0	-72.64	399.77	8.07	-64.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3CC(F)F)C[C@H]2C1	REAL300005312494	0	44	0.0	-62.52	341.03	7.26	-55.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3CC(F)F)C[C@H]2C1	REAL300005312494	1	44	0.0	-71.59	340.32	6.92	-64.67
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312495	0	54	0.0	-64.48	392.25	7.02	-57.46
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312495	1	54	0.0	-59.24	390.44	6.33	-52.91
CC1=CC(=O)N(CC(C)(O)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312496	0	54	0.0	-65.89	403.18	6.87	-59.02
CC1=CC(=O)N(CC(C)(O)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312496	1	54	0.0	-60.29	401.33	6.25	-54.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(NC4=CC=CC=C4)SC=N3)C[C@H]2C1	REAL300005312497	0	49	0.0	-73.60	381.70	8.65	-64.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(NC4=CC=CC=C4)SC=N3)C[C@H]2C1	REAL300005312497	1	49	0.0	-68.18	381.19	8.44	-59.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CN=N4)C=C3)C[C@H]2C1	REAL300005312498	0	50	0.0	-80.96	386.96	8.42	-72.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4C=CN=N4)C=C3)C[C@H]2C1	REAL300005312498	1	50	0.0	-62.57	383.62	8.33	-54.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(S(N)(=O)=O)=C3)C[C@H]2C1	REAL300005312499	0	45	0.0	-59.88	358.35	0.94	-58.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(S(N)(=O)=O)=C3)C[C@H]2C1	REAL300005312499	1	45	0.0	-77.75	358.54	0.84	-76.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C4CCCCC4=NN3)C[C@H]2C1	REAL300005312500	0	51	0.0	-71.86	378.41	7.81	-64.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C4CCCCC4=NN3)C[C@H]2C1	REAL300005312500	1	51	0.0	-73.53	381.65	7.75	-65.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=NNC=C43)C[C@H]2C1	REAL300005312501	0	48	0.0	-65.59	357.72	6.96	-58.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=NNC=C43)C[C@H]2C1	REAL300005312501	1	48	0.0	-72.13	357.64	6.93	-65.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C3C=NN4)C[C@H]2C1	REAL300005312501	1	48	0.0	-68.83	357.86	6.93	-61.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C3C=NN4)C[C@H]2C1	REAL300005312501	1	48	0.0	-71.78	356.01	6.97	-64.81
CN1C=CN=C1CN1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005312502	0	59	0.0	-69.88	435.07	8.16	-61.72
CN1C=CN=C1CN1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005312502	1	59	0.0	-76.16	423.58	7.48	-68.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NCCN4C=CN=C4)C=C3)C[C@H]2C1	REAL300005312504	0	56	0.0	-74.00	427.53	10.20	-63.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NCCN4C=CN=C4)C=C3)C[C@H]2C1	REAL300005312504	1	56	0.0	-68.87	427.65	10.11	-58.76
CC1=CN=CC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312505	0	46	0.0	-75.70	348.57	7.78	-67.92
CC1=CN=CC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312505	1	46	0.0	-68.60	346.30	7.88	-60.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCOCC3)C[C@H]2C1	REAL300005312506	0	48	0.0	-68.39	342.63	6.75	-61.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCOCC3)C[C@H]2C1	REAL300005312506	1	48	0.0	-66.63	340.84	6.59	-60.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(O)COCC3=CC=CC=C3)C[C@H]2C1	REAL300005312507	0	55	0.0	-82.56	424.72	7.79	-74.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(O)COCC3=CC=CC=C3)C[C@H]2C1	REAL300005312507	1	55	0.0	-73.69	424.56	7.73	-65.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=CC4=CC=CC=C43)C[C@H]2C1	REAL300005312508	0	49	0.0	-70.23	376.80	9.49	-60.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=CC4=CC=CC=C43)C[C@H]2C1	REAL300005312508	1	49	0.0	-74.47	372.46	9.30	-65.17
CN1C=NC2=CN=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C21	REAL300005312509	0	46	0.0	-59.13	348.76	7.45	-51.68
CN1C=NC2=CN=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C21	REAL300005312509	1	46	0.0	-68.23	349.06	7.33	-60.90
CSC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005312511	0	45	0.0	-73.95	351.82	8.05	-65.90
CSC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005312511	1	45	0.0	-68.41	352.83	8.07	-60.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C3=NC=CC=N3)C[C@H]2C1	REAL300005312512	0	51	0.0	-81.24	383.03	8.20	-73.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C3=NC=CC=N3)C[C@H]2C1	REAL300005312512	1	51	0.0	-77.32	384.77	7.70	-69.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CNC=N3)C[C@H]2C1	REAL300005312513	0	45	0.0	-73.69	343.88	8.02	-65.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CNC=N3)C[C@H]2C1	REAL300005312513	1	45	0.0	-80.76	344.37	7.89	-72.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CN=CN3)C[C@H]2C1	REAL300005312513	1	45	0.0	-65.01	344.85	8.12	-56.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CN=CN3)C[C@H]2C1	REAL300005312513	1	45	0.0	-65.05	345.76	7.93	-57.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NN4C=CN=C4)C=C3)C[C@H]2C1	REAL300005312514	0	50	0.0	-68.51	381.37	9.20	-59.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NN4C=CN=C4)C=C3)C[C@H]2C1	REAL300005312514	1	50	0.0	-63.21	379.98	9.05	-54.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4N=NN=C4N)=C3)C[C@H]2C1	REAL300005312515	0	48	0.0	-74.63	369.63	7.88	-66.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4N=NN=C4N)=C3)C[C@H]2C1	REAL300005312515	1	48	0.0	-89.78	369.53	7.93	-81.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4SC=CC4=CC=N3)C[C@H]2C1	REAL300005312516	0	43	0.0	-61.35	341.18	8.43	-52.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4SC=CC4=CC=N3)C[C@H]2C1	REAL300005312516	1	43	0.0	-70.06	338.06	8.24	-61.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4COCCN34)C[C@H]2C1	REAL300005312517	0	46	0.0	-56.42	343.05	5.69	-50.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4COCCN34)C[C@H]2C1	REAL300005312517	1	46	0.0	-59.76	340.73	5.64	-54.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C4CCCCN4N=C3)C[C@H]2C1	REAL300005312518	0	51	0.0	-80.11	380.32	8.46	-71.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C4CCCCN4N=C3)C[C@H]2C1	REAL300005312518	1	51	0.0	-73.38	381.53	8.42	-64.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005312519	0	50	0.0	-62.96	388.46	10.19	-52.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005312519	1	50	0.0	-65.49	390.60	10.12	-55.37
COC1=CC=C([C@]2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C[C@H](O)C2)C=C1	REAL300005312520	0	56	0.0	-68.88	412.69	6.14	-62.74
COC1=CC=C([C@]2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C[C@H](O)C2)C=C1	REAL300005312520	1	56	0.0	-69.08	415.14	6.18	-62.90
CC1=CN(C(C)(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312521	0	50	0.0	-50.48	361.76	8.75	-41.73
CC1=CN(C(C)(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312521	1	50	0.0	-55.61	357.45	8.76	-46.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CN3)C[C@H]2C1	REAL300005312522	0	43	0.0	-67.18	329.70	7.47	-59.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CN3)C[C@H]2C1	REAL300005312522	1	43	0.0	-66.45	331.84	7.41	-59.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCCCCN34)C[C@H]2C1	REAL300005312524	0	51	0.0	-53.63	365.04	8.40	-45.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCCCCN34)C[C@H]2C1	REAL300005312524	1	51	0.0	-62.84	364.10	8.31	-54.53
CN1CC(O)CC1(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312525	1	50	0.0	-64.50	348.49	2.50	-62.00
CN1CC(O)CC1(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312525	1	50	0.0	-66.61	341.71	1.56	-65.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN([C@@H]4CC[C@H]4O)N=N3)C[C@H]2C1	REAL300005312527	0	48	0.0	-67.24	364.51	3.36	-63.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN([C@@H]4CC[C@H]4O)N=N3)C[C@H]2C1	REAL300005312527	1	48	0.0	-65.85	366.07	3.22	-62.63
COC1=CC(COCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005312528	0	51	0.0	-71.56	400.20	6.24	-65.32
COC1=CC(COCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005312528	1	51	0.0	-74.06	399.35	6.17	-67.89
COC1=CC=C(COCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312529	0	51	0.0	-82.53	399.47	6.21	-76.32
COC1=CC=C(COCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312529	1	51	0.0	-76.20	400.51	6.16	-70.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3=CC(=O)NC=C3)C[C@H]2C1	REAL300005312530	0	48	0.0	-96.74	374.97	6.54	-90.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3=CC(=O)NC=C3)C[C@H]2C1	REAL300005312530	1	48	0.0	-85.15	374.81	6.46	-78.69
CC1CCC2=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN2C1	REAL300005312531	0	51	0.0	-72.09	376.64	9.57	-62.52
CC1CCC2=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN2C1	REAL300005312531	1	51	0.0	-69.85	374.88	9.29	-60.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3=CC=NC=C3)C[C@H]2C1	REAL300005312532	0	50	0.0	-78.92	380.60	9.73	-69.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3=CC=NC=C3)C[C@H]2C1	REAL300005312532	1	50	0.0	-70.44	384.56	9.73	-60.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]2C1	REAL300005312533	1	56	0.0	-76.79	382.93	5.69	-71.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]2C1	REAL300005312533	1	56	0.0	-66.91	385.65	5.67	-61.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]3(C4=CC=CC=C4)C[C@H](O)C3)C[C@H]2C1	REAL300005312534	0	52	0.0	-79.61	381.47	6.97	-72.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]3(C4=CC=CC=C4)C[C@H](O)C3)C[C@H]2C1	REAL300005312534	1	52	0.0	-66.88	379.71	6.87	-60.01
COC1=CN=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005312535	0	47	0.0	-54.65	352.62	6.13	-48.52
COC1=CN=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005312535	1	47	0.0	-71.62	351.43	6.18	-65.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC4=CN=CC=C43)C[C@H]2C1	REAL300005312536	0	49	0.0	-75.65	374.30	9.42	-66.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC4=CN=CC=C43)C[C@H]2C1	REAL300005312536	1	49	0.0	-70.19	375.89	9.36	-60.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4CCOCC4=N3)C[C@H]2C1	REAL300005312537	0	46	0.0	-62.63	346.20	6.56	-56.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4CCOCC4=N3)C[C@H]2C1	REAL300005312537	1	46	0.0	-70.20	348.51	6.44	-63.76
CC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)OC2=C(F)C=C1	REAL300005312539	0	47	0.0	-54.11	368.60	9.54	-44.57
CC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)OC2=C(F)C=C1	REAL300005312539	1	47	0.0	-67.41	365.46	9.33	-58.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@H]2C1	REAL300005312540	0	45	0.0	-85.00	348.94	7.67	-77.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@H]2C1	REAL300005312540	1	45	0.0	-72.90	349.15	7.60	-65.30
CC1=C(C)N2N=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C=C1	REAL300005312541	0	50	0.0	-64.63	373.38	8.90	-55.73
CC1=C(C)N2N=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C=C1	REAL300005312541	1	50	0.0	-72.39	370.30	8.73	-63.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCOC3)C[C@H]2C1	REAL300005312542	0	48	0.0	-77.09	346.30	6.93	-70.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCOC3)C[C@H]2C1	REAL300005312542	1	48	0.0	-66.72	344.92	7.04	-59.68
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312543	0	55	0.0	-75.02	414.52	9.68	-65.34
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312543	1	55	0.0	-72.34	414.76	9.73	-62.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSCC3=CC=CC=N3)C[C@H]2C1	REAL300005312544	0	50	0.0	-62.39	398.12	9.80	-52.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCSCC3=CC=CC=N3)C[C@H]2C1	REAL300005312544	1	50	0.0	-69.70	398.07	9.45	-60.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(N4C=CN=C4)=C3)C[C@H]2C1	REAL300005312545	0	47	0.0	-63.73	360.47	9.64	-54.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(N4C=CN=C4)=C3)C[C@H]2C1	REAL300005312545	1	47	0.0	-77.07	360.02	9.65	-67.42
CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312546	0	42	0.0	-77.03	333.45	1.93	-75.10
CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312546	1	42	0.0	-81.52	333.40	1.58	-79.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]2C1	REAL300005312547	0	51	0.0	-75.94	380.95	4.24	-71.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]2C1	REAL300005312547	1	51	0.0	-81.13	382.09	3.96	-77.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4NC=CC=C34)C[C@H]2C1	REAL300005312548	0	44	0.0	-68.22	334.38	7.62	-60.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4NC=CC=C34)C[C@H]2C1	REAL300005312548	1	44	0.0	-79.28	335.44	7.17	-72.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC4CC4)N=C3)C[C@H]2C1	REAL300005312549	0	49	0.0	-56.02	370.86	7.51	-48.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(NC4CC4)N=C3)C[C@H]2C1	REAL300005312549	1	49	0.0	-63.46	369.46	7.43	-56.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=CN=CO4)=C3)C[C@H]2C1	REAL300005312551	0	47	0.0	-72.22	361.71	6.33	-65.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=CN=CO4)=C3)C[C@H]2C1	REAL300005312551	1	47	0.0	-82.06	362.98	6.42	-75.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(O)=CC(Br)=C3)C[C@H]2C1	REAL300005312552	0	42	0.0	-61.02	339.46	5.70	-55.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(O)=CC(Br)=C3)C[C@H]2C1	REAL300005312552	1	42	0.0	-65.17	339.65	5.58	-59.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Br)=CC=C3F)C[C@H]2C1	REAL300005312553	0	44	0.0	-75.62	363.55	9.72	-65.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Br)=CC=C3F)C[C@H]2C1	REAL300005312553	1	44	0.0	-68.18	360.78	9.80	-58.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4C=CN=C4)=C3)C[C@H]2C1	REAL300005312554	0	48	0.0	-71.88	363.10	10.29	-61.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4C=CN=C4)=C3)C[C@H]2C1	REAL300005312554	1	48	0.0	-72.74	363.53	10.19	-62.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3C(F)(F)F)C[C@H]2C1	REAL300005312555	0	43	0.0	-61.81	339.65	7.25	-54.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3C(F)(F)F)C[C@H]2C1	REAL300005312555	1	43	0.0	-61.47	340.36	7.13	-54.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CNC=N4)C=C3)C[C@H]2C1	REAL300005312556	0	48	0.0	-71.34	368.29	9.21	-62.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CNC=N4)C=C3)C[C@H]2C1	REAL300005312556	1	48	0.0	-76.53	366.73	9.19	-67.34
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=NC2=CC=CC=C21	REAL300005312557	0	50	0.0	-69.71	381.36	10.16	-59.55
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=NC2=CC=CC=C21	REAL300005312557	1	50	0.0	-79.00	379.38	10.00	-69.00
COC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312558	0	43	0.0	-59.05	328.66	2.91	-56.14
COC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312558	1	43	0.0	-67.27	325.69	2.41	-64.86
CC1=CC(=O)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN1	REAL300005312559	0	44	0.0	-76.22	340.97	6.46	-69.76
CC1=CC(=O)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN1	REAL300005312559	1	44	0.0	-98.64	344.33	6.50	-92.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=NNC=N4)C=C3)C[C@H]2C1	REAL300005312560	0	47	0.0	-71.89	364.38	8.86	-63.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=NNC=N4)C=C3)C[C@H]2C1	REAL300005312560	1	47	0.0	-65.15	359.30	8.91	-56.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=NN=CN4)C=C3)C[C@H]2C1	REAL300005312560	1	47	0.0	-64.84	365.00	9.21	-55.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=NN=CN4)C=C3)C[C@H]2C1	REAL300005312560	1	47	0.0	-68.49	357.74	9.25	-59.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=CC=C3F)C[C@H]2C1	REAL300005312561	0	48	0.0	-82.38	375.66	8.09	-74.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=CC=C3F)C[C@H]2C1	REAL300005312561	1	48	0.0	-71.00	372.06	7.95	-63.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4F)NN=C3)C[C@H]2C1	REAL300005312561	1	48	0.0	-63.20	372.70	7.99	-55.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4F)NN=C3)C[C@H]2C1	REAL300005312561	1	48	0.0	-68.99	369.60	7.78	-61.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005312562	0	43	0.0	-58.56	340.99	7.14	-51.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005312562	1	43	0.0	-63.75	341.16	7.02	-56.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005312563	0	43	0.0	-80.61	344.04	7.25	-73.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C(F)(F)F)=C3)C[C@H]2C1	REAL300005312563	1	43	0.0	-67.41	342.54	7.34	-60.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CS4)N3)C[C@H]2C1	REAL300005312564	0	42	0.0	-76.73	331.61	7.51	-69.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CS4)N3)C[C@H]2C1	REAL300005312564	1	42	0.0	-68.14	331.83	7.40	-60.74
CN1N=C2C=CC=CC2=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312565	0	47	0.0	-55.46	366.04	8.18	-47.28
CN1N=C2C=CC=CC2=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312565	1	47	0.0	-63.45	365.75	8.11	-55.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CN4C=CN=C4)=C3)C[C@H]2C1	REAL300005312566	0	51	0.0	-81.98	393.27	11.26	-70.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CN4C=CN=C4)=C3)C[C@H]2C1	REAL300005312566	1	51	0.0	-71.73	390.87	11.10	-60.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC4=CC=C(F)C=C43)C[C@H]2C1	REAL300005312567	0	47	0.0	-77.10	371.10	7.21	-69.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC4=CC=C(F)C=C43)C[C@H]2C1	REAL300005312567	1	47	0.0	-72.87	370.93	7.13	-65.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(N4CCCCC4)=N3)C[C@H]2C1	REAL300005312568	0	52	0.0	-70.14	393.62	8.33	-61.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(N4CCCCC4)=N3)C[C@H]2C1	REAL300005312568	1	52	0.0	-68.20	394.08	8.33	-59.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4SC=CC4=CC=C3)C[C@H]2C1	REAL300005312569	0	44	0.0	-86.16	344.28	9.31	-76.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4SC=CC4=CC=C3)C[C@H]2C1	REAL300005312569	1	44	0.0	-67.69	344.28	9.21	-58.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(F)=CC=C4N=C3)C[C@H]2C1	REAL300005312570	0	46	0.0	-77.50	357.70	8.45	-69.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC(F)=CC=C4N=C3)C[C@H]2C1	REAL300005312570	1	46	0.0	-62.36	359.19	8.40	-53.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCCO3)C[C@H]2C1	REAL300005312571	0	48	0.0	-56.95	339.03	7.22	-49.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCCO3)C[C@H]2C1	REAL300005312571	1	48	0.0	-53.45	335.15	7.06	-46.39
CC1=CC=C(O)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312572	0	45	0.0	-59.76	341.25	5.83	-53.93
CC1=CC=C(O)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312572	1	45	0.0	-71.44	338.89	5.81	-65.63
CC1=NC2=CC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2N1	REAL300005312573	0	47	0.0	-60.28	358.73	7.86	-52.42
CC1=NC2=CC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2N1	REAL300005312573	1	47	0.0	-67.36	359.80	7.43	-59.93
CC1=NC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C2N1	REAL300005312573	1	47	0.0	-81.13	357.01	7.50	-73.63
CC1=NC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C2N1	REAL300005312573	1	47	0.0	-69.35	358.92	7.47	-61.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=NN4C=C3)C[C@H]2C1	REAL300005312574	0	43	0.0	-56.80	334.07	7.79	-49.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=NN4C=C3)C[C@H]2C1	REAL300005312574	1	43	0.0	-67.03	330.93	7.57	-59.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN=CC=N3)C[C@H]2C1	REAL300005312575	0	45	0.0	-72.40	347.16	6.24	-66.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN=CC=N3)C[C@H]2C1	REAL300005312575	1	45	0.0	-69.26	347.36	6.29	-62.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCN3C=NC=N3)C[C@H]2C1	REAL300005312576	0	46	0.0	-85.61	355.45	9.28	-76.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCN3C=NC=N3)C[C@H]2C1	REAL300005312576	1	46	0.0	-80.97	355.63	9.33	-71.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=NC=C4C=C3)C[C@H]2C1	REAL300005312577	0	46	0.0	-66.85	350.20	8.44	-58.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=NC=C4C=C3)C[C@H]2C1	REAL300005312577	1	46	0.0	-75.24	349.44	8.51	-66.73
CN1CCC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005312578	0	50	0.0	-68.05	366.44	7.81	-60.24
CN1CCC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005312578	1	50	0.0	-62.93	369.83	7.75	-55.18
CCC(C)OC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312579	0	54	0.0	-67.36	400.29	9.71	-57.65
CCC(C)OC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312579	1	54	0.0	-68.76	394.68	9.42	-59.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3CCOCC3)C[C@H]2C1	REAL300005312580	0	49	0.0	-71.08	352.67	4.81	-66.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3CCOCC3)C[C@H]2C1	REAL300005312580	1	49	0.0	-60.35	345.87	4.63	-55.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4CCCCC43)C[C@H]2C1	REAL300005312581	0	57	0.0	-72.87	391.31	10.60	-62.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4CCCCC43)C[C@H]2C1	REAL300005312581	1	57	0.0	-63.69	389.36	10.57	-53.12
C=CCSC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312582	0	49	0.0	-68.70	383.15	10.47	-58.23
C=CCSC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312582	1	49	0.0	-65.59	383.50	10.34	-55.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(S(C)=O)C=C3)C[C@H]2C1	REAL300005312583	0	49	0.0	-79.55	390.30	7.66	-71.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(S(C)=O)C=C3)C[C@H]2C1	REAL300005312583	1	49	0.0	-74.96	390.53	7.63	-67.33
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005312584	0	50	0.0	-70.29	379.07	10.27	-60.02
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005312584	1	50	0.0	-66.17	380.87	10.15	-56.02
C#CCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCC1	REAL300005312585	0	52	0.0	-65.29	367.50	9.58	-55.71
C#CCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCC1	REAL300005312585	1	52	0.0	-63.20	364.57	9.44	-53.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCC(O)CC3)C[C@H]2C1	REAL300005312586	0	57	0.0	-72.73	384.24	6.40	-66.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCC(O)CC3)C[C@H]2C1	REAL300005312586	1	57	0.0	-61.19	381.13	6.52	-54.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4CCCCC4)=N3)C[C@H]2C1	REAL300005312587	0	53	0.0	-68.48	393.47	7.74	-60.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(C4CCCCC4)=N3)C[C@H]2C1	REAL300005312587	1	53	0.0	-66.12	391.63	7.42	-58.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C(C)(C)C)C3)C[C@H]2C1	REAL300005312588	0	53	0.0	-72.86	376.85	9.56	-63.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C(C)(C)C)C3)C[C@H]2C1	REAL300005312588	1	53	0.0	-69.68	376.78	9.60	-60.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(O)CCC3=CC=CC=C3)C[C@H]2C1	REAL300005312589	0	54	0.0	-59.08	402.91	8.11	-50.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(O)CCC3=CC=CC=C3)C[C@H]2C1	REAL300005312589	1	54	0.0	-62.90	401.35	8.01	-54.89
COC1CCCCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312590	0	51	0.0	-62.56	372.14	7.54	-55.02
COC1CCCCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312590	1	51	0.0	-66.73	368.94	7.64	-59.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(C)(C)C)N=C3)C[C@H]2C1	REAL300005312591	0	51	0.0	-58.57	378.50	8.20	-50.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(C)(C)C)N=C3)C[C@H]2C1	REAL300005312591	1	51	0.0	-66.83	375.54	7.68	-59.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3N3C=CN=N3)C[C@H]2C1	REAL300005312592	0	47	0.0	-94.12	360.77	8.07	-86.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3N3C=CN=N3)C[C@H]2C1	REAL300005312592	1	47	0.0	-74.67	357.03	7.87	-66.80
CCOC1=CN=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312593	0	46	0.0	-70.94	352.93	4.66	-66.28
CCOC1=CN=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312593	1	46	0.0	-64.28	355.88	4.53	-59.75
CCN1N=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312594	0	46	0.0	-70.94	349.63	6.17	-64.77
CCN1N=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312594	1	46	0.0	-66.70	351.47	5.99	-60.71
COCC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312595	0	44	0.0	-67.31	350.17	4.86	-62.45
COCC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312595	1	44	0.0	-67.28	350.42	4.91	-62.37
CC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312596	0	47	0.0	-70.91	370.31	9.76	-61.15
CC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312596	1	47	0.0	-67.71	370.49	9.81	-57.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCSC(C)(C)C)C[C@H]2C1	REAL300005312597	0	53	0.0	-75.77	399.35	10.08	-65.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCSC(C)(C)C)C[C@H]2C1	REAL300005312597	1	53	0.0	-71.59	399.54	10.11	-61.48
COC1CCC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005312598	0	54	0.0	-64.07	390.37	8.36	-55.71
COC1CCC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005312598	1	54	0.0	-70.09	389.27	8.39	-61.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@H]3CCCC[C@@H]3O)C[C@H]2C1	REAL300005312599	0	51	0.0	-75.63	367.27	6.06	-69.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@H]3CCCC[C@@H]3O)C[C@H]2C1	REAL300005312599	1	51	0.0	-70.41	367.74	6.01	-64.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3S(C)=O)C[C@H]2C1	REAL300005312600	0	49	0.0	-73.00	377.31	8.37	-64.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3S(C)=O)C[C@H]2C1	REAL300005312600	1	49	0.0	-83.08	377.18	8.23	-74.85
CC1=NC(N)=NC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312602	0	47	0.0	-59.64	361.53	6.68	-52.96
CC1=NC(N)=NC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312602	1	47	0.0	-60.90	358.79	6.55	-54.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CCSCC3)C[C@H]2C1	REAL300005312603	0	46	0.0	-60.91	340.24	5.74	-55.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CCSCC3)C[C@H]2C1	REAL300005312603	1	46	0.0	-69.29	340.69	5.38	-63.91
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(=O)N1	REAL300005312604	0	50	0.0	-65.97	383.25	7.21	-58.76
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(=O)N1	REAL300005312604	1	50	0.0	-76.46	383.32	7.09	-69.37
CC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005312605	0	50	0.0	-78.05	385.36	10.20	-67.85
CC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005312605	1	50	0.0	-72.05	386.06	10.17	-61.88
CC(C)OC1=NC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312606	0	50	0.0	-87.62	376.41	7.57	-80.05
CC(C)OC1=NC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312606	1	50	0.0	-68.56	375.98	7.12	-61.44
CC1=C(CO)C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312607	0	45	0.0	-63.08	348.20	4.62	-58.46
CC1=C(CO)C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312607	1	45	0.0	-72.35	345.08	4.43	-67.92
CC1=CC=CC2=C1OC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)C2	REAL300005312608	0	49	0.0	-78.68	368.69	9.83	-68.85
CC1=CC=CC2=C1OC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)C2	REAL300005312608	1	49	0.0	-69.61	368.98	9.74	-59.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCS(N)(=O)=O)C[C@H]2C1	REAL300005312609	0	51	0.0	-77.80	398.24	3.83	-73.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCS(N)(=O)=O)C[C@H]2C1	REAL300005312609	1	51	0.0	-82.23	398.19	3.47	-78.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCC4=CC=CC=C4C3)C[C@H]2C1	REAL300005312610	0	54	0.0	-63.60	384.05	10.82	-52.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCC4=CC=CC=C4C3)C[C@H]2C1	REAL300005312610	1	54	0.0	-67.76	382.03	10.76	-57.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCC4)N3)C[C@H]2C1	REAL300005312611	0	46	0.0	-63.66	340.33	8.18	-55.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCC4)N3)C[C@H]2C1	REAL300005312611	1	46	0.0	-69.40	340.75	8.06	-61.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CNC=N3)C[C@H]2C1	REAL300005312612	0	42	0.0	-64.72	326.43	7.32	-57.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CNC=N3)C[C@H]2C1	REAL300005312612	1	42	0.0	-67.97	328.58	7.26	-60.71
CC(C)OC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005312613	0	50	0.0	-65.34	375.76	6.88	-58.46
CC(C)OC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300005312613	1	50	0.0	-65.23	376.71	6.43	-58.80
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=CS1	REAL300005312614	0	46	0.0	-57.44	354.74	7.96	-49.48
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=CS1	REAL300005312614	1	46	0.0	-66.26	355.16	7.85	-58.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=C3CCSCC3)C[C@H]2C1	REAL300005312615	0	46	0.0	-60.90	347.26	9.15	-51.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=C3CCSCC3)C[C@H]2C1	REAL300005312615	1	46	0.0	-63.07	347.14	8.59	-54.48
CC(C)N1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312616	0	47	0.0	-55.47	354.07	7.15	-48.32
CC(C)N1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312616	1	47	0.0	-67.59	352.66	7.03	-60.56
COC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005312617	0	49	0.0	-59.12	343.22	5.17	-53.95
COC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005312617	1	49	0.0	-63.39	338.24	5.08	-58.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=NNC=C4C3)C[C@H]2C1	REAL300005312618	0	48	0.0	-67.13	356.07	7.02	-60.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=NNC=C4C3)C[C@H]2C1	REAL300005312618	1	48	0.0	-73.98	351.49	6.89	-67.09
COC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC(=O)NC1=O	REAL300005312619	0	45	0.0	-60.68	346.38	3.99	-56.69
COC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC(=O)NC1=O	REAL300005312619	1	45	0.0	-67.09	346.84	3.87	-63.22
CCCC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005312620	0	46	0.0	-69.33	352.52	6.01	-63.32
CCCC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005312620	1	46	0.0	-66.06	354.18	5.79	-60.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CC4)S3)C[C@H]2C1	REAL300005312621	0	45	0.0	-77.34	349.79	9.21	-68.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CC4)S3)C[C@H]2C1	REAL300005312621	1	45	0.0	-66.89	351.37	9.30	-57.59
CCCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300005312622	0	50	0.0	-61.03	383.34	10.84	-50.19
CCCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300005312622	1	50	0.0	-65.98	384.31	10.37	-55.61
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1C	REAL300005312623	0	47	0.0	-70.82	358.81	9.60	-61.22
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1C	REAL300005312623	1	47	0.0	-65.86	361.94	9.58	-56.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C3CCCCC3)C[C@H]2C1	REAL300005312624	0	59	0.0	-70.43	399.41	10.67	-59.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C3CCCCC3)C[C@H]2C1	REAL300005312624	1	59	0.0	-67.00	399.59	10.73	-56.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4CCC4)=C3)C[C@H]2C1	REAL300005312625	0	51	0.0	-78.34	375.10	10.56	-67.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4CCC4)=C3)C[C@H]2C1	REAL300005312625	1	51	0.0	-68.32	373.32	10.41	-57.91
CC1CCC(C)(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1(C)C	REAL300005312626	0	60	0.0	-59.35	417.28	10.97	-48.38
CC1CCC(C)(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1(C)C	REAL300005312626	1	60	0.0	-64.00	417.17	10.89	-53.11
CN1C=NC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312627	0	44	0.0	-77.12	336.29	8.15	-68.97
CN1C=NC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312627	1	44	0.0	-70.65	337.87	8.09	-62.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=CC=C4N=C3)C[C@H]2C1	REAL300005312628	0	44	0.0	-76.49	334.10	6.23	-70.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=CC=C4N=C3)C[C@H]2C1	REAL300005312628	1	44	0.0	-77.68	333.67	6.21	-71.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CSC=C3)C[C@H]2C1	REAL300005312629	0	42	0.0	-63.58	338.24	7.98	-55.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CSC=C3)C[C@H]2C1	REAL300005312629	1	42	0.0	-67.63	337.54	7.92	-59.71
CCCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312630	0	49	0.0	-60.30	370.08	5.98	-54.32
CCCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312630	1	49	0.0	-57.03	370.05	5.98	-51.05
CCN1C=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312632	0	44	0.0	-59.46	337.24	8.92	-50.54
CCN1C=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312632	1	44	0.0	-69.52	337.67	8.80	-60.72
CC(OC1=CC=CC=N1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312633	0	47	0.0	-75.28	359.21	7.12	-68.16
CC(OC1=CC=CC=N1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312633	1	47	0.0	-74.43	356.12	6.94	-67.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4COCC4=C3)C[C@H]2C1	REAL300005312634	0	49	0.0	-66.07	374.45	8.39	-57.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4COCC4=C3)C[C@H]2C1	REAL300005312634	1	49	0.0	-65.62	372.63	8.35	-57.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(NC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005312635	0	50	0.0	-72.00	376.85	8.87	-63.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(NC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005312635	1	50	0.0	-64.98	377.11	8.95	-56.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CO)C(F)=C3)C[C@H]2C1	REAL300005312636	0	45	0.0	-64.84	343.64	5.48	-59.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CO)C(F)=C3)C[C@H]2C1	REAL300005312636	1	45	0.0	-71.19	344.74	5.54	-65.65
CCCCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312637	0	51	0.0	-66.73	399.45	4.03	-62.70
CCCCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312637	1	51	0.0	-70.64	395.59	3.87	-66.77
COC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005312638	0	45	0.0	-66.90	344.65	4.99	-61.91
COC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005312638	1	45	0.0	-73.28	344.19	4.99	-68.29
CN1N=NC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C21	REAL300005312639	0	46	0.0	-70.82	350.18	6.47	-64.35
CN1N=NC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C21	REAL300005312639	1	46	0.0	-72.52	350.36	6.35	-66.17
CC1=C(CCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005312640	0	50	0.0	-75.75	388.32	10.30	-65.45
CC1=C(CCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005312640	1	50	0.0	-71.91	388.65	10.35	-61.56
CNC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005312642	0	46	0.0	-59.74	347.39	6.81	-52.93
CNC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005312642	1	46	0.0	-77.86	348.51	6.88	-70.98
CC(OCC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312643	0	51	0.0	-79.03	392.86	10.02	-69.01
CC(OCC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312643	1	51	0.0	-69.20	394.93	10.00	-59.20
CC(C)C1=CC=C2OC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005312644	0	53	0.0	-82.94	399.61	10.43	-72.51
CC(C)C1=CC=C2OC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005312644	1	53	0.0	-77.64	395.85	10.32	-67.32
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(CC2CC2)=N1	REAL300005312645	0	50	0.0	-70.01	381.74	6.80	-63.21
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(CC2CC2)=N1	REAL300005312645	1	50	0.0	-66.40	379.04	6.58	-59.82
CCOCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312646	0	50	0.0	-58.00	388.22	6.96	-51.04
CCOCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312646	1	50	0.0	-66.43	389.28	6.49	-59.94
C=C(C)C(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)OCC	REAL300005312647	0	51	0.0	-59.69	386.74	8.90	-50.79
C=C(C)C(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)OCC	REAL300005312647	1	51	0.0	-66.84	385.44	8.79	-58.05
CC1=NC2=CC=CC=C2C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312648	0	49	0.0	-71.28	368.35	8.98	-62.30
CC1=NC2=CC=CC=C2C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312648	1	49	0.0	-57.58	369.46	8.97	-48.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC(OC(C)(C)C)=N3)C[C@H]2C1	REAL300005312649	0	59	0.0	-61.25	436.50	10.45	-50.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CC(OC(C)(C)C)=N3)C[C@H]2C1	REAL300005312649	1	59	0.0	-66.44	437.59	10.00	-56.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C3=CC=CC=C3)C[C@H]2C1	REAL300005312650	0	53	0.0	-77.61	388.99	8.99	-68.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C3=CC=CC=C3)C[C@H]2C1	REAL300005312650	1	53	0.0	-65.48	384.91	8.37	-57.11
CC1=NSC(NC2CC2)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312651	0	49	0.0	-57.98	389.85	7.12	-50.86
CC1=NSC(NC2CC2)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312651	1	49	0.0	-67.49	387.47	7.23	-60.26
CCN1N=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)N=C21	REAL300005312652	0	52	0.0	-78.63	394.83	8.64	-69.99
CCN1N=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)N=C21	REAL300005312652	1	52	0.0	-76.40	394.27	8.69	-67.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=CC=N3)C[C@H]2C1	REAL300005312653	0	47	0.0	-54.58	358.75	6.97	-47.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=CC=N3)C[C@H]2C1	REAL300005312653	1	47	0.0	-67.20	362.69	6.94	-60.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=N4)NN=C3)C[C@H]2C1	REAL300005312653	1	47	0.0	-68.96	358.67	7.01	-61.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=N4)NN=C3)C[C@H]2C1	REAL300005312653	1	47	0.0	-66.13	360.84	6.94	-59.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)N=CO3)C[C@H]2C1	REAL300005312654	0	47	0.0	-76.37	361.02	6.64	-69.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4)N=CO3)C[C@H]2C1	REAL300005312654	1	47	0.0	-69.09	364.71	6.54	-62.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(O)(C4=CC=CC(Cl)=C4)C3)C[C@H]2C1	REAL300005312655	0	52	0.0	-66.04	401.99	9.39	-56.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(O)(C4=CC=CC(Cl)=C4)C3)C[C@H]2C1	REAL300005312655	1	52	0.0	-71.30	402.41	8.04	-63.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC(C(F)F)=N3)C[C@H]2C1	REAL300005312656	0	44	0.0	-89.50	352.75	7.34	-82.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC(C(F)F)=N3)C[C@H]2C1	REAL300005312656	1	44	0.0	-76.50	353.08	7.26	-69.24
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1N=NN=C1C(C)(C)C	REAL300005312657	0	54	0.0	-79.34	397.08	7.53	-71.81
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1N=NN=C1C(C)(C)C	REAL300005312657	1	54	0.0	-77.08	393.89	7.10	-69.98
CN1C=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312658	0	46	0.0	-65.82	353.33	9.30	-56.52
CN1C=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312658	1	46	0.0	-70.38	352.35	9.11	-61.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005312659	0	43	0.0	-71.61	344.06	8.33	-63.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005312659	1	43	0.0	-71.56	342.06	7.41	-64.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=NC4=CC=CC=C43)C[C@H]2C1	REAL300005312660	0	47	0.0	-76.00	363.50	10.13	-65.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=NC4=CC=CC=C43)C[C@H]2C1	REAL300005312660	1	47	0.0	-76.19	363.36	10.01	-66.18
CCC1=NC2=CC=CC=C2N1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312661	0	53	0.0	-74.40	404.20	10.49	-63.91
CCC1=NC2=CC=CC=C2N1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312661	1	53	0.0	-72.80	400.39	10.50	-62.30
CC(C)C(NS(C)(=O)=O)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312662	0	51	0.0	-69.17	386.80	3.56	-65.61
CC(C)C(NS(C)(=O)=O)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312662	1	51	0.0	-66.81	389.80	3.38	-63.43
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCC2=CC=CC=C21	REAL300005312663	0	53	0.0	-60.61	379.99	8.76	-51.85
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CCC2=CC=CC=C21	REAL300005312663	1	53	0.0	-71.66	377.23	8.23	-63.43
CN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1N1C=NN=C1	REAL300005312664	0	47	0.0	-60.77	361.99	9.21	-51.56
CN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1N1C=NN=C1	REAL300005312664	1	47	0.0	-71.55	353.46	8.83	-62.72
CC1=CC=C(N2C=NN=C2)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312665	0	50	0.0	-85.41	382.19	11.75	-73.66
CC1=CC=C(N2C=NN=C2)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312665	1	50	0.0	-76.39	386.29	11.80	-64.59
CN(C)C1=NOC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312666	0	50	0.0	-72.97	386.10	7.72	-65.25
CN(C)C1=NOC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312666	1	50	0.0	-69.96	385.82	7.82	-62.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC=N3)C[C@H]2C1	REAL300005312667	0	49	0.0	-70.87	358.53	8.33	-62.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=CC=N3)C[C@H]2C1	REAL300005312667	1	49	0.0	-63.84	358.25	8.17	-55.67
CCN1C=CN=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312668	0	44	0.0	-55.47	332.71	8.09	-47.38
CCN1C=CN=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312668	1	44	0.0	-67.45	329.63	7.90	-59.55
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312669	0	48	0.0	-76.64	366.92	8.04	-68.60
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312669	1	48	0.0	-71.88	365.37	7.88	-64.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4)=CC=N3)C[C@H]2C1	REAL300005312670	0	50	0.0	-64.34	379.53	10.52	-53.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4)=CC=N3)C[C@H]2C1	REAL300005312670	1	50	0.0	-69.52	378.08	10.32	-59.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CN4C=N3)C[C@H]2C1	REAL300005312671	0	44	0.0	-63.44	338.57	10.37	-53.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CN4C=N3)C[C@H]2C1	REAL300005312671	1	44	0.0	-71.20	335.43	10.15	-61.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CC=C3)C[C@H]2C1	REAL300005312672	0	45	0.0	-74.44	338.67	6.82	-67.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CC=C3)C[C@H]2C1	REAL300005312672	1	45	0.0	-63.85	331.10	6.76	-57.09
CCN(CC)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312673	0	55	0.0	-69.26	404.24	10.30	-58.96
CCN(CC)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312673	1	55	0.0	-70.41	398.73	10.01	-60.40
CN(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1	REAL300005312674	0	49	0.0	-78.94	360.39	8.36	-70.58
CN(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1	REAL300005312674	1	49	0.0	-75.85	359.13	8.40	-67.45
CNC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312675	0	46	0.0	-62.58	343.11	7.13	-55.45
CNC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312675	1	46	0.0	-64.17	343.32	7.01	-57.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC(=O)C=C3)C[C@H]2C1	REAL300005312676	0	41	0.0	-73.88	319.83	5.13	-68.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC(=O)C=C3)C[C@H]2C1	REAL300005312676	1	41	0.0	-67.18	318.93	5.01	-62.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3O)C[C@H]2C1	REAL300005312677	0	46	0.0	-67.47	358.18	6.70	-60.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3O)C[C@H]2C1	REAL300005312677	1	46	0.0	-72.27	357.38	6.64	-65.63
CCC1=NC2=CC=CC=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005312678	0	55	0.0	-59.01	412.17	10.24	-48.77
CCC1=NC2=CC=CC=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005312678	1	55	0.0	-66.91	415.25	10.17	-56.74
CC1=CC=C(S(=O)(=O)NCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312679	0	52	0.0	-70.86	411.28	5.46	-65.40
CC1=CC=C(S(=O)(=O)NCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312679	1	52	0.0	-68.30	413.37	5.38	-62.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4N=CSC4=C3)C[C@H]2C1	REAL300005312680	0	43	0.0	-63.64	338.16	7.31	-56.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4N=CSC4=C3)C[C@H]2C1	REAL300005312680	1	43	0.0	-73.98	339.37	7.37	-66.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3NC3=CC=CC=C3F)C[C@H]2C1	REAL300005312681	0	52	0.0	-83.51	403.75	10.72	-72.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3NC3=CC=CC=C3F)C[C@H]2C1	REAL300005312681	1	52	0.0	-82.41	401.50	10.83	-71.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCS(=O)(=O)N3CCCC3)C[C@H]2C1	REAL300005312682	0	55	0.0	-77.49	422.73	6.46	-71.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCS(=O)(=O)N3CCCC3)C[C@H]2C1	REAL300005312682	1	55	0.0	-81.10	422.69	6.11	-74.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCN3C=CC=N3)C[C@H]2C1	REAL300005312683	0	47	0.0	-83.53	360.68	7.85	-75.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCN3C=CC=N3)C[C@H]2C1	REAL300005312683	1	47	0.0	-79.11	360.87	7.89	-71.22
CC1=C(C)SC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312684	0	43	0.0	-69.45	338.59	7.28	-62.17
CC1=C(C)SC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312684	1	43	0.0	-72.36	331.80	6.25	-66.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CO)=C3)C[C@H]2C1	REAL300005312685	0	45	0.0	-69.48	341.33	5.27	-64.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CO)=C3)C[C@H]2C1	REAL300005312685	1	45	0.0	-77.34	341.23	5.34	-72.00
CC1=NN=C2CCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CN12	REAL300005312686	0	50	0.0	-78.77	368.00	8.70	-70.07
CC1=NN=C2CCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CN12	REAL300005312686	1	50	0.0	-73.92	367.09	8.72	-65.20
CCN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312687	0	52	0.0	-74.41	384.94	10.13	-64.28
CCN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312687	1	52	0.0	-66.19	382.36	10.27	-55.92
CN(C)C1=NC2=C(C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)S1	REAL300005312688	0	48	0.0	-67.75	388.08	8.30	-59.45
CN(C)C1=NC2=C(C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)S1	REAL300005312688	1	48	0.0	-68.33	387.63	8.34	-59.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC4=NC=CN=C34)C[C@H]2C1	REAL300005312692	0	45	0.0	-62.25	353.03	6.77	-55.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC4=NC=CN=C34)C[C@H]2C1	REAL300005312692	1	45	0.0	-66.89	353.31	6.68	-60.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(N4CCCCC4)=N3)C[C@H]2C1	REAL300005312693	0	54	0.0	-59.98	397.40	9.75	-50.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(N4CCCCC4)=N3)C[C@H]2C1	REAL300005312693	1	54	0.0	-68.09	394.59	9.52	-58.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCC4)N3)C[C@H]2C1	REAL300005312694	0	49	0.0	-78.46	357.83	8.73	-69.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCC4)N3)C[C@H]2C1	REAL300005312694	1	49	0.0	-69.22	358.64	8.61	-60.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCOC3)C[C@H]2C1	REAL300005312695	0	46	0.0	-66.61	346.47	6.77	-59.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCOC3)C[C@H]2C1	REAL300005312695	1	46	0.0	-68.19	347.92	6.70	-61.49
COC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=NN1C	REAL300005312696	0	48	0.0	-59.77	373.22	5.50	-54.27
COC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=NN1C	REAL300005312696	1	48	0.0	-71.44	374.10	5.53	-65.91
CC1=CC=C(N2CCCC2)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312697	0	56	0.0	-68.54	400.43	9.48	-59.06
CC1=CC=C(N2CCCC2)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312697	1	56	0.0	-65.32	403.64	9.28	-56.04
CC1=CC=C(N2C=CN=C2)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312698	0	51	0.0	-84.39	388.22	11.05	-73.34
CC1=CC=C(N2C=CN=C2)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312698	1	51	0.0	-81.71	388.54	11.15	-70.56
CC1=CC=C(NC2=CC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)N=N1	REAL300005312699	0	54	0.0	-74.49	411.20	9.58	-64.91
CC1=CC=C(NC2=CC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)N=N1	REAL300005312699	1	54	0.0	-78.43	409.25	8.94	-69.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=CN=CN43)C[C@H]2C1	REAL300005312700	0	41	0.0	-57.06	334.31	8.53	-48.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=CN=CN43)C[C@H]2C1	REAL300005312700	1	41	0.0	-75.60	333.67	8.54	-67.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCOCC3)C[C@H]2C1	REAL300005312701	0	49	0.0	-66.32	366.16	6.72	-59.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCOCC3)C[C@H]2C1	REAL300005312701	1	49	0.0	-69.50	365.44	6.68	-62.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCC(O)CC4)C=C3)C[C@H]2C1	REAL300005312702	0	57	0.0	-78.44	413.77	5.91	-72.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(N4CCC(O)CC4)C=C3)C[C@H]2C1	REAL300005312702	1	57	0.0	-69.19	411.35	5.74	-63.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC(F)=C3N)C[C@H]2C1	REAL300005312703	0	43	0.0	-58.52	345.38	6.77	-51.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CC(F)=C3N)C[C@H]2C1	REAL300005312703	1	43	0.0	-63.10	342.16	6.53	-56.57
CC(OCCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312704	0	54	0.0	-65.55	408.20	11.11	-54.44
CC(OCCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312704	1	54	0.0	-69.12	408.92	10.65	-58.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CN=C3C3CC3)C[C@H]2C1	REAL300005312705	0	46	0.0	-72.37	348.50	8.29	-64.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CN=C3C3CC3)C[C@H]2C1	REAL300005312705	1	46	0.0	-70.44	346.75	8.13	-62.31
CC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005312706	0	49	0.0	-72.52	370.33	8.24	-64.28
CC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005312706	1	49	0.0	-70.76	368.58	8.07	-62.69
CN1C=NC=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312707	0	47	0.0	-75.61	358.74	9.00	-66.61
CN1C=NC=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312707	1	47	0.0	-72.95	358.16	9.02	-63.93
CC(C)CC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005312708	0	56	0.0	-59.58	379.06	10.47	-49.11
CC(C)CC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005312708	1	56	0.0	-71.09	378.29	9.56	-61.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3(C)CCOCC3)C[C@H]2C1	REAL300005312709	0	52	0.0	-66.96	372.14	7.74	-59.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3(C)CCOCC3)C[C@H]2C1	REAL300005312709	1	52	0.0	-68.61	371.48	7.56	-61.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(S(C)(=O)=O)CC3)C[C@H]2C1	REAL300005312710	0	44	0.0	-51.58	342.93	4.59	-46.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(S(C)(=O)=O)CC3)C[C@H]2C1	REAL300005312710	1	44	0.0	-60.78	341.28	4.42	-56.36
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300005312711	0	53	0.0	-72.75	388.78	8.13	-64.62
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300005312711	1	53	0.0	-73.09	380.79	8.19	-64.90
CC(C)C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CN=C1	REAL300005312712	0	52	0.0	-64.01	387.66	8.79	-55.22
CC(C)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CN=C1	REAL300005312712	1	52	0.0	-76.99	386.85	8.83	-68.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC=CN3)C[C@H]2C1	REAL300005312713	0	42	0.0	-62.54	327.08	6.52	-56.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC=CN3)C[C@H]2C1	REAL300005312713	1	42	0.0	-65.37	329.23	6.44	-58.93
CC1=CC(F)=CC(N2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)=C1	REAL300005312714	0	50	0.0	-67.65	393.65	9.00	-58.65
CC1=CC(F)=CC(N2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)=C1	REAL300005312714	1	50	0.0	-65.01	395.40	8.87	-56.14
COC(C)(C)C1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312715	0	53	0.0	-55.15	399.57	7.14	-48.01
COC(C)(C)C1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312715	1	53	0.0	-65.83	400.63	6.67	-59.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=NC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005312716	0	50	0.0	-90.35	392.67	10.79	-79.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=NC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005312716	1	50	0.0	-81.25	393.90	10.74	-70.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(N4CCOCC4)=NC=N3)C[C@H]2C1	REAL300005312717	0	52	0.0	-57.70	388.87	6.90	-50.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(N4CCOCC4)=NC=N3)C[C@H]2C1	REAL300005312717	1	52	0.0	-66.96	388.19	6.91	-60.05
COCC(C)C(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312719	0	50	0.0	-63.29	364.35	6.85	-56.44
COCC(C)C(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312719	1	50	0.0	-68.59	366.77	6.75	-61.84
CCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCC(C)CC1	REAL300005312720	0	59	0.0	-63.30	404.78	10.72	-52.58
CCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCC(C)CC1	REAL300005312720	1	59	0.0	-65.30	405.86	10.57	-54.73
COCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005312721	0	55	0.0	-67.66	414.97	8.79	-58.87
COCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005312721	1	55	0.0	-74.71	414.48	8.85	-65.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)C=NN3)C[C@H]2C1	REAL300005312722	0	41	0.0	-64.17	332.57	5.55	-58.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)C=NN3)C[C@H]2C1	REAL300005312722	1	41	0.0	-71.76	325.56	5.95	-65.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC=C3C(F)(F)F)C[C@H]2C1	REAL300005312722	1	41	0.0	-76.83	327.69	6.11	-70.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC=C3C(F)(F)F)C[C@H]2C1	REAL300005312722	1	41	0.0	-66.56	324.65	6.18	-60.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC(C4CC4)=C3)C[C@H]2C1	REAL300005312723	0	48	0.0	-65.53	372.24	7.46	-58.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC(C4CC4)=C3)C[C@H]2C1	REAL300005312723	1	48	0.0	-76.07	372.57	7.35	-68.72
CC(=O)C1=CN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312724	0	45	0.0	-86.17	356.64	5.57	-80.60
CC(=O)C1=CN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312724	1	45	0.0	-76.01	355.14	5.64	-70.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C(F)(F)F)CC3)C[C@H]2C1	REAL300005312725	0	44	0.0	-67.80	343.20	8.44	-59.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C(F)(F)F)CC3)C[C@H]2C1	REAL300005312725	1	44	0.0	-70.17	339.69	8.49	-61.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=CC=NN43)C[C@H]2C1	REAL300005312726	0	43	0.0	-86.07	338.77	7.02	-79.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=CC=NN43)C[C@H]2C1	REAL300005312726	1	43	0.0	-65.37	336.42	6.87	-58.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4CCC3O4)C[C@H]2C1	REAL300005312727	0	49	0.0	-64.15	355.47	7.36	-56.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4CCC3O4)C[C@H]2C1	REAL300005312727	1	49	0.0	-68.53	356.50	7.24	-61.29
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CN1	REAL300005312728	0	45	0.0	-65.72	334.06	7.23	-58.49
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CN1	REAL300005312728	1	45	0.0	-66.15	334.69	7.40	-58.75
CC1=CC2=C(C)C=CN=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312729	0	52	0.0	-78.32	388.33	9.85	-68.47
CC1=CC2=C(C)C=CN=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312729	1	52	0.0	-71.82	387.59	9.65	-62.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CN=C4)N=C3)C[C@H]2C1	REAL300005312730	0	47	0.0	-64.36	363.05	7.39	-56.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CN=C4)N=C3)C[C@H]2C1	REAL300005312730	1	47	0.0	-73.11	362.76	7.39	-65.72
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CC(C)C1=NC=CN1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312779	0	53	0.0	-62.01	400.73	9.88	-52.13
CC(C)C1=NC=CN1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312779	1	53	0.0	-68.13	400.62	9.54	-58.59
COCC(C)(O)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312781	0	45	0.0	-55.19	337.16	3.17	-52.02
COCC(C)(O)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312781	1	45	0.0	-58.11	335.34	2.94	-55.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(O)CCCCC3)C[C@H]2C1	REAL300005312782	0	51	0.0	-67.42	365.71	7.39	-60.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(O)CCCCC3)C[C@H]2C1	REAL300005312782	1	51	0.0	-66.72	360.78	7.39	-59.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005312783	0	53	0.0	-68.50	399.84	10.28	-58.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(NC4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005312783	1	53	0.0	-74.67	398.24	10.32	-64.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3(C)NC(=O)NC3=O)C[C@H]2C1	REAL300005312784	0	52	0.0	-79.22	392.27	3.43	-75.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3(C)NC(=O)NC3=O)C[C@H]2C1	REAL300005312784	1	52	0.0	-73.65	394.80	3.73	-69.92
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312785	0	49	0.0	-53.96	365.84	7.97	-45.99
CC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312785	1	49	0.0	-69.13	362.64	7.92	-61.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN4C=NC=C4C3)C[C@H]2C1	REAL300005312787	0	48	0.0	-65.30	355.31	9.12	-56.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN4C=NC=C4C3)C[C@H]2C1	REAL300005312787	1	48	0.0	-67.72	355.84	9.32	-58.40
CCN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300005312788	1	49	0.0	-61.48	350.98	6.47	-55.01
CCN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300005312788	1	49	0.0	-64.00	355.78	6.51	-57.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(Cl)C(F)=C3)C[C@H]2C1	REAL300005312789	0	45	0.0	-64.41	370.14	9.59	-54.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=C(Cl)C(F)=C3)C[C@H]2C1	REAL300005312789	1	45	0.0	-69.97	370.49	9.54	-60.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4=NN=CN4)C=C3)C[C@H]2C1	REAL300005312790	0	50	0.0	-81.92	386.12	9.85	-72.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4=NN=CN4)C=C3)C[C@H]2C1	REAL300005312790	1	50	0.0	-63.47	382.78	9.77	-53.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4=NNC=N4)C=C3)C[C@H]2C1	REAL300005312790	1	50	0.0	-72.87	386.74	9.46	-63.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4=NNC=N4)C=C3)C[C@H]2C1	REAL300005312790	1	50	0.0	-66.36	386.87	9.37	-56.99
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(S(N)(=O)=O)=C3)C[C@H]2C1	REAL300005312791	0	43	0.0	-74.13	347.18	1.09	-73.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(S(N)(=O)=O)=C3)C[C@H]2C1	REAL300005312791	1	43	0.0	-76.87	347.65	0.99	-75.88
CNS(=O)(=O)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005312792	0	46	0.0	-73.40	369.61	2.30	-71.10
CNS(=O)(=O)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005312792	1	46	0.0	-81.35	369.43	2.33	-79.02
CN1C=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312793	0	44	0.0	-83.05	338.63	6.82	-76.23
CN1C=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312793	1	44	0.0	-74.57	339.82	6.79	-67.78
CC(O)C1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312794	0	44	0.0	-66.18	348.11	3.33	-62.85
CC(O)C1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312794	1	44	0.0	-66.09	349.08	3.31	-62.78
COCC1=NN(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312795	0	48	0.0	-54.26	362.37	5.37	-48.89
COCC1=NN(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312795	1	48	0.0	-64.27	364.36	5.34	-58.93
CCC1=NN=C(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312796	0	48	0.0	-69.90	358.02	7.08	-62.82
CCC1=NN=C(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312796	1	48	0.0	-64.37	358.81	6.96	-57.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=NC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005312797	0	49	0.0	-67.13	376.13	8.64	-58.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=NC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005312797	1	49	0.0	-70.49	374.52	8.60	-61.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C4=CC=CC=C4F)C3)C[C@H]2C1	REAL300005312798	0	53	0.0	-81.09	394.44	8.79	-72.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C4=CC=CC=C4F)C3)C[C@H]2C1	REAL300005312798	1	53	0.0	-60.78	399.71	8.85	-51.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C4=CC=CC=C4Cl)C3)C[C@H]2C1	REAL300005312799	0	53	0.0	-78.90	404.17	9.47	-69.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN(C4=CC=CC=C4Cl)C3)C[C@H]2C1	REAL300005312799	1	53	0.0	-60.23	409.44	9.53	-50.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)(F)F)C=N3)C[C@H]2C1	REAL300005312800	0	47	0.0	-62.68	377.55	7.78	-54.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)(F)F)C=N3)C[C@H]2C1	REAL300005312800	1	47	0.0	-68.23	377.96	7.65	-60.58
CN1C=NC2=CC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C21	REAL300005312801	0	47	0.0	-66.78	353.47	9.24	-57.54
CN1C=NC2=CC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C21	REAL300005312801	1	47	0.0	-74.51	350.15	9.04	-65.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4OC=CC4=CC(F)=C3)C[C@H]2C1	REAL300005312802	0	44	0.0	-77.85	344.56	8.41	-69.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4OC=CC4=CC(F)=C3)C[C@H]2C1	REAL300005312802	1	44	0.0	-75.63	344.30	8.49	-67.14
CC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)OC2=CC=C1	REAL300005312803	0	47	0.0	-56.75	362.17	9.47	-47.28
CC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)OC2=CC=C1	REAL300005312803	1	47	0.0	-67.64	359.05	9.28	-58.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3NC(=O)NC3=O)C[C@H]2C1	REAL300005312804	0	46	0.0	-73.27	358.43	2.29	-70.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3NC(=O)NC3=O)C[C@H]2C1	REAL300005312804	1	46	0.0	-73.25	357.30	2.27	-70.98
CN(C)C1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312805	0	53	0.0	-66.61	395.89	9.98	-56.63
CN(C)C1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312805	1	53	0.0	-66.09	399.02	9.93	-56.16
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312806	0	49	0.0	-77.59	382.41	3.59	-74.00
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312806	1	49	0.0	-70.26	384.60	3.52	-66.74
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C	REAL300005312807	0	48	0.0	-66.68	352.04	8.62	-58.06
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C	REAL300005312807	1	48	0.0	-73.36	352.10	8.68	-64.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSCCS3)C[C@H]2C1	REAL300005312808	0	43	0.0	-64.24	338.52	8.07	-56.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSCCS3)C[C@H]2C1	REAL300005312808	1	43	0.0	-61.92	340.86	8.04	-53.88
CC1=NNC(C)=C1CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312809	0	50	0.0	-72.28	378.69	7.41	-64.87
CC1=NNC(C)=C1CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312809	1	50	0.0	-69.19	378.72	7.44	-61.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=CC=CC=N4)=N3)C[C@H]2C1	REAL300005312810	0	49	0.0	-76.56	397.56	8.17	-68.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(C4=CC=CC=N4)=N3)C[C@H]2C1	REAL300005312810	1	49	0.0	-81.14	396.86	8.11	-73.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CN3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005312811	0	48	0.0	-61.96	371.69	10.52	-51.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CN3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005312811	1	48	0.0	-69.16	368.39	10.32	-58.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(N4CCOCC4)=CC=N3)C[C@H]2C1	REAL300005312812	0	53	0.0	-63.50	389.19	5.92	-57.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(N4CCOCC4)=CC=N3)C[C@H]2C1	REAL300005312812	1	53	0.0	-60.57	390.13	5.95	-54.62
CC1=NNC(C)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312813	0	47	0.0	-69.10	358.36	6.66	-62.44
CC1=NNC(C)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312813	1	47	0.0	-68.53	354.54	6.69	-61.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(S(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005312814	0	52	0.0	-68.03	412.67	5.23	-62.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(S(N)(=O)=O)C=C3)C[C@H]2C1	REAL300005312814	1	52	0.0	-74.53	412.56	4.89	-69.64
COC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005312815	0	50	0.0	-65.91	379.91	8.21	-57.70
COC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005312815	1	50	0.0	-67.71	381.95	8.14	-59.57
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=NC=C2)=N1	REAL300005312816	0	50	0.0	-84.45	385.49	7.54	-76.91
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=NC=C2)=N1	REAL300005312816	1	50	0.0	-72.58	381.17	7.47	-65.11
CC(C)C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CC(C)OC(C)C1	REAL300005312817	0	62	0.0	-66.24	431.71	7.33	-58.91
CC(C)C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1CC(C)OC(C)C1	REAL300005312817	1	62	0.0	-70.78	413.89	7.16	-63.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(NC4=CC=CC=N4)=N3)C[C@H]2C1	REAL300005312819	0	48	0.0	-60.41	384.48	9.38	-51.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(NC4=CC=CC=N4)=N3)C[C@H]2C1	REAL300005312819	1	48	0.0	-69.18	384.89	9.25	-59.93
CCN1C=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312820	0	44	0.0	-60.59	336.93	7.20	-53.39
CCN1C=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312820	1	44	0.0	-69.62	337.37	7.08	-62.54
CCC(CC)N1C=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312821	0	53	0.0	-59.06	392.76	9.04	-50.02
CCC(CC)N1C=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312821	1	53	0.0	-68.61	393.58	8.93	-59.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(=O)C4=CC=CC=C43)C[C@H]2C1	REAL300005312822	0	50	0.0	-72.71	374.17	9.55	-63.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(=O)C4=CC=CC=C43)C[C@H]2C1	REAL300005312822	1	50	0.0	-72.77	377.61	9.55	-63.22
CC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(N)=N1	REAL300005312823	0	44	0.0	-54.85	334.02	5.32	-49.53
CC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(N)=N1	REAL300005312823	1	44	0.0	-69.05	333.56	4.99	-64.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(O)C(F)=C3)C[C@H]2C1	REAL300005312824	0	51	0.0	-79.89	396.94	7.88	-72.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3=CC=C(O)C(F)=C3)C[C@H]2C1	REAL300005312824	1	51	0.0	-75.82	397.13	7.93	-67.89
COC1=CN=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312825	0	43	0.0	-60.79	330.50	4.05	-56.74
COC1=CN=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312825	1	43	0.0	-57.27	330.74	4.06	-53.21
CCC1=CC=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312826	0	46	0.0	-62.18	347.90	8.51	-53.67
CCC1=CC=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312826	1	46	0.0	-68.24	346.45	8.32	-59.92
COC(=CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312827	0	49	0.0	-65.32	366.60	9.27	-56.05
COC(=CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312827	1	49	0.0	-61.21	366.79	9.16	-52.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NNN=C43)C[C@H]2C1	REAL300005312828	0	43	0.0	-60.41	329.18	5.42	-54.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NNN=C43)C[C@H]2C1	REAL300005312828	1	43	0.0	-67.63	331.22	5.20	-62.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NN=NC4=CC=C3)C[C@H]2C1	REAL300005312828	1	43	0.0	-72.82	329.55	5.14	-67.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NN=NC4=CC=C3)C[C@H]2C1	REAL300005312828	1	43	0.0	-65.76	329.54	5.02	-60.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3CCCC4)C[C@H]2C1	REAL300005312829	0	51	0.0	-66.70	369.09	10.49	-56.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3CCCC4)C[C@H]2C1	REAL300005312829	1	51	0.0	-61.98	370.19	10.38	-51.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC=CCC3)C[C@H]2C1	REAL300005312830	0	48	0.0	-61.30	338.07	8.56	-52.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC=CCC3)C[C@H]2C1	REAL300005312830	1	48	0.0	-64.17	335.25	8.30	-55.87
CCN1N=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312831	0	44	0.0	-74.93	329.40	6.64	-68.29
CCN1N=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312831	1	44	0.0	-70.14	328.34	6.64	-63.50
CC1=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005312832	0	48	0.0	-66.85	366.41	7.85	-59.00
CC1=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005312832	1	48	0.0	-67.51	369.41	7.81	-59.70
CC1=CC=NC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005312833	0	49	0.0	-70.80	370.48	8.98	-61.82
CC1=CC=NC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005312833	1	49	0.0	-64.10	370.72	8.87	-55.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN4N=NN=C34)C[C@H]2C1	REAL300005312834	0	42	0.0	-66.82	334.62	6.50	-60.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN4N=NN=C34)C[C@H]2C1	REAL300005312834	1	42	0.0	-65.45	334.90	6.36	-59.09
CC(C)N1N=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312835	0	47	0.0	-64.48	347.84	7.40	-57.08
CC(C)N1N=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312835	1	47	0.0	-70.64	348.71	7.36	-63.28
CC1=NNC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312836	0	44	0.0	-68.48	340.30	5.98	-62.50
CC1=NNC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312836	1	44	0.0	-69.78	339.56	5.92	-63.86
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005312837	0	48	0.0	-52.14	360.25	7.89	-44.25
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005312837	1	48	0.0	-72.19	362.00	7.80	-64.39
CC1=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005312838	0	50	0.0	-73.06	378.77	8.08	-64.98
CC1=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005312838	1	50	0.0	-69.62	378.96	8.13	-61.49
COC1=NOC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312839	0	47	0.0	-71.13	366.13	5.45	-65.68
COC1=NOC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312839	1	47	0.0	-67.79	366.31	5.50	-62.29
COC1=CC=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NN=C21	REAL300005312840	0	48	0.0	-72.15	372.27	6.22	-65.93
COC1=CC=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NN=C21	REAL300005312840	1	48	0.0	-73.29	363.99	6.41	-66.88
CC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1O	REAL300005312841	0	48	0.0	-77.12	366.37	6.92	-70.20
CC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1O	REAL300005312841	1	48	0.0	-66.98	366.85	6.92	-60.06
CN1C=NC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312842	0	45	0.0	-66.41	345.01	8.70	-57.71
CN1C=NC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312842	1	45	0.0	-67.02	347.15	8.63	-58.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CN=CS3)C[C@H]2C1	REAL300005312843	0	41	0.0	-65.49	329.91	6.84	-58.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CN=CS3)C[C@H]2C1	REAL300005312843	1	41	0.0	-65.22	332.06	6.77	-58.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC4=NC=NC4=C3)C[C@H]2C1	REAL300005312844	0	43	0.0	-65.84	338.23	7.15	-58.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC4=NC=NC4=C3)C[C@H]2C1	REAL300005312844	1	43	0.0	-64.28	338.26	7.02	-57.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=NC=CN=C4C=C3)C[C@H]2C1	REAL300005312845	0	44	0.0	-57.29	342.71	6.38	-50.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=NC=CN=C4C=C3)C[C@H]2C1	REAL300005312845	1	44	0.0	-70.35	339.58	6.16	-64.19
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(CC2CC2)=N1	REAL300005312846	0	50	0.0	-60.00	386.46	8.91	-51.09
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(CC2CC2)=N1	REAL300005312846	1	50	0.0	-66.04	386.88	8.77	-57.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCN(CC(F)F)CC3)C[C@H]2C1	REAL300005312847	0	55	0.0	-76.72	394.50	7.41	-69.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCN(CC(F)F)CC3)C[C@H]2C1	REAL300005312847	1	55	0.0	-70.62	402.14	8.04	-62.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=N4)=NO3)C[C@H]2C1	REAL300005312848	0	46	0.0	-71.12	363.85	7.53	-63.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=N4)=NO3)C[C@H]2C1	REAL300005312848	1	46	0.0	-68.58	364.38	7.56	-61.02
CCNC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312849	0	45	0.0	-65.44	353.54	5.95	-59.49
CCNC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005312849	1	45	0.0	-68.36	353.78	5.99	-62.37
COC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2N=C1	REAL300005312850	0	50	0.0	-62.37	385.86	7.87	-54.50
COC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2N=C1	REAL300005312850	1	50	0.0	-68.95	381.75	7.89	-61.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(CO)=C3)C[C@H]2C1	REAL300005312851	0	41	0.0	-59.49	320.18	3.28	-56.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(CO)=C3)C[C@H]2C1	REAL300005312851	1	41	0.0	-67.17	322.55	3.19	-63.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCC4)CCCCC3)C[C@H]2C1	REAL300005312852	0	63	0.0	-70.36	405.10	11.56	-58.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCC4)CCCCC3)C[C@H]2C1	REAL300005312852	1	63	0.0	-66.04	412.20	11.09	-54.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC=CC(Cl)=C34)C[C@H]2C1	REAL300005312853	0	48	0.0	-72.37	381.07	9.48	-62.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CNC4=CC=CC(Cl)=C34)C[C@H]2C1	REAL300005312853	1	48	0.0	-60.54	381.20	9.45	-51.09
CC1=CC(C)=NC(=O)N1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312854	0	49	0.0	-99.23	374.59	6.51	-92.72
CC1=CC(C)=NC(=O)N1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312854	1	49	0.0	-68.94	372.71	6.64	-62.30
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005312855	0	50	0.0	-65.92	389.46	10.34	-55.58
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005312855	1	50	0.0	-65.90	390.19	10.32	-55.58
CCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005312856	0	54	0.0	-58.51	419.22	10.70	-47.81
CCCCOC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005312856	1	54	0.0	-77.40	418.37	10.36	-67.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Br)C(O)=C3)C[C@H]2C1	REAL300005312857	0	45	0.0	-78.56	366.71	6.84	-71.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Br)C(O)=C3)C[C@H]2C1	REAL300005312857	1	45	0.0	-65.46	367.19	6.85	-58.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSC(C4=CC=CC=C4O)=N3)C[C@H]2C1	REAL300005312858	0	50	0.0	-76.06	395.47	5.88	-70.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CSC(C4=CC=CC=C4O)=N3)C[C@H]2C1	REAL300005312858	1	50	0.0	-68.90	396.49	5.81	-63.09
CCCC1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005312859	0	54	0.0	-62.99	383.98	8.19	-54.80
CCCC1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCO1	REAL300005312859	1	54	0.0	-62.71	393.91	8.44	-54.27
CN1CCC2=C(C1)C1=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C1N2	REAL300005312860	0	57	0.0	-61.67	417.32	8.19	-53.48
CN1CCC2=C(C1)C1=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C1N2	REAL300005312860	1	57	0.0	-69.86	418.22	7.74	-62.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3NC3CCCCC3)C[C@H]2C1	REAL300005312861	0	59	0.0	-64.84	423.93	10.51	-54.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3NC3CCCCC3)C[C@H]2C1	REAL300005312861	1	59	0.0	-57.53	423.05	10.38	-47.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4C=C(Cl)C=C(Cl)C4=N3)C[C@H]2C1	REAL300005312862	0	44	0.0	-54.27	373.82	10.23	-44.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4C=C(Cl)C=C(Cl)C4=N3)C[C@H]2C1	REAL300005312862	1	44	0.0	-66.42	370.70	10.00	-56.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005312863	0	52	0.0	-74.46	409.34	4.89	-69.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CNC3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005312863	1	52	0.0	-75.99	408.20	4.70	-71.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(C(F)(F)F)C=C4N3)C[C@H]2C1	REAL300005312864	0	48	0.0	-58.60	379.23	9.79	-48.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(C(F)(F)F)C=C4N3)C[C@H]2C1	REAL300005312864	1	48	0.0	-65.49	380.66	9.35	-56.14
CC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005312865	0	57	0.0	-77.12	429.64	10.88	-66.24
CC1=CC=C(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005312865	1	57	0.0	-72.80	429.83	10.93	-61.87
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312866	0	54	0.0	-59.36	403.44	10.09	-49.27
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312866	1	54	0.0	-75.62	404.90	9.87	-65.75
CC1=CC=C(C2=NNC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1C	REAL300005312867	0	54	0.0	-74.33	407.20	9.64	-64.69
CC1=CC=C(C2=NNC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)C=C1C	REAL300005312867	1	54	0.0	-70.90	407.25	9.65	-61.25
CC1=CC=C(C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=NN2)C=C1C	REAL300005312867	1	54	0.0	-59.07	409.52	9.73	-49.34
CC1=CC=C(C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=NN2)C=C1C	REAL300005312867	1	54	0.0	-67.56	409.94	9.60	-57.96
CC1=NNC(C)=C1C(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312868	0	53	0.0	-73.53	386.70	7.67	-65.86
CC1=NNC(C)=C1C(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312868	1	53	0.0	-69.79	387.93	7.64	-62.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(N4CCCC4)=N3)C[C@H]2C1	REAL300005312869	0	51	0.0	-56.98	379.36	8.75	-48.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(N4CCCC4)=N3)C[C@H]2C1	REAL300005312869	1	51	0.0	-64.33	377.95	8.54	-55.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(CC(F)(F)F)C3)C[C@H]2C1	REAL300005312870	0	52	0.0	-63.31	380.24	6.52	-56.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN(CC(F)(F)F)C3)C[C@H]2C1	REAL300005312870	1	52	0.0	-64.09	386.37	7.04	-57.05
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312871	0	48	0.0	-64.31	378.22	9.93	-54.38
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312871	1	48	0.0	-62.38	376.63	9.82	-52.56
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312872	0	51	0.0	-75.01	387.13	10.38	-64.63
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312872	1	51	0.0	-68.55	390.23	10.27	-58.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3OC3=CC=CC=C3)C[C@H]2C1	REAL300005312873	0	51	0.0	-71.41	394.08	9.71	-61.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3OC3=CC=CC=C3)C[C@H]2C1	REAL300005312873	1	51	0.0	-72.80	396.23	9.53	-63.27
CC1=NN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300005312874	0	54	0.0	-84.85	418.78	10.68	-74.17
CC1=NN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300005312874	1	54	0.0	-76.12	419.92	10.64	-65.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(OC3=CC=CC=C3)C(C)(C)O)C[C@H]2C1	REAL300005312875	0	55	0.0	-85.47	397.38	7.45	-78.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(OC3=CC=CC=C3)C(C)(C)O)C[C@H]2C1	REAL300005312875	1	55	0.0	-70.26	397.64	7.96	-62.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)C(Cl)=C3)C[C@H]2C1	REAL300005312876	0	53	0.0	-58.34	390.61	10.45	-47.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)C(Cl)=C3)C[C@H]2C1	REAL300005312876	1	53	0.0	-75.04	391.71	10.51	-64.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C(=C3)CCCCC4=O)C[C@H]2C1	REAL300005312877	0	53	0.0	-67.07	390.13	10.09	-56.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C(=C3)CCCCC4=O)C[C@H]2C1	REAL300005312877	1	53	0.0	-73.08	390.52	9.99	-63.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=NC=CN4C3)C[C@H]2C1	REAL300005312878	0	48	0.0	-55.45	356.29	8.40	-47.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=NC=CN4C3)C[C@H]2C1	REAL300005312878	1	48	0.0	-66.48	356.57	8.42	-58.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(CC4=CC=CC=C4)=NN3)C[C@H]2C1	REAL300005312879	0	51	0.0	-57.78	392.16	9.56	-48.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(CC4=CC=CC=C4)=NN3)C[C@H]2C1	REAL300005312879	1	51	0.0	-69.89	392.54	9.23	-60.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=C(O)C=C3)C3CC3)C[C@H]2C1	REAL300005312880	0	55	0.0	-61.83	416.03	8.95	-52.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=C(O)C=C3)C3CC3)C[C@H]2C1	REAL300005312880	1	55	0.0	-69.71	411.37	8.73	-60.98
CN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1CC1=CC=CC=C1	REAL300005312881	0	54	0.0	-66.00	403.06	9.92	-56.08
CN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1CC1=CC=CC=C1	REAL300005312881	1	54	0.0	-61.25	403.95	9.84	-51.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN4C=CN=C4C3)C[C@H]2C1	REAL300005312882	0	48	0.0	-63.70	353.21	8.31	-55.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN4C=CN=C4C3)C[C@H]2C1	REAL300005312882	1	48	0.0	-62.55	356.57	8.46	-54.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CN=CN4C3)C[C@H]2C1	REAL300005312883	0	48	0.0	-67.63	355.30	9.09	-58.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CN=CN4C3)C[C@H]2C1	REAL300005312883	1	48	0.0	-72.22	359.15	9.08	-63.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(=O)C4=CC=CC=C4)N=CN3)C[C@H]2C1	REAL300005312884	0	50	0.0	-75.44	381.25	11.95	-63.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(=O)C4=CC=CC=C4)N=CN3)C[C@H]2C1	REAL300005312884	1	50	0.0	-85.93	381.76	11.59	-74.34
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312885	0	54	0.0	-64.52	402.68	7.09	-57.43
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312885	1	54	0.0	-68.35	402.95	7.08	-61.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCCS(N)(=O)=O)C[C@H]2C1	REAL300005312886	0	54	0.0	-72.52	419.74	4.61	-67.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCCS(N)(=O)=O)C[C@H]2C1	REAL300005312886	1	54	0.0	-78.75	419.69	4.25	-74.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)F)N=C3)C[C@H]2C1	REAL300005312887	0	47	0.0	-57.71	372.74	5.89	-51.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)F)N=C3)C[C@H]2C1	REAL300005312887	1	47	0.0	-64.86	370.86	5.88	-58.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)O3)C[C@H]2C1	REAL300005312888	0	48	0.0	-66.08	352.17	7.90	-58.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)O3)C[C@H]2C1	REAL300005312888	1	48	0.0	-71.11	347.32	7.71	-63.40
CC(C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1)C(F)(F)F	REAL300005312889	0	50	0.0	-67.23	384.30	10.17	-57.06
CC(C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1)C(F)(F)F	REAL300005312889	1	50	0.0	-70.46	378.80	9.90	-60.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(OCC(F)F)C=N3)C[C@H]2C1	REAL300005312890	0	46	0.0	-72.48	365.94	4.97	-67.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(OCC(F)F)C=N3)C[C@H]2C1	REAL300005312890	1	46	0.0	-66.35	368.89	4.85	-61.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(N4CCOCC4)CC3)C[C@H]2C1	REAL300005312891	0	51	0.0	-60.22	370.43	5.05	-55.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(N4CCOCC4)CC3)C[C@H]2C1	REAL300005312891	1	51	0.0	-71.58	366.50	4.49	-67.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C(C)(C)O)CC3)C[C@H]2C1	REAL300005312892	0	57	0.0	-77.36	392.69	6.73	-70.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C(C)(C)O)CC3)C[C@H]2C1	REAL300005312892	1	57	0.0	-68.84	390.40	6.77	-62.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(OC4=CC=C(Cl)C=C4)CC3)C[C@H]2C1	REAL300005312893	0	49	0.0	-51.01	386.74	9.78	-41.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(OC4=CC=C(Cl)C=C4)CC3)C[C@H]2C1	REAL300005312893	1	49	0.0	-63.02	383.79	9.45	-53.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2C1	REAL300005312894	0	44	0.0	-81.92	343.59	4.04	-77.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2C1	REAL300005312894	1	44	0.0	-77.07	343.79	4.10	-72.97
CC(C)N1C=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312895	0	50	0.0	-82.84	378.86	8.22	-74.62
CC(C)N1C=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312895	1	50	0.0	-74.09	380.04	8.18	-65.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005312896	0	52	0.0	-71.85	398.66	10.26	-61.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005312896	1	52	0.0	-69.20	398.84	10.30	-58.90
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=C(N=CNC2=O)O1	REAL300005312897	0	46	0.0	-93.24	365.33	4.95	-88.29
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=C(N=CNC2=O)O1	REAL300005312897	1	46	0.0	-72.30	366.76	4.92	-67.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CN=C3)C[C@H]2C1	REAL300005312898	0	46	0.0	-62.08	353.26	8.49	-53.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=CN=C3)C[C@H]2C1	REAL300005312898	1	46	0.0	-68.58	353.21	8.14	-60.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3N3CCCC3)C[C@H]2C1	REAL300005312899	0	52	0.0	-72.66	384.73	8.50	-64.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3N3CCCC3)C[C@H]2C1	REAL300005312899	1	52	0.0	-66.01	385.31	8.39	-57.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC4=CC=CC=C4N3)C[C@H]2C1	REAL300005312900	0	50	0.0	-71.23	384.45	8.57	-62.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NC4=CC=CC=C4N3)C[C@H]2C1	REAL300005312900	1	50	0.0	-68.58	384.64	8.62	-59.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(F)C=C4S3)C[C@H]2C1	REAL300005312901	0	44	0.0	-63.75	352.62	9.41	-54.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(F)C=C4S3)C[C@H]2C1	REAL300005312901	1	44	0.0	-65.94	349.46	9.38	-56.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005312902	0	50	0.0	-83.62	404.08	8.95	-74.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3=NC4=CC=CC=C4S3)C[C@H]2C1	REAL300005312902	1	50	0.0	-73.33	403.94	8.88	-64.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(N4CCCC4)=CC=N3)C[C@H]2C1	REAL300005312903	0	52	0.0	-62.21	382.99	7.58	-54.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(N4CCCC4)=CC=N3)C[C@H]2C1	REAL300005312903	1	52	0.0	-59.12	383.90	7.63	-51.49
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312904	0	52	0.0	-70.21	405.58	4.84	-65.37
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312904	1	52	0.0	-76.05	406.28	4.76	-71.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=CC=CC=C43)C[C@H]2C1	REAL300005312905	0	46	0.0	-79.46	348.35	8.36	-71.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=CC=CC=C43)C[C@H]2C1	REAL300005312905	1	46	0.0	-66.07	346.03	8.20	-57.87
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312906	0	52	0.0	-59.12	393.84	9.59	-49.53
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312906	1	52	0.0	-69.95	389.72	9.63	-60.32
CN(C)C1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312907	0	55	0.0	-61.93	409.94	10.68	-51.25
CN(C)C1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312907	1	55	0.0	-69.97	410.90	10.35	-59.62
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C(=N1)ON=C2C(C)C	REAL300005312908	0	54	0.0	-59.08	408.56	7.23	-51.85
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C(=N1)ON=C2C(C)C	REAL300005312908	1	54	0.0	-65.38	410.46	6.85	-58.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=CC=CC=N4)=N3)C[C@H]2C1	REAL300005312909	0	46	0.0	-71.37	371.46	7.78	-63.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=CC=CC=N4)=N3)C[C@H]2C1	REAL300005312909	1	46	0.0	-69.35	372.83	7.62	-61.73
CCN(CC)CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312910	1	55	0.0	-60.75	402.31	7.49	-53.26
CCN(CC)CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005312910	1	55	0.0	-66.55	406.68	7.70	-58.85
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312912	0	49	0.0	-68.36	366.58	9.31	-59.05
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005312912	1	49	0.0	-69.63	368.33	9.22	-60.41
CC1=CC=C(N2CCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)N=C1	REAL300005312913	0	58	0.0	-73.50	425.69	9.47	-64.03
CC1=CC=C(N2CCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)N=C1	REAL300005312913	1	58	0.0	-62.50	427.05	9.41	-53.09
CN(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005312914	0	52	0.0	-63.52	389.21	8.13	-55.39
CN(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005312914	1	52	0.0	-66.91	388.50	8.07	-58.84
CN(C)C1=CC=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312915	0	48	0.0	-62.56	356.74	7.51	-55.05
CN(C)C1=CC=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312915	1	48	0.0	-69.04	356.36	7.32	-61.72
CCCCN(CC)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312916	0	61	0.0	-54.91	444.00	11.69	-43.22
CCCCN(CC)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312916	1	61	0.0	-70.28	441.72	11.54	-58.74
CCCCN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312917	0	58	0.0	-69.24	425.43	10.89	-58.35
CCCCN(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312917	1	58	0.0	-70.49	419.92	10.60	-59.89
CCCN(CC)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312918	0	57	0.0	-54.48	424.39	10.40	-44.08
CCCN(CC)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005312918	1	57	0.0	-69.45	421.15	10.34	-59.11
CC(=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005312919	0	48	0.0	-60.83	381.39	10.88	-49.95
CC(=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005312919	1	48	0.0	-64.84	380.50	10.70	-54.14
CN1CCOCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312920	0	47	0.0	-59.14	343.68	3.72	-55.42
CN1CCOCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312920	1	47	0.0	-64.05	343.00	3.63	-60.42
CN1C=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312921	0	47	0.0	-61.46	361.25	7.96	-53.50
CN1C=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005312921	1	47	0.0	-70.37	361.20	7.62	-62.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CO4)N3)C[C@H]2C1	REAL300005312922	0	42	0.0	-67.34	321.53	6.51	-60.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CO4)N3)C[C@H]2C1	REAL300005312922	1	42	0.0	-69.56	322.15	6.41	-63.15
CC1=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NN2C=C1	REAL300005312923	0	47	0.0	-70.87	356.19	8.41	-62.46
CC1=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=NN2C=C1	REAL300005312923	1	47	0.0	-65.97	358.72	8.36	-57.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)N=NS3)C[C@H]2C1	REAL300005312924	0	43	0.0	-58.96	339.04	6.90	-52.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)N=NS3)C[C@H]2C1	REAL300005312924	1	43	0.0	-59.94	335.06	6.82	-53.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC4=NC=CC4=C3)C[C@H]2C1	REAL300005312926	0	44	0.0	-63.28	343.66	7.65	-55.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC4=NC=CC4=C3)C[C@H]2C1	REAL300005312926	1	44	0.0	-63.87	343.74	7.53	-56.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4NC=CC4=C3)C[C@H]2C1	REAL300005312926	1	44	0.0	-70.05	334.77	7.23	-62.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4NC=CC4=C3)C[C@H]2C1	REAL300005312926	1	44	0.0	-72.06	330.06	7.02	-65.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=CS3)C[C@H]2C1	REAL300005312927	0	40	0.0	-64.97	323.26	6.33	-58.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=CS3)C[C@H]2C1	REAL300005312927	1	40	0.0	-67.51	322.56	6.28	-61.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=NNC=C4)S3)C[C@H]2C1	REAL300005312928	0	45	0.0	-68.44	361.38	7.15	-61.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=NNC=C4)S3)C[C@H]2C1	REAL300005312928	1	45	0.0	-70.83	361.53	7.20	-63.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NN=C3)C[C@H]2C1	REAL300005312929	0	40	0.0	-67.58	309.37	3.45	-64.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NN=C3)C[C@H]2C1	REAL300005312929	1	40	0.0	-71.40	317.48	3.72	-67.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3CC(F)(F)F)C[C@H]2C1	REAL300005312930	0	44	0.0	-78.07	348.02	7.06	-71.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3CC(F)(F)F)C[C@H]2C1	REAL300005312930	1	44	0.0	-69.60	346.42	7.11	-62.49
CC(C)CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CN=C1	REAL300005312931	0	53	0.0	-65.88	392.50	10.57	-55.31
CC(C)CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CN=C1	REAL300005312931	1	53	0.0	-74.91	392.07	10.49	-64.42
CC1=COC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312932	0	44	0.0	-61.89	340.04	7.83	-54.06
CC1=COC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312932	1	44	0.0	-67.04	342.25	7.73	-59.31
CCC1=NN(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312933	0	47	0.0	-58.98	355.85	7.12	-51.86
CCC1=NN(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312933	1	47	0.0	-62.98	352.25	7.01	-55.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCCCC4=C3)C[C@H]2C1	REAL300005312934	0	48	0.0	-63.23	355.51	7.97	-55.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCCCC4=C3)C[C@H]2C1	REAL300005312934	1	48	0.0	-70.92	354.31	7.77	-63.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(N4C=CN=N4)C=CS3)C[C@H]2C1	REAL300005312935	0	44	0.0	-77.52	358.83	7.26	-70.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(N4C=CN=N4)C=CS3)C[C@H]2C1	REAL300005312935	1	44	0.0	-75.15	346.46	7.09	-68.06
CCC(C)(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312936	0	56	0.0	-68.05	399.67	10.78	-57.27
CCC(C)(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005312936	1	56	0.0	-59.68	398.00	10.64	-49.04
CC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005312937	0	44	0.0	-65.98	341.02	6.75	-59.23
CC(=O)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005312937	1	44	0.0	-62.09	335.25	6.74	-55.35
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1OC	REAL300005312938	0	52	0.0	-79.14	387.46	7.94	-71.20
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1OC	REAL300005312938	1	52	0.0	-63.22	391.39	7.99	-55.23
COCCN1N=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312939	0	48	0.0	-61.78	361.82	6.04	-55.74
COCCN1N=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312939	1	48	0.0	-71.93	362.00	5.68	-66.25
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N(C)C=C1	REAL300005312940	0	45	0.0	-69.18	344.28	8.29	-60.89
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N(C)C=C1	REAL300005312940	1	45	0.0	-74.70	344.37	8.34	-66.36
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312941	0	42	0.0	-68.52	322.23	6.32	-62.20
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312941	1	42	0.0	-67.46	320.22	6.10	-61.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=NN3C3=CC=CC(F)=C3)C[C@H]2C1	REAL300005312942	0	47	0.0	-74.24	363.31	7.73	-66.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=NN3C3=CC=CC(F)=C3)C[C@H]2C1	REAL300005312942	1	47	0.0	-64.95	365.17	7.65	-57.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=NC=C4)N=C3)C[C@H]2C1	REAL300005312943	0	47	0.0	-63.73	363.03	7.41	-56.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=NC=C4)N=C3)C[C@H]2C1	REAL300005312943	1	47	0.0	-69.22	359.83	7.21	-62.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=C(Cl)S3)C[C@H]2C1	REAL300005312944	0	45	0.0	-82.07	376.12	7.81	-74.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CC=C(Cl)S3)C[C@H]2C1	REAL300005312944	1	45	0.0	-70.37	371.57	7.68	-62.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=C(Cl)S4)NN=C3)C[C@H]2C1	REAL300005312944	1	45	0.0	-64.43	372.26	7.70	-56.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=C(Cl)S4)NN=C3)C[C@H]2C1	REAL300005312944	1	45	0.0	-66.51	371.87	7.59	-58.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3COC(C)(C)C)C[C@H]2C1	REAL300005312945	0	57	0.0	-69.47	414.45	9.99	-59.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3COC(C)(C)C)C[C@H]2C1	REAL300005312945	1	57	0.0	-63.50	417.56	9.94	-53.56
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CN(C)N=C1	REAL300005312946	0	55	0.0	-67.26	415.51	9.71	-57.55
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)N1C1=CN(C)N=C1	REAL300005312946	1	55	0.0	-70.60	414.29	9.52	-61.08
CCOC1=C2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CNC2=CC=C1	REAL300005312947	0	55	0.0	-75.90	418.41	9.38	-66.52
CCOC1=C2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CNC2=CC=C1	REAL300005312947	1	55	0.0	-66.00	418.47	9.34	-56.66
CCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005312948	0	51	0.0	-61.64	350.37	6.65	-54.99
CCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005312948	1	51	0.0	-68.78	348.78	6.49	-62.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C(N)=C3Cl)C[C@H]2C1	REAL300005312949	0	43	0.0	-53.93	349.79	7.15	-46.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)C(N)=C3Cl)C[C@H]2C1	REAL300005312949	1	43	0.0	-61.39	353.24	6.99	-54.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CC4)N=N3)C[C@H]2C1	REAL300005312950	0	47	0.0	-69.94	361.09	7.29	-62.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CC4)N=N3)C[C@H]2C1	REAL300005312950	1	47	0.0	-65.95	364.31	7.17	-58.78
CCCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312951	0	46	0.0	-67.84	352.68	6.52	-61.32
CCCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312951	1	46	0.0	-66.01	354.43	6.37	-59.64
CC(C)N1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312952	0	46	0.0	-54.60	351.29	6.24	-48.36
CC(C)N1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005312952	1	46	0.0	-65.99	351.70	6.13	-59.86
CC1=NC(CN2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)=NO1	REAL300005312953	0	48	0.0	-58.96	383.97	4.22	-54.74
CC1=NC(CN2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)=NO1	REAL300005312953	1	48	0.0	-70.49	384.41	4.11	-66.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CSC=C3)C[C@H]2C1	REAL300005312954	0	45	0.0	-82.34	358.09	7.00	-75.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNN=C3C3=CSC=C3)C[C@H]2C1	REAL300005312954	1	45	0.0	-71.04	350.38	6.85	-64.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CCOC4)N=N3)C[C@H]2C1	REAL300005312955	0	51	0.0	-69.66	385.08	5.82	-63.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CCOC4)N=N3)C[C@H]2C1	REAL300005312955	1	51	0.0	-67.94	386.85	5.69	-62.25
CC1=CC(CN2N=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C)=NO1	REAL300005312956	0	52	0.0	-73.87	404.80	7.45	-66.42
CC1=CC(CN2N=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C)=NO1	REAL300005312956	1	52	0.0	-70.17	401.77	7.51	-62.66
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1CC1CCCC1	REAL300005312957	0	56	0.0	-56.89	412.76	8.93	-47.96
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1CC1CCCC1	REAL300005312957	1	56	0.0	-66.61	403.44	8.41	-58.20
CC(CC1=CN(C)N=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312959	0	50	0.0	-65.22	376.63	7.99	-57.23
CC(CC1=CN(C)N=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312959	1	50	0.0	-65.44	373.38	7.73	-57.71
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CN(C)N=C2)O1	REAL300005312960	0	50	0.0	-60.35	389.78	6.04	-54.31
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=CN(C)N=C2)O1	REAL300005312960	1	50	0.0	-69.43	388.58	5.78	-63.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(CO)=C3)C[C@H]2C1	REAL300005312961	0	42	0.0	-67.39	323.92	3.56	-63.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(CO)=C3)C[C@H]2C1	REAL300005312961	1	42	0.0	-76.66	323.74	3.60	-73.06
CC1=NC2=CC=NN2C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312962	0	46	0.0	-60.25	357.62	7.70	-52.55
CC1=NC2=CC=NN2C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312962	1	46	0.0	-69.78	360.03	7.66	-62.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OCC(F)F)=C3)C[C@H]2C1	REAL300005312963	0	47	0.0	-70.20	368.64	6.27	-63.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(OCC(F)F)=C3)C[C@H]2C1	REAL300005312963	1	47	0.0	-67.20	369.58	5.83	-61.37
CC(C)CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)F)=N1	REAL300005312964	0	53	0.0	-71.05	403.70	9.06	-61.99
CC(C)CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)F)=N1	REAL300005312964	1	53	0.0	-82.32	404.56	9.00	-73.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3OCC(F)F)C[C@H]2C1	REAL300005312965	0	47	0.0	-93.89	369.29	6.97	-86.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN=C3OCC(F)F)C[C@H]2C1	REAL300005312965	1	47	0.0	-72.47	368.85	6.53	-65.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OCC(F)F)=N3)C[C@H]2C1	REAL300005312966	0	47	0.0	-65.30	369.98	7.14	-58.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OCC(F)F)=N3)C[C@H]2C1	REAL300005312966	1	47	0.0	-72.22	370.78	7.19	-65.03
CC(=O)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C	REAL300005312967	0	49	0.0	-65.33	363.35	9.36	-55.97
CC(=O)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C	REAL300005312967	1	49	0.0	-68.79	363.81	8.89	-59.90
CC1=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=CN2C=C1	REAL300005312968	0	47	0.0	-63.57	359.44	10.69	-52.88
CC1=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=CN2C=C1	REAL300005312968	1	47	0.0	-73.65	360.03	10.59	-63.06
CCC1=CC=CN=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312969	0	46	0.0	-57.81	340.81	8.52	-49.29
CCC1=CC=CN=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312969	1	46	0.0	-66.20	341.80	8.39	-57.81
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1CCCCC1	REAL300005312970	0	57	0.0	-73.02	417.43	10.29	-62.73
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1CCCCC1	REAL300005312970	1	57	0.0	-68.78	419.22	10.13	-58.65
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C(C)C1CC1	REAL300005312971	0	54	0.0	-62.17	404.87	9.81	-52.36
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C(C)C1CC1	REAL300005312971	1	54	0.0	-60.03	405.75	9.84	-50.19
CN(C)CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005312972	0	48	0.0	-56.90	364.02	5.45	-51.45
CN(C)CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005312972	1	48	0.0	-66.01	363.85	5.31	-60.70
CN(C)C1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N(C)C2=NC=N1	REAL300005312973	0	54	0.0	-73.99	401.00	8.86	-65.13
CN(C)C1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N(C)C2=NC=N1	REAL300005312973	1	54	0.0	-69.53	399.53	8.74	-60.79
CCC(CC)N1N=C(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312974	0	56	0.0	-64.76	408.59	9.40	-55.36
CCC(CC)N1N=C(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312974	1	56	0.0	-66.45	409.49	9.33	-57.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(OCC(F)F)=CC=N3)C[C@H]2C1	REAL300005312975	0	47	0.0	-71.28	369.52	7.65	-63.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(OCC(F)F)=CC=N3)C[C@H]2C1	REAL300005312975	1	47	0.0	-77.06	370.63	7.68	-69.38
COC1=CC=CN2N=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005312977	0	48	0.0	-72.78	360.90	8.42	-64.36
COC1=CC=CN2N=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C12	REAL300005312977	1	48	0.0	-67.83	363.78	8.30	-59.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CCC4)N=C3)C[C@H]2C1	REAL300005312978	0	48	0.0	-64.27	356.27	7.77	-56.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CCC4)N=C3)C[C@H]2C1	REAL300005312978	1	48	0.0	-60.87	358.02	7.67	-53.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC=CC=C4O3)C[C@H]2C1	REAL300005312979	0	43	0.0	-63.98	334.13	6.96	-57.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC=CC=C4O3)C[C@H]2C1	REAL300005312979	1	43	0.0	-65.28	336.20	6.96	-58.32
COCCCOC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005312980	0	58	0.0	-72.38	434.29	8.83	-63.55
COCCCOC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005312980	1	58	0.0	-78.72	433.07	8.87	-69.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C3CCC3)C[C@H]2C1	REAL300005312981	0	48	0.0	-61.45	354.65	7.99	-53.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C3CCC3)C[C@H]2C1	REAL300005312981	1	48	0.0	-66.94	354.97	7.88	-59.06
CC1=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005312982	0	44	0.0	-65.17	349.37	7.36	-57.81
CC1=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=N1	REAL300005312982	1	44	0.0	-65.18	351.52	7.29	-57.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005312983	0	45	0.0	-66.02	361.40	10.10	-55.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005312983	1	45	0.0	-64.64	363.55	10.02	-54.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCC4)C[C@H]2C1	REAL300005312984	0	46	0.0	-71.66	347.43	7.95	-63.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3OCC4)C[C@H]2C1	REAL300005312984	1	46	0.0	-68.55	347.79	7.84	-60.71
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(C(C)(C)C)O1	REAL300005312985	0	53	0.0	-55.91	392.35	9.58	-46.33
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(C(C)(C)C)O1	REAL300005312985	1	53	0.0	-70.59	391.13	9.60	-60.99
CC1=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005312986	0	46	0.0	-59.38	355.33	8.39	-50.99
CC1=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005312986	1	46	0.0	-67.76	355.29	8.04	-59.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CN=C(C(C)(C)C)S3)C[C@H]2C1	REAL300005312987	0	53	0.0	-65.15	411.05	9.34	-55.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CN=C(C(C)(C)C)S3)C[C@H]2C1	REAL300005312987	1	53	0.0	-64.91	413.20	9.28	-55.63
CCC(C)OC1=CC=CC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312988	0	58	0.0	-69.01	433.56	11.30	-57.71
CCC(C)OC1=CC=CC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312988	1	58	0.0	-67.85	435.71	11.23	-56.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC4=CC(Cl)=CC=C4C=C3)C[C@H]2C1	REAL300005312989	0	50	0.0	-62.02	405.14	10.69	-51.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC4=CC(Cl)=CC=C4C=C3)C[C@H]2C1	REAL300005312989	1	50	0.0	-65.01	407.29	10.63	-54.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C3CC3=CC=CC=C3)C[C@H]2C1	REAL300005312990	0	52	0.0	-83.46	391.54	10.33	-73.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC=C3CC3=CC=CC=C3)C[C@H]2C1	REAL300005312990	1	52	0.0	-71.39	388.88	10.16	-61.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)OC(C4CC4)=C3)C[C@H]2C1	REAL300005312992	0	52	0.0	-65.18	393.60	10.81	-54.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)OC(C4CC4)=C3)C[C@H]2C1	REAL300005312992	1	52	0.0	-60.18	394.21	10.76	-49.42
CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312993	0	48	0.0	-73.76	351.88	6.88	-66.88
CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312993	1	48	0.0	-68.23	350.22	6.77	-61.46
CC1=CC=CC=C1C(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312994	0	50	0.0	-62.07	367.67	10.29	-51.78
CC1=CC=CC=C1C(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312994	1	50	0.0	-69.55	362.93	9.72	-59.83
COC1=NN(C)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312995	0	45	0.0	-72.38	344.23	4.00	-68.38
COC1=NN(C)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312995	1	45	0.0	-84.21	343.82	4.02	-80.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(OC4CCCC4)=C3)C[C@H]2C1	REAL300005312996	0	59	0.0	-67.13	438.74	11.76	-55.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(OC4CCCC4)=C3)C[C@H]2C1	REAL300005312996	1	59	0.0	-65.85	440.90	11.69	-54.16
CCC1=CC=C(Br)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312997	0	47	0.0	-54.50	371.43	9.98	-44.52
CCC1=CC=C(Br)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005312997	1	47	0.0	-64.44	371.17	9.92	-54.52
COC1=CC(Br)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312998	0	45	0.0	-60.31	357.91	7.85	-52.46
COC1=CC(Br)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005312998	1	45	0.0	-66.05	358.11	7.73	-58.32
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NC=N1	REAL300005312999	0	43	0.0	-58.26	334.03	5.37	-52.89
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NC=N1	REAL300005312999	1	43	0.0	-65.41	334.45	5.24	-60.17
COC1=NC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313000	0	43	0.0	-54.10	333.88	3.94	-50.16
COC1=NC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313000	1	43	0.0	-66.37	330.74	3.72	-62.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)(F)F)O3)C[C@H]2C1	REAL300005313001	0	41	0.0	-56.01	333.49	7.62	-48.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(F)(F)F)O3)C[C@H]2C1	REAL300005313001	1	41	0.0	-62.84	335.84	7.54	-55.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)C(C)(C)C3(C)C)C[C@H]2C1	REAL300005313002	0	53	0.0	-66.06	361.60	8.95	-57.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)C(C)(C)C3(C)C)C[C@H]2C1	REAL300005313002	1	53	0.0	-66.32	362.14	9.10	-57.22
CCC1=NOC(COCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313003	0	49	0.0	-84.86	385.48	5.73	-79.13
CCC1=NOC(COCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313003	1	49	0.0	-74.62	385.34	5.66	-68.96
COC1=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)N=C2C=C1	REAL300005313004	0	53	0.0	-67.61	397.73	8.26	-59.35
COC1=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)N=C2C=C1	REAL300005313004	1	53	0.0	-70.42	398.45	8.44	-61.98
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313005	0	54	0.0	-61.87	398.63	11.79	-50.08
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313005	1	54	0.0	-53.17	395.27	11.86	-41.31
CC1=CC2=CC=C(C)C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C=C1	REAL300005313006	0	53	0.0	-77.28	401.27	11.52	-65.76
CC1=CC2=CC=C(C)C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C=C1	REAL300005313006	1	53	0.0	-67.90	399.50	11.54	-56.36
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC(F)(F)F)=C1	REAL300005313007	0	48	0.0	-73.61	375.18	9.45	-64.16
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC(F)(F)F)=C1	REAL300005313007	1	48	0.0	-53.67	372.16	9.62	-44.05
CC1=CN=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005313008	0	46	0.0	-69.74	352.42	7.54	-62.20
CC1=CN=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005313008	1	46	0.0	-66.07	344.58	8.29	-57.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4=CC=CO4)=C3)C[C@H]2C1	REAL300005313009	0	47	0.0	-60.66	364.09	7.97	-52.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4=CC=CO4)=C3)C[C@H]2C1	REAL300005313009	1	47	0.0	-71.83	363.82	7.99	-63.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C(F)(F)F)=N3)C[C@H]2C1	REAL300005313010	0	42	0.0	-54.98	339.50	6.20	-48.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C(F)(F)F)=N3)C[C@H]2C1	REAL300005313010	1	42	0.0	-55.32	340.05	6.15	-49.17
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313011	0	56	0.0	-86.48	425.75	9.60	-76.88
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313011	1	56	0.0	-83.86	425.42	9.67	-74.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4=CC=CC=N4)=N3)C[C@H]2C1	REAL300005313012	0	48	0.0	-59.35	375.33	8.27	-51.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4=CC=CC=N4)=N3)C[C@H]2C1	REAL300005313012	1	48	0.0	-69.40	373.92	8.07	-61.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=COC4=CC=N3)C[C@H]2C1	REAL300005313013	0	43	0.0	-61.58	331.88	7.45	-54.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=COC4=CC=N3)C[C@H]2C1	REAL300005313013	1	43	0.0	-70.37	328.74	7.22	-63.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCOC3CCCC4)C[C@H]2C1	REAL300005313014	0	52	0.0	-68.23	354.68	7.71	-60.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCOC3CCCC4)C[C@H]2C1	REAL300005313014	1	52	0.0	-73.36	352.37	7.36	-66.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C[C@H]2C1	REAL300005313015	0	58	0.0	-73.60	419.27	5.81	-67.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C[C@H]2C1	REAL300005313015	1	58	0.0	-68.90	418.18	5.77	-63.13
CC1=CN=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005313016	0	46	0.0	-61.92	343.65	8.28	-53.64
CC1=CN=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005313016	1	46	0.0	-67.42	345.75	8.19	-59.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4CCCCC4=N3)C[C@H]2C1	REAL300005313018	0	48	0.0	-58.79	357.20	8.93	-49.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4CCCCC4=N3)C[C@H]2C1	REAL300005313018	1	48	0.0	-70.60	354.07	8.71	-61.89
CC1=NN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=NC=CC=C12	REAL300005313019	0	49	0.0	-83.27	382.16	8.41	-74.86
CC1=NN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=NC=CC=C12	REAL300005313019	1	49	0.0	-72.69	379.74	8.51	-64.18
CCCOC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1C	REAL300005313020	0	57	0.0	-68.59	429.28	11.15	-57.44
CCCOC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1C	REAL300005313020	1	57	0.0	-64.23	424.10	10.72	-53.51
CN1N=C(C2CC2)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313021	0	48	0.0	-60.26	358.28	8.23	-52.03
CN1N=C(C2CC2)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313021	1	48	0.0	-71.20	359.36	7.89	-63.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4CCCCC4)O3)C[C@H]2C1	REAL300005313022	1	56	0.0	-55.92	412.98	8.19	-47.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4CCCCC4)O3)C[C@H]2C1	REAL300005313022	1	56	0.0	-64.46	413.40	8.06	-56.40
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313023	0	56	0.0	-63.51	415.54	11.11	-52.40
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313023	1	56	0.0	-66.30	412.77	10.86	-55.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=C(F)C=C(F)C=C4C3)C[C@H]2C1	REAL300005313024	0	49	0.0	-73.20	379.71	8.91	-64.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=C(F)C=C(F)C=C4C3)C[C@H]2C1	REAL300005313024	1	49	0.0	-69.19	381.12	8.85	-60.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4CC4)S3)C[C@H]2C1	REAL300005313025	0	48	0.0	-76.64	373.02	10.04	-66.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4CC4)S3)C[C@H]2C1	REAL300005313025	1	48	0.0	-69.11	373.95	10.09	-59.02
COC1=CC(OC)=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313026	0	52	0.0	-69.82	394.57	7.71	-62.11
COC1=CC(OC)=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313026	1	52	0.0	-66.22	395.62	7.65	-58.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005313027	0	50	0.0	-66.33	379.01	10.56	-55.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005313027	1	50	0.0	-67.15	380.61	10.45	-56.70
CC1=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=CC=C1[N+](=O)[O-]	REAL300005313028	0	50	0.0	-61.69	383.92	9.98	-51.71
CC1=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=CC=C1[N+](=O)[O-]	REAL300005313028	1	50	0.0	-67.13	387.79	9.64	-57.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CNN=C43)C[C@H]2C1	REAL300005313029	0	45	0.0	-62.86	330.89	6.53	-56.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CNN=C43)C[C@H]2C1	REAL300005313029	1	45	0.0	-65.61	333.82	6.54	-59.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=C3NN=C4)C[C@H]2C1	REAL300005313029	1	45	0.0	-69.74	334.62	6.39	-63.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=C3NN=C4)C[C@H]2C1	REAL300005313029	1	45	0.0	-70.47	340.47	6.38	-64.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCCCCC3CC3)C[C@H]2C1	REAL300005313030	0	62	0.0	-62.65	459.12	13.50	-49.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCCCCC3CC3)C[C@H]2C1	REAL300005313030	1	62	0.0	-66.93	460.21	13.06	-53.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCOCC3)C[C@H]2C1	REAL300005313031	0	51	0.0	-64.11	360.22	7.72	-56.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCOCC3)C[C@H]2C1	REAL300005313031	1	51	0.0	-66.79	361.64	7.81	-58.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]34CCO[C@@H]3CCCCC4)C[C@H]2C1	REAL300005313032	0	55	0.0	-69.00	355.69	7.52	-61.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]34CCO[C@@H]3CCCCC4)C[C@H]2C1	REAL300005313032	1	55	0.0	-63.59	347.30	7.80	-55.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C)(CC3)OC4)C[C@H]2C1	REAL300005313033	0	52	0.0	-76.50	360.97	7.29	-69.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C)(CC3)OC4)C[C@H]2C1	REAL300005313033	1	52	0.0	-68.63	360.10	7.17	-61.46
CC1CCC(C)(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005313034	0	53	0.0	-73.30	362.67	9.06	-64.24
CC1CCC(C)(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005313034	1	53	0.0	-66.36	361.90	8.97	-57.39
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SN=N1	REAL300005313035	0	45	0.0	-74.12	347.81	6.49	-67.63
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SN=N1	REAL300005313035	1	45	0.0	-67.24	348.85	6.57	-60.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C3NN=C4)C[C@H]2C1	REAL300005313036	0	48	0.0	-62.68	357.66	7.00	-55.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C3NN=C4)C[C@H]2C1	REAL300005313036	1	48	0.0	-65.45	357.09	6.95	-58.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=CNN=C43)C[C@H]2C1	REAL300005313036	1	48	0.0	-56.09	357.17	7.02	-49.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=CNN=C43)C[C@H]2C1	REAL300005313036	1	48	0.0	-77.53	357.78	6.91	-70.62
COC1=C2C=CSC2=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313037	0	48	0.0	-85.93	373.48	8.64	-77.29
COC1=C2C=CSC2=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313037	1	48	0.0	-64.44	377.07	8.63	-55.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4(C)CC4)=C3)C[C@H]2C1	REAL300005313038	0	51	0.0	-60.10	372.45	10.74	-49.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4(C)CC4)=C3)C[C@H]2C1	REAL300005313038	1	51	0.0	-67.04	373.15	10.29	-56.75
CC1CCN(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)C1	REAL300005313039	0	56	0.0	-55.65	405.25	8.98	-46.67
CC1CCN(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)C1	REAL300005313039	1	56	0.0	-70.75	403.01	8.82	-61.93
C=CCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313040	0	45	0.0	-64.54	345.31	7.20	-57.34
C=CCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313040	1	45	0.0	-67.52	346.82	7.07	-60.45
CN1C=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005313041	0	43	0.0	-90.44	332.64	5.61	-84.83
CN1C=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005313041	1	43	0.0	-80.68	330.25	5.71	-74.97
CC1=NOC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313042	0	46	0.0	-61.86	355.36	8.44	-53.42
CC1=NOC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313042	1	46	0.0	-67.34	355.31	8.09	-59.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C(=C3)CCS4(=O)=O)C[C@H]2C1	REAL300005313043	0	48	0.0	-72.09	371.97	5.86	-66.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C(=C3)CCS4(=O)=O)C[C@H]2C1	REAL300005313043	1	48	0.0	-71.86	373.48	5.76	-66.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4CCC4)=C3)C[C@H]2C1	REAL300005313044	0	47	0.0	-68.09	357.49	8.78	-59.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4CCC4)=C3)C[C@H]2C1	REAL300005313044	1	47	0.0	-66.38	357.99	8.79	-57.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005313045	0	47	0.0	-61.40	364.80	9.52	-51.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005313045	1	47	0.0	-65.46	366.88	9.52	-55.94
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300005313046	0	47	0.0	-65.85	363.55	9.47	-56.38
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300005313046	1	47	0.0	-64.20	360.28	9.40	-54.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3C(C)(C)C3(C)C)C[C@H]2C1	REAL300005313047	0	53	0.0	-61.70	377.91	9.84	-51.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3C(C)(C)C3(C)C)C[C@H]2C1	REAL300005313047	1	53	0.0	-61.72	379.58	9.69	-52.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(Cl)C=C4S3)C[C@H]2C1	REAL300005313048	0	44	0.0	-63.38	362.95	9.84	-53.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(Cl)C=C4S3)C[C@H]2C1	REAL300005313048	1	44	0.0	-65.61	359.78	9.81	-55.80
COC1=CC=CC(N2C=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=N2)=C1	REAL300005313049	0	52	0.0	-72.64	399.49	9.05	-63.59
COC1=CC=CC(N2C=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=N2)=C1	REAL300005313049	1	52	0.0	-70.04	401.29	8.89	-61.15
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300005313050	0	48	0.0	-72.22	375.17	9.03	-63.19
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300005313050	1	48	0.0	-63.07	371.33	8.81	-54.26
COC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC(Cl)=C1	REAL300005313051	0	49	0.0	-60.41	386.90	8.60	-51.81
COC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC(Cl)=C1	REAL300005313051	1	49	0.0	-72.10	387.37	8.27	-63.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CC(C)(C)C4)C[C@H]2C1	REAL300005313052	0	54	0.0	-73.86	389.61	10.20	-63.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CC(C)(C)C4)C[C@H]2C1	REAL300005313052	1	54	0.0	-67.54	390.86	10.16	-57.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4)C=N3)C[C@H]2C1	REAL300005313053	0	50	0.0	-58.93	380.95	10.51	-48.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=C4)C=N3)C[C@H]2C1	REAL300005313053	1	50	0.0	-67.53	377.82	10.29	-57.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CCCO4)N=N3)C[C@H]2C1	REAL300005313054	0	51	0.0	-70.12	387.21	6.15	-63.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CCCO4)N=N3)C[C@H]2C1	REAL300005313054	1	51	0.0	-68.96	388.96	6.00	-62.96
C[C@@H]1C[C@H](C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC(C)(C)C1	REAL300005313055	0	56	0.0	-66.91	393.99	10.03	-56.88
C[C@@H]1C[C@H](C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC(C)(C)C1	REAL300005313055	1	56	0.0	-65.75	393.34	9.92	-55.83
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=N1	REAL300005313056	0	48	0.0	-70.80	367.91	4.57	-66.23
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=N1	REAL300005313056	1	48	0.0	-63.99	369.81	4.26	-59.73
CC(C)CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005313057	0	55	0.0	-60.57	379.38	9.61	-50.96
CC(C)CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005313057	1	55	0.0	-65.84	379.89	9.31	-56.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CCC(C4)C3(C)C)C[C@H]2C1	REAL300005313058	0	54	0.0	-73.42	361.55	9.61	-63.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CCC(C4)C3(C)C)C[C@H]2C1	REAL300005313058	1	54	0.0	-66.66	365.00	9.56	-57.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4C=CC(C(F)(F)F)=NC4=N3)C[C@H]2C1	REAL300005313059	0	45	0.0	-73.31	371.04	10.09	-63.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4C=CC(C(F)(F)F)=NC4=N3)C[C@H]2C1	REAL300005313059	1	45	0.0	-66.60	366.95	10.17	-56.43
C[C@@H](C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=NN=N1	REAL300005313060	0	42	0.0	-50.79	323.45	6.09	-44.70
C[C@@H](C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=NN=N1	REAL300005313060	1	42	0.0	-82.35	322.13	5.60	-76.75
COC1=CC=CC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313061	0	48	0.0	-61.64	365.69	8.17	-53.47
COC1=CC=CC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313061	1	48	0.0	-72.22	363.32	8.25	-63.97
CC(C)C1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313062	0	50	0.0	-70.03	384.58	10.40	-59.63
CC(C)C1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313062	1	50	0.0	-66.13	385.33	10.33	-55.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CS4)CC3)C[C@H]2C1	REAL300005313063	0	45	0.0	-53.04	342.68	9.10	-43.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CS4)CC3)C[C@H]2C1	REAL300005313063	1	45	0.0	-61.65	356.40	9.16	-52.49
CCC(C)(COCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313064	0	60	0.0	-62.84	434.70	10.49	-52.35
CCC(C)(COCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313064	1	60	0.0	-64.02	431.91	10.52	-53.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCOCC4)CC3)C[C@H]2C1	REAL300005313065	0	52	0.0	-63.31	372.76	7.74	-55.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCOCC4)CC3)C[C@H]2C1	REAL300005313065	1	52	0.0	-67.78	372.47	7.84	-59.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC4CCC(C3)S4)C[C@H]2C1	REAL300005313066	0	52	0.0	-72.96	348.29	9.30	-63.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC4CCC(C3)S4)C[C@H]2C1	REAL300005313066	1	52	0.0	-69.50	353.77	8.94	-60.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC4CCC(C3)S4(=O)=O)C[C@H]2C1	REAL300005313067	0	54	0.0	-72.73	368.74	5.66	-67.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC4CCC(C3)S4(=O)=O)C[C@H]2C1	REAL300005313067	1	54	0.0	-84.73	357.23	5.45	-79.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCO[C@H]3C(F)(F)F)C[C@H]2C1	REAL300005313068	0	45	0.0	-65.03	345.52	6.45	-58.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCO[C@H]3C(F)(F)F)C[C@H]2C1	REAL300005313068	1	45	0.0	-64.96	342.96	6.30	-58.66
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CS2)=NO1	REAL300005313069	0	47	0.0	-67.00	378.03	9.03	-57.97
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CS2)=NO1	REAL300005313069	1	47	0.0	-56.82	385.55	9.26	-47.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CC4=C3OCC4)C[C@H]2C1	REAL300005313070	0	50	0.0	-56.15	372.01	7.07	-49.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CC4=C3OCC4)C[C@H]2C1	REAL300005313070	1	50	0.0	-68.45	374.03	6.64	-61.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(O)C3CCCC3)C[C@H]2C1	REAL300005313071	0	51	0.0	-66.56	369.14	7.33	-59.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(O)C3CCCC3)C[C@H]2C1	REAL300005313071	1	51	0.0	-68.39	368.75	7.29	-61.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(CC(F)(F)F)C=C3)C[C@H]2C1	REAL300005313072	0	44	0.0	-59.17	354.90	7.69	-51.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(CC(F)(F)F)C=C3)C[C@H]2C1	REAL300005313072	1	44	0.0	-68.89	355.34	7.57	-61.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=C(OC(F)F)C=C3)C[C@H]2C1	REAL300005313073	0	52	0.0	-64.54	405.28	9.99	-54.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=C(OC(F)F)C=C3)C[C@H]2C1	REAL300005313073	1	52	0.0	-68.89	404.88	9.94	-58.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3(C)CCCC3)C[C@H]2C1	REAL300005313074	0	51	0.0	-63.91	370.21	8.86	-55.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3(C)CCCC3)C[C@H]2C1	REAL300005313074	1	51	0.0	-63.90	370.22	8.86	-55.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C=N3)C[C@H]2C1	REAL300005313075	0	46	0.0	-74.55	351.76	9.40	-65.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C=N3)C[C@H]2C1	REAL300005313075	1	46	0.0	-71.26	352.14	9.42	-61.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CC(F)(F)C3)C[C@H]2C1	REAL300005313076	0	47	0.0	-73.53	359.77	9.10	-64.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CC(F)(F)C3)C[C@H]2C1	REAL300005313076	1	47	0.0	-69.64	359.95	9.15	-60.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC(Cl)=CC=C4C3)C[C@H]2C1	REAL300005313077	0	49	0.0	-59.36	383.70	9.66	-49.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4=CC(Cl)=CC=C4C3)C[C@H]2C1	REAL300005313077	1	49	0.0	-65.26	380.27	9.13	-56.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)C[C@H]2C1	REAL300005313078	0	46	0.0	-60.64	336.01	7.02	-53.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)C[C@H]2C1	REAL300005313078	1	46	0.0	-65.95	338.94	6.84	-59.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3COCC(C)(C)O3)C[C@H]2C1	REAL300005313079	0	52	0.0	-63.95	380.89	7.39	-56.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3COCC(C)(C)O3)C[C@H]2C1	REAL300005313079	1	52	0.0	-66.70	379.02	7.34	-59.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC(C)(C)C3)C[C@H]2C1	REAL300005313080	0	51	0.0	-50.66	361.51	7.41	-43.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC(C)(C)C3)C[C@H]2C1	REAL300005313080	1	51	0.0	-63.26	363.17	7.31	-55.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCC(F)(F)F)C[C@H]2C1	REAL300005313081	0	46	0.0	-63.35	359.65	9.20	-54.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCC(F)(F)F)C[C@H]2C1	REAL300005313081	1	46	0.0	-68.84	359.60	8.84	-60.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@@H](OC(F)F)C3)C[C@H]2C1	REAL300005313082	0	45	0.0	-68.45	347.35	6.65	-61.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@@H](OC(F)F)C3)C[C@H]2C1	REAL300005313082	1	45	0.0	-65.45	345.66	6.75	-58.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CC3(C)C)C[C@H]2C1	REAL300005313083	0	50	0.0	-62.22	370.15	9.95	-52.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3CC3(C)C)C[C@H]2C1	REAL300005313083	1	50	0.0	-68.65	370.10	9.61	-59.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(C)(C)C)=N3)C[C@H]2C1	REAL300005313084	0	52	0.0	-60.52	379.88	9.46	-51.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(C)(C)C)=N3)C[C@H]2C1	REAL300005313084	1	52	0.0	-66.64	382.88	9.42	-57.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4C=NC=N4)=N3)C[C@H]2C1	REAL300005313085	0	46	0.0	-58.54	361.82	10.72	-47.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(N4C=NC=N4)=N3)C[C@H]2C1	REAL300005313085	1	46	0.0	-67.90	360.32	10.71	-57.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4N(CCNS4(=O)=O)N=C3)C[C@H]2C1	REAL300005313086	0	47	0.0	-74.36	363.91	1.80	-72.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4N(CCNS4(=O)=O)N=C3)C[C@H]2C1	REAL300005313086	1	47	0.0	-86.91	364.16	1.64	-85.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C(C)(C)C)C[C@H]2C1	REAL300005313087	0	50	0.0	-59.15	358.08	7.74	-51.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C(C)(C)C)C[C@H]2C1	REAL300005313087	1	50	0.0	-65.03	358.50	7.63	-57.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCC[C@H]3C3CC3)C[C@H]2C1	REAL300005313088	0	51	0.0	-73.78	365.98	9.84	-63.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCC[C@H]3C3CC3)C[C@H]2C1	REAL300005313088	1	51	0.0	-67.64	369.60	9.77	-57.87
CC1=NC2=C(CCCC2CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005313089	0	53	0.0	-77.23	390.79	7.89	-69.34
CC1=NC2=C(CCCC2CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005313089	1	53	0.0	-76.11	392.35	7.80	-68.31
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CN=CC=C12	REAL300005313090	0	50	0.0	-57.89	378.39	7.79	-50.10
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CN=CC=C12	REAL300005313090	1	50	0.0	-81.03	376.70	7.85	-73.18
CCCCCC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313091	0	59	0.0	-63.17	445.89	12.86	-50.31
CCCCCC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313091	1	59	0.0	-66.58	445.25	12.80	-53.78
COC1CCCC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313092	0	48	0.0	-69.70	350.12	7.07	-62.63
COC1CCCC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313092	1	48	0.0	-67.31	352.28	6.99	-60.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCCC43)C[C@H]2C1	REAL300005313093	0	48	0.0	-62.01	347.50	9.08	-52.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCCC43)C[C@H]2C1	REAL300005313093	1	48	0.0	-65.96	345.58	8.98	-56.98
CCCCC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005313094	0	49	0.0	-64.61	379.99	8.21	-56.40
CCCCC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005313094	1	49	0.0	-70.78	380.60	8.19	-62.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(COC(C)(C)C)S3)C[C@H]2C1	REAL300005313095	0	53	0.0	-52.53	405.13	7.14	-45.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(COC(C)(C)C)S3)C[C@H]2C1	REAL300005313095	1	53	0.0	-66.80	406.57	7.02	-59.78
CCC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005313096	0	43	0.0	-57.89	340.32	7.27	-50.62
CCC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005313096	1	43	0.0	-66.75	340.74	7.13	-59.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC=C3C3CC3)C[C@H]2C1	REAL300005313097	0	45	0.0	-74.28	339.98	7.18	-67.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC=C3C3CC3)C[C@H]2C1	REAL300005313097	1	45	0.0	-69.47	341.55	7.01	-62.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4CC4CC3)C[C@H]2C1	REAL300005313098	0	51	0.0	-61.15	353.09	9.39	-51.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4CC4CC3)C[C@H]2C1	REAL300005313098	1	51	0.0	-62.84	360.05	9.60	-53.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC=CCC3)C[C@H]2C1	REAL300005313099	0	51	0.0	-72.59	362.88	9.75	-62.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC=CCC3)C[C@H]2C1	REAL300005313099	1	51	0.0	-68.89	363.10	9.82	-59.07
CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313100	0	46	0.0	-59.06	349.32	7.48	-51.58
CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313100	1	46	0.0	-65.38	354.65	7.56	-57.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CCCOCC3)C[C@H]2C1	REAL300005313101	0	46	0.0	-65.57	339.38	6.71	-58.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CCCOCC3)C[C@H]2C1	REAL300005313101	1	46	0.0	-53.33	332.35	6.43	-46.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CCCC(C)(C)C3)C[C@H]2C1	REAL300005313102	0	51	0.0	-61.98	369.23	9.43	-52.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CCCC(C)(C)C3)C[C@H]2C1	REAL300005313102	1	51	0.0	-63.28	365.37	9.49	-53.79
COCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCO1	REAL300005313103	0	52	0.0	-53.23	359.02	7.16	-46.07
COCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCO1	REAL300005313103	1	52	0.0	-59.20	365.88	6.68	-52.52
CC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C(F)(F)F	REAL300005313104	0	47	0.0	-63.95	361.44	9.47	-54.48
CC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C(F)(F)F	REAL300005313104	1	47	0.0	-77.96	361.93	9.40	-68.56
CN(C)C1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=CC=C1	REAL300005313105	0	52	0.0	-52.78	399.21	8.93	-43.85
CN(C)C1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=CC=C1	REAL300005313105	1	52	0.0	-71.33	400.20	8.83	-62.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC3(C3=CC=NC=C3)CC4)C[C@H]2C1	REAL300005313106	0	54	0.0	-67.07	389.77	9.98	-57.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC3(C3=CC=NC=C3)CC4)C[C@H]2C1	REAL300005313106	1	54	0.0	-72.69	392.22	9.74	-62.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005313107	0	48	0.0	-69.80	377.97	10.51	-59.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005313107	1	48	0.0	-72.40	377.59	10.45	-61.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3CCCCCCC3)C[C@H]2C1	REAL300005313108	0	57	0.0	-60.63	381.59	8.24	-52.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3CCCCCCC3)C[C@H]2C1	REAL300005313108	1	57	0.0	-63.45	384.61	7.82	-55.63
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2CCCCC2=N1	REAL300005313109	0	53	0.0	-67.67	386.05	9.25	-58.42
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2CCCCC2=N1	REAL300005313109	1	53	0.0	-63.41	387.65	9.18	-54.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CN=C3)C[C@H]2C1	REAL300005313110	0	44	0.0	-65.17	339.55	7.82	-57.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CN=C3)C[C@H]2C1	REAL300005313110	1	44	0.0	-65.27	341.70	7.74	-57.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(O)(C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005313111	0	55	0.0	-79.16	402.76	8.11	-71.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(O)(C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005313111	1	55	0.0	-69.42	402.69	8.07	-61.35
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313112	0	55	0.0	-77.79	410.41	7.64	-70.15
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313112	1	55	0.0	-71.49	412.10	7.60	-63.89
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313113	0	52	0.0	-69.44	388.40	6.77	-62.67
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313113	1	52	0.0	-69.63	390.48	6.76	-62.87
CC1=C([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005313114	0	55	0.0	-63.11	404.91	7.28	-55.83
CC1=C([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C	REAL300005313114	1	55	0.0	-68.11	406.08	7.15	-60.96
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1=CC=C(F)C=C1	REAL300005313115	0	51	0.0	-74.73	393.85	9.65	-65.08
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C1=CC=C(F)C=C1	REAL300005313115	1	51	0.0	-69.93	395.40	9.50	-60.43
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313116	0	55	0.0	-66.14	404.14	7.67	-58.47
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313116	1	55	0.0	-57.63	403.83	7.59	-50.04
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C(C)C)O1	REAL300005313117	0	56	0.0	-64.43	414.29	10.48	-53.95
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C(C)C)O1	REAL300005313117	1	56	0.0	-70.83	413.93	10.49	-60.34
COC1=CC=C(N2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)C=C1	REAL300005313118	0	51	0.0	-68.32	395.32	7.58	-60.74
COC1=CC=C(N2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)C=C1	REAL300005313118	1	51	0.0	-66.41	397.06	7.43	-58.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NN=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005313119	0	49	0.0	-87.98	380.24	7.93	-80.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NN=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005313119	1	49	0.0	-81.81	381.38	7.87	-73.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CC4)O3)C[C@H]2C1	REAL300005313120	0	45	0.0	-57.74	347.69	8.85	-48.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CC4)O3)C[C@H]2C1	REAL300005313120	1	45	0.0	-67.28	344.50	8.66	-58.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CC=N4)N=C3)C[C@H]2C1	REAL300005313121	0	48	0.0	-59.94	371.86	7.64	-52.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4=CC=CC=N4)N=C3)C[C@H]2C1	REAL300005313121	1	48	0.0	-70.22	368.89	7.14	-63.08
COC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005313122	0	51	0.0	-65.88	384.36	8.86	-57.02
COC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005313122	1	51	0.0	-69.81	384.39	8.79	-61.02
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C(F)F	REAL300005313123	0	44	0.0	-62.96	342.90	6.99	-55.97
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C(F)F	REAL300005313123	1	44	0.0	-67.48	348.16	6.95	-60.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005313124	0	50	0.0	-71.34	384.52	10.97	-60.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC3C3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005313124	1	50	0.0	-65.54	385.59	10.92	-54.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005313125	0	53	0.0	-68.23	419.13	7.80	-60.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005313125	1	53	0.0	-75.50	419.08	7.45	-68.05
CC(C)CC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005313126	0	49	0.0	-65.13	375.64	7.87	-57.26
CC(C)CC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005313126	1	49	0.0	-70.76	377.26	8.09	-62.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4CCCCC4)=C3)C[C@H]2C1	REAL300005313127	0	54	0.0	-75.49	404.27	11.00	-64.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4CCCCC4)=C3)C[C@H]2C1	REAL300005313127	1	54	0.0	-66.68	403.22	10.87	-55.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@H]2C1	REAL300005313128	0	49	0.0	-60.76	353.48	9.66	-51.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@H]2C1	REAL300005313128	1	49	0.0	-68.97	352.79	9.61	-59.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(CC(C)(C)C)S3)C[C@H]2C1	REAL300005313129	0	52	0.0	-64.90	392.31	8.45	-56.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(CC(C)(C)C)S3)C[C@H]2C1	REAL300005313129	1	52	0.0	-66.68	393.28	8.44	-58.24
CC1CC2CC2CC1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313130	0	51	0.0	-66.36	362.47	9.54	-56.82
CC1CC2CC2CC1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313130	1	51	0.0	-63.88	349.72	9.33	-54.55
CCCC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313131	0	50	0.0	-77.68	365.84	10.11	-67.57
CCCC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313131	1	50	0.0	-64.35	371.24	10.04	-54.31
COC12CCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)(CC1)CC2	REAL300005313132	0	55	0.0	-74.55	374.69	7.62	-66.93
COC12CCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)(CC1)CC2	REAL300005313132	1	55	0.0	-62.95	373.92	7.56	-55.39
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313133	0	58	0.0	-67.61	420.88	8.69	-58.92
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313133	1	58	0.0	-72.03	429.64	8.11	-63.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NOC(C4CC4)=C3)C[C@H]2C1	REAL300005313134	0	47	0.0	-71.56	366.43	8.85	-62.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NOC(C4CC4)=C3)C[C@H]2C1	REAL300005313134	1	47	0.0	-74.95	365.63	8.80	-66.15
CCC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN1	REAL300005313135	0	44	0.0	-61.31	334.26	6.78	-54.53
CCC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN1	REAL300005313135	1	44	0.0	-68.28	336.58	6.68	-61.60
CCC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005313135	1	44	0.0	-63.54	332.33	6.90	-56.64
CCC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005313135	1	44	0.0	-74.45	332.71	6.55	-67.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3)C[C@H]2C1	REAL300005313136	0	45	0.0	-65.65	344.68	9.58	-56.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3)C[C@H]2C1	REAL300005313136	1	45	0.0	-64.84	346.82	9.50	-55.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005313137	0	45	0.0	-69.26	358.93	10.01	-59.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3Cl)C[C@H]2C1	REAL300005313137	1	45	0.0	-67.14	361.08	9.93	-57.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005313138	0	45	0.0	-68.88	351.09	9.65	-59.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005313138	1	45	0.0	-66.47	353.24	9.57	-56.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Br)O3)C[C@H]2C1	REAL300005313139	0	42	0.0	-60.53	348.90	8.48	-52.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Br)O3)C[C@H]2C1	REAL300005313139	1	42	0.0	-62.58	351.05	8.42	-54.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SC=NC4=C3)C[C@H]2C1	REAL300005313140	0	43	0.0	-52.07	336.71	7.28	-44.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SC=NC4=C3)C[C@H]2C1	REAL300005313140	1	43	0.0	-79.68	339.33	7.35	-72.33
CSC1=CC=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313141	0	51	0.0	-62.59	398.64	11.30	-51.29
CSC1=CC=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313141	1	51	0.0	-69.69	398.60	10.95	-58.74
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313142	0	46	0.0	-86.17	363.49	9.30	-76.87
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313142	1	46	0.0	-79.58	361.52	9.40	-70.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(P(C)(C)=O)C=C3)C[C@H]2C1	REAL300005313143	0	50	0.0	-77.08	389.35	7.56	-69.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(P(C)(C)=O)C=C3)C[C@H]2C1	REAL300005313143	1	50	0.0	-75.49	383.85	7.30	-68.19
COC1=CC(=O)NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313144	0	45	0.0	-60.24	352.95	4.60	-55.64
COC1=CC(=O)NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313144	1	45	0.0	-63.62	352.21	4.54	-59.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(N4C=CC=C4)=CC=C3Cl)C[C@H]2C1	REAL300005313145	0	49	0.0	-75.68	385.37	11.28	-64.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(N4C=CC=C4)=CC=C3Cl)C[C@H]2C1	REAL300005313145	1	49	0.0	-64.48	387.00	11.26	-53.22
CCCCS(=O)(=O)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313146	0	49	0.0	-91.94	382.77	5.59	-86.35
CCCCS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313146	1	49	0.0	-86.28	382.96	5.61	-80.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCCCCC3)C[C@H]2C1	REAL300005313147	0	54	0.0	-77.13	385.69	9.56	-67.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCCCCC3)C[C@H]2C1	REAL300005313147	1	54	0.0	-70.96	386.73	9.50	-61.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C[C@H]2C1	REAL300005313148	0	51	0.0	-61.56	358.67	9.65	-51.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C[C@H]2C1	REAL300005313148	1	51	0.0	-64.84	357.86	9.60	-55.24
COC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCCC1	REAL300005313149	0	54	0.0	-62.31	364.20	8.53	-53.78
COC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCCCC1	REAL300005313149	1	54	0.0	-64.75	363.61	8.41	-56.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3CCCCC4)C[C@H]2C1	REAL300005313150	0	54	0.0	-76.44	382.11	10.86	-65.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3CCCCC4)C[C@H]2C1	REAL300005313150	1	54	0.0	-69.65	384.66	10.87	-58.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN(CC(F)(F)F)C=C3)C[C@H]2C1	REAL300005313151	0	47	0.0	-85.52	378.05	8.19	-77.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=NN(CC(F)(F)F)C=C3)C[C@H]2C1	REAL300005313151	1	47	0.0	-77.53	379.23	8.15	-69.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3CCC3)C[C@H]2C1	REAL300005313152	0	51	0.0	-64.61	373.66	10.60	-54.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3CCC3)C[C@H]2C1	REAL300005313152	1	51	0.0	-73.27	370.58	10.39	-62.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3N3C=CC=C3)C[C@H]2C1	REAL300005313153	0	49	0.0	-81.62	371.03	11.07	-70.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3N3C=CC=C3)C[C@H]2C1	REAL300005313153	1	49	0.0	-75.49	374.84	10.99	-64.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3N3CCOCC3)C[C@H]2C1	REAL300005313154	0	53	0.0	-64.40	392.74	5.88	-58.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3N3CCOCC3)C[C@H]2C1	REAL300005313154	1	53	0.0	-73.28	393.19	5.73	-67.55
CCOC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300005313155	0	54	0.0	-77.77	412.31	10.67	-67.10
CCOC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300005313155	1	54	0.0	-76.35	409.83	10.52	-65.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C(F)C3=CC=CC=C3)C[C@H]2C1	REAL300005313156	0	53	0.0	-72.54	383.37	10.21	-62.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C(F)C3=CC=CC=C3)C[C@H]2C1	REAL300005313156	1	53	0.0	-67.17	379.09	10.26	-56.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4(C)CC4)C=C3)C[C@H]2C1	REAL300005313157	0	51	0.0	-76.41	376.41	10.49	-65.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4(C)CC4)C=C3)C[C@H]2C1	REAL300005313157	1	51	0.0	-61.04	375.91	10.39	-50.65
CC(C)CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005313158	0	50	0.0	-76.74	380.08	9.73	-67.01
CC(C)CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005313158	1	50	0.0	-69.13	381.01	9.78	-59.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C4OCCCC4=C3)C[C@H]2C1	REAL300005313159	0	55	0.0	-62.71	412.14	10.90	-51.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C4OCCCC4=C3)C[C@H]2C1	REAL300005313159	1	55	0.0	-69.72	412.08	10.55	-59.17
CC1=NN(C2=CC=CC=C2)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313160	0	51	0.0	-65.65	385.81	9.65	-56.00
CC1=NN(C2=CC=CC=C2)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313160	1	51	0.0	-72.21	382.59	9.44	-62.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(=O)C4=CC=CC=C4)=CN3)C[C@H]2C1	REAL300005313161	0	51	0.0	-72.55	392.87	9.53	-63.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(=O)C4=CC=CC=C4)=CN3)C[C@H]2C1	REAL300005313161	1	51	0.0	-85.37	392.63	9.55	-75.82
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313162	0	51	0.0	-77.78	394.84	9.47	-68.31
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313162	1	51	0.0	-67.14	393.48	9.34	-57.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CC4)C=C3)C[C@H]2C1	REAL300005313163	0	49	0.0	-67.73	369.78	8.96	-58.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4CC4)C=C3)C[C@H]2C1	REAL300005313163	1	49	0.0	-53.31	366.49	8.87	-44.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC4=NC=NC=C43)C[C@H]2C1	REAL300005313164	0	44	0.0	-59.67	337.64	7.25	-52.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC4=NC=NC=C43)C[C@H]2C1	REAL300005313164	1	44	0.0	-66.89	334.53	6.99	-59.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CC(C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005313165	0	52	0.0	-62.73	384.35	7.80	-54.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CC(C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005313165	1	52	0.0	-66.14	384.13	7.85	-58.29
COC1=C(Cl)C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313166	0	45	0.0	-80.26	358.51	8.88	-71.38
COC1=C(Cl)C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313166	1	45	0.0	-78.66	354.12	8.86	-69.80
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C(C)C)N1	REAL300005313167	0	57	0.0	-65.12	415.84	9.67	-55.45
CC(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C(C)C)N1	REAL300005313167	1	57	0.0	-68.49	416.14	9.56	-58.93
CCCOC1=CC=C2NC=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005313168	0	58	0.0	-69.54	440.44	10.11	-59.43
CCCOC1=CC=C2NC=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005313168	1	58	0.0	-63.69	441.44	10.11	-53.58
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2CCCCN12	REAL300005313169	0	51	0.0	-73.60	373.79	9.50	-64.10
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2CCCCN12	REAL300005313169	1	51	0.0	-61.65	373.74	9.47	-52.18
CC1=NOC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313170	0	43	0.0	-71.12	332.59	7.10	-64.02
CC1=NOC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313170	1	43	0.0	-69.48	334.62	7.02	-62.46
CC1=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C(F)(F)F)O1	REAL300005313171	0	47	0.0	-61.90	377.88	9.23	-52.67
CC1=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C(F)(F)F)O1	REAL300005313171	1	47	0.0	-64.55	377.20	8.72	-55.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4CCOCC4=C3)C[C@H]2C1	REAL300005313172	0	47	0.0	-65.12	349.62	6.90	-58.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4CCOCC4=C3)C[C@H]2C1	REAL300005313172	1	47	0.0	-71.04	349.80	6.78	-64.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CC3=CC=CC=C3)C3CC3)C[C@H]2C1	REAL300005313173	0	54	0.0	-71.08	406.28	11.69	-59.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CC3=CC=CC=C3)C3CC3)C[C@H]2C1	REAL300005313173	1	54	0.0	-62.78	403.35	11.78	-51.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=CC=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005313174	0	51	0.0	-82.44	389.36	9.49	-72.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=CC=C3C3=CC=CC=C3)C[C@H]2C1	REAL300005313174	1	51	0.0	-75.58	390.59	9.44	-66.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4CC4C3)C[C@H]2C1	REAL300005313175	0	51	0.0	-62.85	364.59	10.34	-52.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4CC4C3)C[C@H]2C1	REAL300005313175	1	51	0.0	-64.71	361.40	10.02	-54.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=CC=CN=C4)=N3)C[C@H]2C1	REAL300005313176	0	46	0.0	-57.15	371.89	7.85	-49.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(C4=CC=CN=C4)=N3)C[C@H]2C1	REAL300005313176	1	46	0.0	-66.81	372.31	7.71	-59.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4F)OC=N3)C[C@H]2C1	REAL300005313177	0	47	0.0	-73.41	369.92	7.58	-65.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=CC=C4F)OC=N3)C[C@H]2C1	REAL300005313177	1	47	0.0	-67.54	372.19	7.36	-60.18
CC1=NSC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313178	0	40	0.0	-64.13	316.40	6.22	-57.91
CC1=NSC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313178	1	40	0.0	-67.86	316.09	6.25	-61.61
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CN1	REAL300005313179	0	48	0.0	-52.59	352.35	7.79	-44.80
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CN1	REAL300005313179	1	48	0.0	-63.00	354.36	7.76	-55.24
CC1=CN=C2C(=C1)C=NN2CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313180	0	49	0.0	-81.46	381.60	8.46	-73.00
CC1=CN=C2C(=C1)C=NN2CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313180	1	49	0.0	-72.01	382.80	8.41	-63.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CCCCO4)N=C3)C[C@H]2C1	REAL300005313181	0	55	0.0	-62.94	409.07	7.95	-54.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CCCCO4)N=C3)C[C@H]2C1	REAL300005313181	1	55	0.0	-69.01	407.62	7.79	-61.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=C3CCCCCC4)C[C@H]2C1	REAL300005313182	0	54	0.0	-65.45	383.61	10.48	-54.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=C3CCCCCC4)C[C@H]2C1	REAL300005313182	1	54	0.0	-61.65	386.15	10.44	-51.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CN4C=N3)C[C@H]2C1	REAL300005313183	0	44	0.0	-63.24	338.18	10.07	-53.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CN4C=N3)C[C@H]2C1	REAL300005313183	1	44	0.0	-74.36	335.04	9.84	-64.52
CC1=CC=CN2N=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005313184	0	47	0.0	-63.13	360.27	8.84	-54.29
CC1=CC=CN2N=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C12	REAL300005313184	1	47	0.0	-71.88	358.76	8.64	-63.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=C3CCC(C)(C)C4)C[C@H]2C1	REAL300005313185	0	54	0.0	-65.26	397.46	10.56	-54.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=C3CCC(C)(C)C4)C[C@H]2C1	REAL300005313185	1	54	0.0	-67.67	394.16	10.42	-57.25
CC1=CC2=CC=NC=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313186	0	49	0.0	-83.94	369.98	9.10	-74.84
CC1=CC2=CC=NC=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313186	1	49	0.0	-68.38	372.35	9.09	-59.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCOCCOC(C)(C)C)C[C@H]2C1	REAL300005313187	0	57	0.0	-61.41	422.33	7.90	-53.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCOCCOC(C)(C)C)C[C@H]2C1	REAL300005313187	1	57	0.0	-70.18	422.28	7.55	-62.63
CC(C)C1CCC2=C(C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)C1	REAL300005313188	0	57	0.0	-64.08	417.46	11.24	-52.84
CC(C)C1CCC2=C(C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)C1	REAL300005313188	1	57	0.0	-67.74	415.76	11.29	-56.45
CN1N=CC2=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C21	REAL300005313189	0	46	0.0	-67.19	351.29	5.98	-61.21
CN1N=CC2=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C21	REAL300005313189	1	46	0.0	-70.07	351.64	5.89	-64.18
CCOCCOCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313190	0	51	0.0	-61.63	388.03	6.75	-54.88
CCOCCOCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313190	1	51	0.0	-70.28	387.98	6.40	-63.88
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313191	0	51	0.0	-63.85	393.55	9.84	-54.01
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313191	1	51	0.0	-70.39	392.83	9.71	-60.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3(C)CCOCC3)C[C@H]2C1	REAL300005313192	0	52	0.0	-65.72	378.24	7.17	-58.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3(C)CCOCC3)C[C@H]2C1	REAL300005313192	1	52	0.0	-64.94	376.39	7.12	-57.82
CC1=CC=CN2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C12	REAL300005313193	0	50	0.0	-79.53	384.79	10.05	-69.48
CC1=CC=CN2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C12	REAL300005313193	1	50	0.0	-71.08	382.01	10.12	-60.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3CCCO3)C[C@H]2C1	REAL300005313194	0	49	0.0	-59.84	363.71	7.98	-51.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3CCCO3)C[C@H]2C1	REAL300005313194	1	49	0.0	-72.03	366.61	7.69	-64.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005313195	0	50	0.0	-84.65	397.48	6.59	-78.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C1	REAL300005313195	1	50	0.0	-80.56	397.68	6.64	-73.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CS4)CC4(CCC4)C3)C[C@H]2C1	REAL300005313196	0	55	0.0	-68.87	413.97	11.35	-57.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CS4)CC4(CCC4)C3)C[C@H]2C1	REAL300005313196	1	55	0.0	-62.06	410.82	11.20	-50.86
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=CO1	REAL300005313197	0	51	0.0	-61.89	395.98	10.99	-50.90
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=CO1	REAL300005313197	1	51	0.0	-68.76	386.50	10.33	-58.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C=CC=C3OCC3CC3)C[C@H]2C1	REAL300005313198	0	52	0.0	-74.86	414.62	10.51	-64.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C=CC=C3OCC3CC3)C[C@H]2C1	REAL300005313198	1	52	0.0	-69.33	415.79	10.47	-58.86
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CCCCC2)=NO1	REAL300005313199	0	56	0.0	-59.54	419.49	10.79	-48.75
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CCCCC2)=NO1	REAL300005313199	1	56	0.0	-64.28	420.59	10.35	-53.93
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CCCC2)=NO1	REAL300005313200	0	53	0.0	-59.62	401.09	10.14	-49.48
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2CCCC2)=NO1	REAL300005313200	1	53	0.0	-65.46	398.50	9.61	-55.85
CC1=CSC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313201	0	44	0.0	-75.19	349.81	8.88	-66.31
CC1=CSC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313201	1	44	0.0	-67.33	349.58	8.79	-58.54
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313202	0	54	0.0	-75.98	418.86	11.17	-64.81
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313202	1	54	0.0	-66.38	420.55	10.99	-55.39
CN1C=C(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCO2)C=N1	REAL300005313203	0	52	0.0	-61.43	382.28	6.81	-54.62
CN1C=C(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCCO2)C=N1	REAL300005313203	1	52	0.0	-69.13	383.53	6.87	-62.26
COCCOC1=CC=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313204	0	56	0.0	-70.77	429.63	9.07	-61.70
COCCOC1=CC=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313204	1	56	0.0	-68.92	431.78	9.00	-59.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3N3C=CC=N3)C[C@H]2C1	REAL300005313205	0	52	0.0	-66.92	404.77	11.05	-55.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3N3C=CC=N3)C[C@H]2C1	REAL300005313205	1	52	0.0	-72.67	404.40	10.96	-61.71
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313206	0	51	0.0	-66.67	400.88	11.10	-55.57
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313206	1	51	0.0	-65.03	403.04	11.03	-54.00
CC1=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300005313207	0	51	0.0	-61.72	401.51	11.09	-50.63
CC1=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300005313207	1	51	0.0	-65.15	401.14	11.02	-54.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(C4CC4)C=C3)C[C@H]2C1	REAL300005313208	0	52	0.0	-65.63	393.86	11.68	-53.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(C4CC4)C=C3)C[C@H]2C1	REAL300005313208	1	52	0.0	-64.73	396.01	11.61	-53.12
CCOC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005313209	0	55	0.0	-67.24	415.98	10.56	-56.68
CCOC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005313209	1	55	0.0	-66.00	418.13	10.49	-55.51
CC1=CC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300005313210	0	58	0.0	-67.20	433.90	11.19	-56.01
CC1=CC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300005313210	1	58	0.0	-65.96	436.05	11.11	-54.85
C=CCCCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313211	0	54	0.0	-68.72	408.03	11.55	-57.17
C=CCCCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313211	1	54	0.0	-69.15	402.53	11.29	-57.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC4=NSN=C43)C[C@H]2C1	REAL300005313212	0	45	0.0	-74.81	359.54	7.34	-67.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC4=NSN=C43)C[C@H]2C1	REAL300005313212	1	45	0.0	-65.10	358.52	7.50	-57.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCC4(CC4)S3(=O)=O)C[C@H]2C1	REAL300005313213	0	53	0.0	-80.72	404.26	6.20	-74.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCCC4(CC4)S3(=O)=O)C[C@H]2C1	REAL300005313213	1	53	0.0	-63.29	404.48	6.07	-57.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C1	REAL300005313214	0	45	0.0	-79.91	355.24	2.27	-77.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C1	REAL300005313214	1	45	0.0	-83.11	355.19	1.91	-81.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3CC3)C[C@H]2C1	REAL300005313216	0	48	0.0	-76.90	354.53	9.98	-66.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3CC3)C[C@H]2C1	REAL300005313216	1	48	0.0	-73.74	354.05	9.87	-63.87
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2N=C1	REAL300005313217	0	52	0.0	-61.73	396.36	9.85	-51.88
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2N=C1	REAL300005313217	1	52	0.0	-66.77	396.57	9.71	-57.06
CC1=CC(C)=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=N1	REAL300005313218	0	49	0.0	-65.44	382.99	8.72	-56.72
CC1=CC(C)=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=N1	REAL300005313218	1	49	0.0	-67.47	382.52	8.71	-58.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCO4)CCCO3)C[C@H]2C1	REAL300005313219	0	53	0.0	-59.65	372.14	6.95	-52.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCO4)CCCO3)C[C@H]2C1	REAL300005313219	1	53	0.0	-67.34	377.93	7.46	-59.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC=CS3)C[C@H]2C1	REAL300005313220	0	41	0.0	-60.89	332.30	6.92	-53.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC=CS3)C[C@H]2C1	REAL300005313220	1	41	0.0	-62.94	334.46	6.84	-56.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005313221	0	45	0.0	-70.83	356.58	9.69	-61.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(F)C=C3F)C[C@H]2C1	REAL300005313221	1	45	0.0	-67.60	358.73	9.61	-57.99
COC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005313222	0	48	0.0	-66.76	358.01	8.02	-58.74
COC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005313222	1	48	0.0	-75.37	357.88	8.07	-67.30
COC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CS1	REAL300005313223	0	42	0.0	-67.97	327.95	7.38	-60.59
COC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CS1	REAL300005313223	1	42	0.0	-73.03	324.71	7.20	-65.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN=CC(Br)=C3)C[C@H]2C1	REAL300005313224	0	46	0.0	-71.00	374.37	8.70	-62.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CN=CC(Br)=C3)C[C@H]2C1	REAL300005313224	1	46	0.0	-67.89	374.55	8.74	-59.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC(OC(F)F)=C3)C[C@H]2C1	REAL300005313225	0	45	0.0	-60.86	352.79	7.57	-53.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC(OC(F)F)=C3)C[C@H]2C1	REAL300005313225	1	45	0.0	-66.46	352.98	7.45	-59.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC3(C3=CC=CN=C3)CC4)C[C@H]2C1	REAL300005313226	0	54	0.0	-61.83	393.49	9.88	-51.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC3(C3=CC=CN=C3)CC4)C[C@H]2C1	REAL300005313226	1	54	0.0	-72.56	399.52	10.03	-62.53
COCC1(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005313227	0	54	0.0	-64.22	384.79	8.32	-55.90
COCC1(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300005313227	1	54	0.0	-61.54	386.42	8.33	-53.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC=CC3)C[C@H]2C1	REAL300005313228	0	43	0.0	-60.41	324.47	7.88	-52.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC=CC3)C[C@H]2C1	REAL300005313228	1	43	0.0	-70.74	322.59	7.66	-63.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCCCO3)C[C@H]2C1	REAL300005313229	0	55	0.0	-47.89	394.91	10.13	-37.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCCCO3)C[C@H]2C1	REAL300005313229	1	55	0.0	-57.01	392.96	10.04	-46.97
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313230	0	51	0.0	-74.57	392.81	10.40	-64.17
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313230	1	51	0.0	-69.04	393.58	10.24	-58.80
CN1N=C(C2CCOCC2)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313231	0	55	0.0	-74.54	403.41	7.19	-67.35
CN1N=C(C2CCOCC2)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313231	1	55	0.0	-64.81	402.11	7.06	-57.75
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=CC=C1F	REAL300005313232	0	51	0.0	-75.69	397.00	10.35	-65.34
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C1=CC=CC=C1F	REAL300005313232	1	51	0.0	-70.18	398.79	10.20	-59.98
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(S(N)(=O)=O)S1	REAL300005313233	0	46	0.0	-68.85	374.84	2.74	-66.11
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(S(N)(=O)=O)S1	REAL300005313233	1	46	0.0	-71.96	373.68	2.76	-69.20
CC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005313234	0	48	0.0	-68.85	365.70	8.57	-60.28
CC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005313234	1	48	0.0	-81.72	367.55	8.30	-73.42
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC2=CC=CC=C21	REAL300005313235	0	50	0.0	-65.32	382.25	10.70	-54.62
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC2=CC=CC=C21	REAL300005313235	1	50	0.0	-66.81	378.73	10.68	-56.13
C[C@H](CC1CCCCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313236	0	56	0.0	-47.79	397.04	10.45	-37.34
C[C@H](CC1CCCCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313236	1	56	0.0	-67.05	395.58	10.35	-56.70
CN1N=CC2=CC(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005313237	0	50	0.0	-71.00	387.23	9.11	-61.89
CN1N=CC2=CC(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005313237	1	50	0.0	-70.50	383.41	9.13	-61.37
CC1=CC(COCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005313238	0	47	0.0	-78.76	368.61	7.69	-71.07
CC1=CC(COCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005313238	1	47	0.0	-69.78	368.46	7.62	-62.16
CC1=CC=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C12	REAL300005313239	0	49	0.0	-67.87	368.55	9.13	-58.74
CC1=CC=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C12	REAL300005313239	1	49	0.0	-78.59	369.80	9.24	-69.35
CCCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005313240	0	50	0.0	-84.85	372.19	7.97	-76.88
CCCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005313240	1	50	0.0	-63.09	376.58	7.95	-55.14
CCCN1N=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005313241	0	50	0.0	-64.31	371.71	7.86	-56.45
CCCN1N=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005313241	1	50	0.0	-67.33	371.14	7.73	-59.60
COC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005313242	0	52	0.0	-67.22	391.60	9.41	-57.81
COC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005313242	1	52	0.0	-66.05	393.75	9.34	-56.71
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NN=C1C(F)(F)F	REAL300005313243	0	44	0.0	-61.71	347.54	6.50	-55.21
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NN=C1C(F)(F)F	REAL300005313243	1	44	0.0	-57.90	340.96	6.49	-51.41
CC1=C(C(F)(F)F)NN=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313243	1	44	0.0	-68.77	350.23	6.67	-62.10
CC1=C(C(F)(F)F)NN=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313243	1	44	0.0	-64.06	350.75	6.49	-57.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3N3C=CC=N3)C[C@H]2C1	REAL300005313244	0	47	0.0	-69.70	360.41	8.26	-61.44
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC=C3N3C=CC=N3)C[C@H]2C1	REAL300005313244	1	47	0.0	-81.29	361.96	7.96	-73.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=N3)C[C@H]2C1	REAL300005313245	0	44	0.0	-76.99	344.35	6.47	-70.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=N3)C[C@H]2C1	REAL300005313245	1	44	0.0	-71.67	345.39	6.41	-65.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCC(CO)CC3)C[C@H]2C1	REAL300005313247	1	53	0.0	-75.32	382.55	3.73	-71.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3CCC(CO)CC3)C[C@H]2C1	REAL300005313247	1	53	0.0	-71.29	381.60	3.65	-67.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC3=CC=C(O)C=C3)C[C@H]2C1	REAL300005313249	0	54	0.0	-66.35	390.07	7.33	-59.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC3=CC=C(O)C=C3)C[C@H]2C1	REAL300005313249	1	54	0.0	-62.97	385.88	7.37	-55.60
CC1=CC=CC=C1C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005313250	0	57	0.0	-71.24	422.62	12.60	-58.64
CC1=CC=CC=C1C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005313250	1	57	0.0	-64.96	419.32	12.42	-52.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCCO3)C[C@H]2C1	REAL300005313251	0	51	0.0	-76.57	356.02	6.93	-69.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3CCCO3)C[C@H]2C1	REAL300005313251	1	51	0.0	-75.67	355.25	7.58	-68.09
CC1=CC(Cl)=CC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313252	0	47	0.0	-55.95	368.42	9.91	-46.04
CC1=CC(Cl)=CC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313252	1	47	0.0	-65.18	370.17	9.95	-55.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CC3(CCC3)C4)C[C@H]2C1	REAL300005313253	0	55	0.0	-62.79	401.39	11.45	-51.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CC3(CCC3)C4)C[C@H]2C1	REAL300005313253	1	55	0.0	-68.53	400.81	11.11	-57.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NC4=CC=NN43)C[C@H]2C1	REAL300005313254	0	50	0.0	-73.24	390.31	9.36	-63.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NC4=CC=NN43)C[C@H]2C1	REAL300005313254	1	50	0.0	-64.83	388.67	9.21	-55.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4SC=CC4=NC=C3)C[C@H]2C1	REAL300005313255	0	43	0.0	-72.57	338.96	7.48	-65.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4SC=CC4=NC=C3)C[C@H]2C1	REAL300005313255	1	43	0.0	-63.60	342.85	7.46	-56.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C3COC4)C[C@H]2C1	REAL300005313256	0	43	0.0	-52.03	325.23	5.48	-46.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C3COC4)C[C@H]2C1	REAL300005313256	1	43	0.0	-53.50	325.62	5.47	-48.03
C=CCC1=CC=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313257	0	48	0.0	-77.93	357.73	9.88	-68.05
C=CCC1=CC=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313257	1	48	0.0	-64.26	363.61	9.88	-54.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(CC3)C4(C)C)C[C@H]2C1	REAL300005313258	0	54	0.0	-61.60	365.41	9.31	-52.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(CC3)C4(C)C)C[C@H]2C1	REAL300005313258	1	54	0.0	-69.21	364.66	9.25	-59.96
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1N	REAL300005313259	0	49	0.0	-56.58	375.46	6.05	-50.53
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1N	REAL300005313259	1	49	0.0	-66.60	376.56	6.13	-60.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(C)(F)F)CCOCC3)C[C@H]2C1	REAL300005313260	0	51	0.0	-51.71	350.82	6.73	-44.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(C)(F)F)CCOCC3)C[C@H]2C1	REAL300005313260	1	51	0.0	-71.33	351.71	7.04	-64.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCO4)CCC3)C[C@H]2C1	REAL300005313261	0	52	0.0	-63.40	356.10	7.81	-55.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCO4)CCC3)C[C@H]2C1	REAL300005313261	1	52	0.0	-60.02	355.10	7.97	-52.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCO4)CCCO3)C[C@H]2C1	REAL300005313262	0	56	0.0	-64.20	388.76	7.36	-56.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCO4)CCCO3)C[C@H]2C1	REAL300005313262	1	56	0.0	-61.06	390.06	8.18	-52.88
CC1=CC=CC(C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2CCCCC2)=C1	REAL300005313263	0	63	0.0	-72.39	453.58	13.14	-59.25
CC1=CC=CC(C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2CCCCC2)=C1	REAL300005313263	1	63	0.0	-68.48	455.07	13.08	-55.40
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=N1	REAL300005313264	0	51	0.0	-69.23	392.15	9.43	-59.80
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=N1	REAL300005313264	1	51	0.0	-70.77	392.54	9.29	-61.48
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CSC=C2)=NO1	REAL300005313265	0	47	0.0	-51.01	384.68	9.08	-41.93
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CSC=C2)=NO1	REAL300005313265	1	47	0.0	-65.70	381.15	9.20	-56.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Cl)C4=CC=CN=C34)C[C@H]2C1	REAL300005313266	0	49	0.0	-74.19	390.98	10.02	-64.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(Cl)C4=CC=CN=C34)C[C@H]2C1	REAL300005313266	1	49	0.0	-68.67	392.55	9.96	-58.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCC4)N=C3)C[C@H]2C1	REAL300005313267	0	50	0.0	-55.98	371.28	8.73	-47.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCC4)N=C3)C[C@H]2C1	REAL300005313267	1	50	0.0	-62.23	369.85	8.58	-53.65
CC1=CN2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=N1	REAL300005313268	0	44	0.0	-57.67	349.33	8.58	-49.09
CC1=CN2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=N1	REAL300005313268	1	44	0.0	-60.77	345.71	8.68	-52.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005313269	0	45	0.0	-59.23	357.48	7.33	-51.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005313269	1	45	0.0	-66.54	353.78	7.46	-59.08
CCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005313270	0	50	0.0	-71.58	389.37	10.64	-60.94
CCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005313270	1	50	0.0	-72.11	390.45	10.56	-61.55
CC1=CC=C2SC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=C1	REAL300005313271	0	49	0.0	-75.57	379.89	10.53	-65.04
CC1=CC=C2SC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=C1	REAL300005313271	1	49	0.0	-60.67	381.45	10.50	-50.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(C4CCC4)C=C3)C[C@H]2C1	REAL300005313272	0	54	0.0	-73.83	402.56	11.66	-62.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(C4CCC4)C=C3)C[C@H]2C1	REAL300005313272	1	54	0.0	-68.43	403.87	11.60	-56.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CON=C3)C[C@H]2C1	REAL300005313273	0	43	0.0	-74.08	333.18	7.27	-66.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CON=C3)C[C@H]2C1	REAL300005313273	1	43	0.0	-69.77	334.50	7.22	-62.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005313274	0	49	0.0	-71.66	376.75	10.00	-61.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4=CC=CC=C4)=N3)C[C@H]2C1	REAL300005313274	1	49	0.0	-67.08	375.63	9.81	-57.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)OC4=CC=CC=C43)C[C@H]2C1	REAL300005313275	0	47	0.0	-49.41	378.41	9.89	-39.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C(F)(F)F)OC4=CC=CC=C43)C[C@H]2C1	REAL300005313275	1	47	0.0	-64.90	383.11	9.82	-55.08
CC1=CC(C2CC2)=NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313276	0	50	0.0	-74.27	371.55	8.79	-65.48
CC1=CC(C2CC2)=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313276	1	50	0.0	-66.39	374.64	8.77	-57.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC3(C3=CC=CC=N3)CC4)C[C@H]2C1	REAL300005313277	0	54	0.0	-67.81	390.76	10.84	-56.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC3(C3=CC=CC=N3)CC4)C[C@H]2C1	REAL300005313277	1	54	0.0	-73.08	397.58	10.35	-62.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CCOCC43)C[C@H]2C1	REAL300005313278	0	46	0.0	-62.99	328.72	6.84	-56.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CCOCC43)C[C@H]2C1	REAL300005313278	1	46	0.0	-67.33	327.69	8.50	-58.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=NC=C3)C[C@H]2C1	REAL300005313279	0	47	0.0	-69.31	359.74	8.67	-60.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=NC=C3)C[C@H]2C1	REAL300005313279	1	47	0.0	-70.89	360.51	8.57	-62.32
CC1=C(C)C2=C(C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N2)O1	REAL300005313280	0	48	0.0	-68.72	364.52	7.99	-60.73
CC1=C(C)C2=C(C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N2)O1	REAL300005313280	1	48	0.0	-70.35	361.54	7.81	-62.54
CC1=C(Cl)C=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005313281	0	48	0.0	-64.27	376.49	9.53	-54.74
CC1=C(Cl)C=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005313281	1	48	0.0	-65.38	377.05	9.44	-55.94
COC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N(C)C2=C1	REAL300005313282	0	52	0.0	-69.53	386.67	8.81	-60.72
COC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N(C)C2=C1	REAL300005313282	1	52	0.0	-70.16	384.51	8.70	-61.46
COCC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005313283	0	47	0.0	-82.19	370.29	4.23	-77.96
COCC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005313283	1	47	0.0	-73.32	367.89	4.08	-69.24
CC1=CC=C(C(C)CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313284	0	53	0.0	-64.71	391.95	11.01	-53.70
CC1=CC=C(C(C)CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313284	1	53	0.0	-65.81	394.10	10.94	-54.87
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300005313285	0	44	0.0	-61.32	349.45	7.10	-54.22
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300005313285	1	44	0.0	-66.23	354.16	7.05	-59.18
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(C)O1	REAL300005313286	0	47	0.0	-64.71	351.89	8.44	-56.27
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(C)O1	REAL300005313286	1	47	0.0	-68.39	353.03	8.39	-60.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CC4(F)F)N=C3)C[C@H]2C1	REAL300005313287	0	45	0.0	-57.52	353.87	7.39	-50.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CC4(F)F)N=C3)C[C@H]2C1	REAL300005313287	1	45	0.0	-69.10	352.51	7.26	-61.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)N3)C[C@H]2C1	REAL300005313288	0	39	0.0	-63.01	310.48	6.67	-56.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(Cl)N3)C[C@H]2C1	REAL300005313288	1	39	0.0	-65.61	308.62	6.51	-59.10
CC1=C(C)NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313289	0	45	0.0	-64.03	336.14	7.50	-56.53
CC1=C(C)NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313289	1	45	0.0	-69.27	336.57	7.38	-61.89
CC1=CC=C(C)C(C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)C)=C1	REAL300005313290	0	59	0.0	-77.25	425.57	11.65	-65.60
CC1=CC=C(C)C(C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)C)=C1	REAL300005313290	1	59	0.0	-72.73	424.69	11.54	-61.19
CN1N=NC2=CC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C21	REAL300005313291	0	46	0.0	-80.11	348.98	6.32	-73.79
CN1N=NC2=CC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C21	REAL300005313291	1	46	0.0	-63.44	349.78	6.25	-57.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCOC4)S3)C[C@H]2C1	REAL300005313292	0	48	0.0	-69.57	371.01	5.95	-63.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCOC4)S3)C[C@H]2C1	REAL300005313292	1	48	0.0	-67.28	372.80	5.96	-61.32
CN1C=CC([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313293	0	48	0.0	-82.61	369.62	8.15	-74.46
CN1C=CC([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313293	1	48	0.0	-74.33	370.32	8.12	-66.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCCC3=CC=C(Cl)S3)C[C@H]2C1	REAL300005313294	0	48	0.0	-76.28	401.19	10.01	-66.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCCC3=CC=C(Cl)S3)C[C@H]2C1	REAL300005313294	1	48	0.0	-67.07	400.97	9.94	-57.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)OC=N3)C[C@H]2C1	REAL300005313295	0	44	0.0	-72.90	336.11	6.10	-66.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)OC=N3)C[C@H]2C1	REAL300005313295	1	44	0.0	-67.39	339.08	5.92	-61.47
CCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005313296	0	47	0.0	-66.57	350.27	8.43	-58.14
CCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005313296	1	47	0.0	-70.95	351.79	8.46	-62.49
CN1C=CC(C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=NO2)=N1	REAL300005313297	0	47	0.0	-73.46	372.30	7.40	-66.06
CN1C=CC(C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=NO2)=N1	REAL300005313297	1	47	0.0	-71.45	372.80	7.40	-64.05
CCC(F)(F)C(C)(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313298	0	49	0.0	-82.71	349.58	8.10	-74.61
CCC(F)(F)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313298	1	49	0.0	-63.24	349.23	8.04	-55.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCCC3=CC=CS3)C[C@H]2C1	REAL300005313299	0	48	0.0	-76.81	384.14	9.40	-67.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCCC3=CC=CS3)C[C@H]2C1	REAL300005313299	1	48	0.0	-70.75	385.19	9.35	-61.40
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCOC1	REAL300005313300	0	52	0.0	-65.70	377.57	6.88	-58.82
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCOC1	REAL300005313300	1	52	0.0	-67.17	376.59	6.83	-60.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@H]4C[C@]3(C3=CC=CC=C3)CC4)C[C@H]2C1	REAL300005313301	0	55	0.0	-67.44	400.25	11.82	-55.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@H]4C[C@]3(C3=CC=CC=C3)CC4)C[C@H]2C1	REAL300005313301	1	55	0.0	-72.58	401.68	11.73	-60.85
CN1C=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005313302	0	48	0.0	-64.49	360.79	9.66	-54.83
CN1C=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005313302	1	48	0.0	-76.02	361.89	9.74	-66.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(F)C=C4OC=CC4=C3)C[C@H]2C1	REAL300005313303	0	44	0.0	-62.36	344.42	8.44	-53.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(F)C=C4OC=CC4=C3)C[C@H]2C1	REAL300005313303	1	44	0.0	-67.47	341.05	8.24	-59.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=C(F)C=C4)=CS3)C[C@H]2C1	REAL300005313304	0	48	0.0	-56.75	383.41	10.51	-46.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=C(F)C=C4)=CS3)C[C@H]2C1	REAL300005313304	1	48	0.0	-71.62	381.38	10.51	-61.11
CCC(C)(C)CCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313305	0	55	0.0	-72.59	389.24	9.83	-62.76
CCC(C)(C)CCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313305	1	55	0.0	-68.85	389.42	9.86	-58.99
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313306	0	51	0.0	-67.33	384.03	11.03	-56.30
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313306	1	51	0.0	-67.25	387.08	11.04	-56.21
CC1=C(C)C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C2N=N1	REAL300005313307	0	51	0.0	-70.47	377.94	8.60	-61.87
CC1=C(C)C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C2N=N1	REAL300005313307	1	51	0.0	-63.85	383.84	8.31	-55.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCNS3(=O)=O)C[C@H]2C1	REAL300005313308	0	46	0.0	-74.06	350.51	2.47	-71.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCNS3(=O)=O)C[C@H]2C1	REAL300005313308	1	46	0.0	-62.53	351.02	2.46	-60.07
CC1OC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C1C	REAL300005313309	0	52	0.0	-56.05	387.78	9.20	-46.85
CC1OC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C1C	REAL300005313309	1	52	0.0	-69.08	385.20	9.06	-60.02
COC1=CC=C2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CNC2=C1	REAL300005313310	0	52	0.0	-76.49	397.84	8.41	-68.08
COC1=CC=C2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CNC2=C1	REAL300005313310	1	52	0.0	-66.99	397.97	8.38	-58.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN(CC4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005313311	0	54	0.0	-79.97	421.07	10.72	-69.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN(CC4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005313311	1	54	0.0	-72.94	418.46	10.85	-62.09
CCCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005313312	0	50	0.0	-66.24	371.77	9.21	-57.03
CCCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)O1	REAL300005313312	1	50	0.0	-70.73	373.29	9.24	-61.49
CN1C=CC2=CC=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C21	REAL300005313313	0	47	0.0	-77.41	360.78	7.86	-69.55
CN1C=CC2=CC=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C21	REAL300005313313	1	47	0.0	-75.88	362.12	7.78	-68.10
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=NO1	REAL300005313314	0	56	0.0	-61.61	430.77	11.71	-49.90
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=NO1	REAL300005313314	1	56	0.0	-63.89	431.84	11.28	-52.61
CC1=CC=CC=C1C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300005313315	0	60	0.0	-74.36	431.59	12.48	-61.88
CC1=CC=CC=C1C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300005313315	1	60	0.0	-66.59	430.81	12.24	-54.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CCC4)OC=N3)C[C@H]2C1	REAL300005313316	0	47	0.0	-57.31	354.61	6.57	-50.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CCC4)OC=N3)C[C@H]2C1	REAL300005313316	1	47	0.0	-66.64	355.02	6.45	-60.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@H]4C[C@@H]3CO4)C[C@H]2C1	REAL300005313317	0	49	0.0	-49.69	346.12	7.03	-42.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@H]4C[C@@H]3CO4)C[C@H]2C1	REAL300005313317	1	49	0.0	-68.84	345.70	6.97	-61.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C(C)(C)C)=C3)C[C@H]2C1	REAL300005313318	0	52	0.0	-64.56	378.62	8.47	-56.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C(C)(C)C)=C3)C[C@H]2C1	REAL300005313318	1	52	0.0	-74.53	379.70	8.51	-66.02
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313319	0	48	0.0	-63.91	374.76	8.58	-55.33
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313319	1	48	0.0	-73.89	372.56	8.57	-65.32
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005313320	0	50	0.0	-67.51	392.34	10.50	-57.01
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005313320	1	50	0.0	-63.35	384.58	10.40	-52.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC34CCOCC4)C[C@H]2C1	REAL300005313321	0	55	0.0	-72.40	382.47	8.37	-64.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC34CCOCC4)C[C@H]2C1	REAL300005313321	1	55	0.0	-68.13	379.68	8.49	-59.64
COC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300005313322	0	47	0.0	-58.10	371.82	5.74	-52.36
COC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300005313322	1	47	0.0	-63.84	372.01	5.63	-58.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC=CC=C4N=C3)C[C@H]2C1	REAL300005313323	0	45	0.0	-61.46	343.48	6.44	-55.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=NC=CC=C4N=C3)C[C@H]2C1	REAL300005313323	1	45	0.0	-68.95	343.59	6.34	-62.61
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=CS1	REAL300005313324	0	40	0.0	-70.37	313.72	6.67	-63.70
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=CS1	REAL300005313324	1	40	0.0	-62.40	309.55	6.75	-55.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC(C)(C)C3)C[C@H]2C1	REAL300005313325	0	50	0.0	-76.82	351.39	8.58	-68.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CC(C)(C)C3)C[C@H]2C1	REAL300005313325	1	50	0.0	-70.61	352.53	8.61	-62.00
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N(C)N=C1	REAL300005313326	0	50	0.0	-63.41	379.66	7.94	-55.47
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N(C)N=C1	REAL300005313326	1	50	0.0	-68.45	378.90	8.08	-60.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CC(=O)C4)N=N3)C[C@H]2C1	REAL300005313327	0	49	0.0	-61.40	383.15	6.87	-54.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC4CC(=O)C4)N=N3)C[C@H]2C1	REAL300005313327	1	49	0.0	-72.55	380.04	6.67	-65.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=NC=CN34)C[C@H]2C1	REAL300005313328	0	41	0.0	-68.38	332.76	7.80	-60.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=NC=CN34)C[C@H]2C1	REAL300005313328	1	41	0.0	-64.70	331.10	7.67	-57.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4(C)CC4(F)F)C=C3)C[C@H]2C1	REAL300005313329	0	51	0.0	-71.06	387.15	10.60	-60.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4(C)CC4(F)F)C=C3)C[C@H]2C1	REAL300005313329	1	51	0.0	-60.30	385.48	10.46	-49.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=CC=CN=C4C=C3)C[C@H]2C1	REAL300005313330	0	49	0.0	-70.18	379.00	9.48	-60.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=CC=CN=C4C=C3)C[C@H]2C1	REAL300005313330	1	49	0.0	-72.15	375.35	9.56	-62.59
CSC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005313331	0	47	0.0	-64.00	349.38	8.21	-55.79
CSC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005313331	1	47	0.0	-66.62	352.76	8.06	-58.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCC4)NC3=O)C[C@H]2C1	REAL300005313332	0	50	0.0	-74.79	383.56	7.09	-67.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCC4)NC3=O)C[C@H]2C1	REAL300005313332	1	50	0.0	-69.89	381.80	6.99	-62.90
CN1N=C(C2CCC2)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313333	0	51	0.0	-74.97	374.76	8.33	-66.64
CN1N=C(C2CCC2)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313333	1	51	0.0	-65.57	374.94	8.24	-57.33
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=N1	REAL300005313334	0	46	0.0	-77.21	347.29	7.44	-69.77
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=N1	REAL300005313334	1	46	0.0	-73.50	345.16	7.39	-66.11
CC1CCCN2C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C12	REAL300005313335	0	54	0.0	-67.36	402.51	9.64	-57.72
CC1CCCN2C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C12	REAL300005313335	1	54	0.0	-69.35	401.68	9.58	-59.77
CC1=NC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CN2C(C)=C1	REAL300005313336	0	50	0.0	-77.18	377.70	9.91	-67.27
CC1=NC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CN2C(C)=C1	REAL300005313336	1	50	0.0	-72.25	378.24	9.80	-62.45
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005313337	0	47	0.0	-47.46	359.28	9.59	-37.87
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005313337	1	47	0.0	-66.04	357.86	9.40	-56.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=NC=NN43)C[C@H]2C1	REAL300005313338	0	47	0.0	-60.13	353.17	8.35	-51.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=NC=NN43)C[C@H]2C1	REAL300005313338	1	47	0.0	-76.82	352.42	8.28	-68.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(O)CCCOC3)C[C@H]2C1	REAL300005313339	0	49	0.0	-65.27	354.60	5.28	-59.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(O)CCCOC3)C[C@H]2C1	REAL300005313339	1	49	0.0	-67.35	350.42	5.33	-62.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OCC(F)(F)F)C[C@H]2C1	REAL300005313340	0	47	0.0	-53.18	353.38	7.51	-45.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OCC(F)(F)F)C[C@H]2C1	REAL300005313340	1	47	0.0	-65.06	350.63	7.63	-57.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCC[C@H]3C(F)(F)F)C[C@H]2C1	REAL300005313341	0	47	0.0	-67.25	353.35	8.74	-58.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCC[C@H]3C(F)(F)F)C[C@H]2C1	REAL300005313341	1	47	0.0	-70.41	354.52	8.63	-61.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(Cl)C=C4OC3)C[C@H]2C1	REAL300005313342	0	47	0.0	-58.46	370.73	8.98	-49.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(Cl)C=C4OC3)C[C@H]2C1	REAL300005313342	1	47	0.0	-60.54	367.77	8.92	-51.62
CCOC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005313343	0	50	0.0	-81.76	381.51	7.63	-74.13
CCOC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C1	REAL300005313343	1	50	0.0	-73.72	382.67	7.59	-66.13
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2N=C1	REAL300005313344	0	49	0.0	-73.57	375.37	9.02	-64.55
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2N=C1	REAL300005313344	1	49	0.0	-69.03	372.13	9.10	-59.93
COCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCO1	REAL300005313345	0	49	0.0	-51.80	355.70	6.00	-45.80
COCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCO1	REAL300005313345	1	49	0.0	-64.91	356.66	5.91	-59.00
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300005313346	0	49	0.0	-83.02	376.27	9.20	-73.82
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300005313346	1	49	0.0	-71.20	374.48	9.22	-61.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(CC3)C4(C)C)C[C@H]2C1	REAL300005313347	0	54	0.0	-61.60	365.41	9.31	-52.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(CC3)C4(C)C)C[C@H]2C1	REAL300005313347	1	54	0.0	-69.21	364.66	9.25	-59.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(C4CC4)C=C3)C[C@H]2C1	REAL300005313348	0	52	0.0	-73.18	387.07	8.89	-64.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(C4CC4)C=C3)C[C@H]2C1	REAL300005313348	1	52	0.0	-64.29	380.34	8.86	-55.43
CCC1=CNC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313349	0	45	0.0	-81.74	337.48	7.35	-74.39
CCC1=CNC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313349	1	45	0.0	-72.12	335.17	7.20	-64.92
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]4[C@H](C3)C4(F)F)C[C@H]2C1	REAL300005313394	0	45	0.0	-64.69	337.43	8.63	-56.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]4[C@H](C3)C4(F)F)C[C@H]2C1	REAL300005313394	1	45	0.0	-64.51	341.66	8.66	-55.85
CC(C)OC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005313395	0	51	0.0	-69.97	393.47	9.42	-60.55
CC(C)OC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005313395	1	51	0.0	-66.44	394.26	9.31	-57.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCC4)O3)C[C@H]2C1	REAL300005313396	0	48	0.0	-58.34	357.79	9.09	-49.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCC4)O3)C[C@H]2C1	REAL300005313396	1	48	0.0	-68.17	354.67	8.89	-59.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CNN=C4)C=C3)C[C@H]2C1	REAL300005313397	0	48	0.0	-59.28	367.15	7.96	-51.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CNN=C4)C=C3)C[C@H]2C1	REAL300005313397	1	48	0.0	-77.57	365.63	7.97	-69.60
CC1=CC(F)=CC=C1C(O)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313398	0	48	0.0	-59.98	361.66	6.99	-52.99
CC1=CC(F)=CC=C1C(O)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313398	1	48	0.0	-63.23	361.36	6.34	-56.89
COCC1=NOC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313399	0	44	0.0	-58.12	341.74	5.36	-52.76
COCC1=NOC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313399	1	44	0.0	-64.32	344.15	5.29	-59.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC34CCOCC4)C[C@H]2C1	REAL300005313400	0	50	0.0	-60.47	370.76	7.27	-53.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC34CCOCC4)C[C@H]2C1	REAL300005313400	1	50	0.0	-71.30	370.45	7.22	-64.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCO[C@H]3C3=CC=CN=C3)C[C@H]2C1	REAL300005313401	0	51	0.0	-75.70	382.38	7.30	-68.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCO[C@H]3C3=CC=CN=C3)C[C@H]2C1	REAL300005313401	1	51	0.0	-70.82	381.10	7.21	-63.61
COC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300005313402	0	50	0.0	-81.20	386.14	8.05	-73.15
COC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300005313402	1	50	0.0	-79.85	387.21	8.04	-71.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC34CCC4)C[C@H]2C1	REAL300005313403	0	46	0.0	-53.42	350.59	8.70	-44.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC34CCC4)C[C@H]2C1	REAL300005313403	1	46	0.0	-58.54	349.53	8.67	-49.87
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CC4(CCC4)C3)C[C@H]2C1	REAL300005313404	0	51	0.0	-67.41	376.71	9.46	-57.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CC4(CCC4)C3)C[C@H]2C1	REAL300005313404	1	51	0.0	-58.12	374.52	9.57	-48.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)(F)C3=CC=CN=C3)C[C@H]2C1	REAL300005313405	0	43	0.0	-53.87	339.62	7.24	-46.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)(F)C3=CC=CN=C3)C[C@H]2C1	REAL300005313405	1	43	0.0	-56.32	339.66	7.20	-49.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CCOC4)C[C@H]2C1	REAL300005313406	0	49	0.0	-63.18	358.93	7.55	-55.63
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CCOC4)C[C@H]2C1	REAL300005313406	1	49	0.0	-68.42	360.70	7.17	-61.25
COCC1(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005313407	0	55	0.0	-63.10	386.60	6.41	-56.69
COCC1(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005313407	1	55	0.0	-64.87	385.69	6.48	-58.39
CCC(O)(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005313408	0	51	0.0	-61.70	372.34	8.05	-53.65
CCC(O)(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005313408	1	51	0.0	-63.14	373.53	7.43	-55.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCCC4=N3)C[C@H]2C1	REAL300005313409	0	47	0.0	-58.10	352.13	8.92	-49.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCCC4=N3)C[C@H]2C1	REAL300005313409	1	47	0.0	-67.28	352.55	8.81	-58.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=N4)C=C3)C[C@H]2C1	REAL300005313410	0	51	0.0	-70.30	395.77	8.40	-61.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OC4=CC=CC=N4)C=C3)C[C@H]2C1	REAL300005313410	1	51	0.0	-60.11	395.01	8.34	-51.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C3CCCC4)C[C@H]2C1	REAL300005313411	0	48	0.0	-57.49	354.38	8.76	-48.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C3CCCC4)C[C@H]2C1	REAL300005313411	1	48	0.0	-61.57	353.21	8.68	-52.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(C)(C)C)=NO3)C[C@H]2C1	REAL300005313412	0	49	0.0	-53.68	371.44	8.18	-45.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(C)(C)C)=NO3)C[C@H]2C1	REAL300005313412	1	49	0.0	-63.40	371.76	8.07	-55.33
CCC1(CC)CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005313413	0	53	0.0	-61.65	375.75	9.76	-51.89
CCC1(CC)CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005313413	1	53	0.0	-68.32	379.89	9.63	-58.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C3Cl)OCO4)C[C@H]2C1	REAL300005313414	0	44	0.0	-62.56	351.64	7.23	-55.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C3Cl)OCO4)C[C@H]2C1	REAL300005313414	1	44	0.0	-62.89	352.05	7.10	-55.79
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C2CCCCN21	REAL300005313415	0	57	0.0	-61.45	405.29	10.42	-51.03
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C2CCCCN21	REAL300005313415	1	57	0.0	-69.75	407.54	10.29	-59.46
CC1=NC2=NC=NN2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313416	0	45	0.0	-67.64	346.55	10.17	-57.47
CC1=NC2=NC=NN2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313416	1	45	0.0	-88.96	355.50	9.78	-79.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@H]2C1	REAL300005313417	0	51	0.0	-76.09	361.19	9.49	-66.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@H]2C1	REAL300005313417	1	51	0.0	-64.76	365.22	9.51	-55.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC=N3)C[C@H]2C1	REAL300005313418	0	47	0.0	-70.59	357.91	8.58	-62.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC=N3)C[C@H]2C1	REAL300005313418	1	47	0.0	-77.57	358.40	8.46	-69.11
CC1=CC(C2CCC2)=NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313419	0	53	0.0	-74.03	387.47	9.29	-64.74
CC1=CC(C2CCC2)=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313419	1	53	0.0	-66.07	390.68	9.25	-56.82
CC(=O)N1CSC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313420	0	46	0.0	-71.83	349.08	7.81	-64.02
CC(=O)N1CSC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313420	1	46	0.0	-78.55	350.77	7.31	-71.24
COC1=CC=CC2=C1CC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)CO2	REAL300005313421	0	53	0.0	-49.25	396.35	8.15	-41.10
COC1=CC=CC2=C1CC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)CO2	REAL300005313421	1	53	0.0	-70.85	391.82	7.96	-62.89
CC(C)[C@@H]1C[C@H](CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005313422	0	60	0.0	-64.54	433.20	12.50	-52.04
CC(C)[C@@H]1C[C@H](CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005313422	1	60	0.0	-67.31	430.38	12.34	-54.97
CC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC=C1F	REAL300005313423	0	48	0.0	-61.34	366.65	9.46	-51.88
CC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC=C1F	REAL300005313423	1	48	0.0	-72.17	367.12	9.13	-63.04
COC1=CC=NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313424	0	44	0.0	-65.11	335.03	6.21	-58.90
COC1=CC=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313424	1	44	0.0	-69.41	331.75	5.89	-63.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCNC(=O)C4=C3)C[C@H]2C1	REAL300005313425	0	46	0.0	-68.77	354.75	3.93	-64.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCNC(=O)C4=C3)C[C@H]2C1	REAL300005313425	1	46	0.0	-75.38	355.03	3.79	-71.59
CC1=CC2=NC=CN=C2C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313426	0	48	0.0	-74.68	364.99	7.07	-67.61
CC1=CC2=NC=CN=C2C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313426	1	48	0.0	-68.10	365.55	7.00	-61.10
CC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC=C1Cl	REAL300005313427	0	48	0.0	-60.34	375.35	9.86	-50.48
CC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC=C1Cl	REAL300005313427	1	48	0.0	-71.45	375.82	9.53	-61.92
CC1=CC=C(N2N=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=O)C=C1	REAL300005313428	0	55	0.0	-62.83	418.48	9.86	-52.97
CC1=CC=C(N2N=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=O)C=C1	REAL300005313428	1	55	0.0	-69.06	421.63	9.82	-59.24
CC1=C(C)OC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313429	0	49	0.0	-74.72	375.33	5.95	-68.77
CC1=C(C)OC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313429	1	49	0.0	-71.98	375.52	6.00	-65.98
COCCOCCN1C=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313430	0	55	0.0	-62.83	426.09	6.47	-56.36
COCCOCCN1C=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313430	1	55	0.0	-71.11	426.53	6.37	-64.74
COCCOCCN1N=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313431	0	55	0.0	-77.54	418.55	5.92	-71.62
COCCOCCN1N=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313431	1	55	0.0	-75.11	417.48	5.91	-69.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CCC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005313432	0	57	0.0	-70.22	433.62	13.23	-56.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CCC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005313432	1	57	0.0	-70.50	428.13	12.97	-57.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCC4=NNC3=O)C[C@H]2C1	REAL300005313433	0	47	0.0	-62.75	360.62	5.65	-57.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCC4=NNC3=O)C[C@H]2C1	REAL300005313433	1	47	0.0	-65.25	356.92	5.41	-59.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CSC=C4)N=C3)C[C@H]2C1	REAL300005313434	0	47	0.0	-53.99	372.63	8.68	-45.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CSC=C4)N=C3)C[C@H]2C1	REAL300005313434	1	47	0.0	-70.09	370.07	8.62	-61.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H]3CCC[C@H](C4CC4)O3)C[C@H]2C1	REAL300005313435	0	55	0.0	-67.94	402.35	10.52	-57.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H]3CCC[C@H](C4CC4)O3)C[C@H]2C1	REAL300005313435	1	55	0.0	-65.27	402.53	10.43	-54.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CC3CCCCC3)C3=CC=CC=C3)C[C@H]2C1	REAL300005313436	0	63	0.0	-67.54	447.55	13.11	-54.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CC3CCCCC3)C3=CC=CC=C3)C[C@H]2C1	REAL300005313436	1	63	0.0	-69.20	450.98	13.02	-56.18
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C1=CC=CC=C1Cl	REAL300005313437	0	53	0.0	-72.95	404.77	11.04	-61.91
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C1=CC=CC=C1Cl	REAL300005313437	1	53	0.0	-68.28	400.91	10.85	-57.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4CCC4)C=C3)C[C@H]2C1	REAL300005313438	0	54	0.0	-68.61	400.45	11.51	-57.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4CCC4)C=C3)C[C@H]2C1	REAL300005313438	1	54	0.0	-58.42	399.66	11.45	-46.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC4=CC=CN=C4C=C3)C[C@H]2C1	REAL300005313439	0	50	0.0	-68.20	385.82	9.95	-58.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC4=CC=CN=C4C=C3)C[C@H]2C1	REAL300005313439	1	50	0.0	-67.68	387.97	9.87	-57.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C)(C)OC(C)(C)C3)C[C@H]2C1	REAL300005313440	0	57	0.0	-61.80	401.74	8.64	-53.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C)(C)OC(C)(C)C3)C[C@H]2C1	REAL300005313440	1	57	0.0	-59.52	405.29	8.75	-50.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34OC5C6COCC5C3C64)C[C@H]2C1	REAL300005313441	0	49	0.0	-53.04	358.85	6.37	-46.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34OC5C6COCC5C3C64)C[C@H]2C1	REAL300005313441	1	49	0.0	-68.33	357.38	5.94	-62.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCO4)CCOCC3)C[C@H]2C1	REAL300005313442	0	56	0.0	-56.61	379.70	6.86	-49.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCO4)CCOCC3)C[C@H]2C1	REAL300005313442	1	56	0.0	-70.27	383.96	6.22	-64.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005313443	0	58	0.0	-66.19	402.78	12.04	-54.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005313443	1	58	0.0	-68.53	405.23	11.71	-56.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(O)=CC(Br)=C3)C[C@H]2C1	REAL300005313444	0	45	0.0	-65.79	370.78	6.85	-58.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(O)=CC(Br)=C3)C[C@H]2C1	REAL300005313444	1	45	0.0	-65.58	368.98	6.81	-58.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCC3=CC=CC(O)=C3)C[C@H]2C1	REAL300005313445	0	54	0.0	-64.18	412.45	8.98	-55.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCC3=CC=CC(O)=C3)C[C@H]2C1	REAL300005313445	1	54	0.0	-70.55	412.40	8.63	-61.92
CC1=NC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005313446	0	43	0.0	-65.12	345.17	7.06	-58.06
CC1=NC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)S1	REAL300005313446	1	43	0.0	-64.81	343.34	7.01	-57.80
CCC1=NC=C(Cl)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313447	0	45	0.0	-69.25	356.65	7.99	-61.26
CCC1=NC=C(Cl)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313447	1	45	0.0	-66.31	357.11	7.98	-58.33
CC1=CC2=C(C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N2)S1	REAL300005313448	0	45	0.0	-60.23	352.61	8.67	-51.56
CC1=CC2=C(C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N2)S1	REAL300005313448	1	45	0.0	-72.67	353.08	8.31	-64.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C)(C3)OC4(C)C)C[C@H]2C1	REAL300005313449	0	52	0.0	-49.98	364.57	7.22	-42.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C)(C3)OC4(C)C)C[C@H]2C1	REAL300005313449	1	52	0.0	-61.14	361.28	7.34	-53.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)N3C=NN=N3)C[C@H]2C1	REAL300005313450	0	45	0.0	-74.65	333.72	6.30	-68.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)N3C=NN=N3)C[C@H]2C1	REAL300005313450	1	45	0.0	-68.63	328.61	6.13	-62.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CN=CN=C3)C[C@H]2C1	REAL300005313451	0	48	0.0	-73.63	348.06	7.68	-65.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CN=CN=C3)C[C@H]2C1	REAL300005313451	1	48	0.0	-71.48	346.15	7.63	-63.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCO4)CCCC3)C[C@H]2C1	REAL300005313452	0	55	0.0	-57.16	368.73	8.77	-48.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCO4)CCCC3)C[C@H]2C1	REAL300005313452	1	55	0.0	-61.59	379.59	8.17	-53.42
COCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC=CC1	REAL300005313453	0	49	0.0	-66.68	353.91	7.33	-59.35
COCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC=CC1	REAL300005313453	1	49	0.0	-67.78	354.74	6.97	-60.81
CCCC(CC)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313454	0	52	0.0	-61.28	374.66	9.50	-51.78
CCCC(CC)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313454	1	52	0.0	-64.68	374.07	9.45	-55.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C3CSC4)C[C@H]2C1	REAL300005313455	0	43	0.0	-64.02	337.86	7.72	-56.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C3CSC4)C[C@H]2C1	REAL300005313455	1	43	0.0	-61.62	337.56	7.62	-54.00
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313456	0	62	0.0	-63.27	444.07	12.37	-50.90
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313456	1	62	0.0	-63.81	446.23	12.32	-51.49
CC1=CC=C2OC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005313457	0	47	0.0	-82.69	360.85	9.18	-73.51
CC1=CC=C2OC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=C1	REAL300005313457	1	47	0.0	-77.56	357.09	9.08	-68.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SCCCC4=C3)C[C@H]2C1	REAL300005313458	0	49	0.0	-75.33	372.57	10.18	-65.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SCCCC4=C3)C[C@H]2C1	REAL300005313458	1	49	0.0	-72.85	370.98	10.21	-62.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SCCCCC4=C3)C[C@H]2C1	REAL300005313459	0	52	0.0	-75.52	389.59	10.77	-64.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SCCCCC4=C3)C[C@H]2C1	REAL300005313459	1	52	0.0	-62.55	391.45	10.76	-51.79
CC(C)=CCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005313460	0	54	0.0	-63.51	407.15	11.34	-52.17
CC(C)=CCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1F	REAL300005313460	1	54	0.0	-72.35	407.67	11.40	-60.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C(Cl)S4)N3)C[C@H]2C1	REAL300005313461	0	42	0.0	-63.80	348.51	8.11	-55.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C(Cl)S4)N3)C[C@H]2C1	REAL300005313461	1	42	0.0	-65.57	348.86	8.02	-57.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4=CC=CN=C4)=N3)C[C@H]2C1	REAL300005313462	0	48	0.0	-68.38	371.76	8.20	-60.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC(C4=CC=CN=C4)=N3)C[C@H]2C1	REAL300005313462	1	48	0.0	-65.31	374.27	8.11	-57.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=CC=CC=C4N=C3)C[C@H]2C1	REAL300005313463	0	49	0.0	-68.42	379.64	9.44	-58.98
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC4=CC=CC=C4N=C3)C[C@H]2C1	REAL300005313463	1	49	0.0	-74.44	379.30	9.38	-65.06
CC1=CC=C2C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1	REAL300005313464	0	47	0.0	-81.77	360.84	9.18	-72.59
CC1=CC=C2C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=COC2=C1	REAL300005313464	1	47	0.0	-76.77	357.07	9.09	-67.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NC(C(C)(C)C)=N3)C[C@H]2C1	REAL300005313465	0	51	0.0	-73.63	389.84	6.70	-66.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NC(C(C)(C)C)=N3)C[C@H]2C1	REAL300005313465	1	51	0.0	-70.99	391.86	6.62	-64.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CS4)N3CC3CC3)C[C@H]2C1	REAL300005313466	0	52	0.0	-72.19	400.56	11.10	-61.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=CS4)N3CC3CC3)C[C@H]2C1	REAL300005313466	1	52	0.0	-68.62	401.13	11.10	-57.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC(Cl)=C4)C=C3)C[C@H]2C1	REAL300005313467	0	51	0.0	-56.08	400.90	11.91	-44.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC(Cl)=C4)C=C3)C[C@H]2C1	REAL300005313467	1	51	0.0	-74.10	399.44	11.91	-62.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4CC4(F)F)C=C3)C[C@H]2C1	REAL300005313468	0	45	0.0	-63.97	358.50	8.08	-55.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN(C4CC4(F)F)C=C3)C[C@H]2C1	REAL300005313468	1	45	0.0	-76.03	355.37	7.85	-68.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC3(C3=CC=C(F)C=C3)CC4)C[C@H]2C1	REAL300005313469	0	55	0.0	-68.13	407.92	11.91	-56.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC3(C3=CC=C(F)C=C3)CC4)C[C@H]2C1	REAL300005313469	1	55	0.0	-68.36	404.93	11.74	-56.62
CCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Br	REAL300005313470	0	47	0.0	-78.99	370.00	9.89	-69.10
CCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Br	REAL300005313470	1	47	0.0	-68.68	367.20	9.86	-58.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005313471	0	51	0.0	-64.69	397.06	8.76	-55.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(=O)NC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005313471	1	51	0.0	-67.99	396.21	8.75	-59.24
COCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC=C1	REAL300005313472	0	45	0.0	-59.35	346.51	6.23	-53.12
COCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC=C1	REAL300005313472	1	45	0.0	-67.85	343.40	6.04	-61.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=CC(F)=CC(F)=C34)C[C@H]2C1	REAL300005313473	0	44	0.0	-67.77	345.91	8.54	-59.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=CC(F)=CC(F)=C34)C[C@H]2C1	REAL300005313473	1	44	0.0	-78.28	345.50	8.54	-69.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CCCF)N=N3)C[C@H]2C1	REAL300005313474	0	46	0.0	-57.53	360.59	6.62	-50.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CCCF)N=N3)C[C@H]2C1	REAL300005313474	1	46	0.0	-68.18	361.02	6.51	-61.67
CN1N=CC2=C1SC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)=C2	REAL300005313475	0	44	0.0	-66.12	348.81	7.03	-59.09
CN1N=CC2=C1SC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)=C2	REAL300005313475	1	44	0.0	-68.55	349.09	7.09	-61.46
COC1=CC=CC=C1N1C=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313476	0	52	0.0	-72.47	401.17	10.64	-61.83
COC1=CC=CC=C1N1C=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313476	1	52	0.0	-69.09	402.99	10.45	-58.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCOCC4)N=C3)C[C@H]2C1	REAL300005313477	0	53	0.0	-59.28	392.25	6.92	-52.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCOCC4)N=C3)C[C@H]2C1	REAL300005313477	1	53	0.0	-67.30	389.29	6.40	-60.90
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(Br)=C1C	REAL300005313478	0	47	0.0	-58.47	363.46	9.64	-48.83
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(Br)=C1C	REAL300005313478	1	47	0.0	-75.89	364.67	9.70	-66.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4C=CCC(C4)C3)C[C@H]2C1	REAL300005313479	0	52	0.0	-74.39	361.73	9.65	-64.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4C=CCC(C4)C3)C[C@H]2C1	REAL300005313479	1	52	0.0	-67.92	331.73	9.64	-58.28
COC1=CN=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313480	0	44	0.0	-59.33	330.92	5.78	-53.55
COC1=CN=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313480	1	44	0.0	-66.92	331.84	5.32	-61.60
CC1CCN(C2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)CC1	REAL300005313481	0	59	0.0	-76.46	423.51	9.85	-66.61
CC1CCN(C2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)CC1	REAL300005313481	1	59	0.0	-59.35	420.98	9.70	-49.65
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313482	0	52	0.0	-67.66	386.76	7.22	-60.44
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313482	1	52	0.0	-69.20	387.27	7.15	-62.05
C[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1(F)F	REAL300005313485	0	41	0.0	-75.76	319.43	7.62	-68.14
C[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1(F)F	REAL300005313485	1	41	0.0	-68.27	316.63	7.71	-60.56
COC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005313486	0	51	0.0	-64.33	386.92	8.90	-55.43
COC1=CC=C(C(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1F	REAL300005313486	1	51	0.0	-60.74	385.28	9.03	-51.71
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CC(F)(F)C1	REAL300005313487	0	48	0.0	-74.91	364.81	8.34	-66.57
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CC(F)(F)C1	REAL300005313487	1	48	0.0	-65.04	361.75	8.50	-56.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCCOC3)C[C@H]2C1	REAL300005313488	0	49	0.0	-64.34	365.65	6.73	-57.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3CCCOC3)C[C@H]2C1	REAL300005313488	1	49	0.0	-64.31	364.16	6.70	-57.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3=NC(C4CC4)=NO3)C[C@H]2C1	REAL300005313489	0	50	0.0	-85.29	395.39	6.63	-78.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COCC3=NC(C4CC4)=NO3)C[C@H]2C1	REAL300005313489	1	50	0.0	-75.18	395.22	6.56	-68.62
CN1CCC2=CC(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005313490	0	53	0.0	-65.74	399.23	8.93	-56.81
CN1CCC2=CC(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005313490	1	53	0.0	-70.22	398.95	8.86	-61.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C)(C(C)(C)C)C3)C[C@H]2C1	REAL300005313491	0	56	0.0	-73.33	390.64	9.81	-63.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C)(C(C)(C)C)C3)C[C@H]2C1	REAL300005313491	1	56	0.0	-68.29	392.55	9.81	-58.48
CC1=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005313492	0	50	0.0	-61.33	380.73	8.41	-52.92
CC1=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005313492	1	50	0.0	-70.59	380.69	8.08	-62.51
CCS(=O)(=O)NC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313493	0	52	0.0	-81.23	407.70	5.49	-75.74
CCS(=O)(=O)NC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313493	1	52	0.0	-78.80	402.05	5.18	-73.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005313494	0	48	0.0	-75.07	376.95	7.81	-67.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(C(F)(F)F)C=C3)C[C@H]2C1	REAL300005313494	1	48	0.0	-65.43	375.90	7.65	-57.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005313495	0	48	0.0	-51.72	376.05	7.54	-44.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=CC=C3C(F)(F)F)C[C@H]2C1	REAL300005313495	1	48	0.0	-67.63	375.15	6.48	-61.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005313496	0	45	0.0	-60.84	371.91	7.78	-53.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005313496	1	45	0.0	-69.29	367.52	7.60	-61.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C(F)F)C[C@H]2C1	REAL300005313497	0	44	0.0	-73.09	337.58	8.85	-64.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C(F)F)C[C@H]2C1	REAL300005313497	1	44	0.0	-74.91	339.26	8.70	-66.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CN=C4)=NO3)C[C@H]2C1	REAL300005313498	0	46	0.0	-69.07	362.39	7.48	-61.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CN=C4)=NO3)C[C@H]2C1	REAL300005313498	1	46	0.0	-65.12	364.14	7.40	-57.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3CCCCCC3)C[C@H]2C1	REAL300005313499	0	54	0.0	-57.07	373.51	7.74	-49.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3CCCCCC3)C[C@H]2C1	REAL300005313499	1	54	0.0	-59.12	374.35	7.45	-51.67
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1CC	REAL300005313500	0	50	0.0	-66.10	366.89	7.69	-58.41
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1CC	REAL300005313500	1	50	0.0	-61.23	367.32	7.61	-53.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC(F)=CC(F)=C3)C[C@H]2C1	REAL300005313501	0	45	0.0	-73.73	351.74	6.97	-66.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC(F)=CC(F)=C3)C[C@H]2C1	REAL300005313501	1	45	0.0	-63.69	350.06	6.79	-56.90
CCC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300005313502	0	50	0.0	-60.87	362.94	9.45	-51.42
CCC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300005313502	1	50	0.0	-64.39	360.61	9.66	-54.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=CC=C3)C(F)F)C[C@H]2C1	REAL300005313503	0	50	0.0	-59.91	382.30	10.45	-49.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=CC=C3)C(F)F)C[C@H]2C1	REAL300005313503	1	50	0.0	-66.93	379.64	10.30	-56.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCOCC4=C3)C[C@H]2C1	REAL300005313504	0	49	0.0	-78.49	363.71	8.08	-70.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCOCC4=C3)C[C@H]2C1	REAL300005313504	1	49	0.0	-68.58	361.32	7.91	-60.67
CCOCC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005313505	0	47	0.0	-72.41	373.14	6.55	-65.86
CCOCC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005313505	1	47	0.0	-69.07	374.77	6.39	-62.68
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C1CCOC1	REAL300005313506	0	51	0.0	-68.77	382.90	5.74	-63.03
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1C1CCOC1	REAL300005313506	1	51	0.0	-63.11	378.56	5.76	-57.35
CC1=NN=C(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N1C	REAL300005313507	0	49	0.0	-73.93	373.58	8.70	-65.23
CC1=NN=C(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N1C	REAL300005313507	1	49	0.0	-70.38	373.76	8.75	-61.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=NN=NN4C3)C[C@H]2C1	REAL300005313508	0	46	0.0	-64.33	348.46	6.00	-58.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=NN=NN4C3)C[C@H]2C1	REAL300005313508	1	46	0.0	-68.93	341.52	5.85	-63.08
CC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC(Cl)=C1	REAL300005313509	0	48	0.0	-64.13	378.86	9.58	-54.55
CC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=CC(Cl)=C1	REAL300005313509	1	48	0.0	-69.41	378.60	9.61	-59.80
CC1=C(C)NC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313510	0	50	0.0	-70.96	379.25	7.67	-63.29
CC1=C(C)NC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313510	1	50	0.0	-66.32	381.50	7.66	-58.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC(Cl)=CC=C4F)CCC3)C[C@H]2C1	REAL300005313511	0	51	0.0	-64.92	394.40	10.80	-54.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC(Cl)=CC=C4F)CCC3)C[C@H]2C1	REAL300005313511	1	51	0.0	-63.06	386.10	10.78	-52.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC(F)=CC=C4F)CCC3)C[C@H]2C1	REAL300005313512	0	51	0.0	-65.28	384.08	10.36	-54.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC(F)=CC=C4F)CCC3)C[C@H]2C1	REAL300005313512	1	51	0.0	-63.28	375.79	10.34	-52.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NN=C3C3CC3)C[C@H]2C1	REAL300005313513	0	46	0.0	-76.95	357.54	6.96	-69.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NN=C3C3CC3)C[C@H]2C1	REAL300005313513	1	46	0.0	-83.78	358.30	6.86	-76.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(N4C=NN=N4)CCSCC3)C[C@H]2C1	REAL300005313514	0	53	0.0	-84.54	392.01	8.96	-75.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(N4C=NN=N4)CCSCC3)C[C@H]2C1	REAL300005313514	1	53	0.0	-77.69	390.74	8.91	-68.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(N)=O)C(Cl)=C3)C[C@H]2C1	REAL300005313515	0	45	0.0	-61.58	354.13	5.20	-56.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(N)=O)C(Cl)=C3)C[C@H]2C1	REAL300005313515	1	45	0.0	-70.65	355.25	5.28	-65.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC4=CC=CC=C4N=C3)C[C@H]2C1	REAL300005313516	0	49	0.0	-59.19	385.99	8.27	-50.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=NC4=CC=CC=C4N=C3)C[C@H]2C1	REAL300005313516	1	49	0.0	-69.93	382.49	8.08	-61.85
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313517	0	54	0.0	-74.45	416.97	8.55	-65.90
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313517	1	54	0.0	-71.05	419.12	8.48	-62.57
CN1N=CC=C1C1=NNC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313518	0	48	0.0	-84.07	365.38	5.49	-78.58
CN1N=CC=C1C1=NNC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313518	1	48	0.0	-74.66	370.44	5.56	-69.10
CC1=CC=C(C(=O)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313519	0	46	0.0	-67.50	349.62	8.83	-58.67
CC1=CC=C(C(=O)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313519	1	46	0.0	-63.46	352.36	8.80	-54.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(=O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005313520	0	43	0.0	-63.91	346.22	8.71	-55.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(=O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005313520	1	43	0.0	-60.89	347.67	8.63	-52.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=NC=N3)C[C@H]2C1	REAL300005313521	0	43	0.0	-62.56	337.04	7.85	-54.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=NC=N3)C[C@H]2C1	REAL300005313521	1	43	0.0	-64.29	339.20	7.79	-56.50
CC(C)C1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005313522	0	46	0.0	-69.21	351.84	5.84	-63.37
CC(C)C1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CO1	REAL300005313522	1	46	0.0	-67.09	352.35	5.79	-61.30
CCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOCC1	REAL300005313523	0	54	0.0	-63.58	386.44	8.23	-55.35
CCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOCC1	REAL300005313523	1	54	0.0	-68.07	376.73	7.62	-60.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC(OC(C)(C)C)C34CCC4)C[C@H]2C1	REAL300005313524	0	64	0.0	-75.19	458.84	11.04	-64.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC(OC(C)(C)C)C34CCC4)C[C@H]2C1	REAL300005313524	1	64	0.0	-67.12	461.45	11.01	-56.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C(F)C=C(F)C=C34)C[C@H]2C1	REAL300005313525	0	44	0.0	-65.78	347.97	8.88	-56.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C(F)C=C(F)C=C34)C[C@H]2C1	REAL300005313525	1	44	0.0	-74.32	348.51	8.54	-65.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(CC(F)(F)F)=N3)C[C@H]2C1	REAL300005313526	0	43	0.0	-61.18	359.32	7.66	-53.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC(CC(F)(F)F)=N3)C[C@H]2C1	REAL300005313526	1	43	0.0	-69.92	359.74	7.52	-62.40
CCC1=CC=CC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C21	REAL300005313527	0	52	0.0	-61.41	389.51	10.65	-50.76
CCC1=CC=CC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=C21	REAL300005313527	1	52	0.0	-69.53	390.91	10.70	-58.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4(C(F)(F)F)CC4)C=C3)C[C@H]2C1	REAL300005313528	0	51	0.0	-78.97	400.53	11.01	-67.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4(C(F)(F)F)CC4)C=C3)C[C@H]2C1	REAL300005313528	1	51	0.0	-65.42	400.82	10.92	-54.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCS(=O)(=O)CC3)C[C@H]2C1	REAL300005313529	0	50	0.0	-70.77	359.21	4.67	-66.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCS(=O)(=O)CC3)C[C@H]2C1	REAL300005313529	1	50	0.0	-72.07	353.41	4.32	-67.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C(C)(F)F)C[C@H]2C1	REAL300005313530	0	47	0.0	-65.89	356.45	9.43	-56.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C(C)(F)F)C[C@H]2C1	REAL300005313530	1	47	0.0	-68.48	357.66	9.35	-59.13
C=CCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC=CC1	REAL300005313531	0	49	0.0	-75.51	355.56	9.13	-66.38
C=CCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC=CC1	REAL300005313531	1	49	0.0	-71.00	354.06	9.06	-61.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CON=C3C3CCC3)C[C@H]2C1	REAL300005313532	0	47	0.0	-64.13	351.48	8.55	-55.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CON=C3C3CCC3)C[C@H]2C1	REAL300005313532	1	47	0.0	-68.39	352.48	8.11	-60.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)CC3CCCC3)C[C@H]2C1	REAL300005313533	0	50	0.0	-75.58	366.65	9.43	-66.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)CC3CCCC3)C[C@H]2C1	REAL300005313533	1	50	0.0	-63.34	367.28	9.31	-54.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C)(C)C3C(F)(F)F)C[C@H]2C1	REAL300005313534	0	50	0.0	-69.27	375.46	9.25	-60.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C)(C)C3C(F)(F)F)C[C@H]2C1	REAL300005313534	1	50	0.0	-58.32	345.99	8.90	-49.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=C(F)C=C4)CCCC3)C[C@H]2C1	REAL300005313535	0	57	0.0	-66.77	409.72	11.71	-55.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=C(F)C=C4)CCCC3)C[C@H]2C1	REAL300005313535	1	57	0.0	-71.63	407.18	11.39	-60.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCCC3CC(=O)CC4)C[C@H]2C1	REAL300005313536	0	53	0.0	-66.07	365.29	8.82	-57.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCCC3CC(=O)CC4)C[C@H]2C1	REAL300005313536	1	53	0.0	-65.74	364.27	8.73	-57.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCO4)CC3)C[C@H]2C1	REAL300005313537	0	49	0.0	-58.19	357.51	7.89	-50.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCO4)CC3)C[C@H]2C1	REAL300005313537	1	49	0.0	-64.84	354.92	7.91	-56.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CCCO4)C[C@H]2C1	REAL300005313538	0	49	0.0	-59.81	354.72	7.30	-52.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C3)CCCO4)C[C@H]2C1	REAL300005313538	1	49	0.0	-64.99	354.16	7.22	-57.77
C[C@@H](CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005313539	0	53	0.0	-61.19	412.08	11.34	-49.85
C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005313539	1	53	0.0	-64.00	411.38	11.27	-52.73
C[C@@H](CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005313540	0	53	0.0	-67.18	396.65	9.00	-58.18
C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005313540	1	53	0.0	-65.84	398.67	8.92	-56.92
COCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CCC1	REAL300005313541	0	49	0.0	-68.45	354.57	7.03	-61.42
COCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CCC1	REAL300005313541	1	49	0.0	-70.53	357.15	7.48	-63.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CCCCO3)C[C@H]2C1	REAL300005313542	0	48	0.0	-46.10	348.34	7.51	-38.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CCCCO3)C[C@H]2C1	REAL300005313542	1	48	0.0	-47.64	348.78	7.35	-40.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCO[C@H]3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005313543	0	52	0.0	-65.69	392.51	9.47	-56.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCO[C@H]3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005313543	1	52	0.0	-68.65	393.25	9.10	-59.55
CC1=NN(C(C)C)C(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313544	0	53	0.0	-58.25	402.31	9.03	-49.22
CC1=NN(C(C)C)C(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313544	1	53	0.0	-74.34	399.83	8.50	-65.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CON=C3C3CCCO3)C[C@H]2C1	REAL300005313545	0	48	0.0	-64.28	361.62	6.39	-57.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CON=C3C3CCCO3)C[C@H]2C1	REAL300005313545	1	48	0.0	-69.33	361.55	6.21	-63.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC4(CCC4)O3)C[C@H]2C1	REAL300005313546	0	55	0.0	-68.00	396.55	9.87	-58.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC4(CCC4)O3)C[C@H]2C1	REAL300005313546	1	55	0.0	-65.64	397.45	9.85	-55.79
COC1C[C@@H]2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C[C@H]12	REAL300005313547	0	52	0.0	-72.08	377.73	7.96	-64.12
COC1C[C@@H]2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C[C@H]12	REAL300005313547	1	52	0.0	-67.45	376.00	7.81	-59.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3COCCN3CC(F)(F)F)C[C@H]2C1	REAL300005313548	0	53	0.0	-67.20	392.84	5.47	-61.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3COCCN3CC(F)(F)F)C[C@H]2C1	REAL300005313548	1	53	0.0	-65.44	395.49	5.40	-60.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CCC4=CC=CC=C43)C[C@H]2C1	REAL300005313549	0	48	0.0	-73.29	359.49	10.03	-63.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CCC4=CC=CC=C43)C[C@H]2C1	REAL300005313549	1	48	0.0	-62.08	358.20	9.98	-52.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC34CCC(CC3)C4(C)C)C[C@H]2C1	REAL300005313550	0	57	0.0	-63.69	390.48	10.37	-53.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC34CCC(CC3)C4(C)C)C[C@H]2C1	REAL300005313550	1	57	0.0	-67.17	387.10	10.17	-57.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(C4CCOC4)C=N3)C[C@H]2C1	REAL300005313551	0	52	0.0	-85.75	394.99	7.11	-78.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=C(C4CCOC4)C=N3)C[C@H]2C1	REAL300005313551	1	52	0.0	-76.65	394.87	7.05	-69.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CN=C4NC=C3)C[C@H]2C1	REAL300005313552	0	44	0.0	-73.95	343.54	7.68	-66.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CN=C4NC=C3)C[C@H]2C1	REAL300005313552	1	44	0.0	-85.59	343.95	7.56	-78.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CNC4=NC=C3)C[C@H]2C1	REAL300005313552	1	44	0.0	-61.15	336.81	7.67	-53.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CNC4=NC=C3)C[C@H]2C1	REAL300005313552	1	44	0.0	-69.61	338.76	7.28	-62.33
CC1=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C2O1	REAL300005313553	0	47	0.0	-61.44	359.79	9.53	-51.91
CC1=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C2O1	REAL300005313553	1	47	0.0	-69.26	361.81	9.15	-60.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CCC4)CC3)C[C@H]2C1	REAL300005313554	0	54	0.0	-73.57	378.05	9.99	-63.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CCC4)CC3)C[C@H]2C1	REAL300005313554	1	54	0.0	-68.72	383.57	10.10	-58.62
CCC1=CC2=C(OCC2)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313555	0	52	0.0	-58.90	387.34	9.47	-49.43
CCC1=CC2=C(OCC2)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313555	1	52	0.0	-80.84	388.90	9.44	-71.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CSC4=CC=C3)C[C@H]2C1	REAL300005313556	0	44	0.0	-60.83	346.38	9.38	-51.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CSC4=CC=C3)C[C@H]2C1	REAL300005313556	1	44	0.0	-63.70	346.48	9.27	-54.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)(F)F)=CS3)C[C@H]2C1	REAL300005313557	0	41	0.0	-49.40	338.12	8.12	-41.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(F)(F)F)=CS3)C[C@H]2C1	REAL300005313557	1	41	0.0	-67.60	339.59	8.01	-59.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OCC4CC4)=C3)C[C@H]2C1	REAL300005313558	0	52	0.0	-68.15	390.18	9.74	-58.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(OCC4CC4)=C3)C[C@H]2C1	REAL300005313558	1	52	0.0	-78.70	391.44	9.82	-68.88
CSC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005313559	0	45	0.0	-58.19	365.05	9.88	-48.31
CSC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300005313559	1	45	0.0	-77.52	364.18	9.55	-67.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(C)(F)F)=C3)C[C@H]2C1	REAL300005313560	0	47	0.0	-68.60	361.72	9.47	-59.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(C)(F)F)=C3)C[C@H]2C1	REAL300005313560	1	47	0.0	-77.90	361.61	9.54	-68.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=CSC4=C3)C[C@H]2C1	REAL300005313561	0	44	0.0	-60.55	343.97	9.28	-51.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=CSC4=C3)C[C@H]2C1	REAL300005313561	1	44	0.0	-71.43	345.19	9.35	-62.08
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=NN2C)=N1	REAL300005313562	0	51	0.0	-74.43	391.91	7.32	-67.11
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=NN2C)=N1	REAL300005313562	1	51	0.0	-82.64	392.09	6.98	-75.66
CC1CCC(C)(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005313563	0	50	0.0	-60.92	350.78	8.69	-52.23
CC1CCC(C)(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005313563	1	50	0.0	-64.78	349.97	8.59	-56.19
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=CO1	REAL300005313564	0	47	0.0	-50.90	358.72	8.35	-42.55
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=CO1	REAL300005313564	1	47	0.0	-65.03	363.64	8.51	-56.52
CC1=NC=C2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=N1	REAL300005313565	0	52	0.0	-54.01	387.26	8.59	-45.42
CC1=NC=C2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=N1	REAL300005313565	1	52	0.0	-62.99	389.62	8.55	-54.44
CC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005313566	0	47	0.0	-63.10	377.69	8.86	-54.24
CC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005313566	1	47	0.0	-62.30	373.87	8.88	-53.42
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=N1	REAL300005313567	0	47	0.0	-58.77	356.03	5.30	-53.47
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=N1	REAL300005313567	1	47	0.0	-65.71	356.32	5.18	-60.53
CC1=CN(CC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)N=C1	REAL300005313568	0	54	0.0	-75.38	414.98	10.32	-65.06
CC1=CN(CC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2)N=C1	REAL300005313568	1	54	0.0	-66.84	413.32	10.18	-56.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCCC3CCC4)C[C@H]2C1	REAL300005313569	0	51	0.0	-63.90	350.17	9.49	-54.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCCC3CCC4)C[C@H]2C1	REAL300005313569	1	51	0.0	-70.49	348.83	9.02	-61.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3OCCC[C@@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005313570	0	55	0.0	-58.83	386.36	10.30	-48.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3OCCC[C@@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005313570	1	55	0.0	-58.53	386.18	10.40	-48.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3OCCC[C@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005313571	0	55	0.0	-60.96	404.28	10.11	-50.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3OCCC[C@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005313571	1	55	0.0	-67.97	400.02	10.20	-57.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCNS3(=O)=O)C[C@H]2C1	REAL300005313572	0	49	0.0	-74.26	359.02	3.47	-70.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)CCCNS3(=O)=O)C[C@H]2C1	REAL300005313572	1	49	0.0	-82.66	358.24	3.42	-79.24
CCC1=NC=C2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=N1	REAL300005313573	0	55	0.0	-53.92	408.75	9.19	-44.73
CCC1=NC=C2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=N1	REAL300005313573	1	55	0.0	-72.11	404.85	9.06	-63.05
CCSC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313574	0	44	0.0	-74.31	337.70	7.89	-66.42
CCSC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313574	1	44	0.0	-70.67	336.92	7.78	-62.89
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3COCCO3)C[C@H]2C1	REAL300005313575	0	46	0.0	-66.28	342.08	6.44	-59.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3COCCO3)C[C@H]2C1	REAL300005313575	1	46	0.0	-70.54	342.55	6.01	-64.53
COCCC(C)(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313576	0	53	0.0	-61.16	376.15	7.65	-53.51
COCCC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313576	1	53	0.0	-67.37	378.07	7.58	-59.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C(C)(F)F)C[C@H]2C1	REAL300005313577	0	49	0.0	-67.34	353.74	8.51	-58.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C)(C)C(C)(F)F)C[C@H]2C1	REAL300005313577	1	49	0.0	-65.22	353.92	8.58	-56.64
CCC1(C)CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005313578	0	50	0.0	-65.19	359.54	9.11	-56.08
CCC1(C)CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005313578	1	50	0.0	-65.79	361.75	9.03	-56.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC=CBr)C[C@H]2C1	REAL300005313579	0	41	0.0	-62.43	332.81	8.52	-53.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC=CBr)C[C@H]2C1	REAL300005313579	1	41	0.0	-68.20	332.75	8.17	-60.03
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(F)F	REAL300005313580	0	43	0.0	-65.73	325.32	7.69	-58.04
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(F)F	REAL300005313580	1	43	0.0	-65.51	324.27	7.53	-57.98
CN1C=CC(C23CC(CC2)C3C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313581	0	55	0.0	-63.95	405.32	10.04	-53.91
CN1C=CC(C23CC(CC2)C3C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313581	1	55	0.0	-68.84	404.74	9.93	-58.91
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)C=N1	REAL300005313582	0	46	0.0	-74.91	345.10	7.48	-67.43
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C(C)C=N1	REAL300005313582	1	46	0.0	-72.96	344.69	7.52	-65.44
CC1=CC(F)=CC(C(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313583	0	50	0.0	-74.76	376.75	10.06	-64.70
CC1=CC(F)=CC(C(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313583	1	50	0.0	-64.20	377.39	10.38	-53.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=CC=C3F)C(F)F)C[C@H]2C1	REAL300005313584	0	50	0.0	-60.86	387.26	10.48	-50.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=CC=C3F)C(F)F)C[C@H]2C1	REAL300005313584	1	50	0.0	-67.70	386.65	10.41	-57.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=CC=NN43)C[C@H]2C1	REAL300005313585	0	48	0.0	-59.87	351.47	8.04	-51.83
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=CC=NN43)C[C@H]2C1	REAL300005313585	1	48	0.0	-70.30	358.69	7.57	-62.73
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313586	0	47	0.0	-58.50	373.78	7.56	-50.94
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313586	1	47	0.0	-71.62	373.77	7.57	-64.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4CC4(F)F)=C3)C[C@H]2C1	REAL300005313587	0	48	0.0	-71.02	369.24	10.17	-60.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4CC4(F)F)=C3)C[C@H]2C1	REAL300005313587	1	48	0.0	-78.13	368.62	10.21	-67.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCCC4=C3)C[C@H]2C1	REAL300005313588	0	47	0.0	-66.27	347.66	8.05	-58.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCCC4=C3)C[C@H]2C1	REAL300005313588	1	47	0.0	-70.00	347.84	7.93	-62.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3C(F)F)C[C@H]2C1	REAL300005313589	0	48	0.0	-85.54	379.44	10.01	-75.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)COC3=CC=CC=C3C(F)F)C[C@H]2C1	REAL300005313589	1	48	0.0	-72.40	376.59	9.93	-62.47
CCOC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=NC=C1	REAL300005313590	0	50	0.0	-68.78	392.68	7.70	-61.08
CCOC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=NC=C1	REAL300005313590	1	50	0.0	-72.21	392.11	7.71	-64.50
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCCC3(C)C)C[C@H]2C1	REAL300005313591	0	51	0.0	-69.51	367.82	8.05	-61.46
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCCC3(C)C)C[C@H]2C1	REAL300005313591	1	51	0.0	-66.62	368.06	7.90	-58.72
CC1=NC(C2CC2)=NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313592	0	49	0.0	-72.58	370.65	8.22	-64.36
CC1=NC(C2CC2)=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313592	1	49	0.0	-67.98	372.13	8.14	-59.84
CCC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005313593	0	48	0.0	-71.68	360.81	7.17	-64.51
CCC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005313593	1	48	0.0	-59.32	357.34	7.24	-52.08
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313594	0	56	0.0	-71.73	413.54	7.26	-64.47
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313594	1	56	0.0	-62.88	415.12	7.19	-55.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3CCC3)C[C@H]2C1	REAL300005313595	0	50	0.0	-73.04	367.95	9.72	-63.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCC3CCC3)C[C@H]2C1	REAL300005313595	1	50	0.0	-69.17	368.14	9.76	-59.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CC3C3C4C3(F)F)C[C@H]2C1	REAL300005313596	0	49	0.0	-68.98	357.67	9.51	-59.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CC3C3C4C3(F)F)C[C@H]2C1	REAL300005313596	1	49	0.0	-65.48	347.85	9.16	-56.32
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC3(C3=CN=CS3)CC4)C[C@H]2C1	REAL300005313597	0	51	0.0	-66.81	389.56	9.12	-57.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4CC3(C3=CN=CS3)CC4)C[C@H]2C1	REAL300005313597	1	51	0.0	-68.58	386.06	8.99	-59.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CC3)COCCO4)C[C@H]2C1	REAL300005313598	0	56	0.0	-69.03	398.79	7.58	-61.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CC3)COCCO4)C[C@H]2C1	REAL300005313598	1	56	0.0	-61.36	390.06	7.38	-53.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@H]4C[C@]3(C3=CC=CS3)CC4)C[C@H]2C1	REAL300005313599	0	52	0.0	-77.48	395.10	10.91	-66.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@H]4C[C@]3(C3=CC=CS3)CC4)C[C@H]2C1	REAL300005313599	1	52	0.0	-69.65	395.36	10.94	-58.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCNS(=O)(=O)C4=C3)C[C@H]2C1	REAL300005313600	0	47	0.0	-84.91	370.00	1.72	-83.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CCNS(=O)(=O)C4=C3)C[C@H]2C1	REAL300005313600	1	47	0.0	-80.94	370.50	1.71	-79.23
CC1=NN(C2=CC=CC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313601	0	51	0.0	-65.87	387.20	10.22	-55.65
CC1=NN(C2=CC=CC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313601	1	51	0.0	-70.11	388.31	10.20	-59.91
CC1=NC=NC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313602	0	45	0.0	-59.13	344.43	7.28	-51.85
CC1=NC=NC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313602	1	45	0.0	-60.07	343.62	7.17	-52.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=C(F)C=CC=C4Cl)CCC3)C[C@H]2C1	REAL300005313603	0	51	0.0	-56.98	385.75	10.49	-46.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=C(F)C=CC=C4Cl)CCC3)C[C@H]2C1	REAL300005313603	1	51	0.0	-68.99	380.33	10.28	-58.71
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313604	0	55	0.0	-75.88	398.15	9.23	-66.65
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313604	1	55	0.0	-66.57	401.61	9.19	-57.38
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C)(C3)OC43CCC3)C[C@H]2C1	REAL300005313605	0	53	0.0	-75.35	375.14	8.08	-67.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C)(C3)OC43CCC3)C[C@H]2C1	REAL300005313605	1	53	0.0	-70.99	371.80	7.88	-63.11
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C)(C3)OC43CCOCC3)C[C@H]2C1	REAL300005313606	0	57	0.0	-63.25	398.06	6.75	-56.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C)(C3)OC43CCOCC3)C[C@H]2C1	REAL300005313606	1	57	0.0	-71.77	391.78	6.50	-65.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)C[C@H]2C1	REAL300005313607	0	48	0.0	-69.70	349.30	9.05	-60.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)C[C@H]2C1	REAL300005313607	1	48	0.0	-70.66	355.79	9.11	-61.55
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NC(C)=N1	REAL300005313608	0	45	0.0	-56.76	345.23	7.42	-49.34
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NC(C)=N1	REAL300005313608	1	45	0.0	-66.50	342.11	7.21	-59.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=CC=C(F)C=C43)C[C@H]2C1	REAL300005313609	0	44	0.0	-62.76	345.40	7.29	-55.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=CC=C(F)C=C43)C[C@H]2C1	REAL300005313609	1	44	0.0	-70.00	345.82	7.15	-62.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=C(F)C=CC4=NN3)C[C@H]2C1	REAL300005313609	1	44	0.0	-66.35	340.93	7.17	-59.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=C(F)C=CC4=NN3)C[C@H]2C1	REAL300005313609	1	44	0.0	-73.03	340.95	7.17	-65.86
CC1=COC(C(C)C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313610	0	50	0.0	-62.42	383.50	9.21	-53.21
CC1=COC(C(C)C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313610	1	50	0.0	-70.59	383.93	9.11	-61.48
COC1=CC=C(C23CC(CC2)C3C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313611	0	59	0.0	-68.34	431.02	11.14	-57.20
COC1=CC=C(C23CC(CC2)C3C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313611	1	59	0.0	-68.50	428.01	10.97	-57.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCOCC4)CCOCC3)C[C@H]2C1	REAL300005313612	0	59	0.0	-82.14	391.49	6.81	-75.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCOCC4)CCOCC3)C[C@H]2C1	REAL300005313612	1	59	0.0	-73.19	390.37	6.72	-66.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3CC3(F)F)C[C@H]2C1	REAL300005313613	0	48	0.0	-67.61	365.43	10.14	-57.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC=C3C3CC3(F)F)C[C@H]2C1	REAL300005313613	1	48	0.0	-61.86	366.77	10.15	-51.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=NN3C3CC3)C[C@H]2C1	REAL300005313614	0	44	0.0	-73.69	335.26	6.02	-67.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=NN3C3CC3)C[C@H]2C1	REAL300005313614	1	44	0.0	-66.12	334.17	5.88	-60.24
CCC1=NN(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005313615	0	47	0.0	-72.45	378.02	7.78	-64.67
CCC1=NN(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005313615	1	47	0.0	-60.46	379.13	7.75	-52.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005313616	0	45	0.0	-64.93	360.72	9.66	-55.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=CC(F)=C3)C[C@H]2C1	REAL300005313616	1	45	0.0	-68.21	363.92	9.60	-58.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C(Br)O4)N3)C[C@H]2C1	REAL300005313617	0	42	0.0	-60.20	342.76	7.61	-52.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(C=C(Br)O4)N3)C[C@H]2C1	REAL300005313617	1	42	0.0	-67.95	344.72	7.19	-60.76
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313618	0	52	0.0	-69.42	399.11	8.93	-60.49
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313618	1	52	0.0	-63.60	399.13	8.87	-54.73
CCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005313619	0	51	0.0	-58.47	389.63	7.88	-50.59
CCC1=NC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005313619	1	51	0.0	-63.67	390.04	7.79	-55.88
CC(C)C1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005313620	0	50	0.0	-66.40	401.56	9.58	-56.82
CC(C)C1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005313620	1	50	0.0	-74.81	402.10	9.48	-65.33
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005313621	0	47	0.0	-44.95	371.55	8.89	-36.06
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005313621	1	47	0.0	-59.73	382.43	8.90	-50.83
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NS1	REAL300005313622	0	40	0.0	-62.44	311.48	6.38	-56.06
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NS1	REAL300005313622	1	40	0.0	-61.69	311.31	6.49	-55.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NNC3=O)C[C@H]2C1	REAL300005313623	0	47	0.0	-65.20	366.14	5.99	-59.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=NNC3=O)C[C@H]2C1	REAL300005313623	1	47	0.0	-63.10	369.19	5.95	-57.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCO4)CC3)C[C@H]2C1	REAL300005313624	0	52	0.0	-57.69	380.05	8.39	-49.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCCCO4)CC3)C[C@H]2C1	REAL300005313624	1	52	0.0	-64.72	375.11	8.64	-56.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=C(F)C=C4)CCCO3)C[C@H]2C1	REAL300005313625	0	55	0.0	-68.89	403.99	10.55	-58.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=C(F)C=C4)CCCO3)C[C@H]2C1	REAL300005313625	1	55	0.0	-62.83	399.73	10.06	-52.77
CC1=CC(C)=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005313626	0	51	0.0	-59.68	383.19	10.11	-49.57
CC1=CC(C)=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC2=C1	REAL300005313626	1	51	0.0	-72.33	383.68	9.77	-62.56
CC1=NC2=C(NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)S1	REAL300005313627	0	44	0.0	-77.74	348.46	6.35	-71.39
CC1=NC2=C(NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)S1	REAL300005313627	1	44	0.0	-73.78	348.05	6.36	-67.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4COC(C)(C)C4=NN3)C[C@H]2C1	REAL300005313628	0	49	0.0	-71.38	371.89	5.27	-66.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4COC(C)(C)C4=NN3)C[C@H]2C1	REAL300005313628	1	49	0.0	-66.93	367.31	5.39	-61.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=C3COC4(C)C)C[C@H]2C1	REAL300005313628	1	49	0.0	-74.90	367.97	5.58	-69.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC4=C3COC4(C)C)C[C@H]2C1	REAL300005313628	1	49	0.0	-68.91	370.82	5.47	-63.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CN=CC=N3)C[C@H]2C1	REAL300005313629	0	43	0.0	-63.94	336.91	6.20	-57.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CN=CC=N3)C[C@H]2C1	REAL300005313629	1	43	0.0	-65.19	339.06	6.13	-59.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CCOCC4)=NN3)C[C@H]2C1	REAL300005313630	0	52	0.0	-58.98	383.49	6.58	-52.40
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CCOCC4)=NN3)C[C@H]2C1	REAL300005313630	1	52	0.0	-70.87	383.86	6.24	-64.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CCCC4)N=C3)C[C@H]2C1	REAL300005313631	0	51	0.0	-64.10	373.90	8.42	-55.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4CCCC4)N=C3)C[C@H]2C1	REAL300005313631	1	51	0.0	-60.37	375.55	8.32	-52.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC4=C3CC(F)(F)CC4)C[C@H]2C1	REAL300005313632	0	47	0.0	-70.20	361.04	8.70	-61.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC4=C3CC(F)(F)CC4)C[C@H]2C1	REAL300005313632	1	47	0.0	-67.46	359.13	8.44	-59.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CC4=CC=CN=C43)C[C@H]2C1	REAL300005313633	0	50	0.0	-77.56	385.92	10.24	-67.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCN3C=CC4=CC=CN=C43)C[C@H]2C1	REAL300005313633	1	50	0.0	-75.53	386.11	10.28	-65.25
CCCC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005313634	0	46	0.0	-57.60	361.82	8.04	-49.56
CCCC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005313634	1	46	0.0	-66.46	362.24	7.91	-58.55
CC1=NN(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005313635	0	44	0.0	-74.16	356.58	7.06	-67.10
CC1=NN(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300005313635	1	44	0.0	-72.69	356.62	7.10	-65.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)N3)C[C@H]2C1	REAL300005313636	0	51	0.0	-50.12	375.14	8.61	-41.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)N3)C[C@H]2C1	REAL300005313636	1	51	0.0	-72.73	376.20	8.67	-64.06
COC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=N1	REAL300005313637	0	48	0.0	-56.31	367.52	6.57	-49.74
COC1=CC=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=N1	REAL300005313637	1	48	0.0	-67.37	369.48	6.16	-61.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC(C(C)(C)C)=N3)C[C@H]2C1	REAL300005313638	0	50	0.0	-54.52	375.83	7.98	-46.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC(C(C)(C)C)=N3)C[C@H]2C1	REAL300005313638	1	50	0.0	-67.92	375.62	7.79	-60.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(C)(C)C)N3)C[C@H]2C1	REAL300005313638	1	50	0.0	-78.00	371.60	7.69	-70.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(C)(C)C)N3)C[C@H]2C1	REAL300005313638	1	50	0.0	-73.85	371.68	7.70	-66.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCC4=CC=CC=C43)C[C@H]2C1	REAL300005313639	0	48	0.0	-67.04	360.28	10.07	-56.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCC4=CC=CC=C43)C[C@H]2C1	REAL300005313639	1	48	0.0	-71.50	356.93	10.16	-61.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCOC4=C3)C[C@H]2C1	REAL300005313640	0	46	0.0	-68.77	342.97	7.75	-61.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4CCOC4=C3)C[C@H]2C1	REAL300005313640	1	46	0.0	-72.29	343.16	7.65	-64.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3C[C@@H]4COC[C@H]34)C[C@H]2C1	REAL300005313641	0	49	0.0	-77.73	358.28	7.41	-70.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3C[C@@H]4COC[C@H]34)C[C@H]2C1	REAL300005313641	1	49	0.0	-68.49	355.57	7.25	-61.24
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313642	0	54	0.0	-72.45	412.38	11.74	-60.71
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313642	1	54	0.0	-70.17	412.57	11.79	-58.38
COC1=CC=C(C(C)=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313643	0	52	0.0	-60.09	396.79	9.68	-50.41
COC1=CC=C(C(C)=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313643	1	52	0.0	-68.03	393.10	9.51	-58.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005313644	0	45	0.0	-64.73	371.04	10.11	-54.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CSC3=CC=CC(Cl)=C3)C[C@H]2C1	REAL300005313644	1	45	0.0	-67.89	374.24	10.05	-57.84
COCC1=CN=C(OC)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313645	0	51	0.0	-55.81	392.63	5.38	-50.43
COCC1=CN=C(OC)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313645	1	51	0.0	-79.46	390.87	5.45	-74.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NC(C4CC4)=N3)C[C@H]2C1	REAL300005313646	0	46	0.0	-83.16	361.69	6.61	-76.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NC(C4CC4)=N3)C[C@H]2C1	REAL300005313646	1	46	0.0	-71.53	361.55	6.53	-65.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4OC=CC4=CC=C3Cl)C[C@H]2C1	REAL300005313647	0	44	0.0	-76.10	359.61	9.01	-67.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4OC=CC4=CC=C3Cl)C[C@H]2C1	REAL300005313647	1	44	0.0	-72.27	360.70	8.95	-63.32
COC1=CC2=C(OCC2)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313648	0	50	0.0	-58.22	373.97	7.32	-50.90
COC1=CC2=C(OCC2)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313648	1	50	0.0	-80.51	375.53	7.31	-73.20
CCN1C=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313649	0	43	0.0	-67.72	329.89	8.03	-59.69
CCN1C=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313649	1	43	0.0	-74.93	333.09	7.98	-66.95
C=C(Cl)CCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313650	0	41	0.0	-59.78	328.35	8.34	-51.44
C=C(Cl)CCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313650	1	41	0.0	-66.14	328.31	7.99	-58.15
CC(CC1CCC1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313651	0	50	0.0	-61.78	356.64	9.40	-52.38
CC(CC1CCC1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313651	1	50	0.0	-64.53	364.40	9.28	-55.25
CCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005313653	0	45	0.0	-56.46	339.22	7.63	-48.83
CCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005313653	1	45	0.0	-68.79	338.49	7.53	-61.26
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=CC=C(F)C=C12	REAL300005313654	0	48	0.0	-62.61	366.00	9.23	-53.38
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=CC=C(F)C=C12	REAL300005313654	1	48	0.0	-59.48	361.59	9.29	-50.19
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313655	0	48	0.0	-61.13	367.13	9.86	-51.27
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313655	1	48	0.0	-71.68	366.34	9.76	-61.92
C[C@H](C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005313656	0	50	0.0	-61.25	380.13	8.50	-52.75
C[C@H](C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005313656	1	50	0.0	-67.36	375.32	7.91	-59.45
CC1=CN(C2=CC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)N=C1	REAL300005313657	0	51	0.0	-90.39	390.20	9.86	-80.53
CC1=CN(C2=CC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)N=C1	REAL300005313657	1	51	0.0	-77.46	387.81	9.69	-67.77
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313658	0	50	0.0	-66.39	380.57	10.17	-56.22
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313658	1	50	0.0	-62.36	388.68	10.31	-52.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC(F)=CC=C43)C[C@H]2C1	REAL300005313659	0	47	0.0	-71.52	358.77	10.30	-61.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC(F)=CC=C43)C[C@H]2C1	REAL300005313659	1	47	0.0	-77.28	359.71	10.35	-66.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4OC=CC4=C3)C[C@H]2C1	REAL300005313660	0	43	0.0	-57.83	332.98	5.27	-52.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4OC=CC4=C3)C[C@H]2C1	REAL300005313660	1	43	0.0	-71.12	329.80	5.14	-65.98
C=CCC(C)(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313661	0	50	0.0	-61.27	357.41	9.20	-52.07
C=CCC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313661	1	50	0.0	-67.24	359.33	9.12	-58.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C3CC3(F)F)C[C@H]2C1	REAL300005313662	0	45	0.0	-63.67	351.48	7.70	-55.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3C3CC3(F)F)C[C@H]2C1	REAL300005313662	1	45	0.0	-65.93	352.65	7.57	-58.36
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(CC2=CC=CC=C2)N1	REAL300005313663	0	58	0.0	-65.47	437.32	11.56	-53.91
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C(CC2=CC=CC=C2)N1	REAL300005313663	1	58	0.0	-61.36	437.93	11.51	-49.85
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@@H](OC(C)(C)C)C3)C[C@H]2C1	REAL300005313664	0	54	0.0	-75.54	393.81	8.43	-67.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@@H](OC(C)(C)C)C3)C[C@H]2C1	REAL300005313664	1	54	0.0	-69.67	394.63	8.41	-61.26
CCC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCC1	REAL300005313665	0	53	0.0	-73.03	377.74	9.95	-63.08
CCC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCC1	REAL300005313665	1	53	0.0	-67.40	379.09	9.92	-57.48
CCOC1=CC=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005313666	0	55	0.0	-64.55	410.98	9.37	-55.18
CCOC1=CC=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005313666	1	55	0.0	-68.43	410.72	9.23	-59.20
CCC1=CC=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005313667	0	54	0.0	-63.53	402.45	10.60	-52.93
CCC1=CC=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005313667	1	54	0.0	-59.32	398.03	10.66	-48.66
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=CC(C)=CC(C)=C21	REAL300005313668	0	54	0.0	-72.66	404.79	9.82	-62.84
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=CC(C)=CC(C)=C21	REAL300005313668	1	54	0.0	-59.71	390.88	10.32	-49.39
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=CC=C(C(C)C)C=C21	REAL300005313669	0	57	0.0	-63.43	419.62	11.07	-52.36
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=CC=C(C(C)C)C=C21	REAL300005313669	1	57	0.0	-59.24	415.21	11.13	-48.11
COC1=CC=CC(Br)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313670	0	45	0.0	-61.06	366.24	8.15	-52.91
COC1=CC=CC(Br)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313670	1	45	0.0	-69.14	366.63	8.06	-61.08
CC1=CC(CC2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)=CC=C1F	REAL300005313671	0	54	0.0	-69.00	412.72	11.91	-57.09
CC1=CC(CC2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)=CC=C1F	REAL300005313671	1	54	0.0	-70.92	409.74	11.40	-59.52
CC1=CC(F)=CC=C1CC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005313672	0	54	0.0	-69.42	401.29	11.16	-58.26
CC1=CC(F)=CC=C1CC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005313672	1	54	0.0	-70.76	398.93	11.56	-59.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCC[C@@H]3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005313673	0	54	0.0	-66.26	398.06	11.12	-55.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCC[C@@H]3C3=CC=C(F)C=C3)C[C@H]2C1	REAL300005313673	1	54	0.0	-63.89	389.79	10.88	-53.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5(C)CC(C)(CC(O)(C5)C3)C4)C[C@H]2C1	REAL300005313674	0	62	0.0	-46.44	418.29	7.33	-39.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5(C)CC(C)(CC(O)(C5)C3)C4)C[C@H]2C1	REAL300005313674	1	62	0.0	-58.32	418.84	7.32	-51.00
CC1=NC=CC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313675	0	47	0.0	-68.40	357.39	8.32	-60.08
CC1=NC=CC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313675	1	47	0.0	-66.71	359.55	8.25	-58.46
CC1=CN=CC=C1C=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313676	0	47	0.0	-67.13	357.54	8.34	-58.79
CC1=CN=CC=C1C=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313676	1	47	0.0	-65.83	359.70	8.28	-57.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=NC4=CC=CC=C34)C[C@H]2C1	REAL300005313677	0	50	0.0	-70.38	383.43	9.88	-60.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=NC4=CC=CC=C34)C[C@H]2C1	REAL300005313677	1	50	0.0	-68.35	385.58	9.82	-58.53
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313678	0	48	0.0	-61.13	367.13	9.86	-51.27
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313678	1	48	0.0	-71.68	366.34	9.76	-61.92
CC(=CC1=CC=CS1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313679	0	45	0.0	-59.22	351.95	9.21	-50.01
CC(=CC1=CC=CS1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313679	1	45	0.0	-66.85	352.21	8.70	-58.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(S(N)(=O)=O)CC3)C[C@H]2C1	REAL300005313680	0	52	0.0	-90.08	380.06	3.09	-86.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(S(N)(=O)=O)CC3)C[C@H]2C1	REAL300005313680	1	52	0.0	-73.56	391.75	3.38	-70.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4F)=NO3)C[C@H]2C1	REAL300005313681	0	47	0.0	-69.41	371.90	9.39	-60.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4F)=NO3)C[C@H]2C1	REAL300005313681	1	47	0.0	-66.80	373.66	9.31	-57.49
COC1=CSC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC	REAL300005313682	0	46	0.0	-59.68	361.98	6.91	-52.77
COC1=CSC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1OC	REAL300005313682	1	46	0.0	-62.14	360.31	6.98	-55.16
CSC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005313683	0	48	0.0	-80.65	392.87	10.50	-70.15
CSC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005313683	1	48	0.0	-75.95	396.28	10.49	-65.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCC(C4)C3)C[C@H]2C1	REAL300005313684	0	51	0.0	-73.29	331.87	9.32	-63.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCC(C4)C3)C[C@H]2C1	REAL300005313684	1	51	0.0	-73.60	322.25	8.88	-64.72
CC1=CC2=NC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005313685	0	49	0.0	-68.57	369.81	8.96	-59.61
CC1=CC2=NC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005313685	1	49	0.0	-63.40	374.40	9.00	-54.40
COC1=C(F)C=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1F	REAL300005313686	0	45	0.0	-59.57	353.54	7.67	-51.90
COC1=C(F)C=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1F	REAL300005313686	1	45	0.0	-64.53	357.02	7.52	-57.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C4=COC=C4)=C3)C[C@H]2C1	REAL300005313687	0	47	0.0	-65.23	360.54	8.10	-57.13
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C4=COC=C4)=C3)C[C@H]2C1	REAL300005313687	1	47	0.0	-70.29	361.47	7.64	-62.65
CC1=CC=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313688	0	46	0.0	-60.46	342.76	8.33	-52.13
CC1=CC=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313688	1	46	0.0	-58.61	342.50	8.37	-50.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@H](N4C=CN=N4)C3)C[C@H]2C1	REAL300005313689	0	47	0.0	-76.86	352.49	6.70	-70.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@H](N4C=CN=N4)C3)C[C@H]2C1	REAL300005313689	1	47	0.0	-72.51	353.40	6.61	-65.90
CCCC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313690	0	53	0.0	-73.75	401.19	11.29	-62.46
CCCC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313690	1	53	0.0	-70.44	401.38	11.34	-59.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4F)=NN3)C[C@H]2C1	REAL300005313691	0	48	0.0	-68.66	372.36	8.41	-60.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=C4F)=NN3)C[C@H]2C1	REAL300005313691	1	48	0.0	-69.15	372.80	8.31	-60.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=CC=C4F)=C3)C[C@H]2C1	REAL300005313691	1	48	0.0	-66.06	377.20	8.52	-57.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC(C4=CC=CC=C4F)=C3)C[C@H]2C1	REAL300005313691	1	48	0.0	-66.51	379.80	8.51	-58.00
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C1=CC=C(F)C=C1	REAL300005313692	0	53	0.0	-59.34	396.64	10.66	-48.68
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C1=CC=C(F)C=C1	REAL300005313692	1	53	0.0	-67.15	395.03	10.51	-56.64
C=CC1(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005313693	0	52	0.0	-62.77	365.98	7.54	-55.23
C=CC1(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCOCC1	REAL300005313693	1	52	0.0	-64.14	362.38	7.57	-56.57
CCCCC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005313694	0	49	0.0	-57.76	383.32	8.83	-48.93
CCCCC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005313694	1	49	0.0	-66.68	383.74	8.69	-57.99
CN1C=CC(N2C=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=N1	REAL300005313695	0	48	0.0	-65.41	377.02	10.01	-55.40
CN1C=CC(N2C=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2)=N1	REAL300005313695	1	48	0.0	-75.78	373.84	9.80	-65.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CNC4=CN=C3)C[C@H]2C1	REAL300005313696	0	44	0.0	-62.19	337.28	6.26	-55.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CNC4=CN=C3)C[C@H]2C1	REAL300005313696	1	44	0.0	-69.55	337.64	6.15	-63.40
CC(=CC1=CC=C(F)C=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313697	0	48	0.0	-63.40	371.68	10.47	-52.93
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC(C)(C)OC(C)(C)C3)C[C@H]2C1	REAL300005313706	0	60	0.0	-66.92	423.59	9.68	-57.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC(C)(C)OC(C)(C)C3)C[C@H]2C1	REAL300005313706	1	60	0.0	-67.09	423.56	9.52	-57.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCN4C=NC=C4C3)C[C@H]2C1	REAL300005313707	0	51	0.0	-72.71	375.69	10.38	-62.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCN4C=NC=C4C3)C[C@H]2C1	REAL300005313707	1	51	0.0	-71.08	376.39	9.95	-61.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCN3C=NN=N3)C[C@H]2C1	REAL300005313708	0	51	0.0	-78.99	392.45	9.00	-69.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCN3C=NN=N3)C[C@H]2C1	REAL300005313708	1	51	0.0	-83.30	392.40	8.65	-74.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CC(F)(F)F)C3=CC=CC=C3)C[C@H]2C1	REAL300005313709	0	50	0.0	-61.64	387.14	10.79	-50.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CC(F)(F)F)C3=CC=CC=C3)C[C@H]2C1	REAL300005313709	1	50	0.0	-65.37	387.50	10.33	-55.04
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C3CS(=O)(=O)C4)C[C@H]2C1	REAL300005313711	0	45	0.0	-68.17	359.55	4.05	-64.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C3CS(=O)(=O)C4)C[C@H]2C1	REAL300005313711	1	45	0.0	-61.08	354.87	3.93	-57.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCOC4)C=C3)C[C@H]2C1	REAL300005313712	0	52	0.0	-67.81	384.24	8.64	-59.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CCOC4)C=C3)C[C@H]2C1	REAL300005313712	1	52	0.0	-60.17	383.49	8.57	-51.60
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC4=C3CCCC4)C[C@H]2C1	REAL300005313713	0	50	0.0	-67.87	362.87	8.53	-59.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC4=C3CCCC4)C[C@H]2C1	REAL300005313713	1	50	0.0	-61.61	360.45	8.63	-52.98
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CN=NN43)C[C@H]2C1	REAL300005313720	0	43	0.0	-74.85	337.12	6.62	-68.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CN=NN43)C[C@H]2C1	REAL300005313720	1	43	0.0	-66.18	338.85	6.58	-59.60
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=C3N=CS4)C[C@H]2C1	REAL300005313728	0	47	0.0	-65.92	359.94	7.90	-58.02
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(N4C=NC=N4)CC3)C[C@H]2C1	REAL300005313729	0	44	0.0	-58.29	344.59	8.69	-49.60
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CC(C)C1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005313734	0	50	0.0	-62.95	365.81	9.66	-53.29
CC(C)C1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005313734	1	50	0.0	-68.52	366.21	9.24	-59.28
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C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(F)(F)F)S3)C[C@H]2C1	REAL300005313737	0	40	0.0	-62.52	335.87	6.27	-56.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(F)(F)F)S3)C[C@H]2C1	REAL300005313737	1	40	0.0	-64.61	336.12	6.32	-58.29
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CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NNC1=O	REAL300005313738	1	43	0.0	-64.91	331.75	4.63	-60.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CN4N=N3)C[C@H]2C1	REAL300005313739	0	43	0.0	-73.25	332.23	6.95	-66.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CN4N=N3)C[C@H]2C1	REAL300005313739	1	43	0.0	-71.18	333.98	6.81	-64.37
COC1=CC=C2NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005313740	0	52	0.0	-70.48	398.29	8.01	-62.47
COC1=CC=C2NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005313740	1	52	0.0	-60.98	384.71	8.50	-52.48
CC1CCC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1C	REAL300005313741	0	56	0.0	-72.19	394.39	10.43	-61.76
CC1CCC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1C	REAL300005313741	1	56	0.0	-66.44	388.97	10.13	-56.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC4=NC=CC=C43)C[C@H]2C1	REAL300005313742	0	45	0.0	-71.16	341.84	7.47	-63.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC4=NC=CC=C43)C[C@H]2C1	REAL300005313742	1	45	0.0	-66.72	343.03	7.33	-59.39
CC1=CC=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313743	0	42	0.0	-65.89	323.92	6.93	-58.96
CC1=CC=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313743	1	42	0.0	-66.82	319.69	7.05	-59.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)C=C3[N+](=O)[O-])C[C@H]2C1	REAL300005313744	0	55	0.0	-81.15	413.02	11.97	-69.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C(C)(C)C)C=C3[N+](=O)[O-])C[C@H]2C1	REAL300005313744	1	55	0.0	-61.22	414.41	11.92	-49.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)(F)CCN3C=CN=N3)C[C@H]2C1	REAL300005313745	0	46	0.0	-78.14	362.21	6.57	-71.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)(F)CCN3C=CN=N3)C[C@H]2C1	REAL300005313745	1	46	0.0	-75.48	362.59	6.61	-68.87
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313746	0	47	0.0	-54.84	365.39	9.46	-45.38
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313746	1	47	0.0	-52.19	364.51	9.41	-42.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)(F)CCN3C=CC=N3)C[C@H]2C1	REAL300005313747	0	47	0.0	-74.27	368.39	7.79	-66.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)(F)CCN3C=CC=N3)C[C@H]2C1	REAL300005313747	1	47	0.0	-72.06	368.76	7.84	-64.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=CN=CN43)C[C@H]2C1	REAL300005313748	0	41	0.0	-57.06	334.31	8.53	-48.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CSC4=CN=CN43)C[C@H]2C1	REAL300005313748	1	41	0.0	-75.60	333.67	8.54	-67.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(CN4CCOCC4)C=CO3)C[C@H]2C1	REAL300005313749	0	54	0.0	-73.18	401.19	5.64	-67.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(CN4CCOCC4)C=CO3)C[C@H]2C1	REAL300005313749	1	54	0.0	-69.19	399.45	5.40	-63.79
CC1=NN=NN1C(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005313750	0	52	0.0	-94.58	393.67	8.32	-86.26
CC1=NN=NN1C(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005313750	1	52	0.0	-85.34	393.30	8.41	-76.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C3=CN=CC=N3)C[C@H]2C1	REAL300005313751	0	51	0.0	-67.94	380.20	6.58	-61.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN3C3=CN=CC=N3)C[C@H]2C1	REAL300005313751	1	51	0.0	-67.55	376.51	5.63	-61.92
CC1=CC=C(C=CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313752	0	51	0.0	-67.97	388.22	11.10	-56.87
CC1=CC=C(C=CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313752	1	51	0.0	-67.84	390.31	11.02	-56.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3)C[C@H]2C1	REAL300005313753	0	45	0.0	-65.65	344.68	9.58	-56.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=CC=C3)C[C@H]2C1	REAL300005313753	1	45	0.0	-64.84	346.82	9.50	-55.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CN=C4)N=N3)C[C@H]2C1	REAL300005313754	0	46	0.0	-56.12	362.16	6.46	-49.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CN=C4)N=N3)C[C@H]2C1	REAL300005313754	1	46	0.0	-66.49	362.58	6.36	-60.13
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1CC1=CC=NC=C1	REAL300005313755	0	52	0.0	-60.86	397.94	7.34	-53.52
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1CC1=CC=NC=C1	REAL300005313755	1	52	0.0	-59.94	401.28	7.45	-52.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NNC=C3)C[C@H]2C1	REAL300005313756	0	44	0.0	-72.54	338.05	6.25	-66.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NNC=C3)C[C@H]2C1	REAL300005313756	1	44	0.0	-69.53	338.24	6.29	-63.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CC3=CC=CC=C3)C3CCCCC3)C[C@H]2C1	REAL300005313757	0	63	0.0	-61.52	438.54	13.05	-48.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(CC3=CC=CC=C3)C3CCCCC3)C[C@H]2C1	REAL300005313757	1	63	0.0	-69.18	436.04	12.52	-56.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC(F)(F)F)C=N3)C[C@H]2C1	REAL300005313758	0	44	0.0	-61.52	356.02	9.32	-52.20
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(CC(F)(F)F)C=N3)C[C@H]2C1	REAL300005313758	1	44	0.0	-72.73	356.47	9.20	-63.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC4=C(Cl)C=CC=C34)C[C@H]2C1	REAL300005313759	0	46	0.0	-65.17	363.18	8.81	-56.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC4=C(Cl)C=CC=C34)C[C@H]2C1	REAL300005313759	1	46	0.0	-64.01	364.75	8.82	-55.19
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313760	0	55	0.0	-76.34	405.70	11.61	-64.73
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313760	1	55	0.0	-71.57	405.40	11.63	-59.94
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313761	0	55	0.0	-77.55	405.53	11.58	-65.97
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313761	1	55	0.0	-73.59	405.30	11.61	-61.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C)(C3)CO4)C[C@H]2C1	REAL300005313762	0	46	0.0	-52.23	340.44	6.85	-45.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C)(C3)CO4)C[C@H]2C1	REAL300005313762	1	46	0.0	-60.53	339.70	6.84	-53.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CCCCCC3)C[C@H]2C1	REAL300005313763	0	51	0.0	-60.06	348.61	6.28	-53.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(O)CCCCCC3)C[C@H]2C1	REAL300005313763	1	51	0.0	-68.86	347.88	6.08	-62.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(=O)C3=CC(Cl)=CC(Cl)=C3)C[C@H]2C1	REAL300005313764	0	43	0.0	-63.38	362.75	9.24	-54.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(=O)C3=CC(Cl)=CC(Cl)=C3)C[C@H]2C1	REAL300005313764	1	43	0.0	-61.24	360.88	9.05	-52.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(S(N)(=O)=O)=CS3)C[C@H]2C1	REAL300005313765	0	43	0.0	-61.53	356.71	1.86	-59.67
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(S(N)(=O)=O)=CS3)C[C@H]2C1	REAL300005313765	1	43	0.0	-64.01	355.63	1.91	-62.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(C)(C)C)O3)C[C@H]2C1	REAL300005313766	0	49	0.0	-62.81	368.44	5.62	-57.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C(C)(C)C)O3)C[C@H]2C1	REAL300005313766	1	49	0.0	-69.30	368.75	5.49	-63.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4C(=O)NC=CC4=C3)C[C@H]2C1	REAL300005313767	0	46	0.0	-93.99	356.84	5.44	-88.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4C(=O)NC=CC4=C3)C[C@H]2C1	REAL300005313767	1	46	0.0	-90.34	355.23	5.48	-84.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(F)C(F)=C3)C[C@H]2C1	REAL300005313768	0	50	0.0	-59.80	372.99	10.24	-49.56
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC=C(F)C(F)=C3)C[C@H]2C1	REAL300005313768	1	50	0.0	-62.13	368.01	10.06	-52.07
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313769	0	54	0.0	-70.52	401.34	10.57	-59.95
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313769	1	54	0.0	-66.61	400.33	10.44	-56.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C3)C[C@H]2C1	REAL300005313770	0	46	0.0	-64.19	346.55	9.81	-54.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C3)C[C@H]2C1	REAL300005313770	1	46	0.0	-68.71	346.26	9.70	-59.01
COC1=CC=CC=C1N1N=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313771	0	52	0.0	-70.24	391.90	8.57	-61.67
COC1=CC=CC=C1N1N=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313771	1	52	0.0	-67.99	394.64	8.54	-59.45
COCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC=CCC1	REAL300005313772	0	52	0.0	-69.56	366.96	7.49	-62.07
COCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC=CCC1	REAL300005313772	1	52	0.0	-69.09	369.10	7.52	-61.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOCC34CCCCC4)C[C@H]2C1	REAL300005313773	0	58	0.0	-69.05	388.88	8.78	-60.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOCC34CCCCC4)C[C@H]2C1	REAL300005313773	1	58	0.0	-64.27	387.92	8.54	-55.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CC4CCC3CC4)C[C@H]2C1	REAL300005313774	0	54	0.0	-64.32	372.56	9.37	-54.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C(F)(F)F)CC4CCC3CC4)C[C@H]2C1	REAL300005313774	1	54	0.0	-66.15	371.50	9.32	-56.83
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2F)=NO1	REAL300005313775	0	50	0.0	-62.40	400.26	10.24	-52.16
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=CC=C2F)=NO1	REAL300005313775	1	50	0.0	-65.55	398.76	10.06	-55.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCOC3)C[C@H]2C1	REAL300005313776	0	52	0.0	-79.75	376.42	8.22	-71.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CC=C4)CCOC3)C[C@H]2C1	REAL300005313776	1	52	0.0	-61.88	373.60	8.11	-53.77
CC1=CC=C(C2CCCCC2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313777	0	60	0.0	-65.29	422.01	12.13	-53.16
CC1=CC=C(C2CCCCC2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313777	1	60	0.0	-69.80	428.03	12.35	-57.45
CCC1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC2=CC=CC=C21	REAL300005313778	0	57	0.0	-77.03	396.11	10.89	-66.14
CCC1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCCC2=CC=CC=C21	REAL300005313778	1	57	0.0	-74.35	395.05	10.82	-63.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CC4)CCCO3)C[C@H]2C1	REAL300005313779	0	49	0.0	-56.05	342.35	7.54	-48.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CC4)CCCO3)C[C@H]2C1	REAL300005313779	1	49	0.0	-63.01	347.76	7.67	-55.34
CCC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005313780	0	53	0.0	-70.42	397.99	7.77	-62.65
CCC(C)C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)N1	REAL300005313780	1	53	0.0	-71.36	395.05	7.80	-63.56
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313781	0	51	0.0	-69.49	393.41	10.55	-58.94
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313781	1	51	0.0	-67.45	397.09	10.57	-56.88
CC1=CC=C(OC(C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005313782	0	54	0.0	-66.46	400.36	11.10	-55.36
CC1=CC=C(OC(C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1	REAL300005313782	1	54	0.0	-69.98	397.66	10.54	-59.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC(Cl)=CC=C43)C[C@H]2C1	REAL300005313783	0	47	0.0	-71.26	369.07	10.74	-60.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=CC(Cl)=CC=C43)C[C@H]2C1	REAL300005313783	1	47	0.0	-77.13	370.00	10.79	-66.34
CC(C)CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005313784	0	56	0.0	-47.15	409.58	11.56	-35.59
CC(C)CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005313784	1	56	0.0	-66.54	413.59	11.40	-55.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN4N=CN=C4C3)C[C@H]2C1	REAL300005313785	0	47	0.0	-72.08	348.34	8.13	-63.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCN4N=CN=C4C3)C[C@H]2C1	REAL300005313785	1	47	0.0	-64.97	353.68	8.21	-56.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C4=CC=C(F)C=C4)=C3)C[C@H]2C1	REAL300005313786	0	50	0.0	-66.25	382.88	9.63	-56.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C4=CC=C(F)C=C4)=C3)C[C@H]2C1	REAL300005313786	1	50	0.0	-68.93	383.08	9.52	-59.41
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=NNC=N2)S1	REAL300005313787	0	46	0.0	-72.77	369.65	7.54	-65.23
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=C(C2=NNC=N2)S1	REAL300005313787	1	46	0.0	-70.62	372.18	7.39	-63.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(CC4=CC=CC=C4)=CN3)C[C@H]2C1	REAL300005313788	0	52	0.0	-66.86	398.00	10.76	-56.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(CC4=CC=CC=C4)=CN3)C[C@H]2C1	REAL300005313788	1	52	0.0	-75.91	397.76	10.79	-65.12
C=CCCC(CC(C)C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313789	0	56	0.0	-61.09	402.71	10.46	-50.63
C=CCCC(CC(C)C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313789	1	56	0.0	-64.89	393.55	10.04	-54.85
C=CCC(CC(C)C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313790	0	53	0.0	-59.09	381.61	9.66	-49.43
C=CCC(CC(C)C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313790	1	53	0.0	-63.66	380.65	10.26	-53.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CSC=C4)C=C3)C[C@H]2C1	REAL300005313791	0	48	0.0	-56.35	375.68	10.40	-45.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CSC=C4)C=C3)C[C@H]2C1	REAL300005313791	1	48	0.0	-75.16	373.57	10.40	-64.76
CC(C)COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005313792	0	56	0.0	-67.57	404.47	9.68	-57.89
CC(C)COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005313792	1	56	0.0	-68.54	404.90	9.60	-58.94
CC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=CC2=NN1	REAL300005313793	0	46	0.0	-60.51	354.62	6.43	-54.08
CC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=CC2=NN1	REAL300005313793	1	46	0.0	-69.35	355.05	6.32	-63.03
CC(C)CC(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313794	0	59	0.0	-60.06	432.42	12.17	-47.89
CC(C)CC(CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313794	1	59	0.0	-62.97	416.15	11.78	-51.19
CC1=CC2=CC=CN=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313795	0	49	0.0	-66.14	373.05	9.31	-56.83
CC1=CC2=CC=CN=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313795	1	49	0.0	-84.34	369.65	9.14	-75.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4N=CC=CN34)C[C@H]2C1	REAL300005313796	0	43	0.0	-78.30	329.30	8.93	-69.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4N=CC=CN34)C[C@H]2C1	REAL300005313796	1	43	0.0	-72.29	328.92	8.82	-63.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Br)=CS3)C[C@H]2C1	REAL300005313797	0	41	0.0	-73.21	349.64	8.83	-64.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(Br)=CS3)C[C@H]2C1	REAL300005313797	1	41	0.0	-65.34	349.42	8.75	-56.59
CC1OC2(C)CC1(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)C2	REAL300005313798	0	49	0.0	-60.55	356.99	6.90	-53.65
CC1OC2(C)CC1(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)C2	REAL300005313798	1	49	0.0	-68.07	355.54	6.94	-61.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34COC(C=CC3)C4)C[C@H]2C1	REAL300005313799	0	47	0.0	-47.35	333.04	6.48	-40.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34COC(C=CC3)C4)C[C@H]2C1	REAL300005313799	1	47	0.0	-52.26	334.04	6.56	-45.70
CN1C=C(C2=CC=CC=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313800	0	51	0.0	-69.20	390.61	9.65	-59.55
CN1C=C(C2=CC=CC=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313800	1	51	0.0	-80.73	392.63	9.25	-71.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CCC4)ON=C3)C[C@H]2C1	REAL300005313801	0	47	0.0	-57.23	350.83	8.71	-48.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CCC4)ON=C3)C[C@H]2C1	REAL300005313801	1	47	0.0	-64.89	351.82	8.29	-56.60
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300005313802	0	49	0.0	-70.68	375.24	8.99	-61.69
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300005313802	1	49	0.0	-65.96	373.76	8.90	-57.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(C4=CC=CC=C4)S3)C[C@H]2C1	REAL300005313803	0	52	0.0	-63.75	412.83	12.36	-51.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(C4=CC=CC=C4)S3)C[C@H]2C1	REAL300005313803	1	52	0.0	-64.69	414.96	12.29	-52.40
COCCN1C=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005313804	0	55	0.0	-62.87	420.75	9.76	-53.11
COCCN1C=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005313804	1	55	0.0	-67.09	421.04	9.66	-57.43
C[C@@H](C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005313805	0	47	0.0	-68.16	355.44	9.42	-58.74
C[C@@H](C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005313805	1	47	0.0	-69.08	355.68	9.42	-59.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@@H](C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005313806	0	51	0.0	-64.09	380.92	11.25	-52.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@@H](C4=CC=CC=C4)C3)C[C@H]2C1	REAL300005313806	1	51	0.0	-68.27	381.03	10.80	-57.47
CCC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)CC(F)(F)F	REAL300005313807	0	49	0.0	-69.43	361.06	8.94	-60.49
CCC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)CC(F)(F)F	REAL300005313807	1	49	0.0	-70.55	362.01	8.82	-61.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34COC(C3)CCC4)C[C@H]2C1	REAL300005313808	0	49	0.0	-76.20	339.11	6.68	-69.52
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34COC(C3)CCC4)C[C@H]2C1	REAL300005313808	1	49	0.0	-69.52	336.85	6.51	-63.01
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(CO3)C4)C[C@H]2C1	REAL300005313809	0	46	0.0	-68.36	333.89	6.85	-61.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(CO3)C4)C[C@H]2C1	REAL300005313809	1	46	0.0	-64.20	334.51	6.81	-57.39
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C)(C3)OC4)C[C@H]2C1	REAL300005313810	0	49	0.0	-75.60	352.07	6.84	-68.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C)(C3)OC4)C[C@H]2C1	REAL300005313810	1	49	0.0	-69.86	350.92	6.71	-63.15
CC(C)N1C=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005313811	0	54	0.0	-82.68	403.51	11.12	-71.56
CC(C)N1C=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005313811	1	54	0.0	-67.27	405.45	11.08	-56.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CC4F)C3)C[C@H]2C1	REAL300005313812	0	45	0.0	-77.67	342.10	8.81	-68.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CC4F)C3)C[C@H]2C1	REAL300005313812	1	45	0.0	-66.10	343.48	8.74	-57.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CC(F)CC4=C3)C[C@H]2C1	REAL300005313813	0	45	0.0	-62.22	344.02	7.25	-54.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CC(F)CC4=C3)C[C@H]2C1	REAL300005313813	1	45	0.0	-72.51	342.82	7.06	-65.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCN(CCC3)S4(=O)=O)C[C@H]2C1	REAL300005313814	0	50	0.0	-68.63	355.88	4.54	-64.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCN(CCC3)S4(=O)=O)C[C@H]2C1	REAL300005313814	1	50	0.0	-75.50	362.12	4.24	-71.26
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=CC(F)=CC(F)=C12	REAL300005313815	0	48	0.0	-61.13	370.17	9.20	-51.93
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=CC(F)=CC(F)=C12	REAL300005313815	1	48	0.0	-65.71	370.12	9.08	-56.63
CC1=CC2=C(C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N2)O1	REAL300005313816	0	45	0.0	-61.19	342.98	7.71	-53.48
CC1=CC2=C(C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N2)O1	REAL300005313816	1	45	0.0	-70.42	344.94	7.29	-63.13
CC(C)C1=CNC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=NC2=C1	REAL300005313817	0	53	0.0	-66.82	399.74	8.81	-58.01
CC(C)C1=CNC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=NC2=C1	REAL300005313817	1	53	0.0	-80.48	396.61	8.58	-71.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C(=C3)CCCS4(=O)=O)C[C@H]2C1	REAL300005313819	0	51	0.0	-74.44	389.70	6.49	-67.95
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C(=C3)CCCS4(=O)=O)C[C@H]2C1	REAL300005313819	1	51	0.0	-73.37	388.79	6.37	-67.00
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC2=CC=CC=C21	REAL300005313820	0	50	0.0	-62.66	372.51	10.83	-51.83
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CC2=CC=CC=C21	REAL300005313820	1	50	0.0	-74.39	370.18	10.80	-63.59
COC1=CC=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313821	0	50	0.0	-60.59	384.83	7.01	-53.58
COC1=CC=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005313821	1	50	0.0	-66.33	385.91	6.57	-59.76
CC1=CC=CC([C@@H](C)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313822	0	50	0.0	-48.43	370.65	10.39	-38.04
CC1=CC=CC([C@@H](C)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313822	1	50	0.0	-66.17	375.30	10.11	-56.06
COC1=CC(C)=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313823	0	47	0.0	-75.03	353.96	5.27	-69.76
COC1=CC(C)=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313823	1	47	0.0	-67.03	357.48	5.25	-61.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H]3CC=CCC3)C[C@H]2C1	REAL300005313824	0	48	0.0	-65.82	347.53	9.31	-56.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H]3CC=CCC3)C[C@H]2C1	REAL300005313824	1	48	0.0	-67.83	350.17	9.23	-58.60
CN1C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=C1C=CS2	REAL300005313825	0	45	0.0	-63.66	348.05	8.58	-55.08
CN1C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=C1C=CS2	REAL300005313825	1	45	0.0	-67.76	345.38	8.46	-59.30
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1CCC1	REAL300005313826	0	51	0.0	-66.52	376.33	8.46	-58.06
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C1CCC1	REAL300005313826	1	51	0.0	-70.51	375.46	8.45	-62.06
CCC1=CNC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313827	0	45	0.0	-66.28	338.08	7.75	-58.53
CCC1=CNC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313827	1	45	0.0	-74.49	337.86	7.77	-66.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCCC4=CN3)C[C@H]2C1	REAL300005313828	0	49	0.0	-64.54	355.44	8.81	-55.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCCC4=CN3)C[C@H]2C1	REAL300005313828	1	49	0.0	-70.08	352.30	8.60	-61.48
COCCOCC=CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313829	0	49	0.0	-64.78	379.68	5.94	-58.84
COCCOCC=CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313829	1	49	0.0	-69.38	379.32	5.87	-63.51
CN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=C1CCOC2	REAL300005313830	0	49	0.0	-56.65	364.57	6.50	-50.15
CN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=C1CCOC2	REAL300005313830	1	49	0.0	-72.65	366.53	6.35	-66.30
CC1=CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005313831	0	48	0.0	-50.03	349.98	9.04	-40.99
CC1=CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005313831	1	48	0.0	-68.68	346.50	8.92	-59.76
CC[C@H](CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005313832	0	52	0.0	-64.41	363.98	9.12	-55.29
CC[C@H](CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300005313832	1	52	0.0	-67.07	362.84	8.93	-58.14
CCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=NC=N1	REAL300005313833	0	46	0.0	-74.31	349.85	8.62	-65.69
CCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=NC=N1	REAL300005313833	1	46	0.0	-69.10	346.14	8.70	-60.40
CC1=NN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1C	REAL300005313834	0	50	0.0	-83.67	379.23	8.10	-75.57
CC1=NN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=C1C	REAL300005313834	1	50	0.0	-76.02	379.36	8.02	-68.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(Cl)C=C4F)CC3)C[C@H]2C1	REAL300005313835	0	48	0.0	-78.93	386.51	10.64	-68.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C(Cl)C=C4F)CC3)C[C@H]2C1	REAL300005313835	1	48	0.0	-73.73	386.50	10.65	-63.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCCO3)C[C@H]2C1	REAL300005313836	0	46	0.0	-55.98	345.75	7.14	-48.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3CCCO3)C[C@H]2C1	REAL300005313836	1	46	0.0	-63.08	345.29	7.09	-55.99
CC1=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005313837	0	44	0.0	-64.24	347.50	8.76	-55.48
CC1=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC=C1	REAL300005313837	1	44	0.0	-69.61	347.48	8.71	-60.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(C(F)(F)F)=CO3)C[C@H]2C1	REAL300005313838	0	44	0.0	-66.88	360.20	8.28	-58.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC(C(F)(F)F)=CO3)C[C@H]2C1	REAL300005313838	1	44	0.0	-71.21	360.56	8.26	-62.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4N=CC=C4C=C3)C[C@H]2C1	REAL300005313839	0	44	0.0	-61.99	344.96	8.07	-53.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4N=CC=C4C=C3)C[C@H]2C1	REAL300005313839	1	44	0.0	-71.12	344.93	7.95	-63.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=NN=CN43)C[C@H]2C1	REAL300005313840	0	47	0.0	-77.17	347.60	9.03	-68.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=NN=CN43)C[C@H]2C1	REAL300005313840	1	47	0.0	-81.26	350.33	8.93	-72.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC(C)(C)O3)C[C@H]2C1	REAL300005313841	0	54	0.0	-67.07	387.75	9.22	-57.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC(C)(C)O3)C[C@H]2C1	REAL300005313841	1	54	0.0	-71.44	386.96	9.11	-62.33
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC4=CC(F)=CC=C43)C[C@H]2C1	REAL300005313842	0	48	0.0	-70.36	378.15	10.59	-59.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3C=CC4=CC(F)=CC=C43)C[C@H]2C1	REAL300005313842	1	48	0.0	-72.09	375.31	10.49	-61.60
CC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=C(C)S1	REAL300005313843	0	47	0.0	-66.24	381.03	9.93	-56.31
CC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)SC2=C(C)S1	REAL300005313843	1	47	0.0	-67.70	377.97	9.89	-57.81
COC1=CC2=NC=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C=C1	REAL300005313844	0	50	0.0	-60.64	378.90	7.71	-52.93
COC1=CC2=NC=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=C2C=C1	REAL300005313844	1	50	0.0	-66.69	379.88	7.64	-59.05
COC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CN=C1	REAL300005313845	0	47	0.0	-61.33	359.76	7.14	-54.19
COC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CN=C1	REAL300005313845	1	47	0.0	-74.86	354.77	6.93	-67.93
CCSC1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005313846	0	54	0.0	-76.07	395.68	10.23	-65.84
CCSC1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005313846	1	54	0.0	-70.34	388.87	10.21	-60.13
CC1=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=N1	REAL300005313847	0	52	0.0	-62.90	396.60	9.72	-53.18
CC1=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(C)=N1	REAL300005313847	1	52	0.0	-69.68	396.50	9.38	-60.30
CC1=NN(C2CCC2)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313848	0	51	0.0	-60.02	376.85	8.34	-51.68
CC1=NN(C2CCC2)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313848	1	51	0.0	-76.64	375.40	8.33	-68.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC(F)=C4)N=C3)C[C@H]2C1	REAL300005313849	0	48	0.0	-65.68	373.12	9.23	-56.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C4=CC=CC(F)=C4)N=C3)C[C@H]2C1	REAL300005313849	1	48	0.0	-69.40	371.08	9.03	-60.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=C3CCC4)C[C@H]2C1	REAL300005313850	0	47	0.0	-67.88	347.35	8.07	-59.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NC4=C3CCC4)C[C@H]2C1	REAL300005313850	1	47	0.0	-66.23	347.80	7.96	-58.27
CCC1=C(C)SC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313851	0	47	0.0	-55.85	360.01	9.12	-46.73
CCC1=C(C)SC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313851	1	47	0.0	-71.97	357.19	9.14	-62.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(OC(F)(F)F)C3)C[C@H]2C1	REAL300005313852	0	45	0.0	-73.74	355.15	6.87	-66.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(OC(F)(F)F)C3)C[C@H]2C1	REAL300005313852	1	45	0.0	-68.13	355.41	6.93	-61.20
CC1=CC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005313853	0	50	0.0	-66.32	378.89	10.98	-55.34
CC1=CC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005313853	1	50	0.0	-75.95	375.91	10.93	-65.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4COCCC4=C3)C[C@H]2C1	REAL300005313854	0	52	0.0	-66.58	391.59	9.21	-57.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4COCCC4=C3)C[C@H]2C1	REAL300005313854	1	52	0.0	-67.54	387.94	9.29	-58.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4CCOCC4=C3)C[C@H]2C1	REAL300005313855	0	52	0.0	-76.21	390.53	9.15	-67.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C4CCOCC4=C3)C[C@H]2C1	REAL300005313855	1	52	0.0	-67.39	387.94	9.29	-58.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(S(C)(=O)=O)=CO3)C[C@H]2C1	REAL300005313856	0	44	0.0	-72.89	355.38	3.84	-69.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(S(C)(=O)=O)=CO3)C[C@H]2C1	REAL300005313856	1	44	0.0	-77.65	357.72	3.77	-73.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCF)C[C@H]2C1	REAL300005313857	0	46	0.0	-75.20	347.87	8.56	-66.64
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCCCF)C[C@H]2C1	REAL300005313857	1	46	0.0	-71.22	348.06	8.59	-62.63
CCN1N=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005313858	0	46	0.0	-57.00	346.52	6.21	-50.79
CCN1N=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1C	REAL300005313858	1	46	0.0	-68.16	346.21	6.06	-62.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C4=CC=CC(F)=C4)=C3)C[C@H]2C1	REAL300005313859	0	50	0.0	-61.43	382.89	9.63	-51.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C4=CC=CC(F)=C4)=C3)C[C@H]2C1	REAL300005313859	1	50	0.0	-66.86	383.08	9.52	-57.34
CCC1=CC=C(N2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)C=C1	REAL300005313860	0	53	0.0	-67.53	408.72	9.72	-57.81
CCC1=CC=C(N2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)N=N2)C=C1	REAL300005313860	1	53	0.0	-65.53	410.47	9.57	-55.96
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC(F)(F)C3)C[C@H]2C1	REAL300005313861	0	50	0.0	-72.70	367.75	9.46	-63.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC(F)(F)C3)C[C@H]2C1	REAL300005313861	1	50	0.0	-66.77	367.61	9.44	-57.33
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313862	0	62	0.0	-62.11	446.18	13.10	-49.01
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313862	1	62	0.0	-66.27	443.14	12.64	-53.63
CC1=NN=NN1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313863	0	42	0.0	-80.54	326.56	5.44	-75.10
CC1=NN=NN1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313863	1	42	0.0	-69.83	324.14	5.53	-64.30
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC(C(F)F)C3)C[C@H]2C1	REAL300005313864	0	47	0.0	-65.20	360.25	9.06	-56.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC(C(F)F)C3)C[C@H]2C1	REAL300005313864	1	47	0.0	-63.80	353.04	9.06	-54.74
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313865	0	52	0.0	-60.39	398.22	9.85	-50.54
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313865	1	52	0.0	-77.72	394.88	9.80	-67.92
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313866	0	49	0.0	-72.85	380.94	8.01	-64.84
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313866	1	49	0.0	-67.63	382.01	8.08	-59.55
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(N4CCOCC4)C=C3)C[C@H]2C1	REAL300005313867	0	57	0.0	-75.69	420.81	7.90	-67.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=C(N4CCOCC4)C=C3)C[C@H]2C1	REAL300005313867	1	57	0.0	-70.32	422.13	7.86	-62.46
CN1N=NC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313868	0	43	0.0	-76.30	330.16	5.43	-70.87
CN1N=NC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313868	1	43	0.0	-72.02	332.93	5.37	-66.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005313869	0	54	0.0	-68.16	410.53	9.57	-58.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=C4OCCOC4=C3)C[C@H]2C1	REAL300005313869	1	54	0.0	-71.96	410.18	9.50	-62.46
CCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005313870	0	47	0.0	-66.33	363.72	9.76	-56.57
CCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1Cl	REAL300005313870	1	47	0.0	-68.75	363.68	9.78	-58.97
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313871	0	55	0.0	-60.13	404.84	7.90	-52.23
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313871	1	55	0.0	-66.97	405.73	7.79	-59.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4CC4)C=C3)C[C@H]2C1	REAL300005313872	0	51	0.0	-68.47	383.83	10.99	-57.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4CC4)C=C3)C[C@H]2C1	REAL300005313872	1	51	0.0	-60.40	378.75	11.06	-49.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCCCC4=C3)C[C@H]2C1	REAL300005313873	0	50	0.0	-66.11	366.44	8.57	-57.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCCCC4=C3)C[C@H]2C1	REAL300005313873	1	50	0.0	-75.53	364.84	8.67	-66.86
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313874	0	49	0.0	-66.88	372.77	10.03	-56.85
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313874	1	49	0.0	-65.21	373.85	10.08	-55.13
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC3C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005313875	0	51	0.0	-60.57	384.75	10.98	-49.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC3C3=CC=CC=C3Cl)C[C@H]2C1	REAL300005313875	1	51	0.0	-57.58	385.70	10.85	-46.73
COCCN1C=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005313876	0	55	0.0	-65.51	416.41	9.61	-55.90
COCCN1C=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005313876	1	55	0.0	-70.57	416.60	9.50	-61.07
CC(C)N1C=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005313877	0	54	0.0	-63.88	400.77	11.03	-52.85
CC(C)N1C=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CC=C21	REAL300005313877	1	54	0.0	-69.72	400.95	10.92	-58.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3CC3CC3)C[C@H]2C1	REAL300005313878	0	48	0.0	-64.26	357.00	8.15	-56.11
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=NN3CC3CC3)C[C@H]2C1	REAL300005313878	1	48	0.0	-62.10	358.45	8.34	-53.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOCC3(C)C)C[C@H]2C1	REAL300005313879	0	51	0.0	-64.55	354.43	7.33	-57.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOCC3(C)C)C[C@H]2C1	REAL300005313879	1	51	0.0	-65.05	350.84	7.07	-57.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NN=CN43)C[C@H]2C1	REAL300005313880	0	43	0.0	-69.82	336.59	9.22	-60.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NN=CN43)C[C@H]2C1	REAL300005313880	1	43	0.0	-63.57	338.31	9.16	-54.41
C=CCOCC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)(C)C	REAL300005313881	0	57	0.0	-58.71	408.39	9.36	-49.35
C=CCOCC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C(C)(C)C	REAL300005313881	1	57	0.0	-64.80	409.09	8.96	-55.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C)CCCN4S3(=O)=O)C[C@H]2C1	REAL300005313882	0	53	0.0	-79.50	383.32	5.59	-73.91
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(C)CCCN4S3(=O)=O)C[C@H]2C1	REAL300005313882	1	53	0.0	-62.48	397.22	4.57	-57.91
CN1N=CC(C(F)F)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313883	0	44	0.0	-73.24	348.69	6.72	-66.52
CN1N=CC(C(F)F)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313883	1	44	0.0	-64.20	346.56	6.84	-57.36
CC1=NN(C2CCC2)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313884	0	51	0.0	-70.54	378.53	8.59	-61.95
CC1=NN(C2CCC2)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313884	1	51	0.0	-70.97	376.59	8.58	-62.39
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313885	0	52	0.0	-61.43	409.97	10.32	-51.11
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313885	1	52	0.0	-65.42	409.57	10.27	-55.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCCCC3(C)C)C[C@H]2C1	REAL300005313886	0	54	0.0	-78.53	379.16	8.77	-69.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3OCCCC3(C)C)C[C@H]2C1	REAL300005313886	1	54	0.0	-64.99	380.30	8.77	-56.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Cl)C=C3F)C[C@H]2C1	REAL300005313887	0	45	0.0	-70.38	366.90	10.14	-60.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=C(Cl)C=C3F)C[C@H]2C1	REAL300005313887	1	45	0.0	-67.27	369.05	10.07	-57.20
CC1=NN(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005313888	0	42	0.0	-73.96	328.08	5.11	-68.85
CC1=NN(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005313888	1	42	0.0	-74.61	327.95	4.99	-69.62
COC1=CC2=CC=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005313889	0	54	0.0	-68.85	413.34	10.67	-58.18
COC1=CC2=CC=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005313889	1	54	0.0	-68.88	409.68	10.75	-58.13
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313890	0	47	0.0	-58.55	382.39	7.25	-51.30
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313890	1	47	0.0	-65.26	383.45	7.30	-57.96
COC1=NC=C(Cl)C(C)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313891	0	47	0.0	-62.26	377.58	6.03	-56.23
COC1=NC=C(Cl)C(C)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313891	1	47	0.0	-60.44	373.47	6.04	-54.40
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313892	0	51	0.0	-67.66	405.46	7.72	-59.94
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313892	1	51	0.0	-89.80	401.55	7.99	-81.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C)(CC3)CO4)C[C@H]2C1	REAL300005313893	0	52	0.0	-59.85	366.74	7.97	-51.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C)(CC3)CO4)C[C@H]2C1	REAL300005313893	1	52	0.0	-62.92	365.99	7.90	-55.02
CCCCOC1=CC=C(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313894	0	58	0.0	-66.99	438.93	11.40	-55.59
CCCCOC1=CC=C(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313894	1	58	0.0	-65.75	441.09	11.32	-54.43
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=COC4=C3)C[C@H]2C1	REAL300005313895	0	44	0.0	-52.40	332.88	8.25	-44.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4C=COC4=C3)C[C@H]2C1	REAL300005313895	1	44	0.0	-66.75	338.82	8.28	-58.47
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=NC=C3Cl)C[C@H]2C1	REAL300005313896	0	47	0.0	-79.41	373.29	9.02	-70.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=NC=C3Cl)C[C@H]2C1	REAL300005313896	1	47	0.0	-71.38	375.23	8.99	-62.39
CC1=C(C)NC(=O)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313897	0	47	0.0	-66.29	357.74	6.42	-59.87
CC1=C(C)NC(=O)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313897	1	47	0.0	-71.29	361.35	6.27	-65.02
CCN1N=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005313898	0	47	0.0	-63.65	354.84	7.68	-55.97
CCN1N=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1C	REAL300005313898	1	47	0.0	-60.85	355.72	7.70	-53.15
CCCN1C=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313899	0	48	0.0	-64.75	352.96	9.07	-55.68
CCCN1C=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313899	1	48	0.0	-63.28	353.54	9.28	-54.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN(C(C)(C)C)N=C3)C[C@H]2C1	REAL300005313900	0	53	0.0	-70.31	400.65	8.93	-61.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN(C(C)(C)C)N=C3)C[C@H]2C1	REAL300005313900	1	53	0.0	-71.68	396.83	8.95	-62.73
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300005313901	0	50	0.0	-68.95	386.03	10.44	-58.51
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300005313901	1	50	0.0	-64.58	385.41	10.40	-54.18
CC1=CC=C(C2(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)C(F)=C1	REAL300005313902	0	51	0.0	-79.99	391.19	10.80	-69.19
CC1=CC=C(C2(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2)C(F)=C1	REAL300005313902	1	51	0.0	-75.32	391.18	10.80	-64.52
CCCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1CC	REAL300005313903	0	52	0.0	-56.93	390.39	7.73	-49.20
CCCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=NN1CC	REAL300005313903	1	52	0.0	-63.62	387.36	7.59	-56.03
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4CC4C3)C[C@H]2C1	REAL300005313904	0	48	0.0	-63.05	350.55	9.84	-53.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4CC4C3)C[C@H]2C1	REAL300005313904	1	48	0.0	-67.83	346.17	9.22	-58.61
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=NNC=N2)=N1	REAL300005313905	0	49	0.0	-57.78	387.20	7.47	-50.31
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(C2=NNC=N2)=N1	REAL300005313905	1	49	0.0	-74.70	389.40	7.35	-67.35
CC1=NNC2=C1CC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)CC2	REAL300005313906	0	51	0.0	-68.94	377.49	7.60	-61.34
CC1=NNC2=C1CC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)CC2	REAL300005313906	1	51	0.0	-66.13	376.78	7.59	-58.54
CC1=C2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=NN1	REAL300005313906	1	51	0.0	-68.94	377.49	7.60	-61.34
CC1=C2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=NN1	REAL300005313906	1	51	0.0	-66.13	376.78	7.59	-58.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC(C5CC5)=NC4=C3)C[C@H]2C1	REAL300005313907	0	51	0.0	-59.76	384.78	8.94	-50.82
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4NC(C5CC5)=NC4=C3)C[C@H]2C1	REAL300005313907	1	51	0.0	-84.00	385.95	9.02	-74.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OC3=C(F)C=CC=C3F)C[C@H]2C1	REAL300005313908	0	51	0.0	-56.11	379.07	9.66	-46.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)OC3=C(F)C=CC=C3F)C[C@H]2C1	REAL300005313908	1	51	0.0	-65.49	378.83	9.58	-55.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(S(N)(=O)=O)=CO3)C[C@H]2C1	REAL300005313909	0	43	0.0	-71.59	348.78	1.27	-70.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(S(N)(=O)=O)=CO3)C[C@H]2C1	REAL300005313909	1	43	0.0	-71.91	351.17	1.19	-70.72
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313910	0	50	0.0	-66.30	393.94	10.58	-55.72
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313910	1	50	0.0	-64.76	391.57	10.52	-54.24
CSC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005313911	0	47	0.0	-65.80	372.92	9.50	-56.30
CSC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005313911	1	47	0.0	-74.02	372.00	9.53	-64.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4N=NC=C4C=C3)C[C@H]2C1	REAL300005313912	0	43	0.0	-66.11	339.66	6.78	-59.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4N=NC=C4C=C3)C[C@H]2C1	REAL300005313912	1	43	0.0	-74.49	339.65	6.66	-67.83
C[C@@H]1CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NN=C2[C@H](C)O1	REAL300005313913	0	52	0.0	-59.33	387.83	6.49	-52.84
C[C@@H]1CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NN=C2[C@H](C)O1	REAL300005313913	1	52	0.0	-67.83	388.13	6.37	-61.46
C[C@@H]1CC2=C(NN=C2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)[C@H](C)O1	REAL300005313913	1	52	0.0	-59.33	387.83	6.49	-52.84
C[C@@H]1CC2=C(NN=C2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)[C@H](C)O1	REAL300005313913	1	52	0.0	-67.83	388.13	6.37	-61.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC3=CN=CN=C3)C[C@H]2C1	REAL300005313914	0	47	0.0	-76.67	361.71	6.05	-70.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCNC3=CN=CN=C3)C[C@H]2C1	REAL300005313914	1	47	0.0	-72.19	361.89	6.10	-66.09
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4(CCC4)C3)C[C@H]2C1	REAL300005313915	0	51	0.0	-62.75	375.16	10.03	-52.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4(CCC4)C3)C[C@H]2C1	REAL300005313915	1	51	0.0	-64.56	370.98	10.14	-54.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H](O)C3=CC=CC=C3)C[C@H]2C1	REAL300005313916	0	48	0.0	-68.57	363.99	7.64	-60.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C[C@@H](O)C3=CC=CC=C3)C[C@H]2C1	REAL300005313916	1	48	0.0	-68.91	366.15	7.56	-61.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(CF)=C3)C[C@H]2C1	REAL300005313917	0	40	0.0	-68.99	316.14	6.83	-62.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(CF)=C3)C[C@H]2C1	REAL300005313917	1	40	0.0	-66.74	314.18	6.58	-60.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC(F)(F)CC3)C[C@H]2C1	REAL300005313918	0	50	0.0	-67.26	360.30	9.02	-58.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC(F)(F)CC3)C[C@H]2C1	REAL300005313918	1	50	0.0	-73.94	356.20	8.82	-65.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CC=NN4C3)C[C@H]2C1	REAL300005313919	0	48	0.0	-62.47	353.81	7.41	-55.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=CC=NN4C3)C[C@H]2C1	REAL300005313919	1	48	0.0	-62.16	357.31	7.58	-54.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=NSC4=CC=C3)C[C@H]2C1	REAL300005313920	0	43	0.0	-70.37	339.30	8.06	-62.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=NSC4=CC=C3)C[C@H]2C1	REAL300005313920	1	43	0.0	-65.32	337.97	7.89	-57.43
CN1C=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313921	0	45	0.0	-71.13	349.49	6.82	-64.31
CN1C=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005313921	1	45	0.0	-70.41	351.51	6.74	-63.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC(C4CC4)=NC=C3Cl)C[C@H]2C1	REAL300005313922	0	46	0.0	-69.10	365.90	9.08	-60.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC(C4CC4)=NC=C3Cl)C[C@H]2C1	REAL300005313922	1	46	0.0	-65.55	363.66	8.83	-56.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C(C)(C)C)N=C3C(C)(C)C)C[C@H]2C1	REAL300005313923	0	62	0.0	-72.30	448.50	10.12	-62.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN(C(C)(C)C)N=C3C(C)(C)C)C[C@H]2C1	REAL300005313923	1	62	0.0	-72.78	440.65	10.20	-62.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C3)OC4)C[C@H]2C1	REAL300005313924	0	46	0.0	-57.21	327.64	6.28	-50.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C3)OC4)C[C@H]2C1	REAL300005313924	1	46	0.0	-65.69	329.35	6.10	-59.59
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2C=N1	REAL300005313925	0	49	0.0	-73.38	376.24	9.15	-64.23
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2C=N1	REAL300005313925	1	49	0.0	-71.69	377.32	9.10	-62.59
CN1N=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C(C3CC3)N=C21	REAL300005313926	0	53	0.0	-81.10	403.55	9.15	-71.95
CN1N=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C(C3CC3)N=C21	REAL300005313926	1	53	0.0	-63.05	405.37	9.13	-53.92
CCC1=NOC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313927	0	43	0.0	-66.94	330.85	7.02	-59.92
CCC1=NOC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313927	1	43	0.0	-64.88	331.36	7.06	-57.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C(F)(F)F)(CC3)C4)C[C@H]2C1	REAL300005313928	0	51	0.0	-64.35	379.42	9.47	-54.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C(F)(F)F)(CC3)C4)C[C@H]2C1	REAL300005313928	1	51	0.0	-72.15	377.68	9.44	-62.71
CC(C)[C@@H]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313929	0	53	0.0	-72.82	370.62	9.44	-63.38
CC(C)[C@@H]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313929	1	53	0.0	-63.22	367.90	9.57	-53.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=NC=C3)C[C@H]2C1	REAL300005313930	0	44	0.0	-67.45	339.72	7.83	-59.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CC=NC=C3)C[C@H]2C1	REAL300005313930	1	44	0.0	-66.05	341.87	7.76	-58.29
CC=CC1=CC=C(OCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1	REAL300005313931	0	56	0.0	-68.68	429.42	10.74	-57.94
CC=CC1=CC=C(OCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(OC)=C1	REAL300005313931	1	56	0.0	-72.34	428.65	10.67	-61.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(OC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005313932	0	58	0.0	-64.20	425.49	10.96	-53.24
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(OC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300005313932	1	58	0.0	-72.14	412.23	10.68	-61.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CN=C4C3)C[C@H]2C1	REAL300005313933	0	47	0.0	-58.50	351.45	8.23	-50.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CC=CN=C4C3)C[C@H]2C1	REAL300005313933	1	47	0.0	-67.29	352.15	8.16	-59.13
CC1=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C2C(F)=C1	REAL300005313934	0	49	0.0	-70.74	375.30	9.41	-61.33
CC1=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C2C(F)=C1	REAL300005313934	1	49	0.0	-82.41	377.11	9.11	-73.30
CN1C=C(C2=NC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CO2)C=N1	REAL300005313935	0	47	0.0	-58.63	373.75	5.19	-53.44
CN1C=C(C2=NC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CO2)C=N1	REAL300005313935	1	47	0.0	-69.78	372.99	5.26	-64.52
COC1=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C(C)C=C1	REAL300005313936	0	52	0.0	-66.54	392.97	8.42	-58.12
COC1=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NC2=C(C)C=C1	REAL300005313936	1	52	0.0	-62.38	392.70	8.36	-54.02
COC1=NC2=CC=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005313937	0	50	0.0	-82.60	383.26	6.86	-75.74
COC1=NC2=CC=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=C2C=C1	REAL300005313937	1	50	0.0	-79.57	381.69	6.90	-72.67
CCCCOC1=CC=C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313938	0	57	0.0	-74.79	431.15	10.88	-63.91
CCCCOC1=CC=C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005313938	1	57	0.0	-71.10	431.35	10.92	-60.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(C)(C)C)=CC=N3)C[C@H]2C1	REAL300005313939	0	52	0.0	-62.12	381.73	9.42	-52.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C(C)(C)C)=CC=N3)C[C@H]2C1	REAL300005313939	1	52	0.0	-68.89	382.82	9.46	-59.43
CC1=CN2C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C2S1	REAL300005313940	0	44	0.0	-61.00	345.95	8.69	-52.31
CC1=CN2C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C2S1	REAL300005313940	1	44	0.0	-73.74	346.33	8.34	-65.40
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOC1	REAL300005313941	0	48	0.0	-73.42	344.50	6.37	-67.05
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1CCOC1	REAL300005313941	1	48	0.0	-65.15	350.29	6.42	-58.73
CCCC(CCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313942	0	59	0.0	-64.73	431.03	12.16	-52.57
CCCC(CCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313942	1	59	0.0	-68.48	437.66	12.41	-56.07
CCC(C)(C)C1CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005313943	0	62	0.0	-60.82	412.27	10.70	-50.12
CCC(C)(C)C1CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005313943	1	62	0.0	-66.13	408.92	10.76	-55.37
COC1CC2(C1)CCC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)CC2	REAL300005313944	0	58	0.0	-48.05	416.56	9.11	-38.94
COC1CC2(C1)CCC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)CC2	REAL300005313944	1	58	0.0	-64.95	416.67	9.05	-55.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4COCC43)C[C@H]2C1	REAL300005313945	0	47	0.0	-70.57	338.48	4.87	-65.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3COC4COCC43)C[C@H]2C1	REAL300005313945	1	47	0.0	-61.67	340.00	4.55	-57.12
CC1=CC2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C2C=C1	REAL300005313946	0	49	0.0	-65.94	369.08	9.32	-56.62
CC1=CC2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN=C2C=C1	REAL300005313946	1	49	0.0	-78.20	370.89	9.02	-69.18
CCC(CCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313947	0	56	0.0	-68.17	407.62	11.51	-56.66
CCC(CCC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313947	1	56	0.0	-67.99	407.71	11.31	-56.68
CN1C=C(C2=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=NO2)N=N1	REAL300005313948	0	46	0.0	-77.28	366.26	6.20	-71.08
CN1C=C(C2=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=NO2)N=N1	REAL300005313948	1	46	0.0	-74.51	366.77	6.20	-68.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C4CCOCC4=C3)C[C@H]2C1	REAL300005313949	0	55	0.0	-63.24	412.15	10.36	-52.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=CC=C4CCOCC4=C3)C[C@H]2C1	REAL300005313949	1	55	0.0	-67.82	413.24	9.91	-57.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCC(F)(F)CC4)C[C@H]2C1	REAL300005313950	0	51	0.0	-65.77	375.01	10.15	-55.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CCC(F)(F)CC4)C[C@H]2C1	REAL300005313950	1	51	0.0	-64.76	378.42	9.91	-54.85
CC1=CC=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313951	0	43	0.0	-62.26	326.42	7.75	-54.51
CC1=CC=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313951	1	43	0.0	-67.45	328.51	7.66	-59.79
CN(C)C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005313952	0	51	0.0	-65.72	387.55	9.20	-56.52
CN(C)C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005313952	1	51	0.0	-67.99	387.74	9.07	-58.92
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005313953	0	50	0.0	-71.50	397.06	6.59	-64.91
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005313953	1	50	0.0	-65.00	394.26	6.40	-58.60
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)NC(C2=CC=CO2)=N1	REAL300005313953	1	50	0.0	-71.50	397.06	6.59	-64.91
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(=O)NC(C2=CC=CO2)=N1	REAL300005313953	1	50	0.0	-65.00	394.26	6.40	-58.60
CC1CCOC1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313954	0	48	0.0	-62.49	350.44	7.37	-55.12
CC1CCOC1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313954	1	48	0.0	-73.99	349.74	7.43	-66.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C(C)(C)C)=C3)C[C@H]2C1	REAL300005313955	0	52	0.0	-64.56	378.62	8.47	-56.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(C(C)(C)C)=C3)C[C@H]2C1	REAL300005313955	1	52	0.0	-74.53	379.70	8.51	-66.02
COC1CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1(C)C	REAL300005313956	0	54	0.0	-75.81	393.08	8.28	-67.53
COC1CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1(C)C	REAL300005313956	1	54	0.0	-68.81	394.36	8.24	-60.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=C(C#N)C=C4)OC=N3)C[C@H]2C1	REAL300005313957	0	48	0.0	-63.10	384.32	7.83	-55.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4=CC=C(C#N)C=C4)OC=N3)C[C@H]2C1	REAL300005313957	1	48	0.0	-66.07	383.32	8.07	-58.00
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4N=CC=C(C(C)(C)C)N4N=C3)C[C@H]2C1	REAL300005313958	0	55	0.0	-68.03	404.36	9.76	-58.27
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4N=CC=C(C(C)(C)C)N4N=C3)C[C@H]2C1	REAL300005313958	1	55	0.0	-77.57	406.32	9.35	-68.22
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005313959	0	44	0.0	-64.12	333.03	6.81	-57.31
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005313959	1	44	0.0	-70.34	335.36	6.71	-63.63
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CC4(F)F)C3)C[C@H]2C1	REAL300005313960	0	48	0.0	-80.00	359.94	9.31	-70.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CC4(F)F)C3)C[C@H]2C1	REAL300005313960	1	48	0.0	-70.57	361.38	9.20	-61.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4C3C4(F)F)C[C@H]2C1	REAL300005313961	0	48	0.0	-61.04	353.38	9.19	-51.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4C3C4(F)F)C[C@H]2C1	REAL300005313961	1	48	0.0	-68.77	349.26	8.98	-59.79
C=C1CC2(C1)CC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)C2	REAL300005313962	0	49	0.0	-61.86	367.11	9.74	-52.12
C=C1CC2(C1)CC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)C2	REAL300005313962	1	49	0.0	-65.60	366.20	9.68	-55.92
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313963	0	52	0.0	-70.80	389.54	10.18	-60.62
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313963	1	52	0.0	-74.27	388.69	10.10	-64.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CCCC[C@H]3C(C)(C)C)C[C@H]2C1	REAL300005313964	0	59	0.0	-61.32	385.26	10.52	-50.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CCCC[C@H]3C(C)(C)C)C[C@H]2C1	REAL300005313964	1	59	0.0	-63.67	386.02	10.49	-53.18
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)F)=NN1C	REAL300005313965	0	47	0.0	-76.10	369.07	7.20	-68.90
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)F)=NN1C	REAL300005313965	1	47	0.0	-70.13	371.71	7.32	-62.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CCCC4)=NN3)C[C@H]2C1	REAL300005313966	0	51	0.0	-51.31	372.72	7.94	-43.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CCCC4)=NN3)C[C@H]2C1	REAL300005313966	1	51	0.0	-69.41	373.99	8.00	-61.41
COC1=CC=CC=C1OC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313967	0	52	0.0	-71.33	388.14	9.47	-61.86
COC1=CC=CC=C1OC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313967	1	52	0.0	-77.58	385.16	8.97	-68.61
CC1=C(Cl)C=NN1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313968	0	44	0.0	-75.30	354.95	7.42	-67.88
CC1=C(Cl)C=NN1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313968	1	44	0.0	-65.01	351.65	7.50	-57.51
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N2C=C(C)SC2=N1	REAL300005313969	0	50	0.0	-68.99	398.28	9.95	-59.04
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N2C=C(C)SC2=N1	REAL300005313969	1	50	0.0	-73.16	398.34	10.01	-63.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C4CCCO4)O3)C[C@H]2C1	REAL300005313970	0	53	0.0	-70.82	387.82	7.66	-63.16
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C4CCCO4)O3)C[C@H]2C1	REAL300005313970	1	53	0.0	-69.77	387.17	7.59	-62.18
CN1N=NC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005313971	0	46	0.0	-73.74	354.93	6.63	-67.11
CN1N=NC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005313971	1	46	0.0	-93.65	351.69	6.44	-87.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4OCCCC4=C3)C[C@H]2C1	REAL300005313972	0	48	0.0	-55.66	359.10	5.43	-50.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4OCCCC4=C3)C[C@H]2C1	REAL300005313972	1	48	0.0	-79.72	357.05	5.55	-74.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=NC=C4)=NO3)C[C@H]2C1	REAL300005313973	0	46	0.0	-56.39	364.07	7.53	-48.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=NC=C4)=NO3)C[C@H]2C1	REAL300005313973	1	46	0.0	-65.98	363.13	7.53	-58.45
CC1=CC2=C(C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)S1	REAL300005313974	0	44	0.0	-63.94	358.00	9.21	-54.73
CC1=CC2=C(C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)S2)S1	REAL300005313974	1	44	0.0	-67.67	355.10	9.19	-58.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC34CCC(CC3)C4)C[C@H]2C1	REAL300005313975	0	51	0.0	-64.07	362.47	9.70	-54.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC34CCC(CC3)C4)C[C@H]2C1	REAL300005313975	1	51	0.0	-64.52	357.81	9.76	-54.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005313976	0	49	0.0	-49.74	367.48	10.46	-39.28
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC=CC4=CC=CC=C43)C[C@H]2C1	REAL300005313976	1	49	0.0	-68.03	368.40	10.33	-57.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CS3)C[C@H]2C1	REAL300005313977	0	38	0.0	-74.31	315.85	7.42	-66.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(Cl)=CS3)C[C@H]2C1	REAL300005313977	1	38	0.0	-67.24	313.05	7.42	-59.82
CCCOCCCC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313978	0	50	0.0	-65.86	375.54	8.09	-57.77
CCCOCCCC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313978	1	50	0.0	-71.61	375.49	7.73	-63.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4C=NN=C4C=N3)C[C@H]2C1	REAL300005313979	0	42	0.0	-60.95	327.43	8.38	-52.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN4C=NN=C4C=N3)C[C@H]2C1	REAL300005313979	1	42	0.0	-67.19	327.85	8.25	-58.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3CS(N)(=O)=O)C[C@H]2C1	REAL300005313980	0	52	0.0	-69.00	408.49	4.64	-64.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC=C3CS(N)(=O)=O)C[C@H]2C1	REAL300005313980	1	52	0.0	-77.80	405.48	4.54	-73.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NC=CC=C34)C[C@H]2C1	REAL300005313981	0	46	0.0	-59.79	348.65	8.72	-51.07
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=NC=CC=C34)C[C@H]2C1	REAL300005313981	1	46	0.0	-77.29	347.95	8.38	-68.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4SC=CC4=CN=C3)C[C@H]2C1	REAL300005313982	0	43	0.0	-64.17	342.56	7.62	-56.55
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4SC=CC4=CN=C3)C[C@H]2C1	REAL300005313982	1	43	0.0	-65.43	342.96	7.50	-57.93
CC(C)C(C)C(C)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313983	0	55	0.0	-64.35	381.24	9.62	-54.73
CC(C)C(C)C(C)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313983	1	55	0.0	-66.79	379.56	9.44	-57.35
COC1CC2(C1)CC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)C2	REAL300005313984	0	52	0.0	-72.68	385.37	8.15	-64.53
COC1CC2(C1)CC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)C2	REAL300005313984	1	52	0.0	-69.08	385.63	8.21	-60.87
CC1=CC2=C(OCC2)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313985	0	49	0.0	-58.84	365.86	8.70	-50.14
CC1=CC2=C(OCC2)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005313985	1	49	0.0	-81.51	367.42	8.67	-72.84
CC(C)OCC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313986	0	57	0.0	-68.46	427.18	10.60	-57.86
CC(C)OCC1=CC=CC=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005313986	1	57	0.0	-71.15	427.04	10.46	-60.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)OC3)C[C@H]2C1	REAL300005313987	0	51	0.0	-51.04	362.86	7.28	-43.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(C)(C)OC3)C[C@H]2C1	REAL300005313987	1	51	0.0	-61.42	365.17	7.25	-54.17
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCC34CCC4)C[C@H]2C1	REAL300005313988	0	54	0.0	-63.92	370.19	10.06	-53.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCCC34CCC4)C[C@H]2C1	REAL300005313988	1	54	0.0	-64.03	363.42	10.15	-53.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34COC(C)(C3)CCC4)C[C@H]2C1	REAL300005313989	0	52	0.0	-65.61	359.19	7.23	-58.38
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34COC(C)(C3)CCC4)C[C@H]2C1	REAL300005313989	1	52	0.0	-69.23	360.72	7.19	-62.04
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=C(Cl)C=CC=C3Cl)C[C@H]2C1	REAL300005313990	0	48	0.0	-73.20	392.35	11.16	-62.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=C(Cl)C=CC=C3Cl)C[C@H]2C1	REAL300005313990	1	48	0.0	-65.43	390.75	11.31	-54.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCC[C@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005313991	0	57	0.0	-74.61	408.08	11.67	-62.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3CCCC[C@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005313991	1	57	0.0	-63.30	415.84	11.78	-51.52
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C=NN3C3CCCC3)C[C@H]2C1	REAL300005313992	0	51	0.0	-48.04	402.35	9.38	-38.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(Cl)C=NN3C3CCCC3)C[C@H]2C1	REAL300005313992	1	51	0.0	-57.51	401.79	9.33	-48.18
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)C=CO3)C[C@H]2C1	REAL300005313993	0	45	0.0	-60.14	341.97	8.57	-51.57
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(C4CC4)C=CO3)C[C@H]2C1	REAL300005313993	1	45	0.0	-62.88	337.49	8.65	-54.23
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=N4)=NN3)C[C@H]2C1	REAL300005313994	0	47	0.0	-69.16	365.73	6.73	-62.43
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4=CC=CC=N4)=NN3)C[C@H]2C1	REAL300005313994	1	47	0.0	-70.00	366.37	6.65	-63.35
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=N4)S3)C[C@H]2C1	REAL300005313995	0	47	0.0	-67.05	374.60	8.95	-58.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC=N4)S3)C[C@H]2C1	REAL300005313995	1	47	0.0	-69.50	374.81	9.01	-60.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C)CCCO3)C[C@H]2C1	REAL300005313996	0	48	0.0	-63.43	345.42	7.83	-55.60
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3(C)CCCO3)C[C@H]2C1	REAL300005313996	1	48	0.0	-73.24	346.79	7.75	-65.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C(C)(C)C3(F)F)C[C@H]2C1	REAL300005313997	0	44	0.0	-74.84	333.45	8.12	-66.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C(C)(C)C3(F)F)C[C@H]2C1	REAL300005313997	1	44	0.0	-61.21	334.60	8.04	-53.17
CN(C)C1=CC=C2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC2=C1	REAL300005313998	0	55	0.0	-68.72	409.85	10.71	-58.01
CN(C)C1=CC=C2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC2=C1	REAL300005313998	1	55	0.0	-78.39	405.90	10.66	-67.73
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C(F)(F)C34CCC4)C[C@H]2C1	REAL300005313999	0	45	0.0	-56.80	345.29	9.29	-47.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C(F)(F)C34CCC4)C[C@H]2C1	REAL300005313999	1	45	0.0	-67.25	341.13	8.97	-58.28
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(S(N)(=O)=O)=C1	REAL300005314000	0	46	0.0	-63.61	366.88	2.05	-61.56
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)OC(S(N)(=O)=O)=C1	REAL300005314000	1	46	0.0	-64.49	366.80	2.07	-62.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CC4(F)F)C=C3)C[C@H]2C1	REAL300005314001	0	48	0.0	-71.16	370.79	10.22	-60.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4CC4(F)F)C=C3)C[C@H]2C1	REAL300005314001	1	48	0.0	-62.09	370.00	10.17	-51.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CC4(F)F)CC3)C[C@H]2C1	REAL300005314002	0	51	0.0	-77.38	371.85	9.65	-67.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CC4(F)F)CC3)C[C@H]2C1	REAL300005314002	1	51	0.0	-65.08	368.98	9.82	-55.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CC4(F)F)C3)C[C@H]2C1	REAL300005314003	0	45	0.0	-76.15	349.09	8.90	-67.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CC4(F)F)C3)C[C@H]2C1	REAL300005314003	1	45	0.0	-69.25	347.19	8.79	-60.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCOCC4)CC3(F)F)C[C@H]2C1	REAL300005314004	0	52	0.0	-81.88	379.08	7.96	-73.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCOCC4)CC3(F)F)C[C@H]2C1	REAL300005314004	1	52	0.0	-59.78	382.51	7.97	-51.81
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCC4)CC3(F)F)C[C@H]2C1	REAL300005314005	0	48	0.0	-64.33	358.92	8.98	-55.35
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCC4)CC3(F)F)C[C@H]2C1	REAL300005314005	1	48	0.0	-72.86	352.87	9.04	-63.82
CC1=NNC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314006	0	47	0.0	-72.04	360.03	6.80	-65.24
CC1=NNC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314006	1	47	0.0	-67.24	361.35	6.75	-60.49
CC1=CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005314006	1	47	0.0	-72.02	359.97	6.81	-65.21
CC1=CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1	REAL300005314006	1	47	0.0	-69.08	360.17	6.85	-62.23
CC(CN1C=CN=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314008	0	47	0.0	-65.24	354.23	8.78	-56.46
CC(CN1C=CN=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314008	1	47	0.0	-64.19	355.81	8.97	-55.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CC[C@@H](NC4=CC=CC=N4)CC3)C[C@H]2C1	REAL300005314009	0	58	0.0	-74.55	420.09	9.69	-64.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3CC[C@@H](NC4=CC=CC=N4)CC3)C[C@H]2C1	REAL300005314009	1	58	0.0	-74.68	417.91	9.54	-65.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NC4=CC=CC=C43)C[C@H]2C1	REAL300005314010	0	46	0.0	-87.59	359.93	7.12	-80.47
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CN3N=NC4=CC=CC=C43)C[C@H]2C1	REAL300005314010	1	46	0.0	-79.98	361.12	7.07	-72.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=CNC4=C3)C[C@H]2C1	REAL300005314011	0	44	0.0	-70.27	339.80	6.93	-63.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=CC=CNC4=C3)C[C@H]2C1	REAL300005314011	1	44	0.0	-83.55	336.67	6.70	-76.85
CN1C=NC2=C1CCCC2C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314012	0	51	0.0	-58.21	378.47	9.76	-48.45
CN1C=NC2=C1CCCC2C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314012	1	51	0.0	-81.47	379.63	9.68	-71.79
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN4N=NC=C34)C[C@H]2C1	REAL300005314013	0	43	0.0	-89.32	337.58	6.74	-82.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CN4N=NC=C34)C[C@H]2C1	REAL300005314013	1	43	0.0	-64.24	340.22	6.69	-57.55
COCC1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005314015	0	46	0.0	-57.87	350.27	6.03	-51.84
COCC1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N1	REAL300005314015	1	46	0.0	-70.95	350.45	5.97	-64.98
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C(C)C(C)C	REAL300005314016	0	56	0.0	-63.92	408.50	9.25	-54.67
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=NN1C(C)C(C)C	REAL300005314016	1	56	0.0	-67.24	407.74	9.09	-58.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4(CC4)C3)C[C@H]2C1	REAL300005314017	0	48	0.0	-73.68	357.09	9.53	-64.15
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4(CC4)C3)C[C@H]2C1	REAL300005314017	1	48	0.0	-62.51	356.87	9.51	-53.00
CCCSC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314018	0	51	0.0	-82.74	391.78	10.60	-72.14
CCCSC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314018	1	51	0.0	-69.75	391.56	10.67	-59.08
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=CN=C3)C[C@H]2C1	REAL300005314019	0	42	0.0	-69.02	327.72	7.08	-61.94
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=CN=C3)C[C@H]2C1	REAL300005314019	1	42	0.0	-71.13	327.95	7.04	-64.09
COC1=CC=C2C(=C1)CCCC2C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314020	0	55	0.0	-62.46	404.48	9.79	-52.67
COC1=CC=C2C(=C1)CCCC2C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314020	1	55	0.0	-68.76	404.25	9.71	-59.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC(Cl)=C4)C=N3)C[C@H]2C1	REAL300005314021	0	50	0.0	-58.31	397.66	11.01	-47.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(C4=CC=CC(Cl)=C4)C=N3)C[C@H]2C1	REAL300005314021	1	50	0.0	-67.20	394.55	10.81	-56.39
CCCCSC1=CC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314022	0	54	0.0	-82.72	413.28	11.38	-71.34
CCCCSC1=CC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314022	1	54	0.0	-69.67	413.06	11.45	-58.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005314023	0	45	0.0	-56.85	370.40	7.32	-49.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3=CC=C(Cl)C=C3Cl)C[C@H]2C1	REAL300005314023	1	45	0.0	-57.71	367.25	7.38	-50.33
CC1=NC=NC2=C1CC(C(=O)N1C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C1)CC2	REAL300005314024	0	52	0.0	-53.92	381.04	9.24	-44.68
CC1=NC=NC2=C1CC(C(=O)N1C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C1)CC2	REAL300005314024	1	52	0.0	-64.71	382.70	9.13	-55.58
CCC(C)CC(C)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314025	0	52	0.0	-61.05	365.89	9.16	-51.89
CCC(C)CC(C)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314025	1	52	0.0	-64.72	367.80	8.96	-55.76
CC1=NN(C)C(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314026	0	47	0.0	-73.32	357.82	7.14	-66.18
CC1=NN(C)C(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314026	1	47	0.0	-71.37	361.06	7.10	-64.27
COC1=CC=CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005314027	0	47	0.0	-82.67	363.59	6.08	-76.59
COC1=CC=CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005314027	1	47	0.0	-77.30	364.63	6.02	-71.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC(C(F)(F)F)=CC=N3)C[C@H]2C1	REAL300005314028	0	52	0.0	-58.87	389.67	9.97	-48.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)C3=CC(C(F)(F)F)=CC=N3)C[C@H]2C1	REAL300005314028	1	52	0.0	-60.44	393.47	9.28	-51.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(OC(F)(F)F)CC3)C[C@H]2C1	REAL300005314029	0	51	0.0	-48.35	387.51	7.98	-40.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC(OC(F)(F)F)CC3)C[C@H]2C1	REAL300005314029	1	51	0.0	-64.73	386.84	7.90	-56.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(Cl)=C3)C[C@H]2C1	REAL300005314030	0	41	0.0	-73.11	344.58	8.61	-64.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CSC(Cl)=C3)C[C@H]2C1	REAL300005314030	1	41	0.0	-62.38	342.78	8.58	-53.80
CC(C)OC1=CC=C(F)C=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314031	0	51	0.0	-56.73	383.08	10.00	-46.73
CC(C)OC1=CC=C(F)C=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314031	1	51	0.0	-67.56	387.35	9.55	-58.01
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314032	0	50	0.0	-64.79	399.78	11.01	-53.78
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314032	1	50	0.0	-61.06	407.89	11.16	-49.90
CC(CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)CC(F)(F)F	REAL300005314033	0	46	0.0	-66.67	351.15	8.46	-58.21
CC(CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)CC(F)(F)F	REAL300005314033	1	46	0.0	-70.53	351.66	8.43	-62.10
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CC(C)(C)C4)C[C@H]2C1	REAL300005314034	0	51	0.0	-60.73	376.26	9.85	-50.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC34CC(C)(C)C4)C[C@H]2C1	REAL300005314034	1	51	0.0	-67.29	375.99	9.80	-57.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4(CCCC4)CC3)C[C@H]2C1	REAL300005314035	0	60	0.0	-72.71	414.39	11.45	-61.26
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCC4(CCCC4)CC3)C[C@H]2C1	REAL300005314035	1	60	0.0	-66.69	415.14	11.40	-55.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC34CCC4)C[C@H]2C1	REAL300005314036	0	51	0.0	-76.01	361.17	9.62	-66.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC34CCC4)C[C@H]2C1	REAL300005314036	1	51	0.0	-63.62	354.69	9.48	-54.14
CC1COC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005314037	0	49	0.0	-71.47	368.22	8.58	-62.89
CC1COC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005314037	1	49	0.0	-67.99	368.45	8.46	-59.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C4CCC4)C3)C[C@H]2C1	REAL300005314038	0	51	0.0	-64.17	373.86	10.07	-54.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(C4CCC4)C3)C[C@H]2C1	REAL300005314038	1	51	0.0	-67.72	373.15	9.96	-57.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCOCC4=C3)C[C@H]2C1	REAL300005314039	0	48	0.0	-66.99	357.37	6.15	-60.84
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4CCOCC4=C3)C[C@H]2C1	REAL300005314039	1	48	0.0	-77.09	357.24	6.29	-70.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3COCC4=CC=CC=C43)C[C@H]2C1	REAL300005314040	0	52	0.0	-62.57	383.78	8.96	-53.61
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3COCC4=CC=CC=C43)C[C@H]2C1	REAL300005314040	1	52	0.0	-67.22	383.13	8.90	-58.32
CC1=NN=C2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CN12	REAL300005314041	0	47	0.0	-72.82	351.87	8.36	-64.46
CC1=NN=C2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CN12	REAL300005314041	1	47	0.0	-71.38	352.36	8.24	-63.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCCC3(F)F)C[C@H]2C1	REAL300005314042	0	53	0.0	-57.86	374.96	10.15	-47.71
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCCC3(F)F)C[C@H]2C1	REAL300005314042	1	53	0.0	-69.74	374.99	9.69	-60.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(=O)C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005314043	0	53	0.0	-73.36	405.44	11.19	-62.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C(=O)C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005314043	1	53	0.0	-68.10	404.58	11.26	-56.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC34CC(C)(C3)OC4)C[C@H]2C1	REAL300005314044	0	49	0.0	-78.95	357.96	7.22	-71.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC34CC(C)(C3)OC4)C[C@H]2C1	REAL300005314044	1	49	0.0	-67.49	360.41	7.25	-60.24
CC1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCS1(=O)=O	REAL300005314045	0	50	0.0	-77.68	371.70	5.07	-72.61
CC1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCS1(=O)=O	REAL300005314045	1	50	0.0	-78.04	374.90	5.06	-72.98
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]4CCCCC[C@H]34)C[C@H]2C1	REAL300005314046	0	54	0.0	-61.68	373.45	10.00	-51.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]4CCCCC[C@H]34)C[C@H]2C1	REAL300005314046	1	54	0.0	-69.72	374.10	10.01	-59.71
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@]34CCCC3=CC=CC=C34)C[C@H]2C1	REAL300005314047	0	55	0.0	-73.21	399.15	11.90	-61.31
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@]34CCCC3=CC=CC=C34)C[C@H]2C1	REAL300005314047	1	55	0.0	-65.44	401.14	11.88	-53.56
CCC1=CN2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=N1	REAL300005314048	0	54	0.0	-55.38	399.65	9.74	-45.64
CCC1=CN2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=N1	REAL300005314048	1	54	0.0	-66.61	399.92	9.77	-56.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC34CCC(CC3)C4)C[C@H]2C1	REAL300005314049	0	54	0.0	-64.91	384.48	10.41	-54.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC34CCC(CC3)C4)C[C@H]2C1	REAL300005314049	1	54	0.0	-64.01	383.14	10.44	-53.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005314050	0	54	0.0	-70.77	412.13	12.45	-58.32
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CC4=CC=CC=C4)C=C3)C[C@H]2C1	REAL300005314050	1	54	0.0	-62.01	412.25	12.36	-49.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(N4C=CN=C4)=N3)C[C@H]2C1	REAL300005314051	0	46	0.0	-59.82	357.19	8.68	-51.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(N4C=CN=C4)=N3)C[C@H]2C1	REAL300005314051	1	46	0.0	-58.77	357.98	8.71	-50.06
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC4=C3OC(C)(C)C4)C[C@H]2C1	REAL300005314052	0	55	0.0	-61.34	415.76	10.29	-51.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC4=C3OC(C)(C)C4)C[C@H]2C1	REAL300005314052	1	55	0.0	-66.16	415.16	10.25	-55.91
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005314053	0	53	0.0	-76.89	416.61	10.53	-66.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCCOC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005314053	1	53	0.0	-79.20	416.56	10.18	-69.02
COC1=CN=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314054	0	43	0.0	-58.50	329.76	4.96	-53.54
COC1=CN=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314054	1	43	0.0	-66.09	331.87	4.87	-61.22
CC1CCC(OCCCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314055	0	60	0.0	-75.53	436.54	10.17	-65.36
CC1CCC(OCCCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314055	1	60	0.0	-71.37	436.73	10.22	-61.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)C3CCOC3)C[C@H]2C1	REAL300005314056	0	45	0.0	-58.92	335.90	6.13	-52.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(F)C3CCOC3)C[C@H]2C1	REAL300005314056	1	45	0.0	-67.66	329.96	6.17	-61.49
CCC1(C)CCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005314057	0	51	0.0	-78.19	367.48	8.60	-69.59
CCC1(C)CCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)O1	REAL300005314057	1	51	0.0	-73.04	368.40	8.48	-64.56
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SN=CC4=C3)C[C@H]2C1	REAL300005314058	0	43	0.0	-65.62	338.60	8.08	-57.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C4SN=CC4=C3)C[C@H]2C1	REAL300005314058	1	43	0.0	-74.86	339.92	8.16	-66.70
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN([C@@H]4COC[C@@H]4F)N=N3)C[C@H]2C1	REAL300005314059	0	48	0.0	-54.66	370.55	5.25	-49.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN([C@@H]4COC[C@@H]4F)N=N3)C[C@H]2C1	REAL300005314059	1	48	0.0	-66.11	367.18	5.36	-60.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CCC4)CO3)C[C@H]2C1	REAL300005314060	0	49	0.0	-79.33	357.56	8.33	-71.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CCC4)CO3)C[C@H]2C1	REAL300005314060	1	49	0.0	-72.47	357.45	8.23	-64.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=NC=CN4C=C3)C[C@H]2C1	REAL300005314061	0	43	0.0	-58.33	331.53	10.00	-48.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC4=NC=CN4C=C3)C[C@H]2C1	REAL300005314061	1	43	0.0	-66.29	333.46	9.98	-56.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCC3(F)F)C[C@H]2C1	REAL300005314062	0	50	0.0	-57.66	366.90	9.78	-47.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCCC3(F)F)C[C@H]2C1	REAL300005314062	1	50	0.0	-61.99	367.94	9.36	-52.63
CN1N=CC=C1C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005314063	0	51	0.0	-72.40	385.15	8.97	-63.43
CN1N=CC=C1C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005314063	1	51	0.0	-55.54	381.09	8.87	-46.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CC(F)C4)C3)C[C@H]2C1	REAL300005314064	0	48	0.0	-74.66	358.50	9.30	-65.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4(CC(F)C4)C3)C[C@H]2C1	REAL300005314064	1	48	0.0	-62.94	355.60	9.37	-53.57
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C3)S(=O)(=O)CC4)C[C@H]2C1	REAL300005314065	0	51	0.0	-66.91	363.16	5.02	-61.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CCC(C3)S(=O)(=O)CC4)C[C@H]2C1	REAL300005314065	1	51	0.0	-72.43	363.32	4.89	-67.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=NC=CC=C43)C[C@H]2C1	REAL300005314066	0	50	0.0	-66.92	365.74	8.84	-58.08
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4=NC=CC=C43)C[C@H]2C1	REAL300005314066	1	50	0.0	-68.39	369.42	8.62	-59.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=C(F)C=CC=C3Cl)C[C@H]2C1	REAL300005314067	0	47	0.0	-73.33	377.56	10.32	-63.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=C(F)C=CC=C3Cl)C[C@H]2C1	REAL300005314067	1	47	0.0	-71.05	377.74	10.37	-60.68
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC(Cl)=CC=C21	REAL300005314068	0	48	0.0	-62.36	383.85	10.27	-52.09
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC(Cl)=CC=C21	REAL300005314068	1	48	0.0	-85.09	380.56	10.26	-74.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CCF)C=C3)C[C@H]2C1	REAL300005314069	0	47	0.0	-69.90	358.81	9.57	-60.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CCF)C=C3)C[C@H]2C1	REAL300005314069	1	47	0.0	-70.14	353.31	9.30	-60.84
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CSC=C4C3)C[C@H]2C1	REAL300005314070	0	45	0.0	-60.80	348.76	8.99	-51.81
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4=CSC=C4C3)C[C@H]2C1	REAL300005314070	1	45	0.0	-65.26	345.75	8.84	-56.42
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CN=NN4C=C3)C[C@H]2C1	REAL300005314071	0	43	0.0	-64.17	338.98	6.87	-57.30
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CN=NN4C=C3)C[C@H]2C1	REAL300005314071	1	43	0.0	-68.34	339.16	6.74	-61.60
CCC1=CC=CC(CC)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314072	0	56	0.0	-72.04	405.14	11.35	-60.69
CCC1=CC=CC(CC)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314072	1	56	0.0	-64.99	402.65	11.46	-53.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC(C)(C)CC3)C[C@H]2C1	REAL300005314073	0	56	0.0	-60.12	381.05	9.73	-50.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC(C)(C)CC3)C[C@H]2C1	REAL300005314073	1	56	0.0	-65.46	372.77	9.45	-56.01
CC(C)[C@H]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314074	0	56	0.0	-66.09	382.21	9.93	-56.16
CC(C)[C@H]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314074	1	56	0.0	-68.54	380.63	9.80	-58.74
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)F)C=C3)C[C@H]2C1	REAL300005314075	0	48	0.0	-76.95	373.61	8.56	-68.39
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(OCC(F)F)C=C3)C[C@H]2C1	REAL300005314075	1	48	0.0	-74.95	368.10	8.26	-66.69
CC1=CN2C=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC2=N1	REAL300005314076	0	47	0.0	-60.80	366.07	9.45	-51.35
CC1=CN2C=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC2=N1	REAL300005314076	1	47	0.0	-66.19	366.04	9.33	-56.86
CC1=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C=CNC2=N1	REAL300005314077	0	46	0.0	-63.07	351.16	7.87	-55.20
CC1=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C2C=CNC2=N1	REAL300005314077	1	46	0.0	-69.48	353.30	7.76	-61.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(OCC4CC4)=C3)C[C@H]2C1	REAL300005314078	0	55	0.0	-68.07	420.91	10.93	-57.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CC=CC(OCC4CC4)=C3)C[C@H]2C1	REAL300005314078	1	55	0.0	-65.67	417.26	11.01	-54.66
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005314079	0	49	0.0	-66.87	382.12	10.87	-56.00
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC=C4C([N+](=O)[O-])=C3)C[C@H]2C1	REAL300005314079	1	49	0.0	-63.72	382.65	10.75	-52.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC4(CCCCC4)C3)C[C@H]2C1	REAL300005314080	0	58	0.0	-48.06	404.51	9.29	-38.77
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCOC4(CCCCC4)C3)C[C@H]2C1	REAL300005314080	1	58	0.0	-67.36	399.92	9.03	-58.33
CC(C)N1C=C(C2CC2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005314081	0	54	0.0	-79.86	401.29	9.40	-70.46
CC(C)N1C=C(C2CC2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005314081	1	54	0.0	-69.04	402.48	9.36	-59.68
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3COC(C)(C)C3)C[C@H]2C1	REAL300005314082	0	51	0.0	-66.70	373.36	7.97	-58.73
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3COC(C)(C)C3)C[C@H]2C1	REAL300005314082	1	51	0.0	-69.83	374.19	7.57	-62.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4(CCC4)CO3)C[C@H]2C1	REAL300005314083	0	52	0.0	-67.05	380.57	9.25	-57.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CC4(CCC4)CO3)C[C@H]2C1	REAL300005314083	1	52	0.0	-70.23	382.95	8.94	-61.29
COC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(F)=C1F	REAL300005314084	0	45	0.0	-59.85	349.11	7.34	-52.51
COC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC(F)=C1F	REAL300005314084	1	45	0.0	-68.56	350.23	7.42	-61.14
COC1=CC2=CC=CN=C2C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314085	0	50	0.0	-69.25	381.01	7.98	-61.27
COC1=CC2=CC=CN=C2C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314085	1	50	0.0	-70.80	381.41	7.85	-62.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=NNC=C4)=C3)C[C@H]2C1	REAL300005314086	0	48	0.0	-74.36	366.05	7.94	-66.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(C4=NNC=C4)=C3)C[C@H]2C1	REAL300005314086	1	48	0.0	-85.81	367.26	8.05	-77.76
CC1=C2NN=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300005314087	0	47	0.0	-59.78	360.35	7.88	-51.90
CC1=C2NN=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300005314087	1	47	0.0	-69.68	357.22	7.65	-62.03
CC1=CC=CC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)NN=C21	REAL300005314087	1	47	0.0	-59.50	355.59	8.09	-51.41
CC1=CC=CC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)NN=C21	REAL300005314087	1	47	0.0	-72.49	356.01	7.74	-64.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CCOCC4)O3)C[C@H]2C1	REAL300005314088	0	53	0.0	-78.96	381.47	7.47	-71.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CCOCC4)O3)C[C@H]2C1	REAL300005314088	1	53	0.0	-73.95	382.63	7.36	-66.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CCC4)O3)C[C@H]2C1	REAL300005314089	0	49	0.0	-68.04	358.39	8.54	-59.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4(CCC4)O3)C[C@H]2C1	REAL300005314089	1	49	0.0	-74.14	357.77	8.45	-65.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=C(F)C(F)=C3)C3CC3)C[C@H]2C1	REAL300005314090	0	54	0.0	-65.68	414.00	11.88	-53.80
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=C(F)C(F)=C3)C3CC3)C[C@H]2C1	REAL300005314090	1	54	0.0	-62.56	415.10	11.73	-50.83
CC1CCCC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314091	0	53	0.0	-60.80	366.82	9.41	-51.39
CC1CCCC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314091	1	53	0.0	-64.73	363.84	9.54	-55.19
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300005314092	0	53	0.0	-47.32	395.68	11.63	-35.69
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300005314092	1	53	0.0	-67.99	388.49	11.53	-56.46
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300005314093	0	47	0.0	-54.04	365.01	10.18	-43.86
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300005314093	1	47	0.0	-68.80	362.95	9.75	-59.05
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CC4=CC=CC=N4)=C3)C[C@H]2C1	REAL300005314094	0	53	0.0	-83.54	406.51	10.64	-72.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC(CC4=CC=CC=N4)=C3)C[C@H]2C1	REAL300005314094	1	53	0.0	-72.96	404.69	10.47	-62.49
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C(C)(F)F)C[C@H]2C1	REAL300005314095	0	44	0.0	-59.98	341.87	8.36	-51.62
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C(C)(F)F)C[C@H]2C1	REAL300005314095	1	44	0.0	-68.32	341.55	8.30	-60.02
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C(F)C=C(Cl)C=C34)C[C@H]2C1	REAL300005314096	0	44	0.0	-64.93	358.29	9.34	-55.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC4=C(F)C=C(Cl)C=C34)C[C@H]2C1	REAL300005314096	1	44	0.0	-73.57	358.83	9.00	-64.57
CC(C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CC(C2CC2)=N1	REAL300005314097	0	51	0.0	-62.39	387.97	8.82	-53.57
CC(C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1)N1C=CC(C2CC2)=N1	REAL300005314097	1	51	0.0	-59.82	387.95	8.68	-51.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NCCC(C(C)(C)C)N4N=C3)C[C@H]2C1	REAL300005314098	0	59	0.0	-54.95	413.45	8.29	-46.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NCCC(C(C)(C)C)N4N=C3)C[C@H]2C1	REAL300005314098	1	59	0.0	-65.18	418.14	8.26	-56.92
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=C(C)C=C2)=NO1	REAL300005314099	0	53	0.0	-62.74	410.34	11.00	-51.74
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C2=CC=C(C)C=C2)=NO1	REAL300005314099	1	53	0.0	-63.51	411.19	10.56	-52.95
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=C(F)C=C3)C3CC3)C[C@H]2C1	REAL300005314100	0	51	0.0	-77.33	391.93	11.04	-66.29
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=C(F)C=C3)C3CC3)C[C@H]2C1	REAL300005314100	1	51	0.0	-70.66	386.87	10.73	-59.93
CC1=CC=CC=C1C1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005314101	0	50	0.0	-54.77	388.93	10.22	-44.55
CC1=CC=CC=C1C1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005314101	1	50	0.0	-66.98	388.05	10.26	-56.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=C5OCOC5=C4)=C3)C[C@H]2C1	REAL300005314102	0	50	0.0	-69.38	393.37	8.29	-61.09
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NOC(C4=CC=C5OCOC5=C4)=C3)C[C@H]2C1	REAL300005314102	1	50	0.0	-67.73	391.57	8.04	-59.69
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CCC4)=NO3)C[C@H]2C1	REAL300005314103	0	47	0.0	-66.71	354.96	8.23	-58.48
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CCC4)=NO3)C[C@H]2C1	REAL300005314103	1	47	0.0	-64.63	355.48	8.27	-56.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C)(C3)OCC4)C[C@H]2C1	REAL300005314104	0	49	0.0	-74.33	349.60	6.82	-67.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C)(C3)OCC4)C[C@H]2C1	REAL300005314104	1	49	0.0	-66.44	350.88	6.77	-59.67
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5(C)CC(C)(CC(F)(C5)C3)C4)C[C@H]2C1	REAL300005314105	0	61	0.0	-46.66	412.24	10.64	-36.02
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5(C)CC(C)(CC(F)(C5)C3)C4)C[C@H]2C1	REAL300005314105	1	61	0.0	-61.48	414.63	10.71	-50.77
CC1=CC(C(F)(F)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005314106	0	44	0.0	-53.64	357.48	8.81	-44.83
CC1=CC(C(F)(F)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CS1	REAL300005314106	1	44	0.0	-54.66	355.99	8.72	-45.94
CN1C=C(C(F)(F)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005314107	0	44	0.0	-61.89	348.53	6.83	-55.06
CN1C=C(C(F)(F)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005314107	1	44	0.0	-69.04	344.63	6.89	-62.15
COC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300005314108	0	46	0.0	-82.37	367.11	3.79	-78.58
COC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300005314108	1	46	0.0	-75.30	368.31	3.69	-71.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]3C(F)F)C[C@H]2C1	REAL300005314109	0	41	0.0	-71.02	310.38	7.79	-63.23
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@@H]3C(F)F)C[C@H]2C1	REAL300005314109	1	41	0.0	-69.05	315.02	7.77	-61.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4CCOCC4)C=C3)C[C@H]2C1	REAL300005314110	0	57	0.0	-58.04	419.57	7.07	-50.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=C(CN4CCOCC4)C=C3)C[C@H]2C1	REAL300005314110	1	57	0.0	-61.90	413.10	7.15	-54.75
COC1=CC([C@@H](C)CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C	REAL300005314112	0	57	0.0	-64.34	420.19	10.38	-53.96
COC1=CC([C@@H](C)CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC=C1C	REAL300005314112	1	57	0.0	-64.31	422.13	10.29	-54.02
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314113	0	57	0.0	-64.16	425.42	9.98	-54.18
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314113	1	57	0.0	-68.42	424.83	9.92	-58.50
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005314114	0	57	0.0	-63.01	433.49	10.62	-52.39
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=N1	REAL300005314114	1	57	0.0	-67.48	428.53	10.62	-56.86
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCCCCCC43)C[C@H]2C1	REAL300005314115	0	57	0.0	-62.54	386.95	10.69	-51.85
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC4CCCCCCC43)C[C@H]2C1	REAL300005314115	1	57	0.0	-66.17	389.39	10.59	-55.58
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4(CCC4)C3)C[C@H]2C1	REAL300005314116	0	54	0.0	-66.88	378.15	10.01	-56.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCC4(CCC4)C3)C[C@H]2C1	REAL300005314116	1	54	0.0	-66.23	383.24	10.07	-56.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3COC4)C[C@H]2C1	REAL300005314117	0	46	0.0	-80.09	345.53	7.30	-72.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC=CC4=C3COC4)C[C@H]2C1	REAL300005314117	1	46	0.0	-61.08	341.02	7.36	-53.72
CC1CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CCS1	REAL300005314118	0	48	0.0	-65.34	360.23	8.92	-56.42
CC1CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CCS1	REAL300005314118	1	48	0.0	-69.89	356.21	8.73	-61.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005314119	0	55	0.0	-67.72	425.40	11.68	-56.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CN(C4=CC=CC=C4)N=C3)C[C@H]2C1	REAL300005314119	1	55	0.0	-72.29	425.83	11.53	-60.76
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CC5(CC5)CC4=C3)C[C@H]2C1	REAL300005314120	0	49	0.0	-62.37	369.45	8.48	-53.89
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NN4CC5(CC5)CC4=C3)C[C@H]2C1	REAL300005314120	1	49	0.0	-69.80	371.79	8.39	-61.41
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)C=CCCC3)C[C@H]2C1	REAL300005314121	0	48	0.0	-74.49	337.89	8.53	-65.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C)C=CCCC3)C[C@H]2C1	REAL300005314121	1	48	0.0	-66.26	335.95	8.32	-57.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCC4)CC3)C[C@H]2C1	REAL300005314122	0	48	0.0	-68.07	342.15	8.93	-59.14
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4CCC4)CC3)C[C@H]2C1	REAL300005314122	1	48	0.0	-65.59	343.71	9.06	-56.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=NC=C4)CC3)C[C@H]2C1	REAL300005314123	0	47	0.0	-70.96	355.49	8.20	-62.76
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=NC=C4)CC3)C[C@H]2C1	REAL300005314123	1	47	0.0	-61.80	357.87	8.19	-53.61
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)N3C=CC(C4CC4)=N3)C[C@H]2C1	REAL300005314124	0	54	0.0	-71.87	398.02	9.69	-62.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)N3C=CC(C4CC4)=N3)C[C@H]2C1	REAL300005314124	1	54	0.0	-59.20	396.81	9.53	-49.67
CCCCC[C@@H](O)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314125	0	53	0.0	-69.63	392.43	7.62	-62.01
CCCCC[C@@H](O)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314125	1	53	0.0	-68.31	394.52	7.54	-60.77
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCS(=O)(=O)CC3)C[C@H]2C1	REAL300005314126	0	50	0.0	-78.15	375.30	5.36	-72.79
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCS(=O)(=O)CC3)C[C@H]2C1	REAL300005314126	1	50	0.0	-75.34	376.02	5.32	-70.02
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N2C=CC=CC2=N1	REAL300005314127	0	47	0.0	-57.69	364.33	9.19	-48.50
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N2C=CC=CC2=N1	REAL300005314127	1	47	0.0	-70.73	364.33	9.20	-61.53
COC12CCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)(CC1)C2	REAL300005314128	0	52	0.0	-77.99	369.35	7.39	-70.60
COC12CCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)(CC1)C2	REAL300005314128	1	52	0.0	-70.22	368.81	7.29	-62.93
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(CC(C5)O3)C4)C[C@H]2C1	REAL300005314129	0	53	0.0	-70.54	366.80	8.48	-62.06
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC5CC(CC(C5)O3)C4)C[C@H]2C1	REAL300005314129	1	53	0.0	-67.52	366.58	8.38	-59.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CS4)CCOCC3)C[C@H]2C1	REAL300005314130	0	52	0.0	-72.52	381.26	8.07	-64.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CS4)CCOCC3)C[C@H]2C1	REAL300005314130	1	52	0.0	-62.25	377.58	8.11	-54.14
COC1CC(CCC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005314131	0	51	0.0	-71.86	379.87	7.91	-63.95
COC1CC(CCC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1	REAL300005314131	1	51	0.0	-70.78	380.16	7.93	-62.85
CC(C)CC1=NC=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005314132	0	51	0.0	-56.97	384.27	8.83	-48.14
CC(C)CC1=NC=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005314132	1	51	0.0	-65.58	380.63	8.59	-56.99
CC1=CC=C(C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2CC2)C=C1	REAL300005314133	0	54	0.0	-76.79	406.92	11.65	-65.14
CC1=CC=C(C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2CC2)C=C1	REAL300005314133	1	54	0.0	-68.34	407.24	11.55	-56.79
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N2C=CC=CC2=N1	REAL300005314134	0	50	0.0	-61.45	385.81	10.29	-51.16
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N2C=CC=CC2=N1	REAL300005314134	1	50	0.0	-75.60	385.82	9.94	-65.66
CC1=CC(F)=CC=C1C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314135	0	51	0.0	-66.77	379.69	10.65	-56.12
CC1=CC(F)=CC=C1C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314135	1	51	0.0	-70.55	382.79	10.54	-60.01
CC1=CC=C(F)C=C1C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314136	0	51	0.0	-51.88	384.31	10.51	-41.37
CC1=CC=C(F)C=C1C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314136	1	51	0.0	-60.78	380.60	10.62	-50.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C([N+](=O)[O-])C=C4)CC3)C[C@H]2C1	REAL300005314137	0	50	0.0	-62.92	389.65	10.99	-51.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=C([N+](=O)[O-])C=C4)CC3)C[C@H]2C1	REAL300005314137	1	50	0.0	-62.93	391.05	10.62	-52.31
COC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300005314138	0	50	0.0	-76.02	385.55	7.85	-68.17
COC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300005314138	1	50	0.0	-72.12	386.62	7.80	-64.32
CCC1=C(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005314139	0	46	0.0	-57.25	347.46	8.03	-49.22
CCC1=C(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005314139	1	46	0.0	-65.33	350.93	7.97	-57.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC=C3C3CCC3)C[C@H]2C1	REAL300005314140	0	48	0.0	-76.00	354.55	7.67	-68.33
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NNC=C3C3CCC3)C[C@H]2C1	REAL300005314140	1	48	0.0	-69.10	357.76	7.54	-61.56
CC1CC(C)(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC(C)O1	REAL300005314141	0	54	0.0	-47.56	371.26	7.43	-40.13
CC1CC(C)(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC(C)O1	REAL300005314141	1	54	0.0	-63.30	371.85	7.40	-55.90
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]34COC[C@H]3C4(F)F)C[C@H]2C1	REAL300005314143	0	43	0.0	-66.86	330.21	5.94	-60.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@]34COC[C@H]3C4(F)F)C[C@H]2C1	REAL300005314143	1	43	0.0	-72.51	329.94	5.99	-66.52
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314144	0	47	0.0	-56.40	365.50	9.50	-46.90
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314144	1	47	0.0	-53.79	364.11	9.43	-44.36
CCC1=CC=CC=C1C(F)(F)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314145	0	50	0.0	-51.04	377.43	10.12	-40.92
CCC1=CC=CC=C1C(F)(F)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314145	1	50	0.0	-64.29	375.31	9.92	-54.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=CC=C3)N3C=NN=N3)C[C@H]2C1	REAL300005314146	0	52	0.0	-73.84	398.00	9.47	-64.37
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC(C3=CC=CC=C3)N3C=NN=N3)C[C@H]2C1	REAL300005314146	1	52	0.0	-80.70	395.20	9.36	-71.34
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C4NC=CC=C4N=C3)C[C@H]2C1	REAL300005314147	0	47	0.0	-94.03	363.20	7.25	-86.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=C4NC=CC=C4N=C3)C[C@H]2C1	REAL300005314147	1	47	0.0	-87.81	360.43	7.33	-80.48
COC1=C2NC=C(CC(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300005314148	0	52	0.0	-71.11	397.06	8.38	-62.73
COC1=C2NC=C(CC(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300005314148	1	52	0.0	-66.50	398.07	8.37	-58.13
COCC(C)(O)CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314149	0	48	0.0	-64.74	355.17	5.02	-59.72
COCC(C)(O)CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314149	1	48	0.0	-67.43	354.29	4.95	-62.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(Cl)C=C(F)C=C4N3)C[C@H]2C1	REAL300005314150	0	45	0.0	-60.23	363.56	9.35	-50.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(Cl)C=C(F)C=C4N3)C[C@H]2C1	REAL300005314150	1	45	0.0	-65.96	364.63	8.92	-57.04
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=C1CCCC2	REAL300005314151	0	52	0.0	-70.55	385.49	9.01	-61.54
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)NC2=C1CCCC2	REAL300005314151	1	52	0.0	-68.52	376.07	9.25	-59.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(CC4CCC4)=CN3)C[C@H]2C1	REAL300005314152	0	52	0.0	-65.58	386.26	9.83	-55.75
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(CC4CCC4)=CN3)C[C@H]2C1	REAL300005314152	1	52	0.0	-74.38	386.02	9.86	-64.52
CC1=C(C)NC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005314153	0	48	0.0	-62.25	368.71	7.62	-54.63
CC1=C(C)NC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005314153	1	48	0.0	-69.29	367.74	7.44	-61.85
CC1=CNC(C=CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005314154	0	45	0.0	-62.42	348.99	7.12	-55.30
CC1=CNC(C=CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=N1	REAL300005314154	1	45	0.0	-65.31	351.15	7.03	-58.28
CCC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CS1	REAL300005314155	0	44	0.0	-65.96	335.69	8.45	-57.51
CCC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CS1	REAL300005314155	1	44	0.0	-61.17	338.89	8.44	-52.73
CCCCN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005314157	0	49	0.0	-67.86	374.18	7.30	-60.56
CCCCN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)N=N1	REAL300005314157	1	49	0.0	-65.91	375.94	7.15	-58.76
CCCC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005314158	0	50	0.0	-63.55	376.57	8.34	-55.21
CCCC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1C	REAL300005314158	1	50	0.0	-60.76	376.74	8.33	-52.43
CCCC1=NN(C)C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314159	0	50	0.0	-75.58	373.70	7.94	-67.64
CCCC1=NN(C)C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314159	1	50	0.0	-66.46	372.38	7.81	-58.65
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCCC4=NNC3=O)C[C@H]2C1	REAL300005314161	0	50	0.0	-64.38	372.73	6.02	-58.36
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4CCCCC4=NNC3=O)C[C@H]2C1	REAL300005314161	1	50	0.0	-67.49	373.23	6.00	-61.49
CC(C)CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005314162	0	49	0.0	-57.20	369.14	8.68	-48.52
CC(C)CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NO1	REAL300005314162	1	49	0.0	-64.78	371.44	8.58	-56.20
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCOCC4)S3)C[C@H]2C1	REAL300005314163	0	51	0.0	-66.15	390.71	6.74	-59.41
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C(C4CCOCC4)S3)C[C@H]2C1	REAL300005314163	1	51	0.0	-72.64	390.95	6.73	-65.91
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN21	REAL300005314164	0	47	0.0	-59.12	365.28	9.88	-49.24
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN21	REAL300005314164	1	47	0.0	-72.55	365.26	9.53	-63.02
CC1=NC=C2C=CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN21	REAL300005314164	1	47	0.0	-59.12	365.28	9.88	-49.24
CC1=NC=C2C=CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CN21	REAL300005314164	1	47	0.0	-72.55	365.26	9.53	-63.02
CC1=CN2CC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=N1	REAL300005314165	0	51	0.0	-55.67	378.21	8.99	-46.68
CC1=CN2CC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CCC2=N1	REAL300005314165	1	51	0.0	-66.74	378.49	9.02	-57.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=NNN=C4)CCOCC3)C[C@H]2C1	REAL300005314166	0	54	0.0	-83.55	379.07	4.96	-78.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=NNN=C4)CCOCC3)C[C@H]2C1	REAL300005314166	1	54	0.0	-88.14	379.29	4.86	-83.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CNN=N4)CCOCC3)C[C@H]2C1	REAL300005314166	1	54	0.0	-83.55	379.07	4.96	-78.59
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CNN=N4)CCOCC3)C[C@H]2C1	REAL300005314166	1	54	0.0	-88.14	379.29	4.86	-83.28
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=NNN=C4)CCCC3)C[C@H]2C1	REAL300005314167	0	53	0.0	-75.94	377.17	7.02	-68.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=NNN=C4)CCCC3)C[C@H]2C1	REAL300005314167	1	53	0.0	-83.77	381.83	6.80	-76.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CNN=N4)CCCC3)C[C@H]2C1	REAL300005314167	1	53	0.0	-75.94	377.17	7.02	-68.92
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CNN=N4)CCCC3)C[C@H]2C1	REAL300005314167	1	53	0.0	-83.77	381.83	6.80	-76.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4COCCC4=C3)C[C@H]2C1	REAL300005314168	0	48	0.0	-55.86	359.30	6.17	-49.69
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=C4COCCC4=C3)C[C@H]2C1	REAL300005314168	1	48	0.0	-62.22	358.47	6.12	-56.10
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314169	0	49	0.0	-56.55	371.00	10.19	-46.36
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314169	1	49	0.0	-60.48	377.36	9.93	-50.55
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1CC(F)(F)F	REAL300005314170	0	47	0.0	-65.80	372.93	8.05	-57.75
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=NN1CC(F)(F)F	REAL300005314170	1	47	0.0	-59.41	373.81	8.07	-51.34
CN1C=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC(Cl)=C21	REAL300005314171	0	48	0.0	-58.64	378.30	10.09	-48.55
CN1C=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C2=CC=CC(Cl)=C21	REAL300005314171	1	48	0.0	-72.14	373.27	9.91	-62.23
CC1=C(C2CC2)ON=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314172	0	47	0.0	-67.86	359.34	8.92	-58.94
CC1=C(C2CC2)ON=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314172	1	47	0.0	-65.41	360.30	8.73	-56.68
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314173	0	50	0.0	-50.27	387.89	10.30	-39.97
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314173	1	50	0.0	-66.39	384.18	10.02	-56.37
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=C(Br)C=CS3)C[C@H]2C1	REAL300005314174	0	42	0.0	-66.23	354.72	9.22	-57.01
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=C(Br)C=CS3)C[C@H]2C1	REAL300005314174	1	42	0.0	-65.23	356.87	9.16	-56.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=C(Br)SC=C3)C[C@H]2C1	REAL300005314175	0	42	0.0	-68.37	354.66	9.18	-59.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=C(Br)SC=C3)C[C@H]2C1	REAL300005314175	1	42	0.0	-66.28	356.81	9.12	-57.16
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(F)C=CC4=NNC=C43)C[C@H]2C1	REAL300005314176	0	44	0.0	-59.14	350.14	7.02	-52.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C(F)C=CC4=NNC=C43)C[C@H]2C1	REAL300005314176	1	44	0.0	-64.51	350.58	6.90	-57.61
CCC1=CC=NC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314177	0	46	0.0	-62.18	347.90	8.51	-53.67
CCC1=CC=NC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314177	1	46	0.0	-68.24	346.45	8.32	-59.92
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C(F)(F)F)(C3)CO4)C[C@H]2C1	REAL300005314178	0	46	0.0	-53.46	359.79	7.25	-46.21
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C(F)(F)F)(C3)CO4)C[C@H]2C1	REAL300005314178	1	46	0.0	-67.97	356.15	7.00	-60.97
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CN=CC(F)=C3)C[C@H]2C1	REAL300005314179	0	44	0.0	-66.41	345.97	7.87	-58.54
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C=CC3=CN=CC(F)=C3)C[C@H]2C1	REAL300005314179	1	44	0.0	-65.11	348.13	7.80	-57.31
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(N4C=CC=N4)=N3)C[C@H]2C1	REAL300005314180	0	46	0.0	-62.24	359.91	7.46	-54.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CN=CC(N4C=CC=N4)=N3)C[C@H]2C1	REAL300005314180	1	46	0.0	-57.18	360.00	7.46	-49.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC4=CN=CC=C43)C[C@H]2C1	REAL300005314181	0	46	0.0	-57.99	354.95	8.89	-49.10
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(F)=CC4=CN=CC=C43)C[C@H]2C1	REAL300005314181	1	46	0.0	-73.24	354.24	8.57	-64.67
CN1N=NC=C1C1=CC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005314182	0	50	0.0	-65.56	379.54	7.74	-57.82
CN1N=NC=C1C1=CC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=C1	REAL300005314182	1	50	0.0	-64.40	377.20	7.60	-56.80
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC=C3C(C)(C)C)C[C@H]2C1	REAL300005314183	0	52	0.0	-75.67	375.79	9.18	-66.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=CC=C3C(C)(C)C)C[C@H]2C1	REAL300005314183	1	52	0.0	-62.74	367.36	9.23	-53.51
CC1=C(F)C=CC=C1C1(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314184	0	51	0.0	-68.79	381.60	10.60	-58.19
CC1=C(F)C=CC=C1C1(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314184	1	51	0.0	-60.17	382.53	10.39	-49.78
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CS4)CCCC3)C[C@H]2C1	REAL300005314185	0	51	0.0	-55.07	375.08	10.29	-44.78
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C4=CC=CS4)CCCC3)C[C@H]2C1	REAL300005314185	1	51	0.0	-65.04	372.56	9.79	-55.25
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=CS3)C3CCCCC3)C[C@H]2C1	REAL300005314186	0	57	0.0	-69.71	419.94	11.68	-58.03
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C3=CC=CS3)C3CCCCC3)C[C@H]2C1	REAL300005314186	1	57	0.0	-69.01	420.90	11.61	-57.40
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(=O)C3=CC=C4CCCCC4=C3)C[C@H]2C1	REAL300005314187	0	59	0.0	-70.23	441.14	12.19	-58.04
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(=O)C3=CC=C4CCCCC4=C3)C[C@H]2C1	REAL300005314187	1	59	0.0	-68.07	441.33	12.24	-55.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC4CC4C3)C[C@H]2C1	REAL300005314188	0	46	0.0	-73.54	344.86	8.32	-65.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(C#N)CC4CC4C3)C[C@H]2C1	REAL300005314188	1	46	0.0	-53.60	343.77	8.26	-45.34
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314189	0	52	0.0	-47.66	379.87	7.96	-39.70
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314189	1	52	0.0	-64.74	382.95	7.94	-56.80
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=NNN=C21	REAL300005314190	0	46	0.0	-60.80	348.43	5.79	-55.01
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CC2=NNN=C21	REAL300005314190	1	46	0.0	-70.86	349.75	5.92	-64.94
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=C4C=CSC4=C3)C[C@H]2C1	REAL300005314191	0	43	0.0	-60.66	343.51	8.47	-52.19
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=NC=C4C=CSC4=C3)C[C@H]2C1	REAL300005314191	1	43	0.0	-67.99	343.94	8.37	-59.62
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC(OC(F)F)=C4O3)C[C@H]2C1	REAL300005314192	0	48	0.0	-57.25	380.47	8.39	-48.86
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=CC(OC(F)F)=C4O3)C[C@H]2C1	REAL300005314192	1	48	0.0	-69.10	377.35	8.18	-60.92
CN1N=C(C(F)(F)F)C=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314193	0	47	0.0	-74.16	377.25	7.55	-66.61
CN1N=C(C(F)(F)F)C=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314193	1	47	0.0	-68.00	378.27	7.53	-60.47
CC1CC(CC(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)O1	REAL300005314194	0	51	0.0	-71.53	367.39	7.49	-64.04
CC1CC(CC(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)O1	REAL300005314194	1	51	0.0	-65.60	374.70	7.63	-57.97
CCC1=CN2CCC(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=N1	REAL300005314195	0	54	0.0	-64.08	398.77	9.74	-54.34
CCC1=CN2CCC(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)CC2=N1	REAL300005314195	1	54	0.0	-65.06	401.64	9.70	-55.36
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC4CCCCC34)C[C@H]2C1	REAL300005314196	0	60	0.0	-66.02	408.48	11.34	-54.68
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3CCCC4CCCCC34)C[C@H]2C1	REAL300005314196	1	60	0.0	-61.43	407.37	11.24	-50.19
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(Cl)=C3)C[C@H]2C1	REAL300005314197	0	38	0.0	-71.14	307.81	6.64	-64.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(Cl)=C3)C[C@H]2C1	REAL300005314197	1	38	0.0	-73.10	307.48	6.73	-66.37
COC1=C2C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)=CSC2=CC=C1	REAL300005314198	0	48	0.0	-69.55	372.39	10.01	-59.54
COC1=C2C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)=CSC2=CC=C1	REAL300005314198	1	48	0.0	-66.73	373.58	9.91	-56.82
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CC4=NS3)C[C@H]2C1	REAL300005314199	0	43	0.0	-64.23	339.16	7.98	-56.25
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4C=CC=CC4=NS3)C[C@H]2C1	REAL300005314199	1	43	0.0	-61.81	336.54	8.18	-53.63
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(F)=C1	REAL300005314200	0	41	0.0	-55.10	321.95	8.24	-46.86
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SC(F)=C1	REAL300005314200	1	41	0.0	-66.00	322.33	7.74	-58.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@H](C(F)F)C3(C)C)C[C@H]2C1	REAL300005314201	0	47	0.0	-54.65	350.59	8.77	-45.88
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3[C@H](C(F)F)C3(C)C)C[C@H]2C1	REAL300005314201	1	47	0.0	-71.87	342.90	8.54	-63.33
CN1N=NC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005314202	0	46	0.0	-73.74	354.93	6.63	-67.11
CN1N=NC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C21	REAL300005314202	1	46	0.0	-93.65	351.69	6.44	-87.21
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=CC=N3)C[C@H]2C1	REAL300005314203	0	47	0.0	-55.44	356.90	9.26	-46.18
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC(C4CC4)=CC=N3)C[C@H]2C1	REAL300005314203	1	47	0.0	-59.62	355.30	9.22	-50.40
COC1=NC=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005314204	0	46	0.0	-75.01	351.45	3.28	-71.73
COC1=NC=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C(C)=N1	REAL300005314204	1	46	0.0	-62.08	351.59	3.20	-58.88
CC(CC1=CC=NC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314205	0	49	0.0	-64.60	362.82	8.29	-56.31
CC(CC1=CC=NC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314205	1	49	0.0	-64.25	370.71	8.42	-55.83
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4C5CC3CC54)C[C@H]2C1	REAL300005314206	0	46	0.0	-77.82	331.54	8.86	-68.96
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3C4C5CC3CC54)C[C@H]2C1	REAL300005314206	1	46	0.0	-65.04	332.26	8.92	-56.12
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(N4C=CN=C4)C3)C[C@H]2C1	REAL300005314207	0	48	0.0	-67.27	361.03	9.28	-57.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CC(N4C=CN=C4)C3)C[C@H]2C1	REAL300005314207	1	48	0.0	-71.44	363.54	9.30	-62.14
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN4C=NN=C34)C[C@H]2C1	REAL300005314208	0	47	0.0	-66.84	346.23	9.18	-57.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCCN4C=NN=C34)C[C@H]2C1	REAL300005314208	1	47	0.0	-83.61	351.53	8.89	-74.72
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN=N1	REAL300005314209	0	42	0.0	-68.03	318.91	5.74	-62.29
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN=N1	REAL300005314209	1	42	0.0	-69.94	319.02	5.63	-64.31
CC1=CC=CC(C(O)C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314210	0	48	0.0	-55.56	362.21	7.49	-48.07
CC1=CC=CC(C(O)C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314210	1	48	0.0	-66.55	356.88	7.29	-59.26
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=C(O)C=C4)CC3)C[C@H]2C1	REAL300005314211	0	52	0.0	-68.32	397.32	8.39	-59.93
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3(CC4=CC=C(O)C=C4)CC3)C[C@H]2C1	REAL300005314211	1	52	0.0	-69.61	394.46	8.07	-61.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC3=NNN=C3)C[C@H]2C1	REAL300005314212	0	49	0.0	-72.19	354.40	5.70	-66.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC3=NNN=C3)C[C@H]2C1	REAL300005314212	1	49	0.0	-68.34	354.09	5.59	-62.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC3=CNN=N3)C[C@H]2C1	REAL300005314212	1	49	0.0	-72.19	354.40	5.70	-66.49
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(C)(C)CC3=CNN=N3)C[C@H]2C1	REAL300005314212	1	49	0.0	-68.34	354.09	5.59	-62.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCC4=O)N3)C[C@H]2C1	REAL300005314213	0	48	0.0	-81.32	359.63	7.82	-73.50
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=C(CCCC4=O)N3)C[C@H]2C1	REAL300005314213	1	48	0.0	-79.10	357.78	7.66	-71.44
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(CN4C=CC=N4)=C3)C[C@H]2C1	REAL300005314214	0	48	0.0	-76.60	375.03	7.86	-68.74
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=COC(CN4C=CC=N4)=C3)C[C@H]2C1	REAL300005314214	1	48	0.0	-79.85	374.71	7.95	-71.90
COC1=CC=C(Cl)C(F)=C1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314215	0	45	0.0	-60.94	368.43	8.15	-52.79
COC1=CC=C(Cl)C(F)=C1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314215	1	45	0.0	-67.80	368.86	8.05	-59.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)CC3=CC=CC=C3)C[C@H]2C1	REAL300005314216	0	48	0.0	-77.84	362.75	7.50	-70.34
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)CC3=CC=CC=C3)C[C@H]2C1	REAL300005314216	1	48	0.0	-66.85	360.90	7.39	-59.46
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NCCCN4N=C3)C[C@H]2C1	REAL300005314217	0	47	0.0	-54.96	346.01	5.54	-49.42
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NCCCN4N=C3)C[C@H]2C1	REAL300005314217	1	47	0.0	-63.41	350.03	5.46	-57.95
CC1=CC(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN1C	REAL300005314218	0	45	0.0	-85.33	336.28	8.08	-77.25
CC1=CC(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=CN1C	REAL300005314218	1	45	0.0	-73.75	335.92	8.16	-65.59
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005314219	0	49	0.0	-69.48	371.15	9.76	-59.72
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CNC(C4=CC=CC=C4)=C3)C[C@H]2C1	REAL300005314219	1	49	0.0	-73.37	372.11	9.30	-64.07
CC1CCCC(O)(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314220	0	54	0.0	-60.81	368.49	7.61	-53.20
CC1CCCC(O)(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)CC1	REAL300005314220	1	54	0.0	-59.88	374.07	6.37	-53.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3CCC(C(C)(C)C)CC3)C[C@H]2C1	REAL300005314221	0	63	0.0	-70.62	419.71	9.57	-61.05
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C(O)C3CCC(C(C)(C)C)CC3)C[C@H]2C1	REAL300005314221	1	63	0.0	-66.73	427.47	9.28	-57.45
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(=O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005314222	0	49	0.0	-59.12	395.37	10.61	-48.51
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC(=O)C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005314222	1	49	0.0	-67.02	395.32	10.27	-56.75
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=NS3)C[C@H]2C1	REAL300005314223	0	39	0.0	-72.83	314.38	5.71	-67.12
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CC3=CN=NS3)C[C@H]2C1	REAL300005314223	1	39	0.0	-69.65	313.00	5.83	-63.82
CCOC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CS1	REAL300005314224	0	45	0.0	-68.02	349.80	8.30	-59.72
CCOC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C=CS1	REAL300005314224	1	45	0.0	-71.42	350.21	8.20	-63.22
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=CC4=CC(F)=C3)C[C@H]2C1	REAL300005314225	0	45	0.0	-55.95	348.74	8.50	-47.45
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=C4NC=CC4=CC(F)=C3)C[C@H]2C1	REAL300005314225	1	45	0.0	-68.78	347.13	8.19	-60.59
CCC1=NNC(CC)=C1CC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314226	0	53	0.0	-69.44	399.43	8.10	-61.34
CCC1=NNC(CC)=C1CC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314226	1	53	0.0	-67.76	394.71	8.08	-59.68
CN(C)C1=NC2=C(C(=O)N3C[C@H]4C[N@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C2O1	REAL300005314227	0	51	0.0	-81.59	389.22	6.49	-75.10
CN(C)C1=NC2=C(C(=O)N3C[C@H]4C[N@@H+](C)CC[C@@]4(C(=O)[O-])C3)C=CC=C2O1	REAL300005314227	1	51	0.0	-69.50	386.89	6.62	-62.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H](O)CC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005314228	0	54	0.0	-78.79	411.09	9.80	-68.99
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H](O)CC3=CC4=CC=CC=C4C=C3)C[C@H]2C1	REAL300005314228	1	54	0.0	-60.31	410.89	9.80	-50.51
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005314229	0	48	0.0	-63.90	382.76	10.93	-52.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300005314229	1	48	0.0	-67.16	382.40	10.87	-56.29
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005314232	0	48	0.0	-62.94	366.03	10.41	-52.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005314232	1	48	0.0	-67.23	365.66	10.35	-56.88
CCC(=CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314233	0	51	0.0	-70.07	381.35	10.59	-59.48
CCC(=CC1=CC=CC=C1)C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314233	1	51	0.0	-66.08	382.75	10.55	-55.53
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=NN=CN4C3)C[C@H]2C1	REAL300005314234	0	47	0.0	-74.57	345.58	8.87	-65.70
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3CCC4=NN=CN4C3)C[C@H]2C1	REAL300005314234	1	47	0.0	-70.12	352.83	9.05	-61.07
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005314236	0	48	0.0	-62.94	366.03	10.41	-52.53
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005314236	1	48	0.0	-67.23	365.66	10.35	-56.88
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(O)C=C4N3)C[C@H]2C1	REAL300005314238	0	46	0.0	-59.59	351.63	5.94	-53.65
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C3=CC4=CC=C(O)C=C4N3)C[C@H]2C1	REAL300005314238	1	46	0.0	-71.55	352.10	5.61	-65.94
CC1=C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)SN=C1	REAL300005314239	0	40	0.0	-60.99	311.05	6.27	-54.72
CC1=C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)SN=C1	REAL300005314239	1	40	0.0	-64.85	312.94	6.31	-58.54
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005314240	0	48	0.0	-64.31	363.27	10.41	-53.90
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@@H]3C3=CC=CC=C3)C[C@H]2C1	REAL300005314240	1	48	0.0	-60.20	363.66	10.34	-49.86
CC1C(C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)C1C1=CC=CC=C1	REAL300005314241	0	51	0.0	-72.30	384.50	10.98	-61.32
CC1C(C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)C1C1=CC=CC=C1	REAL300005314241	1	51	0.0	-68.87	375.43	10.81	-58.06
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314242	0	54	0.0	-65.42	400.00	11.63	-53.79
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)[O-])C1	REAL300005314242	1	54	0.0	-69.01	402.92	11.53	-57.48
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC=C3F)C[C@H]2C1	REAL300005314244	0	48	0.0	-72.02	368.28	10.44	-61.58
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC=C3F)C[C@H]2C1	REAL300005314244	1	48	0.0	-68.61	369.93	10.37	-58.24
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC(O)=C3)C[C@H]2C1	REAL300005314245	0	49	0.0	-66.73	377.21	7.56	-59.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=CC(O)=C3)C[C@H]2C1	REAL300005314245	1	49	0.0	-72.45	372.90	7.38	-65.07
C[NH+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C[C@H]2C1	REAL300005314246	1	51	0.0	-50.11	367.09	8.24	-41.87
C[NH+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C[C@H]2C1	REAL300005314246	1	51	0.0	-67.07	357.70	8.35	-58.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C3)CN4C3CC3)C[C@H]2C1	REAL300005314246	1	51	0.0	-50.11	367.09	8.24	-41.87
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)C34CC(C3)CN4C3CC3)C[C@H]2C1	REAL300005314246	1	51	0.0	-67.07	357.70	8.35	-58.72
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@H](N4C=NN=C4)C3)C[C@H]2C1	REAL300005314247	0	47	0.0	-72.62	352.18	9.96	-62.66
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@H]3C[C@H](N4C=NN=C4)C3)C[C@H]2C1	REAL300005314247	1	47	0.0	-73.01	354.21	9.89	-63.12
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314248	0	52	0.0	-66.82	395.68	9.71	-57.11
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)CC[C@@]3(C(=O)[O-])C2)=C1	REAL300005314248	1	52	0.0	-73.68	391.38	9.53	-64.15
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005314249	0	48	0.0	-69.35	394.47	11.38	-57.97
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)[C@@H]3C[C@H]3C3=CC=C(Cl)C(Cl)=C3)C[C@H]2C1	REAL300005314249	1	48	0.0	-71.48	393.79	11.20	-60.28
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCN(C3=CC=C(F)C=C3F)C2)C1	REAL300005314325	1	52	0.0	-52.41	401.46	7.79	-44.62
COC1=CC=C(C(O)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300005314448	1	52	0.0	-54.91	404.40	4.31	-50.60
CC1CCCC(O)(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005314540	1	50	0.0	-46.75	348.55	5.27	-41.48
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)CO1	REAL300005314614	1	50	0.0	-45.70	355.62	8.13	-37.57
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(COC(CO)C3)CC2)C1	REAL300005314722	0	52	0.0	-52.43	376.26	4.51	-47.92
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(COC(CO)C3)CC2)C1	REAL300005314722	1	52	0.0	-49.11	368.79	4.05	-45.06
CC(C)(C)C1(O)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005314812	1	50	0.0	-45.09	352.11	5.20	-39.89
CC1=CC(C)=C(C(CO)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300005314954	1	53	0.0	-46.01	383.14	7.72	-38.29
O=C([O-])C1=CSC(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)=N1	REAL300005316764	0	49	0.0	-77.01	384.89	7.78	-69.23
O=C([O-])C1=CSC(N2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)=N1	REAL300005316788	0	46	0.0	-74.06	363.50	6.72	-67.34
O=C([O-])C1=CSC(N2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)=N1	REAL300005316788	1	46	0.0	-72.86	360.22	6.63	-66.23
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C4=NC(C(=O)[O-])=CS4)CC3)CN21	REAL300005316794	1	47	0.0	-78.12	379.16	7.38	-70.74
C[N@@H+]1CCCCC1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005316861	0	45	0.0	-73.45	351.31	6.33	-67.12
C[N@H+]1CCCCC1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005316861	1	45	0.0	-75.88	343.88	6.06	-69.82
CC(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)N1CC[NH+](C)CC1	REAL300005316862	1	50	0.0	-76.90	387.38	4.69	-72.21
C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005316897	0	45	0.0	-73.21	351.90	6.36	-66.85
C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005316897	1	45	0.0	-76.15	344.19	6.03	-70.12
C[NH+]1CCC(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300005316960	0	45	0.0	-88.79	354.84	6.32	-82.47
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)=N1	REAL300005316990	0	40	0.0	-84.90	346.33	8.16	-76.74
C[NH+](C)CC1(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CCCCC1	REAL300005317019	0	54	0.0	-75.42	387.90	7.49	-67.93
C[N@H+](CCC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)C1CCCCC1	REAL300005317024	0	54	0.0	-79.12	410.01	8.45	-70.67
C[N@@H+](CCC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)C1CCCCC1	REAL300005317024	1	54	0.0	-78.86	410.00	8.46	-70.40
C[N@@H+]1CCCC1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317038	0	42	0.0	-73.56	336.22	5.64	-67.92
C[N@H+]1CCCC1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317038	1	42	0.0	-73.62	332.94	5.56	-68.06
C[NH+]1CCC(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300005317088	0	45	0.0	-88.79	354.84	6.32	-82.47
O=C([O-])C1=CSC(N2CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2)=N1	REAL300005317101	0	55	0.0	-71.29	403.94	9.13	-62.16
O=C([O-])C1=CSC(N2CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2)=N1	REAL300005317101	1	55	0.0	-71.66	400.94	8.39	-63.27
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317132	1	46	0.0	-74.69	382.57	7.77	-66.92
O=C([O-])C1=CSC(N2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)=N1	REAL300005317133	1	52	0.0	-80.90	409.86	6.45	-74.45
C[C@@H](C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[NH+](C)C	REAL300005317139	0	41	0.0	-74.81	328.10	5.18	-69.63
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317140	0	42	0.0	-74.71	329.99	5.33	-69.38
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317140	1	42	0.0	-73.52	333.06	5.57	-67.95
C[C@H](C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[NH+](C)C	REAL300005317144	0	41	0.0	-74.85	326.95	5.10	-69.75
C[NH+](C)C1(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300005317152	0	42	0.0	-74.68	331.03	5.28	-69.40
CCC(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[NH+](CC)CC	REAL300005317216	0	50	0.0	-70.57	374.37	6.98	-63.59
CC(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300005317218	0	51	0.0	-77.35	403.95	8.72	-68.63
CC(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300005317218	1	51	0.0	-76.06	403.89	8.74	-67.32
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CCC(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[N@@H+]1CCOC(CC)C1	REAL300005317268	1	55	0.0	-75.46	411.39	6.65	-68.81
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CC(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[NH+]1CCSCC1	REAL300005317359	1	46	0.0	-76.82	368.74	6.72	-70.10
C[N@H+](CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)CC(C)(C)C	REAL300005317361	0	50	0.0	-77.12	379.43	7.21	-69.91
C[N@@H+](CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)CC(C)(C)C	REAL300005317361	1	50	0.0	-76.99	381.37	7.36	-69.63
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C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317363	1	51	0.0	-81.83	410.73	9.24	-72.59
CC[C@@H](C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[NH+](C)C	REAL300005317366	0	44	0.0	-74.81	342.35	5.84	-68.97
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300005317368	0	49	0.0	-76.11	379.04	5.29	-70.82
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300005317368	1	49	0.0	-76.88	369.29	5.07	-71.81
CCCCCC[N@H+](C)CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317388	0	53	0.0	-78.63	415.32	8.56	-70.07
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C[N@@H+](CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)C1CCSC1	REAL300005317417	1	46	0.0	-82.68	370.88	7.05	-75.63
CC(C)[NH+]1CCN(CCC(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300005317433	0	56	0.0	-75.18	426.95	6.04	-69.14
CC(C)N1CC[NH+](CCC(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300005317433	1	56	0.0	-79.38	423.45	5.84	-73.54
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CCCC(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[NH+](C)C	REAL300005317462	0	47	0.0	-75.89	362.50	6.58	-69.31
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CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317482	1	49	0.0	-71.39	397.55	8.07	-63.32
CC[C@@H]1[C@@H](C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC[N@@H+]1C	REAL300005317485	0	48	0.0	-77.93	364.63	6.33	-71.60
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C[N@H+]1CCCC1C1=CC(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)=NN1	REAL300005317487	1	49	0.0	-86.15	387.23	5.62	-80.53
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317488	1	44	0.0	-73.26	356.68	6.54	-66.72
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317488	1	44	0.0	-81.26	360.27	6.90	-74.36
CC1C[N@H+](C)CC(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)O1	REAL300005317494	1	46	0.0	-83.01	358.92	5.76	-77.25
CC1C[N@@H+](C)CC(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)O1	REAL300005317494	1	46	0.0	-96.62	358.35	5.35	-91.27
O=C([O-])C1=CSC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)=N1	REAL300005317500	0	42	0.0	-76.42	335.70	5.89	-70.53
CC1=[NH+]C=CN1CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317502	1	40	0.0	-73.76	339.98	6.39	-67.37
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317504	0	49	0.0	-80.18	383.58	5.44	-74.74
CC1CC[NH+](CC(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300005317523	0	48	0.0	-77.40	374.50	7.29	-70.11
CC[N@@H+]1CCOC(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300005317534	1	46	0.0	-93.24	363.15	5.71	-87.53
CC[N@H+]1CCOC(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300005317534	1	46	0.0	-82.00	362.22	5.68	-76.32
O=C([O-])C1=CSC(N2CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)CC2)=N1	REAL300005317566	0	55	0.0	-83.73	416.37	8.69	-75.04
O=C([O-])C1=CSC(N2CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)CC2)=N1	REAL300005317566	1	55	0.0	-77.06	414.61	8.59	-68.47
C[N@@H+]1CCCC1CCC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317571	0	48	0.0	-78.81	378.98	7.34	-71.47
C[N@H+]1CCCC1CCC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317571	1	48	0.0	-77.82	375.35	7.19	-70.63
O=C([O-])C1=CSC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)=N1	REAL300005317582	0	49	0.0	-77.47	359.75	6.46	-71.01
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317584	0	46	0.0	-75.40	351.46	2.35	-73.05
C[N@H+]1CC(O)CC1(C)C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317584	1	46	0.0	-74.32	348.54	1.88	-72.44
O=C([O-])C1=CSC(N2CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)=N1	REAL300005317585	0	49	0.0	-72.43	371.30	7.24	-65.19
O=C([O-])C1=CSC(N2CCN(C(=O)C3CCC4CCCC[N@H+]43)CC2)=N1	REAL300005317585	1	49	0.0	-71.92	371.72	7.28	-64.64
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317592	0	52	0.0	-76.43	382.43	5.29	-71.14
CC[NH+](CC)CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317607	0	44	0.0	-75.43	343.13	5.86	-69.57
CC(C)[NH+]1CCC(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300005317609	0	51	0.0	-86.28	389.16	7.51	-78.77
O=C([O-])C1=CSC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)=N1	REAL300005317686	0	43	0.0	-90.60	332.84	4.93	-85.67
CCC(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[NH+](C)C	REAL300005317689	0	44	0.0	-74.04	337.01	5.69	-68.35
O=C([O-])C1=CSC(N2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)=N1	REAL300005317697	0	46	0.0	-77.30	345.40	5.66	-71.64
O=C([O-])C1=CSC(N2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)=N1	REAL300005317697	1	46	0.0	-79.27	342.60	5.53	-73.74
CC1CCC(C)[NH+]1CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317740	0	48	0.0	-72.71	368.46	6.68	-66.03
C[NH+](C)CC1=CC=CC(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)=C1	REAL300005317741	0	48	0.0	-78.45	389.97	7.99	-70.46
C[NH+](C)C1(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CCC1	REAL300005317773	0	45	0.0	-73.79	335.76	5.77	-68.02
C#CC[NH+]1CCC(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300005317795	0	47	0.0	-90.00	380.02	7.52	-82.48
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317797	0	51	0.0	-73.42	380.12	7.31	-66.11
CCC[N@H+]1CCCCC1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317797	1	51	0.0	-74.54	383.50	7.43	-67.11
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317798	0	48	0.0	-71.27	387.19	8.01	-63.26
CC[NH+]1CCN(CCC(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300005317800	0	53	0.0	-77.23	410.16	5.50	-71.73
CCN1CC[NH+](CCC(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300005317800	1	53	0.0	-79.40	410.21	5.52	-73.88
CC(C)[N@H+](C)CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317801	0	44	0.0	-74.82	346.02	6.00	-68.82
CC(C)[N@@H+](C)CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317801	1	44	0.0	-74.81	345.97	5.97	-68.84
CC(C)C(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[NH+]1CCCCC1	REAL300005317802	0	54	0.0	-71.47	395.84	8.20	-63.27
C[NH+](C)C(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)C1=CC=CC=C1	REAL300005317803	1	48	0.0	-73.95	382.82	8.04	-65.91
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317810	1	49	0.0	-71.14	397.01	7.98	-63.16
O=C([O-])C1=CSC(N2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)=N1	REAL300005317816	0	52	0.0	-72.10	395.20	8.12	-63.98
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CC[N@H+](CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)C1CC1	REAL300005317818	0	45	0.0	-73.57	360.65	6.86	-66.71
CC[N@@H+](CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)C1CC1	REAL300005317818	1	45	0.0	-74.39	358.00	6.79	-67.60
CC(C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1)[NH+]1CCCCCC1	REAL300005317838	0	51	0.0	-72.73	380.58	7.19	-65.54
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317841	0	42	0.0	-73.79	331.76	5.55	-68.24
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317841	1	42	0.0	-75.33	330.06	5.31	-70.02
CC(C)(C)[NH2+]CC(=O)N1CCN(C2=NC(C(=O)[O-])=CS2)CC1	REAL300005317904	0	44	0.0	-76.46	350.55	4.52	-71.94
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)O1	REAL300005317905	0	51	0.0	-87.03	407.69	7.91	-79.12
O=C([O-])C1=CSC(N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)=N1	REAL300005317906	0	51	0.0	-77.57	402.93	8.17	-69.40
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CC[N@@H+]1CCOC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005320942	1	55	0.0	-88.60	427.29	9.04	-79.56
CC[N@H+]1CCOC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005320942	1	55	0.0	-59.64	421.05	8.93	-50.71
C[N@@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300005320962	0	57	0.0	-81.14	439.41	10.83	-70.31
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CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)CC1	REAL300005320980	0	60	0.0	-73.02	449.08	11.04	-61.98
O=C([O-])C1(NC(=O)C23CC[NH+](CC2)C3)CC(COCC2=CC=CC=C2)C1	REAL300005321022	0	52	0.0	-79.20	403.65	8.86	-70.34
CCC(C(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1)[NH+](C)C	REAL300005321025	0	53	0.0	-61.49	402.28	9.15	-52.34
O=C([O-])C1(NC(=O)C23CC[N@H+](C2)CCC3)CC(COCC2=CC=CC=C2)C1	REAL300005321030	0	55	0.0	-73.90	415.32	9.63	-64.27
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C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)=C1	REAL300005321055	0	57	0.0	-84.21	450.32	11.81	-72.40
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)CC1	REAL300005321084	0	56	0.0	-78.98	443.60	11.29	-67.69
CC(C)[N@H+](C)CC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300005321085	0	53	0.0	-64.49	406.54	9.44	-55.05
CC(C)[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300005321085	1	53	0.0	-63.54	406.55	9.44	-54.10
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300005321089	1	58	0.0	-68.76	457.54	11.47	-57.29
CC[N@H+](CC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1)C1CC1	REAL300005321094	0	54	0.0	-57.97	422.43	10.36	-47.61
CC[N@@H+](CC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1)C1CC1	REAL300005321094	1	54	0.0	-64.46	418.49	10.20	-54.26
CC(C(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1)[NH+]1CCCCCC1	REAL300005321107	0	60	0.0	-57.12	443.07	10.79	-46.33
C[N@@H+]1CCC[C@H]1C(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300005321110	0	51	0.0	-60.06	398.93	9.46	-50.60
C[N@H+]1CCC[C@H]1C(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300005321110	1	51	0.0	-62.32	388.30	8.66	-53.66
CC(C)(C)[NH2+]CC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300005321146	0	53	0.0	-59.80	412.79	8.16	-51.64
O=C(CCCC[NH+]1CCCC1)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300005321147	0	60	0.0	-79.72	463.45	11.63	-68.09
C[N@H+](CC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1)CC1=CC=CC=C1	REAL300005321149	1	57	0.0	-69.91	448.78	11.83	-58.08
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1)CC1=CC=CC=C1	REAL300005321149	1	57	0.0	-64.69	450.49	11.92	-52.77
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)=NO1	REAL300005321174	1	53	0.0	-82.92	432.95	9.49	-73.43
CC(C)[N@@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300005321183	0	57	0.0	-59.54	432.65	10.43	-49.11
CC(C)[N@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300005321183	1	57	0.0	-67.51	417.17	10.70	-56.81
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)CC1	REAL300005321193	0	58	0.0	-83.13	453.79	10.14	-72.99
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005321268	0	60	0.0	-72.27	455.70	11.36	-60.91
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005321268	1	60	0.0	-67.73	457.58	11.44	-56.29
O=C([O-])C1(NC(=O)C[NH+]2CCC(CO)CC2)CC(COCC2=CC=CC=C2)C1	REAL300005321279	1	58	0.0	-66.71	445.54	7.41	-59.30
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005321368	0	60	0.0	-72.54	451.00	11.11	-61.43
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005321368	1	60	0.0	-71.36	450.76	11.13	-60.23
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)N1	REAL300005321381	1	55	0.0	-69.15	442.36	9.60	-59.55
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005321657	0	54	0.0	-79.57	421.66	10.04	-69.53
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)CC1	REAL300005321661	0	60	0.0	-61.65	442.48	10.84	-50.81
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CC(COCC4=CC=CC=C4)C3)=CN21	REAL300005321663	0	52	0.0	-75.09	423.70	11.62	-63.47
CC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005321693	0	57	0.0	-63.66	428.10	10.71	-52.95
CC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005321693	1	57	0.0	-71.92	434.06	10.61	-61.31
C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005321698	0	54	0.0	-59.22	412.19	10.16	-49.06
C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300005321698	1	54	0.0	-71.56	418.28	10.05	-61.51
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)O1	REAL300005321700	1	54	0.0	-85.40	437.35	10.16	-75.24
O=C([O-])C1(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CC(COCC2=CC=CC=C2)C1	REAL300005321707	0	56	0.0	-72.14	429.35	10.96	-61.18
O=C([O-])C1(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CC(COCC2=CC=CC=C2)C1	REAL300005321707	1	56	0.0	-71.12	426.32	11.45	-59.67
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1(O)CCCCC1	REAL300005321785	0	56	0.0	-48.90	380.06	6.50	-42.40
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1(O)CCCCC1	REAL300005321785	1	56	0.0	-48.36	386.25	6.52	-41.84
COCCC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005321875	0	50	0.0	-47.77	366.52	7.80	-39.97
COCCC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005321875	1	50	0.0	-44.55	359.90	7.32	-37.23
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=C(Cl)C(F)=C3C2)C1	REAL300005321983	0	44	0.0	-46.54	347.50	9.72	-36.82
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=C(Cl)C(F)=C3C2)C1	REAL300005321983	1	44	0.0	-48.22	354.99	10.16	-38.06
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C(Br)N3C=CC=CC3=N2)C1	REAL300005322100	0	43	0.0	-50.69	364.20	8.35	-42.34
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C(Br)N3C=CC=CC3=N2)C1	REAL300005322100	1	43	0.0	-49.33	358.03	8.33	-41.00
CC1=CC(F)=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300005322176	1	43	0.0	-47.91	334.95	8.64	-39.27
CC1=CC(F)=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300005322176	1	43	0.0	-46.48	327.98	8.64	-37.84
COCC(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C	REAL300005322251	0	52	0.0	-48.95	378.84	6.95	-42.00
COCC(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C	REAL300005322251	1	52	0.0	-49.53	379.90	6.96	-42.57
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300005322350	0	46	0.0	-50.20	387.91	9.30	-40.90
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300005322350	1	46	0.0	-47.61	381.70	9.28	-38.33
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC(Cl)=CC(F)=C3C2)C1	REAL300005322530	0	44	0.0	-45.45	348.07	9.74	-35.71
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC(Cl)=CC(F)=C3C2)C1	REAL300005322530	1	44	0.0	-45.59	349.24	10.18	-35.41
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC(COCC3=CC=CC=C3)C2)C1	REAL300005322664	0	54	0.0	-47.06	412.49	9.13	-37.93
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC(COCC3=CC=CC=C3)C2)C1	REAL300005322664	1	54	0.0	-49.48	419.88	9.57	-39.91
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C3OCOC3=C2)CC2CC2)C1	REAL300005322783	0	53	0.0	-49.78	407.10	10.70	-39.08
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C3OCOC3=C2)CC2CC2)C1	REAL300005322783	1	53	0.0	-48.57	410.26	10.60	-37.97
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322820	0	49	0.0	-73.07	353.29	9.51	-63.56
CN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322821	0	53	0.0	-78.40	384.34	9.79	-68.61
CN(C(=O)C1=CC=CC(C(=O)[O-])=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322822	0	49	0.0	-64.83	354.86	9.54	-55.29
CN(C(=O)C1=CC=C(C(=O)[O-])S1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322823	0	46	0.0	-70.46	345.78	8.56	-61.90
CN(C(=O)C1=CC=CC(C(=O)[O-])=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322824	0	48	0.0	-60.65	351.69	8.78	-51.87
CC(SC1=CC=CC=C1C(=O)N(C)C1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300005322825	0	56	0.0	-77.33	412.68	11.36	-65.97
CCOC1=CC(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)=CC=C1OCC(=O)[O-]	REAL300005322826	0	60	0.0	-77.71	436.52	10.46	-67.25
CN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322827	0	55	0.0	-75.87	402.44	11.38	-64.49
CN(C(=O)C1=CC=NC(C(=O)[O-])=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322828	0	48	0.0	-82.86	350.20	7.75	-75.11
CN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322829	0	53	0.0	-75.80	390.07	11.08	-64.72
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322830	0	51	0.0	-72.74	381.44	10.17	-62.57
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322831	0	51	0.0	-72.74	381.44	10.17	-62.57
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)C=C1	REAL300005322832	0	59	0.0	-78.59	427.36	11.05	-67.54
CN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322833	0	56	0.0	-76.27	409.81	10.57	-65.70
CN(C(=O)C1=CC=C(C(=O)[O-])O1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322834	0	46	0.0	-62.82	340.17	8.34	-54.48
CN(C(=O)CCC1=CC=CC=C1C(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322835	0	55	0.0	-69.55	393.90	11.11	-58.44
CC1=CC(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300005322836	0	59	0.0	-74.81	428.81	11.33	-63.48
CN(C(=O)CC1=CC=CC(C(=O)[O-])=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322837	0	52	0.0	-79.88	381.04	10.56	-69.32
CN(C(=O)C1CCCC(C(=O)[O-])C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322838	0	55	0.0	-87.74	371.10	9.64	-78.10
CN(C(=O)C1=CC=C(C(=O)[O-])N=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322839	0	48	0.0	-76.35	350.50	7.76	-68.59
CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322840	0	48	0.0	-64.20	350.98	8.78	-55.42
CN(C(=O)CC(C)(C)CC(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322841	0	54	0.0	-70.23	365.55	9.33	-60.90
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1F)C1CC[NH+](C(C)(C)C)CC1	REAL300005322842	0	49	0.0	-72.72	358.37	9.57	-63.15
CN(C(=O)C1=CN=C(C(=O)[O-])C=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322843	0	47	0.0	-67.02	346.82	6.90	-60.12
CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322844	0	55	0.0	-71.23	376.26	9.79	-61.44
CN(C(=O)C1CCC(C(=O)[O-])CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322845	0	55	0.0	-73.94	369.74	9.65	-64.29
CN(C(=O)CC1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322846	0	52	0.0	-81.70	381.04	10.57	-71.13
CN(C(=O)CN1C=C(C(=O)[O-])N=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322847	0	48	0.0	-83.43	358.20	6.51	-76.92
CC1=NC(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)=CC=C1C(=O)[O-]	REAL300005322848	0	51	0.0	-64.56	367.56	9.26	-55.30
CN(C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322849	0	49	0.0	-76.21	373.69	10.10	-66.11
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322850	0	49	0.0	-73.07	353.29	9.51	-63.56
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322851	0	52	0.0	-77.40	361.64	9.29	-68.11
CN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322852	0	52	0.0	-75.73	374.57	10.26	-65.47
CN(C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322853	0	59	0.0	-78.06	424.09	13.74	-64.32
CN(C(=O)C1=C(CC(=O)[O-])OC=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322854	0	49	0.0	-76.92	358.12	8.55	-68.37
CC1=COC(CC(=O)[O-])=C1C(=O)N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322855	0	52	0.0	-73.93	386.04	9.40	-64.53
CN(C(=O)C1=CC(C(=O)[O-])=CC=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322856	0	48	0.0	-71.77	351.15	8.82	-62.95
CN(C(=O)C12CC(C(=O)[O-])(C1)C2)C1CC[NH+](C(C)(C)C)CC1	REAL300005322857	0	50	0.0	-70.86	354.53	9.21	-61.65
CN(C(=O)CC1CCC(C(=O)[O-])CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322858	0	58	0.0	-76.43	401.17	10.84	-65.59
CN(C(=O)C12CCC(C(=O)[O-])(CC1)C2)C1CC[NH+](C(C)(C)C)CC1	REAL300005322859	0	56	0.0	-80.06	381.90	9.97	-70.09
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CC[NH+](C(C)(C)C)CC1	REAL300005322860	0	59	0.0	-73.62	388.70	10.09	-63.53
CN(C(=O)CC(C)(C)CC(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322861	0	54	0.0	-70.23	365.55	9.33	-60.90
CN(C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1CC[NH+](C(C)(C)C)CC1	REAL300005322862	0	51	0.0	-87.14	384.81	8.57	-78.57
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322863	0	56	0.0	-74.77	412.00	10.20	-64.57
CN(C(=O)C1=NOC(C(=O)[O-])=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322864	0	45	0.0	-63.22	334.60	7.76	-55.46
CN(C(=O)C1(C(=O)[O-])CCCC1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322865	0	52	0.0	-58.60	351.94	9.05	-49.55
CN(C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1CC[NH+](C(C)(C)C)CC1	REAL300005322866	0	62	0.0	-71.12	435.38	12.79	-58.33
CC1=C(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)C=C(C(=O)[O-])O1	REAL300005322867	0	49	0.0	-66.99	354.55	8.74	-58.25
CC1=C(C(=O)[O-])OC(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)=C1	REAL300005322868	0	49	0.0	-63.12	358.54	8.91	-54.21
CN(C(=O)CN1C=C(C(=O)[O-])C=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322869	0	49	0.0	-79.75	363.12	7.99	-71.76
CN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322870	0	50	0.0	-65.59	373.29	9.57	-56.02
CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322871	0	56	0.0	-55.37	380.30	10.15	-45.22
CN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322872	0	53	0.0	-73.05	383.37	9.78	-63.27
CN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322873	0	58	0.0	-80.57	423.02	10.37	-70.20
CN(C(=O)CCSCC(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322874	0	49	0.0	-69.26	366.23	9.09	-60.17
CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322875	0	48	0.0	-64.20	350.98	8.78	-55.42
CN(C(=O)C1=CC(C(=O)[O-])=NN1C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322876	0	49	0.0	-72.25	353.74	7.23	-65.02
C[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)O[C@H]1C(=O)[O-]	REAL300005322877	0	53	0.0	-78.06	375.18	9.25	-68.81
CN(C(=O)C(C)(C)CCC(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322878	0	54	0.0	-82.49	363.06	8.77	-73.72
CN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322879	0	52	0.0	-69.94	374.55	10.27	-59.67
CN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322880	0	53	0.0	-74.69	384.45	10.78	-63.91
CN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322881	0	50	0.0	-72.66	374.58	9.32	-63.34
CN(C(=O)C1=CC=CC=C1CCC(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322882	0	55	0.0	-73.67	393.32	11.04	-62.63
CN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322883	0	52	0.0	-81.28	389.15	5.65	-75.63
CN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322884	0	50	0.0	-69.12	376.15	9.68	-59.44
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322885	0	52	0.0	-77.40	361.64	9.29	-68.11
CC1=CC=C(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)C=C1C(=O)[O-]	REAL300005322886	0	52	0.0	-81.72	368.57	10.02	-71.70
CN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322887	0	48	0.0	-61.88	349.42	7.75	-54.13
CC1=NC=C(C(=O)[O-])C=C1C(=O)N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322888	0	51	0.0	-63.61	369.44	8.32	-55.29
CN(C(=O)CN1C=CC(C(=O)[O-])=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322889	0	49	0.0	-90.02	362.44	8.01	-82.01
CN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322890	0	55	0.0	-89.63	406.06	9.43	-80.20
CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322891	0	56	0.0	-79.62	396.83	9.66	-69.96
CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322892	0	56	0.0	-70.79	398.26	8.66	-62.13
CC1=C(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)OC(C(=O)[O-])=C1	REAL300005322893	0	49	0.0	-63.33	357.91	9.01	-54.32
CN(C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322894	0	57	0.0	-66.81	379.52	11.34	-55.47
CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322895	0	55	0.0	-73.14	364.86	10.34	-62.80
CN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322897	0	56	0.0	-64.64	403.58	11.39	-53.25
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322898	0	56	0.0	-74.77	412.00	10.20	-64.57
CN(C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1CC[NH+](C(C)(C)C)CC1	REAL300005322899	0	56	0.0	-90.35	414.37	11.98	-78.37
CN(C(=O)C1CC2(CC2C(=O)[O-])C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322900	0	53	0.0	-77.22	373.91	11.01	-66.21
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322901	0	55	0.0	-64.97	386.97	9.97	-55.00
CC1=CC=C(C(=O)[O-])C=C1C(=O)N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322902	0	52	0.0	-66.27	373.73	10.12	-56.15
CN(C(=O)C1CC(C)(C(=O)[O-])C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322903	0	52	0.0	-70.95	358.06	9.02	-61.93
CN(C(=O)C1=C(C(=O)[O-])SC=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322904	0	46	0.0	-74.43	343.28	9.47	-64.96
CN(C(=O)C1=CC(C(=O)[O-])=NN1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322905	0	46	0.0	-78.59	335.78	6.40	-72.19
CC1=C(C(=O)[O-])C=NC=C1C(=O)N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322906	0	51	0.0	-70.46	363.87	8.18	-62.28
CC1=CC(C(=O)[O-])=CC=C1C(=O)N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322907	0	52	0.0	-72.70	374.25	10.16	-62.54
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1CC[NH+](C(C)(C)C)CC1	REAL300005322908	0	49	0.0	-71.40	366.63	9.99	-61.41
CN(C(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322909	0	56	0.0	-73.89	395.95	10.68	-63.21
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)=C1	REAL300005322910	0	52	0.0	-58.91	381.44	8.09	-50.82
CN(C(=O)C1=CC=C(C(=O)[O-])N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322911	0	50	0.0	-74.39	353.46	8.78	-65.61
CN(C(=O)C1(C(=O)[O-])CC=CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322912	0	50	0.0	-58.11	343.72	8.89	-49.22
CN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322913	0	55	0.0	-72.12	395.95	11.07	-61.05
CC1=NNC(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)=C1C(=O)[O-]	REAL300005322914	0	49	0.0	-61.43	358.56	6.46	-54.97
CC1=C(C(=O)[O-])C(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)=NN1	REAL300005322914	1	49	0.0	-76.16	351.69	8.10	-68.06
CN(C(=O)CC1(CC(=O)[O-])CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322915	0	52	0.0	-64.99	367.57	9.64	-55.35
CN(C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1CC[NH+](C(C)(C)C)CC1	REAL300005322916	0	53	0.0	-71.08	388.87	10.32	-60.76
CN(C(=O)C1=CSC(C(=O)[O-])=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322917	0	45	0.0	-58.74	343.30	7.63	-51.11
CC1=C(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)C=C(C(=O)[O-])S1	REAL300005322918	0	49	0.0	-65.54	365.83	9.39	-56.15
CN(C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322919	0	49	0.0	-78.51	381.29	9.98	-68.53
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)=C1	REAL300005322920	0	53	0.0	-73.39	394.53	9.18	-64.21
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322921	0	52	0.0	-64.69	380.54	10.14	-54.55
CN(C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322922	0	52	0.0	-85.85	386.64	10.67	-75.18
CN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322923	0	54	0.0	-73.18	389.51	9.35	-63.83
CN(C(=O)C12CC(C(=O)[O-])(C1)CO2)C1CC[NH+](C(C)(C)C)CC1	REAL300005322924	0	51	0.0	-67.21	363.53	7.82	-59.39
CN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322925	0	53	0.0	-75.82	390.07	11.08	-64.74
CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322926	0	56	0.0	-55.37	380.30	10.15	-45.22
CN(C(=O)C1=C(C(=O)[O-])C=NN1C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322927	0	49	0.0	-72.70	363.25	7.34	-65.36
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1CC[NH+](C(C)(C)C)CC1	REAL300005322928	0	50	0.0	-65.31	377.06	9.18	-56.13
CN(C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322929	0	50	0.0	-75.03	377.27	9.29	-65.74
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1CC[NH+](C(C)(C)C)CC1	REAL300005322930	0	50	0.0	-66.76	368.40	8.32	-58.44
CC1=C(C(=O)[O-])C=CC=C1C(=O)N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322931	0	52	0.0	-76.95	368.50	10.05	-66.90
CN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322932	0	52	0.0	-77.12	385.84	9.30	-67.82
C=C1CCC1(C(=O)[O-])C(=O)N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322933	0	50	0.0	-56.87	340.96	8.44	-48.43
CN(C(=O)C1=CC(C(=O)[O-])=CS1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322934	0	46	0.0	-82.61	344.70	8.41	-74.20
CN(C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300005322935	0	54	0.0	-66.05	375.13	8.40	-57.65
CN(C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1CC[NH+](C(C)(C)C)CC1	REAL300005322936	0	55	0.0	-77.07	394.70	11.60	-65.47
CC(C)[C@]1(C(=O)N(C)C2CC[NH+](C(C)(C)C)CC2)C[C@H]1C(=O)[O-]	REAL300005322937	0	55	0.0	-61.53	378.99	9.49	-52.04
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322938	0	55	0.0	-83.13	397.75	11.04	-72.09
CN(C(=O)CC1=CC(C(=O)[O-])=CS1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322939	0	49	0.0	-79.01	372.57	9.71	-69.30
CN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322940	0	52	0.0	-84.43	385.59	10.61	-73.82
CN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1CC[NH+](C(C)(C)C)CC1	REAL300005322941	0	52	0.0	-66.24	362.94	9.40	-56.84
CN(C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1CC[NH+](C(C)(C)C)CC1	REAL300005322942	0	56	0.0	-71.04	400.38	10.92	-60.12
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CC[NH+](C(C)(C)C)CC1	REAL300005322943	0	59	0.0	-73.62	388.70	10.09	-63.53
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCCSCC1	REAL300005322987	0	47	0.0	-45.48	345.61	7.56	-37.92
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CC1C[N@@H+](C)CC(C(=O)NCC(C(=O)[O-])C2CCOC2)O1	REAL300005327027	1	45	0.0	-63.83	343.65	4.67	-59.16
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O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CCOC1	REAL300005327033	1	54	0.0	-57.36	410.69	8.82	-48.54
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C1CCOC1	REAL300005327034	1	50	0.0	-43.27	379.53	6.01	-37.26
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C1CCOC1	REAL300005327034	1	50	0.0	-48.57	378.04	5.96	-42.61
CC(C[NH+]1CCOCC1)C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327039	0	48	0.0	-59.96	360.45	4.06	-55.90
O=C([O-])C(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CCOC1	REAL300005327040	0	55	0.0	-59.27	414.52	6.20	-53.07
CC[N@@H+]1CCOC(C(=O)NCC(C(=O)[O-])C2CCOC2)C1	REAL300005327062	1	45	0.0	-46.23	338.95	4.40	-41.83
CC[N@H+]1CCOC(C(=O)NCC(C(=O)[O-])C2CCOC2)C1	REAL300005327062	1	45	0.0	-43.89	333.03	4.44	-39.45
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC(C(=O)[O-])C2CCOC2)CC1	REAL300005327095	1	54	0.0	-68.08	411.90	6.98	-61.10
O=C([O-])C(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CCOC1	REAL300005327096	0	54	0.0	-58.08	394.74	7.26	-50.82
O=C([O-])C(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C1CCOC1	REAL300005327096	1	54	0.0	-55.94	390.19	7.36	-48.58
O=C([O-])C(CNC(=O)C12CCC[NH+](CCC1)C2)C1CCOC1	REAL300005327115	0	48	0.0	-62.16	342.22	5.70	-56.46
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327119	0	45	0.0	-46.28	337.34	1.45	-44.83
C[N@H+]1CC(O)CC1(C)C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327119	1	45	0.0	-59.34	337.41	1.76	-57.58
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@@H+]21)C1CCOC1	REAL300005327120	0	48	0.0	-47.56	357.09	6.34	-41.22
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@H+]21)C1CCOC1	REAL300005327120	1	48	0.0	-48.24	357.92	6.33	-41.91
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327128	0	51	0.0	-55.51	364.50	4.68	-50.83
CC(C)[N@@H+]1CCC(C(=O)NCC(C(=O)[O-])C2CCOC2)C(C2=CN(C)N=C2)C1	REAL300005327133	0	60	0.0	-67.91	448.24	7.41	-60.50
CC(C)[N@H+]1CCC(C(=O)NCC(C(=O)[O-])C2CCOC2)C(C2=CN(C)N=C2)C1	REAL300005327133	1	60	0.0	-52.67	427.52	6.74	-45.93
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC(C(=O)[O-])C2CCOC2)C=N1	REAL300005327134	0	54	0.0	-68.99	397.81	5.55	-63.44
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC(C(=O)[O-])C2CCOC2)C=N1	REAL300005327134	1	54	0.0	-62.40	399.55	5.94	-56.46
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC(C(=O)[O-])C3CCOC3)=C2)CC1	REAL300005327139	0	56	0.0	-66.53	421.71	6.41	-60.12
C[NH+]1CCN(CC2=CC=C(C(=O)NCC(C(=O)[O-])C3CCOC3)C=C2)CC1	REAL300005327140	0	56	0.0	-68.97	420.45	6.52	-62.45
CN1CC[NH+](CC2=CC=C(C(=O)NCC(C(=O)[O-])C3CCOC3)C=C2)CC1	REAL300005327140	1	56	0.0	-71.07	425.38	6.13	-64.94
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOC2)C=C1	REAL300005327141	0	57	0.0	-68.38	428.47	7.69	-60.69
CC(C)[NH+]1CCC(C(=O)NCC(C(=O)[O-])C2CCOC2)CC1	REAL300005327148	0	50	0.0	-57.77	358.94	6.21	-51.56
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1CCOC1	REAL300005327267	0	58	0.0	-73.86	440.53	5.99	-67.87
C[NH+](C)CC1=CC=CC(C(=O)NCC(C(=O)[O-])C2CCOC2)=C1	REAL300005327271	0	47	0.0	-67.21	363.09	6.98	-60.23
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300005327272	0	54	0.0	-55.26	404.29	8.75	-46.51
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300005327272	1	54	0.0	-60.68	412.25	8.66	-52.02
C#CC[NH+]1CCC(C(=O)NCC(C(=O)[O-])C2CCOC2)CC1	REAL300005327340	0	46	0.0	-60.89	352.94	6.41	-54.48
CCC[N@@H+]1CCCCC1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327342	0	50	0.0	-49.72	355.69	6.41	-43.31
CCC[N@H+]1CCCCC1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327342	1	50	0.0	-47.81	370.50	6.36	-41.45
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327344	0	47	0.0	-47.07	355.52	7.27	-39.80
CC[NH+]1CCN(CCC(=O)NCC(C(=O)[O-])C2CCOC2)CC1	REAL300005327346	0	52	0.0	-61.05	381.79	4.22	-56.83
CCN1CC[NH+](CCC(=O)NCC(C(=O)[O-])C2CCOC2)CC1	REAL300005327346	1	52	0.0	-56.11	382.57	4.10	-52.01
CC(C)C(C(=O)NCC(C(=O)[O-])C1CCOC1)[NH+]1CCCCC1	REAL300005327348	0	53	0.0	-49.24	375.44	7.25	-41.99
C[NH+](C)C(C(=O)NCC(C(=O)[O-])C1CCOC1)C1=CC=CC=C1	REAL300005327349	1	47	0.0	-46.85	358.70	6.94	-39.91
O=C([O-])C(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300005327353	0	52	0.0	-53.50	396.50	4.97	-48.53
O=C([O-])C(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300005327353	1	52	0.0	-52.17	396.89	5.01	-47.16
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327359	1	48	0.0	-54.45	374.55	6.50	-47.95
C[NH+](C)CC1=C(C(=O)NCC(C(=O)[O-])C2CCOC2)OC2=CC=CC=C21	REAL300005327360	0	50	0.0	-59.54	394.42	7.18	-52.36
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C1CCOC1	REAL300005327365	0	51	0.0	-47.30	357.58	6.69	-40.61
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CCCC1)C1CCOC1	REAL300005327365	1	51	0.0	-50.09	369.12	6.97	-43.12
CC(C)C(C(=O)NCC(C(=O)[O-])C1CCOC1)[NH+]1CC(C)OC(C)C1	REAL300005327393	1	57	0.0	-46.65	412.70	5.94	-40.71
CC(C(=O)NCC(C(=O)[O-])C1CCOC1)[NH+]1CCCCCC1	REAL300005327394	0	50	0.0	-46.91	353.74	6.01	-40.90
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(C(=O)[O-])C3CCOC3)=CC=C1N2	REAL300005327429	1	52	0.0	-74.99	402.36	7.31	-67.68
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(C(=O)[O-])C3CCOC3)=CC=C1N2	REAL300005327429	1	52	0.0	-71.96	396.33	7.47	-64.49
CC[NH+](CC)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOC2)O1	REAL300005327487	0	50	0.0	-63.93	380.76	6.40	-57.53
O=C(CCCC[NH+]1CCCC1)NCC(C(=O)[O-])C1CCOC1	REAL300005327488	0	50	0.0	-62.95	381.41	6.73	-56.22
CC1=CC=C(N2CCC(C(=O)NCC(C(=O)[O-])C3CCOC3)CC2)[NH+]=C1	REAL300005327490	1	53	0.0	-60.36	404.12	6.49	-53.87
C[N@H+](CC(=O)NCC(C(=O)[O-])C1CCOC1)CC1=CC=CC=C1	REAL300005327491	1	47	0.0	-52.09	360.34	7.19	-44.90
C[N@@H+](CC(=O)NCC(C(=O)[O-])C1CCOC1)CC1=CC=CC=C1	REAL300005327491	1	47	0.0	-53.55	359.80	7.16	-46.39
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(C(=O)[O-])C3CCOC3)C=C2)CC1	REAL300005327495	0	59	0.0	-67.32	429.85	7.45	-59.87
O=C([O-])C(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CCOC1	REAL300005327510	1	42	0.0	-69.14	344.24	4.94	-64.20
C[NH+](C)CC1=CC(C(=O)NCC(C(=O)[O-])C2CCOC2)=NO1	REAL300005327539	1	43	0.0	-71.09	341.25	4.54	-66.55
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327544	0	54	0.0	-65.94	413.85	8.32	-57.62
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327544	1	54	0.0	-65.59	415.66	8.48	-57.11
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(C(=O)[O-])C2CCOC2)C=C1	REAL300005327568	0	55	0.0	-72.12	431.64	7.80	-64.32
C[NH+]1CCC(OCC(=O)NCC(C(=O)[O-])C2CCOC2)CC1	REAL300005327585	0	48	0.0	-65.46	363.92	5.54	-59.92
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CCOC1	REAL300005327591	0	51	0.0	-65.34	395.17	6.99	-58.35
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC(C(=O)[O-])C2CCOC2)[C@@H](C(F)(F)F)C1	REAL300005327632	0	53	0.0	-51.36	398.85	6.65	-44.71
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(C(=O)[O-])C2CCOC2)[C@@H](C(F)(F)F)C1	REAL300005327632	1	53	0.0	-45.00	397.70	6.77	-38.23
CCC[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOC2)C1	REAL300005327775	0	50	0.0	-52.38	362.30	6.71	-45.67
CCC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOC2)C1	REAL300005327775	1	50	0.0	-58.49	372.95	6.39	-52.10
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327808	0	50	0.0	-51.44	374.83	6.58	-44.86
CC(C)C[N@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005327808	1	50	0.0	-49.51	369.66	6.68	-42.83
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)C1CCOC1	REAL300005327809	0	48	0.0	-52.54	358.73	2.68	-49.86
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1CCOC1	REAL300005327906	0	55	0.0	-63.49	417.95	8.87	-54.62
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1CCOC1	REAL300005327906	1	55	0.0	-62.19	413.35	9.02	-53.17
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C1CCOC1	REAL300005327944	1	54	0.0	-53.20	405.72	8.44	-44.76
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C1CCOC1	REAL300005327944	1	54	0.0	-51.50	414.23	8.59	-42.91
CC(C)[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOC2)C1	REAL300005328032	0	50	0.0	-55.62	368.11	6.17	-49.45
CC(C)[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOC2)C1	REAL300005328032	1	50	0.0	-53.39	362.99	6.25	-47.14
C[N@@H+]1CC(C(=O)NCC(C(=O)[O-])C2CCOC2)C(C(F)(F)F)C1	REAL300005328033	0	44	0.0	-58.21	354.43	5.16	-53.05
C[N@H+]1CC(C(=O)NCC(C(=O)[O-])C2CCOC2)C(C(F)(F)F)C1	REAL300005328033	1	44	0.0	-50.07	348.62	5.31	-44.76
CC1=C(C)[NH+]=C(CCC(=O)NCC(C(=O)[O-])C2CCOC2)N1	REAL300005328059	1	45	0.0	-51.81	354.21	4.74	-47.07
C[NH+](C)CCC1=CC=CC(C(=O)NCC(C(=O)[O-])C2CCOC2)=C1	REAL300005328538	0	50	0.0	-69.84	385.58	7.83	-62.01
C[NH+](C)CCOC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOC2)C=C1	REAL300005328545	0	51	0.0	-70.38	397.08	6.63	-63.75
O=C([O-])C(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOC1	REAL300005328634	0	57	0.0	-61.30	424.64	9.43	-51.87
CC1C[N@H+](CC2=CC=C(C(=O)NCC(C(=O)[O-])C3CCOC3)C=C2)CCO1	REAL300005328636	1	55	0.0	-69.64	408.69	7.24	-62.40
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(C(=O)[O-])C3CCOC3)C=C2)CCO1	REAL300005328636	1	55	0.0	-69.83	408.71	7.23	-62.60
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(C(=O)[O-])C2CCOC2)CC1	REAL300005328681	0	50	0.0	-54.64	362.06	6.09	-48.55
CC(C)C[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOC2)C1	REAL300005328748	0	53	0.0	-54.96	384.59	7.28	-47.68
CC(C)C[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOC2)C1	REAL300005328748	1	53	0.0	-54.96	384.59	7.28	-47.68
CN(C)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOC2)O1	REAL300005328754	0	44	0.0	-65.76	348.43	5.21	-60.55
C[NH+](C)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOC2)O1	REAL300005328754	1	44	0.0	-65.76	348.43	5.21	-60.55
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(C(=O)[O-])C2CCOC2)C1	REAL300005328760	0	53	0.0	-63.72	367.60	6.22	-57.50
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(C(=O)[O-])C2CCOC2)C1	REAL300005328760	1	53	0.0	-63.72	367.60	6.22	-57.50
O=C([O-])C(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CCOC1	REAL300005328763	0	46	0.0	-51.04	347.27	6.69	-44.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(CC3=CC=C(O)C=C3)C2)C1	REAL300005328849	0	54	0.0	-46.60	396.25	8.39	-38.21
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(CC3=CC=C(O)C=C3)C2)C1	REAL300005328849	1	54	0.0	-46.60	396.25	8.39	-38.21
CO[C@@H]1C[C@@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2)[N@H+](CC2=CC=CC=C2)C1	REAL300005328901	0	51	0.0	-73.96	402.35	8.77	-65.19
CO[C@@H]1C[C@@H](CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)[N@H+](CC2=CC=CC=C2)C1	REAL300005328902	0	55	0.0	-78.90	433.19	9.00	-69.90
CO[C@@H]1C[C@@H](CNC(=O)C2=CC=CC(C(=O)[O-])=C2)[N@H+](CC2=CC=CC=C2)C1	REAL300005328903	0	51	0.0	-81.35	402.36	8.76	-72.59
CO[C@@H]1C[C@@H](CNC(=O)C2=CC=C(C(=O)[O-])S2)[N@H+](CC2=CC=CC=C2)C1	REAL300005328904	0	48	0.0	-66.66	396.73	7.93	-58.73
CO[C@@H]1C[C@@H](CNC(=O)C2=CC=CC(C(=O)[O-])=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300005328905	0	50	0.0	-60.52	400.21	7.01	-53.51
CO[C@@H]1C[C@@H](CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)[N@H+](CC2=CC=CC=C2)C1	REAL300005328906	0	57	0.0	-77.94	448.24	10.23	-67.71
CO[C@@H]1C[C@@H](CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)[N@@H+](CC2=CC=CC=C2)C1	REAL300005328906	1	57	0.0	-77.94	448.24	10.23	-67.71
CO[C@@H]1C[C@@H](CNC(=O)C2=CC=NC(C(=O)[O-])=C2)[N@H+](CC2=CC=CC=C2)C1	REAL300005328907	0	50	0.0	-84.49	398.24	6.98	-77.51
CO[C@@H]1C[C@@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[N@H+](CC2=CC=CC=C2)C1	REAL300005328908	0	55	0.0	-77.68	436.64	9.92	-67.76
CO[C@@H]1C[C@@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[N@@H+](CC2=CC=CC=C2)C1	REAL300005328908	1	55	0.0	-77.68	436.64	9.92	-67.76
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CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1CC[NH+](C2CC2)CC1	REAL300005329390	0	51	0.0	-75.75	391.10	10.06	-65.69
CN(C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1CC[NH+](C2CC2)CC1	REAL300005329391	0	57	0.0	-72.77	413.42	12.60	-60.17
CC1=C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)C=C(C(=O)[O-])O1	REAL300005329392	0	44	0.0	-68.41	336.88	8.73	-59.68
CC1=C(C(=O)[O-])OC(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=C1	REAL300005329393	0	44	0.0	-64.58	341.00	8.93	-55.65
CN(C(=O)CN1C=C(C(=O)[O-])C=N1)C1CC[NH+](C2CC2)CC1	REAL300005329394	0	44	0.0	-81.43	341.15	7.79	-73.64
CN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C1CC[NH+](C2CC2)CC1	REAL300005329395	0	45	0.0	-66.87	356.20	9.57	-57.30
CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1CC[NH+](C2CC2)CC1	REAL300005329396	0	51	0.0	-57.16	358.31	9.95	-47.21
CN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005329397	0	48	0.0	-74.71	361.43	9.58	-65.13
CN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1CC[NH+](C2CC2)CC1	REAL300005329398	0	53	0.0	-81.79	406.02	10.38	-71.41
CN(C(=O)CCSCC(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005329399	0	44	0.0	-70.93	344.26	8.89	-62.04
CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C1CC[NH+](C2CC2)CC1	REAL300005329400	0	43	0.0	-65.61	333.72	8.76	-56.85
CN(C(=O)C1=CC(C(=O)[O-])=NN1C)C1CC[NH+](C2CC2)CC1	REAL300005329401	0	44	0.0	-74.18	333.42	7.02	-67.16
C[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](C3CC3)CC2)O[C@H]1C(=O)[O-]	REAL300005329402	0	48	0.0	-80.92	350.76	8.94	-71.98
CN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005329403	0	47	0.0	-71.69	352.61	10.07	-61.62
CN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005329404	0	48	0.0	-76.33	362.52	10.59	-65.74
CN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C1CC[NH+](C2CC2)CC1	REAL300005329405	0	45	0.0	-73.71	357.02	9.33	-64.38
CN(C(=O)C1=CC=CC=C1CCC(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005329406	0	50	0.0	-75.18	371.33	10.83	-64.35
CN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C1CC[NH+](C2CC2)CC1	REAL300005329407	0	47	0.0	-83.14	367.18	5.45	-77.69
CN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C1CC[NH+](C2CC2)CC1	REAL300005329408	0	45	0.0	-70.38	358.59	9.70	-60.68
CC1=CC=C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)C=C1C(=O)[O-]	REAL300005329409	0	47	0.0	-83.41	346.60	9.82	-73.59
CN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C1CC[NH+](C2CC2)CC1	REAL300005329410	0	43	0.0	-63.01	327.68	7.55	-55.46
CC1=NC=C(C(=O)[O-])C=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005329411	0	46	0.0	-64.68	347.00	8.14	-56.54
CN(C(=O)CN1C=CC(C(=O)[O-])=N1)C1CC[NH+](C2CC2)CC1	REAL300005329412	0	44	0.0	-91.46	340.49	7.82	-83.64
CN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C1CC[NH+](C2CC2)CC1	REAL300005329413	0	50	0.0	-91.30	384.10	9.23	-82.07
CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1CC[NH+](C2CC2)CC1	REAL300005329414	0	51	0.0	-81.36	374.62	9.47	-71.89
CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1CC[NH+](C2CC2)CC1	REAL300005329415	0	51	0.0	-74.40	376.10	8.42	-65.98
CC1=C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)OC(C(=O)[O-])=C1	REAL300005329416	0	44	0.0	-65.02	336.39	8.81	-56.21
CN(C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005329417	0	52	0.0	-69.08	362.06	11.32	-57.76
CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005329418	0	50	0.0	-75.34	340.85	10.05	-65.29
CN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1CC[NH+](C2CC2)CC1	REAL300005329420	0	51	0.0	-65.18	378.88	11.22	-53.96
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1CC[NH+](C2CC2)CC1	REAL300005329421	0	51	0.0	-75.75	391.10	10.06	-65.69
CN(C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1CC[NH+](C2CC2)CC1	REAL300005329422	0	51	0.0	-91.98	392.44	11.78	-80.20
CN(C(=O)C1CC2(CC2C(=O)[O-])C1)C1CC[NH+](C2CC2)CC1	REAL300005329423	0	48	0.0	-74.48	355.04	10.00	-64.48
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005329424	0	50	0.0	-66.21	369.47	9.97	-56.24
CC1=CC=C(C(=O)[O-])C=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005329425	0	47	0.0	-66.94	355.95	10.20	-56.74
CN(C(=O)C1=C(C(=O)[O-])SC=C1)C1CC[NH+](C2CC2)CC1	REAL300005329426	0	41	0.0	-76.54	321.33	9.25	-67.29
CC1=C(C(=O)[O-])C=NC=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005329427	0	46	0.0	-72.17	341.92	7.98	-64.19
CC1=CC(C(=O)[O-])=CC=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005329428	0	47	0.0	-74.53	352.31	9.96	-64.57
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1CC[NH+](C2CC2)CC1	REAL300005329429	0	44	0.0	-72.71	347.84	9.83	-62.88
CN(C(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1CC[NH+](C2CC2)CC1	REAL300005329430	0	51	0.0	-75.49	373.97	10.49	-65.00
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=C1	REAL300005329431	0	47	0.0	-60.81	359.47	7.89	-52.92
CN(C(=O)C1=CC=C(C(=O)[O-])N1C)C1CC[NH+](C2CC2)CC1	REAL300005329432	0	45	0.0	-76.10	332.02	8.58	-67.52
CN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005329433	0	50	0.0	-73.84	374.01	10.87	-62.97
CC1=NNC(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=C1C(=O)[O-]	REAL300005329434	0	44	0.0	-63.74	336.60	6.26	-57.48
CC1=C(C(=O)[O-])C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=NN1	REAL300005329434	1	44	0.0	-78.21	330.17	7.88	-70.33
CN(C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1CC[NH+](C2CC2)CC1	REAL300005329435	0	48	0.0	-76.62	362.78	10.80	-65.82
CN(C(=O)C1=CSC(C(=O)[O-])=N1)C1CC[NH+](C2CC2)CC1	REAL300005329436	0	40	0.0	-60.63	321.34	7.44	-53.19
CC1=C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)C=C(C(=O)[O-])S1	REAL300005329437	0	44	0.0	-67.41	343.88	9.19	-58.22
CN(C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1CC[NH+](C2CC2)CC1	REAL300005329438	0	44	0.0	-80.20	358.81	9.78	-70.42
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=C1	REAL300005329439	0	48	0.0	-74.84	373.43	8.99	-65.85
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005329440	0	47	0.0	-66.46	358.58	9.94	-56.52
CN(C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1CC[NH+](C2CC2)CC1	REAL300005329441	0	47	0.0	-87.53	364.69	10.47	-77.06
CN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005329442	0	49	0.0	-75.31	372.37	9.36	-65.95
CN(C(=O)C12CC(C(=O)[O-])(C1)CO2)C1CC[NH+](C2CC2)CC1	REAL300005329443	0	46	0.0	-68.71	346.54	7.78	-60.93
CN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005329444	0	48	0.0	-77.44	368.10	10.88	-66.56
CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1CC[NH+](C2CC2)CC1	REAL300005329445	0	51	0.0	-57.16	358.31	9.95	-47.21
CN(C(=O)C1=C(C(=O)[O-])C=NN1C)C1CC[NH+](C2CC2)CC1	REAL300005329446	0	44	0.0	-73.36	341.28	7.04	-66.32
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1CC[NH+](C2CC2)CC1	REAL300005329447	0	45	0.0	-66.88	355.21	8.98	-57.90
CN(C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1CC[NH+](C2CC2)CC1	REAL300005329448	0	45	0.0	-76.62	355.41	9.10	-67.52
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1CC[NH+](C2CC2)CC1	REAL300005329449	0	45	0.0	-68.35	346.55	8.12	-60.23
CC1=C(C(=O)[O-])C=CC=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005329450	0	47	0.0	-78.03	350.59	10.10	-67.93
CN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1CC[NH+](C2CC2)CC1	REAL300005329451	0	47	0.0	-78.76	363.89	9.11	-69.65
CN(C(=O)C1=CC(C(=O)[O-])=CS1)C1CC[NH+](C2CC2)CC1	REAL300005329452	0	41	0.0	-84.40	322.75	8.21	-76.19
CN(C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005329453	0	49	0.0	-67.64	353.16	8.19	-59.45
CN(C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1CC[NH+](C2CC2)CC1	REAL300005329454	0	50	0.0	-78.77	371.97	11.40	-67.37
CC(C)[C@]1(C(=O)N(C)C2CC[NH+](C3CC3)CC2)C[C@H]1C(=O)[O-]	REAL300005329455	0	50	0.0	-63.88	355.31	9.31	-54.57
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005329456	0	50	0.0	-84.78	375.81	10.85	-73.93
CN(C(=O)CC1=CC(C(=O)[O-])=CS1)C1CC[NH+](C2CC2)CC1	REAL300005329457	0	44	0.0	-80.03	355.05	9.72	-70.31
CN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1CC[NH+](C2CC2)CC1	REAL300005329458	0	47	0.0	-86.03	363.63	10.41	-75.62
CN(C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1CC[NH+](C2CC2)CC1	REAL300005329459	0	51	0.0	-72.88	378.43	10.72	-62.16
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CC[NH+](C2CC2)CC1	REAL300005329460	0	54	0.0	-74.59	371.10	10.09	-64.50
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC(F)=CC(Cl)=C3C2)C1	REAL300005329537	0	44	0.0	-45.34	346.57	9.68	-35.66
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC(F)=CC(Cl)=C3C2)C1	REAL300005329537	1	44	0.0	-45.62	347.74	10.11	-35.51
CC1=CC=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=C1F	REAL300005329666	0	47	0.0	-46.24	359.11	10.30	-35.94
CC1=CC=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=C1F	REAL300005329666	1	47	0.0	-44.52	351.61	9.86	-34.66
CC(C)C1=CC=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005329790	0	52	0.0	-47.62	393.81	10.18	-37.44
CC(C)C1=CC=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005329790	1	52	0.0	-48.18	394.98	10.21	-37.97
COC1=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300005329912	0	49	0.0	-50.57	378.27	7.31	-43.26
COC1=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300005329912	1	49	0.0	-49.56	384.47	7.33	-42.23
CC(C)(C)N1C=NC=C1C1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005330058	0	59	0.0	-51.96	420.17	11.31	-40.65
CC(C)(C)N1C=NC=C1C1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005330058	1	59	0.0	-48.59	412.72	10.85	-37.74
CN(CC1=CC=NC2=CC=CC=C12)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005330181	0	48	0.0	-53.98	363.93	10.42	-43.56
CN(CC1=CC=NC2=CC=CC=C12)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005330181	1	48	0.0	-55.33	363.94	10.40	-44.93
CN(C[C@]12CCC[C@H]1OCC2)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005330298	0	51	0.0	-45.97	356.14	7.66	-38.31
CN(C[C@]12CCC[C@H]1OCC2)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005330298	1	51	0.0	-50.07	362.47	8.05	-42.02
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC(OC)=CC(OC)=C1	REAL300005330408	0	54	0.0	-49.31	406.39	7.46	-41.85
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC(OC)=CC(OC)=C1	REAL300005330408	1	54	0.0	-49.13	400.79	7.51	-41.62
CC1=CC(F)=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300005330524	0	47	0.0	-44.46	353.91	10.34	-34.12
CC1=CC(F)=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300005330524	1	47	0.0	-44.45	352.71	9.90	-34.55
CCC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005330694	0	50	0.0	-49.19	362.39	11.02	-38.17
CCC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005330694	1	50	0.0	-49.82	363.12	11.07	-38.75
CC1=CC=C(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300005330873	0	53	0.0	-47.71	393.39	11.64	-36.07
CC1=CC=C(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300005330873	1	53	0.0	-44.81	385.89	11.19	-33.62
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300005332692	0	52	0.0	-59.42	388.61	12.03	-47.39
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CC4)C4=CC=CC=C4C3C(=O)[O-])CN12	REAL300005332716	1	50	0.0	-68.83	382.94	11.81	-57.02
CC(C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])N1CC[NH+](C)CC1	REAL300005332777	1	53	0.0	-64.96	384.19	8.70	-56.26
C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005332807	0	48	0.0	-49.54	354.65	10.65	-38.89
C[N@H+]1CCCC[C@H]1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005332807	1	48	0.0	-42.25	348.12	10.45	-31.80
C[NH+]1CCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005332866	0	48	0.0	-61.92	359.53	10.74	-51.18
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005332893	0	43	0.0	-75.23	349.76	12.53	-62.70
C[NH+](C)CC1(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CCCCC1	REAL300005332919	0	57	0.0	-59.61	389.68	12.18	-47.43
C[N@H+](CCC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CCCCC1	REAL300005332923	0	57	0.0	-54.25	413.81	12.86	-41.39
C[N@@H+](CCC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CCCCC1	REAL300005332923	1	57	0.0	-54.26	413.84	12.87	-41.39
C[N@@H+]1CCCC1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005332935	0	45	0.0	-49.30	336.09	9.92	-39.38
C[N@H+]1CCCC1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005332935	1	45	0.0	-50.23	335.76	9.99	-40.24
C[NH+]1CCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005332979	0	48	0.0	-61.92	359.53	10.74	-51.18
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005332982	0	51	0.0	-74.64	402.51	11.48	-63.16
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005332992	0	59	0.0	-65.35	427.01	11.35	-54.00
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333022	1	49	0.0	-56.91	386.37	12.16	-44.75
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300005333023	1	55	0.0	-65.12	413.67	10.84	-54.28
C[C@@H](C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[NH+](C)C	REAL300005333027	0	44	0.0	-47.78	332.15	9.45	-38.33
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333028	0	45	0.0	-50.17	334.63	9.73	-40.44
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333028	1	45	0.0	-50.12	336.01	9.88	-40.24
C[C@H](C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[NH+](C)C	REAL300005333030	0	44	0.0	-51.50	330.52	9.39	-42.11
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005333061	0	55	0.0	-55.75	415.51	13.46	-42.29
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005333061	1	55	0.0	-55.24	415.06	13.37	-41.87
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005333081	0	59	0.0	-55.66	412.14	11.12	-44.54
CCC(C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[NH+](CC)CC	REAL300005333085	0	53	0.0	-46.58	377.01	11.37	-35.21
CC(C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005333087	0	54	0.0	-47.35	407.18	13.14	-34.21
CC(C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005333087	1	54	0.0	-47.71	407.77	13.16	-34.55
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300005333106	0	50	0.0	-70.51	386.36	10.38	-60.13
CCC[NH+](CCC)CCCC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333109	0	59	0.0	-59.12	437.97	13.47	-45.65
C[N@@H+]1CCOC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005333111	1	46	0.0	-80.41	349.13	9.49	-70.92
C[N@H+]1CCOC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005333111	1	46	0.0	-80.49	349.08	9.49	-71.00
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333118	1	49	0.0	-47.70	381.30	11.82	-35.88
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005333130	0	55	0.0	-72.25	416.42	13.37	-58.88
C[NH+](C)CC1(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333136	0	48	0.0	-60.54	363.38	10.78	-49.76
C[NH+](C)CCCCC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333141	0	50	0.0	-64.22	380.76	11.39	-52.83
CC1=C(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005333158	1	49	0.0	-79.50	389.43	10.64	-68.86
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005333168	1	51	0.0	-75.14	397.10	11.68	-63.46
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300005333169	0	54	0.0	-77.54	414.10	13.07	-64.47
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333174	1	47	0.0	-50.76	365.49	9.63	-41.13
CCC[N@H+](C)CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333181	0	47	0.0	-47.43	354.62	10.61	-36.82
CCC[N@@H+](C)CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333181	1	47	0.0	-47.39	354.72	10.47	-36.92
C[N@H+](CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CCC1	REAL300005333195	0	48	0.0	-46.36	361.77	11.06	-35.30
C[N@@H+](CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CCC1	REAL300005333195	1	48	0.0	-46.40	361.51	11.17	-35.23
CC(C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[NH+]1CCSCC1	REAL300005333215	1	49	0.0	-45.10	372.30	11.11	-33.99
C[N@H+](CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])CC(C)(C)C	REAL300005333218	0	53	0.0	-46.60	385.57	11.78	-34.82
C[N@@H+](CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])CC(C)(C)C	REAL300005333218	1	53	0.0	-46.69	385.17	11.75	-34.94
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333220	0	54	0.0	-50.59	414.63	13.49	-37.10
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333220	1	54	0.0	-50.99	414.56	13.64	-37.35
COCCOCC[N@H+](C)CCC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333221	0	58	0.0	-56.31	443.55	9.88	-46.43
COCCOCC[N@@H+](C)CCC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333221	1	58	0.0	-55.46	443.58	9.89	-45.57
CC[C@@H](C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[NH+](C)C	REAL300005333224	0	47	0.0	-48.14	340.84	9.91	-38.23
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005333226	0	52	0.0	-58.64	375.91	9.25	-49.39
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005333226	1	52	0.0	-58.42	373.28	9.37	-49.05
CCCCCC[N@H+](C)CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333238	0	56	0.0	-48.44	419.11	12.93	-35.51
CCCCCC[N@@H+](C)CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333238	1	56	0.0	-48.38	419.12	12.94	-35.44
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005333253	1	43	0.0	-83.30	349.86	12.59	-70.71
C[N@H+](CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CCSC1	REAL300005333261	0	49	0.0	-49.56	374.75	11.44	-38.12
C[N@@H+](CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CCSC1	REAL300005333261	1	49	0.0	-51.05	374.74	11.43	-39.62
CC(C)[NH+]1CCN(CCC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333275	0	59	0.0	-60.03	430.74	10.43	-49.60
CC(C)N1CC[NH+](CCC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333275	1	59	0.0	-54.11	430.10	10.39	-43.72
CC(C)[NH+]1CCN(CCCC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333276	0	62	0.0	-64.47	452.25	11.23	-53.24
CC(C)N1CC[NH+](CCCC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333276	1	62	0.0	-59.23	448.73	11.00	-48.23
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300005333277	0	52	0.0	-39.29	368.96	11.52	-27.77
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300005333277	1	52	0.0	-41.83	379.95	11.83	-30.00
C[NH+](C)CCN1C=C(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300005333279	0	51	0.0	-76.26	394.24	10.30	-65.96
CC(C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005333288	1	55	0.0	-44.99	411.82	13.54	-31.45
CC(C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005333288	1	55	0.0	-48.12	410.52	13.46	-34.66
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300005333313	0	51	0.0	-95.11	396.89	10.88	-84.23
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333314	0	51	0.0	-63.59	389.47	10.31	-53.28
C[C@@H]1[C@H](C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC[N@@H+]1C	REAL300005333316	0	48	0.0	-50.54	347.20	10.39	-40.15
C[C@@H]1[C@H](C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC[N@H+]1C	REAL300005333316	1	48	0.0	-52.49	352.45	10.51	-41.98
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333317	1	52	0.0	-52.01	401.38	12.47	-39.54
CC[C@@H]1[C@@H](C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC[N@@H+]1C	REAL300005333320	0	51	0.0	-61.32	372.67	10.72	-50.60
CC[C@@H]1[C@@H](C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC[N@H+]1C	REAL300005333320	1	51	0.0	-57.77	372.86	11.06	-46.71
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=NN1	REAL300005333322	1	52	0.0	-84.98	391.03	9.89	-75.09
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=NN1	REAL300005333322	1	52	0.0	-86.61	391.55	10.25	-76.36
CC1C[N@H+](C)CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])O1	REAL300005333327	1	49	0.0	-78.39	370.45	10.11	-68.28
CC1C[N@@H+](C)CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])O1	REAL300005333327	1	49	0.0	-78.90	363.53	10.19	-68.71
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C[NH+]1CCCC1	REAL300005333333	0	45	0.0	-46.52	340.88	10.33	-36.19
CC1=[NH+]C=CN1CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333335	1	43	0.0	-49.61	343.84	10.79	-38.82
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333337	0	52	0.0	-77.73	386.51	9.79	-67.94
CC1CC[NH+](CC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333356	0	51	0.0	-46.23	377.98	11.68	-34.55
CC[N@@H+]1CCOC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005333367	1	49	0.0	-74.08	366.83	10.13	-63.95
CC[N@H+]1CCOC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005333367	1	49	0.0	-36.89	356.88	9.87	-27.02
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005333396	0	58	0.0	-51.89	415.88	12.81	-39.08
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005333396	1	58	0.0	-53.32	420.62	13.06	-40.26
C[N@@H+]1CCCC1CCC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333402	0	51	0.0	-57.98	382.87	11.74	-46.24
C[N@H+]1CCCC1CCC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333402	1	51	0.0	-58.99	377.31	11.30	-47.69
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300005333413	0	52	0.0	-46.41	374.84	11.67	-34.74
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300005333413	1	52	0.0	-42.27	381.77	11.91	-30.36
CC[NH+](CC)CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333432	0	47	0.0	-47.06	347.00	10.28	-36.78
CC(C)[NH+]1CCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333434	0	54	0.0	-60.11	389.96	11.60	-48.51
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C12CC[NH+](CC1)C2	REAL300005333500	0	46	0.0	-59.16	337.06	9.27	-49.89
CCC(C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[NH+](C)C	REAL300005333503	0	47	0.0	-51.61	344.41	10.19	-41.42
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300005333510	0	49	0.0	-53.39	344.90	9.78	-43.61
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300005333510	1	49	0.0	-63.68	346.47	9.90	-53.78
CC1CCC(C)[NH+]1CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333545	0	51	0.0	-43.94	372.47	11.08	-32.86
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=C1	REAL300005333546	0	51	0.0	-57.31	390.76	12.33	-44.98
C#CC[NH+]1CCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333589	0	50	0.0	-62.31	384.46	11.84	-50.47
CC[NH+]1CCN(CCC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333591	0	56	0.0	-62.15	414.00	9.91	-52.24
CCN1CC[NH+](CCC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333591	1	56	0.0	-53.93	414.01	9.91	-44.02
CC(C)[N@H+](C)CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333592	0	47	0.0	-45.45	349.81	10.40	-35.05
CC(C)[N@@H+](C)CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333592	1	47	0.0	-45.50	349.78	10.36	-35.14
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333596	1	52	0.0	-51.69	400.80	12.40	-39.29
CC[N@H+](CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CC1	REAL300005333603	0	48	0.0	-44.36	364.00	11.23	-33.13
CC[N@@H+](CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CC1	REAL300005333603	1	48	0.0	-46.01	361.41	11.18	-34.83
CC(C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[NH+]1CCCCCC1	REAL300005333625	0	54	0.0	-44.60	383.45	11.54	-33.06
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333628	0	45	0.0	-48.94	335.75	9.83	-39.11
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333628	1	45	0.0	-50.22	334.26	9.73	-40.49
CC(C)(C)[NH2+]CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333689	0	47	0.0	-46.96	354.35	8.93	-38.03
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])O1	REAL300005333691	0	54	0.0	-57.27	412.94	12.35	-44.92
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CCCC[NH+]1CCCC1	REAL300005333692	0	54	0.0	-62.46	406.70	12.54	-49.92
C[N@H+](CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])CC1=CC=CC=C1	REAL300005333694	1	51	0.0	-48.83	392.15	12.65	-36.18
C[N@@H+](CC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])CC1=CC=CC=C1	REAL300005333694	1	51	0.0	-48.57	392.02	12.76	-35.81
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005333718	1	46	0.0	-61.86	370.92	10.32	-51.54
C[NH+](C)CC1=CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=NO1	REAL300005333737	1	47	0.0	-76.81	371.75	10.54	-66.27
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333750	0	51	0.0	-48.84	361.96	11.30	-37.54
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300005333750	1	51	0.0	-47.26	370.65	11.00	-36.26
C[NH+]1CCC(OCC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005333765	0	52	0.0	-66.88	395.35	11.37	-55.51
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005333769	0	55	0.0	-62.28	417.46	12.64	-49.64
CCC[N@@H+]1CCCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005333900	0	54	0.0	-75.55	398.48	12.01	-63.54
CCC[N@H+]1CCCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005333900	1	54	0.0	-38.74	387.24	11.86	-26.88
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300005333922	1	52	0.0	-47.51	388.81	8.37	-39.14
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005334080	0	54	0.0	-48.68	381.08	11.73	-36.95
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005334080	1	54	0.0	-43.77	385.97	11.96	-31.81
C[N@@H+]1CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C(C(F)(F)F)C1	REAL300005334081	0	48	0.0	-57.63	363.86	10.75	-46.88
C[N@H+]1CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C(C(F)(F)F)C1	REAL300005334081	1	48	0.0	-61.51	363.00	10.27	-51.24
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])N1	REAL300005334102	1	49	0.0	-51.11	385.63	10.54	-40.57
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=C1	REAL300005334453	0	54	0.0	-61.04	413.30	13.18	-47.86
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300005334459	0	55	0.0	-75.76	420.62	12.01	-63.75
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005334571	0	48	0.0	-56.23	364.86	10.83	-45.40
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300005334575	0	54	0.0	-62.62	385.28	11.82	-50.80
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CC4)C4=CC=CC=C4C3C(=O)[O-])=CN21	REAL300005334579	0	46	0.0	-60.58	371.39	12.32	-48.26
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005334627	0	57	0.0	-54.14	415.96	12.82	-41.32
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005334627	1	57	0.0	-57.12	415.90	12.73	-44.39
CC[N@@H+]1CCCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005334628	0	51	0.0	-59.20	375.08	11.28	-47.92
CC[N@H+]1CCCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005334628	1	51	0.0	-50.70	365.70	11.40	-39.30
C[N@@H+]1CCCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005334633	0	48	0.0	-77.89	359.34	10.61	-67.28
C[N@H+]1CCCC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300005334633	1	48	0.0	-52.87	348.03	10.67	-42.20
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])O1	REAL300005334635	1	48	0.0	-68.62	376.88	10.85	-57.77
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005334643	0	50	0.0	-48.58	375.19	11.75	-36.83
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300005334643	1	50	0.0	-49.44	367.92	11.89	-37.55
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CN(C)C2=CC(Cl)=CC=C12	REAL300005334722	0	50	0.0	-53.45	399.10	10.57	-42.88
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CN(C)C2=CC(Cl)=CC=C12	REAL300005334722	1	50	0.0	-52.75	399.15	10.57	-42.18
CC1=CC(Cl)=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300005334845	0	47	0.0	-43.77	362.72	10.71	-33.06
CC1=CC(Cl)=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300005334845	1	47	0.0	-43.66	361.53	10.27	-33.39
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN3C=C(Cl)C=CC3=N2)C1	REAL300005334974	0	43	0.0	-51.32	360.40	8.42	-42.90
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN3C=C(Cl)C=CC3=N2)C1	REAL300005334974	1	43	0.0	-48.31	354.21	8.40	-39.91
C[NH+](C)CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335413	0	38	0.0	-74.88	320.53	7.46	-67.42
C[N@@H+]1CCCCC1C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335414	0	45	0.0	-75.28	348.27	8.44	-66.84
C[N@H+]1CCCCC1C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335414	1	45	0.0	-72.42	359.08	8.95	-63.47
C[N@@H+]1CCCC[C@H]1C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335424	0	45	0.0	-71.41	358.60	8.98	-62.43
C[N@H+]1CCCC[C@H]1C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335424	1	45	0.0	-74.48	347.01	8.51	-65.97
C[NH+]1CCC(C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)CC1	REAL300005335434	0	45	0.0	-83.19	364.48	9.03	-74.16
C[N@@H+]1CCCC1C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335455	0	42	0.0	-70.88	343.23	8.33	-62.55
C[N@H+]1CCCC1C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335455	1	42	0.0	-71.36	339.16	7.99	-63.37
C[NH+]1CCC(C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)CC1	REAL300005335472	0	45	0.0	-83.19	364.48	9.03	-74.16
C[C@@H](C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005335489	0	41	0.0	-70.05	335.77	7.78	-62.27
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335490	0	42	0.0	-68.42	339.00	7.99	-60.43
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335490	1	42	0.0	-70.68	343.14	8.31	-62.37
C[C@H](C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005335493	0	41	0.0	-70.09	336.69	7.80	-62.29
C[NH+](C)C1(C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)CC1	REAL300005335500	0	42	0.0	-80.80	342.68	8.02	-72.78
C[N@@H+]1CCOC(C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)C1	REAL300005335533	1	43	0.0	-86.19	351.50	7.64	-78.55
C[N@H+]1CCOC(C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)C1	REAL300005335533	1	43	0.0	-83.24	347.01	7.56	-75.68
C[NH+](C)CC1(C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)CC1	REAL300005335539	0	45	0.0	-70.68	368.34	8.98	-61.70
C[NH+](C)CCCCC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335540	0	47	0.0	-79.35	385.90	9.64	-69.71
CC(C)C(C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005335544	0	47	0.0	-68.56	361.19	8.89	-59.67
CCC[N@H+](C)CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335547	0	44	0.0	-74.20	359.73	8.85	-65.35
CCC[N@@H+](C)CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335547	1	44	0.0	-74.62	359.75	8.88	-65.74
C[N@H+](CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)C1CCC1	REAL300005335550	0	45	0.0	-72.47	366.74	9.44	-63.03
C[N@@H+](CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)C1CCC1	REAL300005335550	1	45	0.0	-72.07	366.69	9.44	-62.63
CC[C@@H](C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005335553	0	44	0.0	-70.35	343.61	8.24	-62.11
CCCC(C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005335573	0	47	0.0	-71.27	372.59	9.28	-61.99
C[C@@H]1[C@H](C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)CC[N@@H+]1C	REAL300005335576	0	45	0.0	-77.70	353.02	8.63	-69.07
C[C@@H]1[C@H](C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)CC[N@H+]1C	REAL300005335576	1	45	0.0	-81.29	361.79	8.67	-72.62
O=C([O-])C1=CC(Br)=C2OCCN(C(=O)C[NH+]3CCCC3)CC2=C1	REAL300005335578	0	42	0.0	-73.69	344.66	8.56	-65.13
CC1=[NH+]C=CN1CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335579	1	40	0.0	-69.30	348.94	9.05	-60.25
CC[NH+](CC)CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335595	0	44	0.0	-71.93	356.29	8.82	-63.11
O=C([O-])C1=CC(Br)=C2OCCN(C(=O)C34CC[NH+](CC3)C4)CC2=C1	REAL300005335600	0	43	0.0	-79.21	344.44	7.70	-71.51
CCC(C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005335602	0	44	0.0	-71.48	349.50	8.41	-63.07
C[NH+](C)C1(C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)CCC1	REAL300005335613	0	45	0.0	-80.48	346.08	8.39	-72.09
CC(C)[N@H+](C)CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335616	0	44	0.0	-72.38	354.94	8.65	-63.73
CC(C)[N@@H+](C)CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335616	1	44	0.0	-71.51	355.00	8.66	-62.85
CC[N@H+](CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)C1CC1	REAL300005335620	0	45	0.0	-71.08	369.17	9.51	-61.57
CC[N@@H+](CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)C1CC1	REAL300005335620	1	45	0.0	-73.78	361.88	9.37	-64.41
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335623	0	42	0.0	-73.03	345.85	8.38	-64.65
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335623	1	42	0.0	-75.88	339.00	8.03	-67.85
CC(C)(C)[NH2+]CC(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1	REAL300005335635	0	44	0.0	-72.56	359.49	7.16	-65.40
CC(C)[C@@H](C(=O)N1CCOC2=C(Br)C=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005335637	0	47	0.0	-71.04	363.42	9.08	-61.96
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)C1	REAL300005335756	0	45	0.0	-74.22	369.03	9.18	-65.04
C[N@@H+]1CCCC(C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)C1	REAL300005335762	0	45	0.0	-87.24	364.43	8.99	-78.25
C[N@H+]1CCCC(C(=O)N2CCOC3=C(Br)C=C(C(=O)[O-])C=C3C2)C1	REAL300005335762	1	45	0.0	-65.49	355.62	9.16	-56.33
CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300005335832	0	53	0.0	-43.61	368.64	8.27	-35.34
CC(C)(C)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300005335832	1	53	0.0	-47.96	369.41	8.71	-39.25
CC1CC2=CC=C(F)C=C2CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005335939	0	47	0.0	-49.44	354.03	10.33	-39.11
CC1CC2=CC=C(F)C=C2CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005335939	1	47	0.0	-46.55	346.67	9.89	-36.66
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(OCCO)CCCC2)C1	REAL300005336100	0	51	0.0	-46.39	374.81	3.75	-42.64
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(OCCO)CCCC2)C1	REAL300005336100	1	51	0.0	-47.24	380.69	3.76	-43.48
O=C([O-])C1CCC[N@H+](CC(=O)N2CC[C@@H]3OCCO[C@H]3C2)C1	REAL300005336183	0	46	0.0	-51.32	339.28	5.91	-45.41
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC[C@@H]3OCCO[C@H]3C2)C1	REAL300005336183	1	46	0.0	-47.20	331.77	5.44	-41.76
O=C([O-])C1=CC=C(C(=O)N2CC[NH+](CCC3=CC=C(F)C=C3)CC2)C=C1	REAL300005336215	1	47	0.0	-84.84	377.28	11.33	-73.51
O=C([O-])COC1=CC=CC(C(=O)N2CC[NH+](CCC3=CC=C(F)C=C3)CC2)=C1	REAL300005336216	1	51	0.0	-92.16	407.04	11.55	-80.61
O=C([O-])C1=CC=CC(C(=O)N2CC[NH+](CCC3=CC=C(F)C=C3)CC2)=C1	REAL300005336217	1	47	0.0	-92.21	377.29	11.34	-80.87
O=C([O-])C1=CC=C(CCC(=O)N2CC[NH+](CCC3=CC=C(F)C=C3)CC2)C=C1	REAL300005336220	1	53	0.0	-90.31	423.14	13.17	-77.14
O=C([O-])C1=CC(C(=O)N2CC[NH+](CCC3=CC=C(F)C=C3)CC2)=CC=N1	REAL300005336221	1	46	0.0	-97.49	371.61	9.50	-87.99
O=C([O-])C1=CC=C(C=CC(=O)N2CC[NH+](CCC3=CC=C(F)C=C3)CC2)C=C1	REAL300005336222	1	51	0.0	-91.24	410.03	12.80	-78.44
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CC(CCNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005339648	0	49	0.0	-66.32	389.21	9.36	-56.96
CC(CCNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005339648	1	49	0.0	-67.06	391.04	9.40	-57.66
CC(CCNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005339684	1	49	0.0	-65.08	380.57	9.25	-55.83
CC(CCNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005339684	1	49	0.0	-65.54	370.28	9.08	-56.46
CC(CCNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005339685	1	46	0.0	-67.59	365.12	8.76	-58.83
CC(CCNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005339685	1	46	0.0	-64.74	358.98	8.21	-56.53
CC(CCNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005339725	0	42	0.0	-72.34	343.83	6.63	-65.71
CC(CCNC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300005339730	0	52	0.0	-75.99	407.96	8.76	-67.23
CC(CCNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005339753	0	50	0.0	-72.16	366.39	6.29	-65.87
CC[N@H+](CC1=CC=C(C(=O)NCCC(C)C(=O)[O-])C=C1)C(C)C	REAL300005339768	0	51	0.0	-71.56	378.63	8.96	-62.60
CC[N@@H+](CC1=CC=C(C(=O)NCCC(C)C(=O)[O-])C=C1)C(C)C	REAL300005339768	1	51	0.0	-71.81	372.98	8.70	-63.11
CC(CCNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005339788	0	46	0.0	-67.32	360.37	8.56	-58.76
CC(CCNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005339788	1	46	0.0	-68.43	358.24	8.43	-60.00
CC(CCNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005339789	0	47	0.0	-74.96	355.31	7.67	-67.29
CC(CCNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300005339807	1	51	0.0	-66.62	388.09	7.31	-59.31
CC(CCNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005339808	0	50	0.0	-67.92	352.81	5.93	-61.99
CC(CCNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005339816	0	52	0.0	-63.20	392.08	10.27	-52.93
CC(CCNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005339816	1	52	0.0	-70.50	398.34	10.07	-60.43
CC(CCNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300005339853	1	50	0.0	-61.10	381.71	5.93	-55.17
CC[NH+](CC)C(C(=O)NCCC(C)C(=O)[O-])C1=CC=CC=C1	REAL300005339858	0	48	0.0	-61.40	357.16	8.31	-53.09
CC(CCNC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300005339859	1	42	0.0	-64.67	346.08	8.02	-56.65
CC(CCNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005339871	0	46	0.0	-73.94	356.76	8.58	-65.36
CC(CCNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005339876	0	49	0.0	-70.44	374.39	9.35	-61.09
CCN1CCC([NH+]2CCC(C(=O)NCCC(C)C(=O)[O-])CC2)CC1	REAL300005339882	0	57	0.0	-69.68	409.54	6.96	-62.72
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCCC(C)C(=O)[O-])=C1	REAL300005339884	0	59	0.0	-71.84	454.09	12.72	-59.12
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCCC(C)C(=O)[O-])=C1	REAL300005339884	1	59	0.0	-74.18	457.74	12.70	-61.48
CC(CCNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300005339888	1	53	0.0	-77.84	408.48	8.40	-69.44
CC(CCNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005339898	1	50	0.0	-76.32	381.34	8.47	-67.85
CC(CCNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005339898	1	50	0.0	-75.08	389.01	8.55	-66.53
CC(CCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005339913	0	49	0.0	-61.02	374.17	9.18	-51.84
CC(CCNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005339913	1	49	0.0	-62.01	364.69	9.03	-52.98
CC1=C(C(=O)NCCC(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005339914	1	40	0.0	-76.27	328.85	5.86	-70.41
CC(CCNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005339921	0	49	0.0	-75.04	374.89	9.32	-65.72
CC(CCNC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300005339931	0	59	0.0	-71.62	449.83	12.24	-59.38
CC(CCNC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300005339931	1	59	0.0	-72.50	449.80	12.10	-60.40
CC(CCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005339936	1	47	0.0	-72.71	367.92	8.01	-64.70
CC(CCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005339936	1	47	0.0	-72.75	368.81	8.03	-64.72
CC(CCNC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300005339940	0	56	0.0	-63.04	411.68	10.57	-52.47
CC(CCNC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300005339940	1	56	0.0	-64.71	418.87	10.84	-53.87
CC(CCNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005339948	0	55	0.0	-62.68	407.52	10.36	-52.32
COCCOCC[N@H+](C)CCC(=O)NCCC(C)C(=O)[O-]	REAL300005339969	0	49	0.0	-67.84	382.81	4.63	-63.21
COCCOCC[N@@H+](C)CCC(=O)NCCC(C)C(=O)[O-]	REAL300005339969	1	49	0.0	-68.68	382.85	4.64	-64.04
CC(CCNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005339978	0	54	0.0	-73.45	409.79	8.17	-65.28
CC(CCNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300005339979	1	48	0.0	-65.37	369.15	7.42	-57.95
CC(CCNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300005339979	1	48	0.0	-66.45	359.70	7.29	-59.16
CC(CCNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300005339980	1	48	0.0	-65.76	358.81	7.15	-58.61
CC(CCNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300005339980	1	48	0.0	-65.07	368.24	7.39	-57.68
CC(C)[NH+]1CCN(CCCC(=O)NCCC(C)C(=O)[O-])CC1	REAL300005339998	0	53	0.0	-66.54	390.65	5.97	-60.57
CC(C)N1CC[NH+](CCCC(=O)NCCC(C)C(=O)[O-])CC1	REAL300005339998	1	53	0.0	-69.34	388.65	5.80	-63.54
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCC(C)C(=O)[O-])CC2)=C1	REAL300005340002	0	54	0.0	-72.34	409.69	8.03	-64.31
CC(CCNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005340003	0	51	0.0	-71.63	387.48	7.35	-64.28
CC(CCNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005340006	0	48	0.0	-70.55	369.89	7.42	-63.13
CC(CCNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005340006	1	48	0.0	-70.94	370.63	7.45	-63.49
CC(CCNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005340009	1	46	0.0	-63.94	350.76	8.55	-55.39
CC(CCNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005340009	1	46	0.0	-64.10	353.95	8.38	-55.72
CCC(CC)C(C(=O)NCCC(C)C(=O)[O-])[NH+]1CCOCC1	REAL300005340018	1	52	0.0	-59.89	365.25	6.87	-53.02
CC(CCNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005340032	0	49	0.0	-71.26	377.75	9.16	-62.10
CC(CCNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005340032	1	49	0.0	-71.84	379.49	9.24	-62.60
CC(CCNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005340048	0	49	0.0	-70.65	382.23	9.27	-61.38
CC(CCNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005340048	1	49	0.0	-66.04	375.92	9.47	-56.57
CC(CCNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300005340049	1	45	0.0	-59.11	354.70	7.05	-52.06
CC(CCNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300005340049	1	45	0.0	-60.31	348.25	6.31	-54.00
CC(CCNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005340051	0	50	0.0	-71.35	385.20	6.77	-64.58
CC(CCNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300005340071	1	49	0.0	-76.31	372.22	7.45	-68.86
CC(CCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300005340084	0	54	0.0	-68.77	406.25	8.35	-60.42
CC(CCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300005340084	1	54	0.0	-69.01	407.07	8.14	-60.87
CC(C)[N@@H+]1CCC(C(=O)NCCC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005340086	0	55	0.0	-73.24	404.88	7.49	-65.75
CC(C)[N@H+]1CCC(C(=O)NCCC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005340086	1	55	0.0	-67.67	397.40	7.26	-60.41
CC(CCNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005340087	0	49	0.0	-76.29	371.05	6.39	-69.90
CC(CCNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005340087	1	49	0.0	-71.71	362.59	6.15	-65.56
CC(CCNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300005340090	0	51	0.0	-69.45	391.51	6.92	-62.53
CC(CCNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300005340091	0	51	0.0	-72.03	390.57	6.74	-65.29
CC(CCNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300005340091	1	51	0.0	-75.38	390.91	6.80	-68.58
CC[NH+](CC)CCOC1=CC=C(C(=O)NCCC(C)C(=O)[O-])C=C1	REAL300005340092	0	52	0.0	-73.38	398.63	8.64	-64.74
CC(CCNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300005340128	0	53	0.0	-77.73	406.88	6.68	-71.05
CC(CCNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005340130	0	49	0.0	-66.52	375.82	9.20	-57.32
CC(CCNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005340130	1	49	0.0	-66.83	375.72	9.21	-57.62
CC(CCNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005340175	0	47	0.0	-66.35	368.48	5.45	-60.90
CC(CCNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005340175	1	47	0.0	-65.40	367.88	5.42	-59.98
CC(CCNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300005340178	0	45	0.0	-63.73	360.00	7.85	-55.88
CC[NH+](CC)C(C(=O)NCCC(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300005340180	0	51	0.0	-65.53	395.89	9.31	-56.22
CC(C)C(C(=O)NCCC(C)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005340203	1	52	0.0	-60.59	377.52	7.15	-53.44
CC(CCNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005340221	1	47	0.0	-76.55	366.75	7.92	-68.63
CC(CCNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005340221	1	47	0.0	-76.73	367.64	7.94	-68.79
CC1=CC=C(N2CCC(C(=O)NCCC(C)C(=O)[O-])CC2)[NH+]=C1	REAL300005340265	1	48	0.0	-66.15	369.51	7.11	-59.04
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCC(C)C(=O)[O-])C=C2)CC1	REAL300005340268	0	54	0.0	-73.62	399.97	7.83	-65.79
CC(CCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005340296	0	49	0.0	-69.34	375.79	9.03	-60.31
CC(CCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005340296	1	49	0.0	-72.76	380.02	8.99	-63.77
CC(CCNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005340310	0	50	0.0	-74.70	397.16	8.48	-66.22
CC(CCNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005340322	0	46	0.0	-71.70	361.64	7.72	-63.98
CC(CCNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300005340341	0	48	0.0	-67.86	368.58	7.22	-60.64
CC(CCNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300005340341	1	48	0.0	-63.15	367.53	7.30	-55.85
CC(CCNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005340493	0	50	0.0	-68.83	383.58	9.50	-59.33
CC(CCNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005340493	1	50	0.0	-69.76	384.48	9.48	-60.28
CC(CCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005340520	1	49	0.0	-62.00	379.75	9.23	-52.77
CC(CCNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005340520	1	49	0.0	-66.50	370.30	9.08	-57.42
CC(CCNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005340850	0	46	0.0	-74.04	362.61	7.29	-66.75
CC(CCNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005340899	0	52	0.0	-68.04	393.51	9.93	-58.11
CC(CCNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005340901	1	50	0.0	-76.62	380.18	7.67	-68.95
CC(CCNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005340901	1	50	0.0	-76.76	380.23	7.67	-69.09
CC(CCNC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300005340939	0	58	0.0	-74.24	430.58	10.47	-63.77
CC(CCNC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300005340939	1	58	0.0	-74.24	430.58	10.47	-63.77
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC(F)=CC(F)=C2)C1	REAL300005341074	0	44	0.0	-50.53	359.43	7.17	-43.36
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC(F)=CC(F)=C2)C1	REAL300005341074	1	44	0.0	-50.19	358.79	7.15	-43.04
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C(F)(F)F)C1	REAL300005341157	1	40	0.0	-49.35	313.24	7.88	-41.47
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C(F)(F)F)C1	REAL300005341157	1	40	0.0	-49.14	306.96	7.86	-41.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(Br)C=C3)CC2)C1	REAL300005341249	0	44	0.0	-47.02	353.78	8.81	-38.21
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(Br)C=C3)CC2)C1	REAL300005341249	1	44	0.0	-50.09	361.96	9.57	-40.52
CC(C)(C(=O)[O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300005342164	0	59	0.0	-83.29	433.95	12.65	-70.64
CC(C)(C(=O)[O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300005343329	0	53	0.0	-62.40	390.97	10.59	-51.81
CC1=[NH+]C=C2CCC(C(=O)NC(C3=CC=CC=C3)C(C)(C)C(=O)[O-])CN21	REAL300005343353	1	51	0.0	-59.36	380.44	11.00	-48.36
CC(C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005343419	1	54	0.0	-60.71	391.03	7.86	-52.85
C[N@@H+]1CCCC[C@H]1C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343451	0	49	0.0	-66.33	354.67	8.99	-57.34
C[N@H+]1CCCC[C@H]1C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343451	1	49	0.0	-69.05	344.35	8.93	-60.12
C[NH+]1CCC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC1	REAL300005343518	0	49	0.0	-82.52	361.36	9.22	-73.30
CC(C)(C(=O)[O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CC=C1	REAL300005343545	0	44	0.0	-77.05	346.09	11.11	-65.94
C[NH+](C)CC1(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CCCCC1	REAL300005343575	0	58	0.0	-72.03	387.98	12.07	-59.96
C[N@H+](CCC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])C1CCCCC1	REAL300005343579	0	58	0.0	-55.00	418.60	11.65	-43.35
C[N@@H+](CCC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])C1CCCCC1	REAL300005343579	1	58	0.0	-78.39	414.33	11.19	-67.20
C[N@@H+]1CCCC1C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343592	0	46	0.0	-68.02	337.79	8.30	-59.72
C[N@H+]1CCCC1C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343592	1	46	0.0	-72.37	331.00	8.70	-63.67
C[NH+]1CCC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC1	REAL300005343639	0	49	0.0	-82.52	361.36	9.22	-73.30
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=CC=C1	REAL300005343642	0	52	0.0	-79.07	400.31	10.00	-69.07
CC(C)(C(=O)[O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=CC=C1	REAL300005343653	0	60	0.0	-72.67	414.23	9.58	-63.09
CC1=[NH+]C=CN1CCCC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343685	1	50	0.0	-71.62	383.67	10.29	-61.33
CC(C)(C(=O)[O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300005343686	1	56	0.0	-79.90	411.10	8.99	-70.91
CC[N@H+](CC1=CC=C(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300005343688	0	61	0.0	-81.60	435.89	13.20	-68.40
CC[N@@H+](CC1=CC=C(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300005343688	1	61	0.0	-80.92	430.17	12.06	-68.86
C[N@@H+]1CCC[C@@H]1C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343691	0	46	0.0	-69.16	332.71	7.95	-61.21
C[N@H+]1CCC[C@@H]1C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343691	1	46	0.0	-67.70	339.00	8.46	-59.24
CC(C)(C(=O)[O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300005343728	0	56	0.0	-74.75	416.28	11.70	-63.05
CC(C)(C(=O)[O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300005343728	1	56	0.0	-76.15	416.31	11.80	-64.35
CC(C)(C(=O)[O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=CC=C1	REAL300005343729	0	57	0.0	-84.59	412.66	11.05	-73.54
CC(C)(C(=O)[O-])C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=CC=C1	REAL300005343753	0	60	0.0	-60.43	417.99	9.78	-50.65
CCC(C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])[NH+](CC)CC	REAL300005343757	0	54	0.0	-62.45	377.33	9.65	-52.80
CC(C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005343759	0	55	0.0	-70.15	406.26	11.33	-58.82
CC(C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005343759	1	55	0.0	-56.04	406.09	12.16	-43.88
C[NH+](C)CC1=CC=C(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C=N1	REAL300005343779	0	51	0.0	-73.77	395.97	9.36	-64.41
CCC[NH+](CCC)CCCC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343783	0	60	0.0	-75.58	435.39	11.62	-63.96
C[N@@H+]1CCOC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C1	REAL300005343785	1	47	0.0	-74.36	347.07	7.72	-66.64
C[N@H+]1CCOC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C1	REAL300005343785	1	47	0.0	-71.59	342.99	7.57	-64.02
CC(C)C1=[NH+]C=CN1CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343792	1	50	0.0	-66.76	372.84	9.94	-56.82
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=CC=C1	REAL300005343807	0	56	0.0	-84.13	415.73	12.92	-71.21
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=CC=C1	REAL300005343812	0	59	0.0	-75.77	432.43	12.75	-63.02
C[NH+](C)CC1(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC1	REAL300005343815	0	49	0.0	-72.37	362.11	9.37	-63.00
C[NH+](C)CCCCC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343823	0	51	0.0	-77.46	378.07	9.52	-67.94
CC1=C(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005343844	1	50	0.0	-82.32	388.60	9.29	-73.03
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC=C1	REAL300005343847	0	59	0.0	-68.36	439.63	13.36	-55.00
CC(C)(C(=O)[O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=CC=C1	REAL300005343858	1	52	0.0	-75.68	396.16	10.38	-65.30
C[NH+](C)CCC1=CC=C(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C=C1	REAL300005343859	0	55	0.0	-86.59	413.33	11.72	-74.87
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343864	1	48	0.0	-65.71	360.71	8.35	-57.36
CC(C)(C(=O)[O-])C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300005343865	1	57	0.0	-46.46	429.31	11.58	-34.88
CC(C)(C(=O)[O-])C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300005343865	1	57	0.0	-60.91	435.52	11.76	-49.15
CCC[N@H+](C)CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343872	0	48	0.0	-71.20	350.68	8.70	-62.50
CCC[N@@H+](C)CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343872	1	48	0.0	-70.95	351.91	8.80	-62.15
C[N@H+](CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])C1CCC1	REAL300005343886	0	49	0.0	-68.95	363.14	9.78	-59.17
C[N@@H+](CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])C1CCC1	REAL300005343886	1	49	0.0	-70.06	362.95	9.62	-60.44
CC(C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])[NH+]1CCSCC1	REAL300005343907	1	50	0.0	-48.29	373.88	9.70	-38.59
C[N@H+](CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])CC(C)(C)C	REAL300005343913	0	54	0.0	-70.47	380.46	9.80	-60.67
C[N@@H+](CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])CC(C)(C)C	REAL300005343913	1	54	0.0	-70.49	382.32	9.93	-60.56
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343915	0	55	0.0	-53.02	413.78	12.19	-40.83
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343915	1	55	0.0	-53.86	417.14	12.21	-41.65
COCCOCC[N@H+](C)CCC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343916	0	59	0.0	-74.61	439.49	7.91	-66.70
COCCOCC[N@@H+](C)CCC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343916	1	59	0.0	-77.21	444.32	8.24	-68.97
CC[C@@H](C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])[NH+](C)C	REAL300005343919	0	48	0.0	-67.13	341.55	8.34	-58.79
C[N@@H+]1CCCC(O)(CC(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C1	REAL300005343921	0	53	0.0	-73.88	381.62	7.81	-66.07
C[N@H+]1CCCC(O)(CC(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C1	REAL300005343921	1	53	0.0	-66.83	382.99	7.63	-59.20
CCCCCC[N@H+](C)CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343933	0	57	0.0	-51.22	421.73	11.53	-39.69
CCCCCC[N@@H+](C)CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005343933	1	57	0.0	-71.98	416.43	11.14	-60.84
CC(C)(C(=O)[O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=CC=C1	REAL300005343947	1	44	0.0	-77.79	343.24	11.80	-65.99
C[N@H+](CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])C1CCSC1	REAL300005343957	0	50	0.0	-53.96	372.11	10.40	-43.56
C[N@@H+](CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])C1CCSC1	REAL300005343957	1	50	0.0	-79.55	375.12	9.79	-69.76
CC(C)[NH+]1CCN(CCC(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC1	REAL300005343972	0	60	0.0	-76.31	432.17	8.81	-67.50
CC(C)N1CC[NH+](CCC(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC1	REAL300005343972	1	60	0.0	-75.87	425.81	8.39	-67.48
CC(C)[NH+]1CCN(CCCC(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC1	REAL300005343973	0	63	0.0	-73.96	449.71	9.39	-64.57
CC(C)N1CC[NH+](CCCC(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC1	REAL300005343973	1	63	0.0	-76.62	446.04	9.18	-67.44
CC(C)(C(=O)[O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=CC=C1	REAL300005343974	0	53	0.0	-49.40	368.33	10.52	-38.88
CC(C)(C(=O)[O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=CC=C1	REAL300005343974	1	53	0.0	-64.66	381.52	10.47	-54.19
C[NH+](C)CCN1C=C(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C=N1	REAL300005343976	0	52	0.0	-83.61	400.48	9.12	-74.49
CC(C)(C(=O)[O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=CC=CC=C1	REAL300005343981	0	58	0.0	-75.95	428.70	10.72	-65.23
CC(C)(C(=O)[O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=CC=CC=C1	REAL300005343981	1	58	0.0	-50.51	413.81	11.67	-38.84
CC(C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005343986	1	56	0.0	-71.93	407.85	11.96	-59.97
CC(C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005343986	1	56	0.0	-69.48	408.14	11.91	-57.57
CC(C)(C(=O)[O-])C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300005344001	0	59	0.0	-80.07	437.76	12.62	-67.45
CC(C)(C(=O)[O-])C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300005344001	1	59	0.0	-68.38	436.38	13.35	-55.03
C[NH+](C)CCN1C=CC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])=N1	REAL300005344014	0	52	0.0	-87.55	395.84	8.87	-78.68
C[NH+](C)CCN1N=CC=C1C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005344015	0	52	0.0	-61.91	390.42	8.84	-53.07
C[C@@H]1[C@H](C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC[N@@H+]1C	REAL300005344017	0	49	0.0	-75.63	344.03	10.04	-65.59
C[C@@H]1[C@H](C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC[N@H+]1C	REAL300005344017	1	49	0.0	-72.46	352.75	8.84	-63.62
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005344018	1	53	0.0	-51.46	406.14	11.25	-40.21
CC[C@@H]1[C@@H](C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC[N@@H+]1C	REAL300005344021	0	52	0.0	-74.01	364.87	8.92	-65.09
CC[C@@H]1[C@@H](C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC[N@H+]1C	REAL300005344021	1	52	0.0	-56.00	371.76	10.35	-45.65
CC1C[N@H+](C)CC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])O1	REAL300005344028	1	50	0.0	-81.88	362.49	8.42	-73.46
CC1C[N@@H+](C)CC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])O1	REAL300005344028	1	50	0.0	-86.60	362.50	8.02	-78.58
CC(C)(C(=O)[O-])C(NC(=O)C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005344035	0	46	0.0	-70.83	338.14	8.43	-62.40
CC1=[NH+]C=CN1CC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005344037	1	44	0.0	-53.03	342.18	9.89	-43.14
CC(C[NH+]1CCOCC1)C(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300005344039	0	53	0.0	-75.86	387.23	8.34	-67.52
CC1CC[NH+](CC(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC1	REAL300005344057	0	52	0.0	-72.96	381.42	10.36	-62.60
CC[N@@H+]1CCOC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C1	REAL300005344068	1	50	0.0	-71.29	360.94	8.22	-63.07
CC[N@H+]1CCOC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C1	REAL300005344068	1	50	0.0	-70.91	360.77	8.21	-62.70
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])CC1	REAL300005344097	1	59	0.0	-81.82	434.55	10.96	-70.86
CC(C)(C(=O)[O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC=CC=C1	REAL300005344098	0	59	0.0	-59.57	417.77	12.13	-47.44
CC(C)(C(=O)[O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=CC=CC=C1	REAL300005344098	1	59	0.0	-71.89	416.69	11.29	-60.60
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CC1=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])OC2=C1C(=O)CCC2	REAL300005346056	1	53	0.0	-51.48	416.36	10.71	-40.77
CC1=CNC=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346057	0	45	0.0	-56.09	360.63	8.08	-48.01
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CCOC1=CC=CC=C1C=CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346059	0	55	0.0	-61.41	437.48	11.69	-49.72
CCOC1=CC=CC=C1C=CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346059	1	55	0.0	-54.90	438.66	10.97	-43.93
CC(C)COC1=CC=CC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346060	0	57	0.0	-44.12	444.74	11.68	-32.44
CC(C)COC1=CC=CC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346060	1	57	0.0	-59.86	446.39	12.03	-47.83
CC1=CC=CC(C=CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346061	0	51	0.0	-51.78	409.93	11.36	-40.42
CC1=CC=CC(C=CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346061	1	51	0.0	-52.42	409.84	11.34	-41.08
CC(=O)NC1=CC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=CC=C1F	REAL300005346062	0	51	0.0	-60.34	417.94	8.64	-51.70
CC(=O)NC1=CC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=CC=C1F	REAL300005346062	1	51	0.0	-61.52	415.22	8.51	-53.01
CC(C)CCSCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346063	0	53	0.0	-57.16	420.23	11.27	-45.89
CC(C)CCSCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346063	1	53	0.0	-55.19	425.60	10.71	-44.48
CCCCOC(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346064	0	53	0.0	-55.68	415.82	9.85	-45.83
CCCCOC(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346064	1	53	0.0	-48.35	412.82	10.23	-38.12
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C=CCCOC(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346065	1	51	0.0	-48.41	404.13	10.01	-38.40
CC(C)CCOC(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346066	0	56	0.0	-55.58	433.39	10.37	-45.21
CC(C)CCOC(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346066	1	56	0.0	-46.61	429.32	11.04	-35.57
CC(OCC1CCCCO1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346067	0	58	0.0	-58.93	449.32	9.61	-49.32
CC(OCC1CCCCO1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346067	1	58	0.0	-57.40	448.16	9.53	-47.87
CC(OCC1CCCO1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346068	0	55	0.0	-47.25	427.86	9.13	-38.12
CC(OCC1CCCO1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346068	1	55	0.0	-61.51	429.24	8.75	-52.76
CC(OCC1CC1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346069	0	51	0.0	-43.72	402.46	10.23	-33.49
CC(OCC1CC1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346069	1	51	0.0	-57.71	403.83	9.84	-47.87
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CC1=CC=C(CCCCC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346070	1	59	0.0	-46.48	460.34	13.97	-32.51
CC(C)OC1=CC=CC(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346071	0	57	0.0	-56.39	448.86	11.07	-45.32
CC(C)OC1=CC=CC(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346071	1	57	0.0	-57.53	449.77	11.13	-46.40
CN1C=C(C2CC2C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=N1	REAL300005346072	0	51	0.0	-48.05	408.80	9.79	-38.26
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CC(C)COC1=CC=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346184	0	57	0.0	-53.11	447.84	11.26	-41.85
CC(C)COC1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346184	1	57	0.0	-52.74	446.76	11.21	-41.53
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CCC(OC1=CC=CC=C1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346186	0	54	0.0	-57.72	421.89	11.35	-46.37
CCC(OC1=CC=CC=C1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346186	1	54	0.0	-57.46	421.90	11.35	-46.11
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CC(C)C1=CC=CC=C1OCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346189	0	57	0.0	-59.82	442.68	12.68	-47.14
CC(C)C1=CC=CC=C1OCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346189	1	57	0.0	-60.11	445.57	12.82	-47.29
CC1=CC=C(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1C	REAL300005346190	0	53	0.0	-55.11	418.93	11.49	-43.62
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CC(NC(=O)OC(C)(C)C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346192	0	57	0.0	-50.61	440.09	7.59	-43.02
CC(NC(=O)OC(C)(C)C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346192	1	57	0.0	-53.48	442.53	7.22	-46.26
CC(C)(C)OC(=O)NCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346193	0	54	0.0	-54.24	423.96	6.34	-47.90
CC(C)(C)OC(=O)NCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346193	1	54	0.0	-55.29	424.85	6.41	-48.88
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CC=C(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346201	1	44	0.0	-52.60	349.12	8.61	-43.99
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CC(OC1=CC=CC=C1F)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346205	0	51	0.0	-62.77	411.57	10.83	-51.94
CC(OC1=CC=CC=C1F)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346205	1	51	0.0	-62.20	411.18	10.71	-51.49
CC(C)SCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346206	0	47	0.0	-54.27	383.31	9.25	-45.02
CC(C)SCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346206	1	47	0.0	-55.24	383.31	9.25	-45.99
CCCCSCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346207	0	50	0.0	-57.32	402.66	10.76	-46.56
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CC(C)SC1=CC=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346208	0	54	0.0	-53.02	439.62	12.14	-40.88
CC(C)SC1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346208	1	54	0.0	-52.65	431.66	11.88	-40.77
CCC(OC1CCCCC1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346209	0	60	0.0	-45.40	454.23	12.56	-32.84
CCC(OC1CCCCC1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346209	1	60	0.0	-62.39	448.62	12.26	-50.13
CC1=C(C2CC2C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])SC=C1	REAL300005346210	0	51	0.0	-44.44	416.11	11.72	-32.72
CC1=C(C2CC2C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])SC=C1	REAL300005346210	1	51	0.0	-53.84	412.09	11.40	-42.44
CS(=O)(=O)CC1(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005346211	0	53	0.0	-58.36	427.89	6.86	-51.50
CS(=O)(=O)CC1(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005346211	1	53	0.0	-54.80	427.88	6.81	-47.99
CC1=CC=C(F)C(OCC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346212	0	51	0.0	-60.26	417.07	10.89	-49.37
CC1=CC=C(F)C(OCC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346212	1	51	0.0	-61.25	417.07	10.90	-50.35
CC1=NN(C)C(C)=C1OCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346213	0	54	0.0	-60.77	432.90	9.68	-51.09
CC1=NN(C)C(C)=C1OCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346213	1	54	0.0	-61.37	437.37	9.11	-52.26
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COC1=CC=C(OCC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1C	REAL300005346215	0	55	0.0	-57.95	439.00	10.20	-47.75
COC1=CC=C(OCC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1C	REAL300005346215	1	55	0.0	-60.69	436.53	10.90	-49.79
CCC(CC)N1N=CC=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346216	0	56	0.0	-51.12	435.46	10.33	-40.79
CCC(CC)N1N=CC=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346216	1	56	0.0	-51.82	436.25	10.39	-41.43
CSCCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346217	0	44	0.0	-52.19	364.32	8.47	-43.72
CSCCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346217	1	44	0.0	-45.33	362.63	8.88	-36.45
CSCC1=CC=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346218	0	51	0.0	-52.89	421.10	11.41	-41.48
CSCC1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346218	1	51	0.0	-53.94	420.01	11.36	-42.58
CC(=CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C1CC1	REAL300005346219	0	48	0.0	-47.27	374.65	10.71	-36.56
CC(=CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C1CC1	REAL300005346219	1	48	0.0	-42.88	374.64	10.44	-32.44
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CC(C)(C)OC1=CC=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346253	0	57	0.0	-53.60	435.26	10.67	-42.93
CC(C)(C)OC1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346253	1	57	0.0	-53.30	434.78	10.65	-42.65
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CC(SC1=CC=CC=C1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346264	0	51	0.0	-52.88	421.58	11.39	-41.49
CC(SC1=CC=CC=C1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346264	1	51	0.0	-56.02	417.37	11.19	-44.83
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CC1=C(F)C=CC=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346521	1	47	0.0	-52.76	375.03	10.19	-42.57
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CC(C)(C)C1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])N=C1	REAL300005346522	1	55	0.0	-47.01	423.74	10.78	-36.23
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COCC1(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005346534	0	51	0.0	-54.58	402.19	8.45	-46.13
COCC1(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005346534	1	51	0.0	-50.40	402.31	8.27	-42.13
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CC(C)(C)N1C=NC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=N1	REAL300005346538	1	52	0.0	-53.65	413.78	10.30	-43.35
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CC1(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1(F)Cl	REAL300005346543	1	47	0.0	-52.03	387.55	10.56	-41.47
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346544	0	56	0.0	-44.16	426.33	11.50	-32.66
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346544	1	56	0.0	-48.47	425.42	11.61	-36.86
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CCC1CCCCC1OCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346554	1	60	0.0	-54.64	452.84	11.66	-42.98
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CC1(C)COC2=C(C(=O)NC3C[N@@H+](CC4=CC=CC=C4)CC3C(=O)[O-])C=CC=C21	REAL300005346559	1	55	0.0	-57.88	431.70	11.49	-46.39
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CC(CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-])N1C=CN=C1	REAL300005346562	0	50	0.0	-56.35	398.08	10.22	-46.13
CC(CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-])N1C=CN=C1	REAL300005346562	1	50	0.0	-55.70	398.08	10.22	-45.48
CC(C)C1=CC=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])N=C1	REAL300005346563	0	52	0.0	-51.71	412.39	9.68	-42.03
CC(C)C1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])N=C1	REAL300005346563	1	52	0.0	-47.15	407.64	10.37	-36.78
CSC1=CC=CN=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346564	0	47	0.0	-53.88	386.86	8.79	-45.09
CSC1=CC=CN=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346564	1	47	0.0	-51.88	382.93	9.25	-42.63
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CCN1C=CC(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=N1	REAL300005346565	1	50	0.0	-52.31	398.11	9.51	-42.80
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CC1=NN(C(C)C)C=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346568	0	53	0.0	-60.71	416.59	10.00	-50.71
CC1=NN(C(C)C)C=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346568	1	53	0.0	-50.07	413.27	10.00	-40.07
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CC1=CN(C)N=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346571	0	47	0.0	-53.55	375.01	8.41	-45.14
CC1=CN(C)N=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346571	1	47	0.0	-53.40	374.94	8.46	-44.94
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CC(=CC1=CC=NC=C1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346573	0	50	0.0	-53.98	396.05	9.53	-44.45
CC(=CC1=CC=NC=C1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346573	1	50	0.0	-54.03	398.99	9.66	-44.37
CC(=CC1=CC=CC=N1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346574	0	50	0.0	-48.08	395.41	10.96	-37.12
CC(=CC1=CC=CC=N1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346574	1	50	0.0	-58.71	397.56	11.30	-47.41
CC(=CC1=CC=CN=C1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346575	0	50	0.0	-53.91	396.00	9.54	-44.37
CC(=CC1=CC=CN=C1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346575	1	50	0.0	-51.00	396.61	10.31	-40.69
CC(=CC1=CC=CO1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346576	0	48	0.0	-47.11	380.98	10.11	-37.00
CC(=CC1=CC=CO1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346576	1	48	0.0	-53.65	385.32	9.83	-43.82
CC(C)(C)C1=CC=CC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346577	0	56	0.0	-45.37	428.47	12.69	-32.68
CC(C)(C)C1=CC=CC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346577	1	56	0.0	-57.85	429.61	12.64	-45.21
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O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C2OCCOC2=N1	REAL300005346579	1	49	0.0	-52.39	393.47	6.19	-46.20
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O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=CC=C(F)C=C1	REAL300005346580	1	53	0.0	-56.04	429.83	11.94	-44.10
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COC1=CN2N=CC(C(=O)NC3C[N@H+](CC4=CC=CC=C4)CC3C(=O)[O-])=C2C=C1	REAL300005346582	0	51	0.0	-55.61	411.83	8.52	-47.09
COC1=CN2N=CC(C(=O)NC3C[N@@H+](CC4=CC=CC=C4)CC3C(=O)[O-])=C2C=C1	REAL300005346582	1	51	0.0	-55.28	410.62	8.46	-46.82
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CC1(C)CC2=CC=CC(C(=O)NC3C[N@H+](CC4=CC=CC=C4)CC3C(=O)[O-])=C2O1	REAL300005346584	0	55	0.0	-56.02	431.54	11.67	-44.35
CC1(C)CC2=CC=CC(C(=O)NC3C[N@@H+](CC4=CC=CC=C4)CC3C(=O)[O-])=C2O1	REAL300005346584	1	55	0.0	-57.39	432.68	11.74	-45.65
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CC(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005346586	0	50	0.0	-55.45	413.22	11.37	-44.08
CC(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005346586	1	50	0.0	-55.24	411.27	11.26	-43.98
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1CC1C1CCCC1	REAL300005346587	0	54	0.0	-52.36	406.22	11.28	-41.08
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1CC1C1CCCC1	REAL300005346587	1	54	0.0	-42.15	413.49	11.70	-30.45
COC(CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C(F)(F)F	REAL300005346588	0	47	0.0	-57.31	383.14	8.72	-48.59
COC(CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C(F)(F)F	REAL300005346588	1	47	0.0	-52.21	388.50	8.18	-44.03
CSCC1(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005346589	0	51	0.0	-54.21	411.42	10.34	-43.87
CSCC1(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005346589	1	51	0.0	-49.80	412.19	10.36	-39.44
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CC1C2CC3CC(C2)CC1C3	REAL300005346590	0	61	0.0	-53.40	434.31	12.04	-41.36
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CC1C2CC3CC(C2)CC1C3	REAL300005346590	1	61	0.0	-52.47	434.32	12.04	-40.43
C[C@H]1CC[C@H](C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005346591	0	53	0.0	-46.80	397.50	10.74	-36.06
C[C@H]1CC[C@H](C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005346591	1	53	0.0	-52.12	400.50	10.34	-41.78
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC2=CN=CC=C2C=C1	REAL300005346592	0	49	0.0	-48.24	391.78	10.44	-37.80
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC2=CN=CC=C2C=C1	REAL300005346592	1	49	0.0	-46.84	393.26	10.86	-35.98
CC(C)CN1N=CC=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346593	0	53	0.0	-47.77	405.79	10.74	-37.03
CC(C)CN1N=CC=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346593	1	53	0.0	-51.89	418.14	9.70	-42.19
O=C(C=CC1CCCC1)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346594	0	51	0.0	-51.14	397.41	10.44	-40.70
O=C(C=CC1CCCC1)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346594	1	51	0.0	-46.23	394.85	10.66	-35.57
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1CC2(CCC2)C1	REAL300005346595	0	51	0.0	-58.64	393.61	11.11	-47.53
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1CC2(CCC2)C1	REAL300005346595	1	51	0.0	-55.69	393.52	11.10	-44.59
COC1=CC=NC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346596	0	47	0.0	-50.53	377.81	7.49	-43.04
COC1=CC=NC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346596	1	47	0.0	-51.73	377.81	7.59	-44.14
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1CC2CC2C1	REAL300005346597	0	48	0.0	-45.34	368.69	10.08	-35.26
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1CC2CC2C1	REAL300005346597	1	48	0.0	-53.16	374.82	9.91	-43.25
CC(C)(C)N1N=NC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=N1	REAL300005346598	0	51	0.0	-52.63	408.07	7.66	-44.97
CC(C)(C)N1N=NC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=N1	REAL300005346598	1	51	0.0	-51.97	407.15	8.02	-43.95
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O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)[C@H]1CC[C@H](C2CCC2)CC1	REAL300005346600	0	60	0.0	-58.56	447.48	13.12	-45.44
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CN1C=C(C=CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])N=N1	REAL300005346601	0	47	0.0	-55.72	386.61	7.45	-48.27
CN1C=C(C=CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])N=N1	REAL300005346601	1	47	0.0	-57.49	389.17	7.24	-50.25
CC(=CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C(C)(C)C	REAL300005346602	0	53	0.0	-45.96	399.96	10.35	-35.61
CC(=CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C(C)(C)C	REAL300005346602	1	53	0.0	-43.52	398.28	10.86	-32.66
CC1(C)CC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC(C)(C)C1	REAL300005346603	0	62	0.0	-51.90	452.76	11.74	-40.16
CC1(C)CC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC(C)(C)C1	REAL300005346603	1	62	0.0	-51.96	450.46	11.60	-40.36
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CN1N=CC(Cl)=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346678	1	44	0.0	-46.96	373.81	8.22	-38.74
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CCOCCOCCCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346685	0	57	0.0	-57.91	453.01	8.33	-49.58
CCOCCOCCCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346685	1	57	0.0	-56.23	452.72	8.33	-47.90
COC1=CC=CC(C(OC)C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346686	0	55	0.0	-45.49	438.24	10.06	-35.43
COC1=CC=CC(C(OC)C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346686	1	55	0.0	-49.51	440.00	10.10	-39.41
CCCN1N=CC=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346687	0	50	0.0	-51.71	398.20	8.88	-42.83
CCCN1N=CC=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346687	1	50	0.0	-52.36	399.01	8.92	-43.44
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CC1=CC=CC=C1COCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346692	0	54	0.0	-57.34	431.17	11.35	-45.99
CC1=CC=CC=C1COCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346692	1	54	0.0	-60.48	428.70	12.04	-48.44
CC1=CC=CC(COCC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346693	0	54	0.0	-57.53	436.41	11.33	-46.20
CC1=CC=CC(COCC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346693	1	54	0.0	-60.55	433.93	12.02	-48.53
CC1=CC=C(COCC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346694	0	54	0.0	-57.46	436.41	11.34	-46.12
CC1=CC=C(COCC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005346694	1	54	0.0	-48.62	432.20	11.58	-37.04
CC(C)C1=CC=CC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346695	0	53	0.0	-45.47	412.50	12.27	-33.20
CC(C)C1=CC=CC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346695	1	53	0.0	-57.95	413.64	12.22	-45.73
CCN1N=CC(Cl)=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346696	0	47	0.0	-58.30	399.58	8.62	-49.68
CCN1N=CC(Cl)=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346696	1	47	0.0	-57.68	398.05	8.52	-49.16
CCCCC(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C(C)C	REAL300005346697	0	58	0.0	-45.38	427.88	12.55	-32.83
CCCCC(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C(C)C	REAL300005346697	1	58	0.0	-42.48	414.47	11.81	-30.67
CCOCCN1C=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=N1	REAL300005346698	0	54	0.0	-54.36	437.71	8.24	-46.12
CCOCCN1C=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=N1	REAL300005346698	1	54	0.0	-47.72	435.34	8.60	-39.12
CC(=CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C1=CC=CS1	REAL300005346699	0	48	0.0	-45.05	394.34	11.39	-33.66
CC(=CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C1=CC=CS1	REAL300005346699	1	48	0.0	-44.17	393.12	11.26	-32.91
COC1=CC=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C(O)=C1	REAL300005346700	0	49	0.0	-54.09	392.88	7.36	-46.73
COC1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C(O)=C1	REAL300005346700	1	49	0.0	-51.42	388.18	8.09	-43.33
COC(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C1CC1	REAL300005346701	0	48	0.0	-52.17	381.39	8.99	-43.18
COC(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-])C1CC1	REAL300005346701	1	48	0.0	-53.73	378.97	8.82	-44.91
CCC1CCC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])O1	REAL300005346702	0	51	0.0	-65.27	395.01	10.10	-55.17
CCC1CCC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])O1	REAL300005346702	1	51	0.0	-55.27	396.75	9.28	-45.99
CC1OCCCC1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346703	0	51	0.0	-55.25	384.96	8.86	-46.39
CC1OCCCC1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346703	1	51	0.0	-56.55	384.12	8.86	-47.69
COC1CCCC(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C1	REAL300005346704	0	57	0.0	-53.32	430.74	9.69	-43.63
COC1CCCC(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C1	REAL300005346704	1	57	0.0	-52.57	430.96	9.44	-43.13
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CC1=CC(C)=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])S1	REAL300005346732	1	47	0.0	-44.75	380.90	10.67	-34.08
CC(=CC1CCC(C)CC1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346733	0	60	0.0	-44.46	441.26	12.86	-31.60
CC(=CC1CCC(C)CC1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346733	1	60	0.0	-40.48	441.69	12.52	-27.96
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CC1OC(C)C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C1C	REAL300005346735	0	54	0.0	-51.53	400.81	8.68	-42.85
CC1OC(C)C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C1C	REAL300005346735	1	54	0.0	-52.60	401.35	8.23	-44.37
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CSCCCCCCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346739	1	56	0.0	-46.50	445.26	12.28	-34.22
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CCOC1=CC=CC(CCC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346741	0	57	0.0	-53.22	453.28	11.32	-41.90
CCOC1=CC=CC(CCC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005346741	1	57	0.0	-46.11	450.67	11.66	-34.45
CC1C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C1C1CC1	REAL300005346742	0	51	0.0	-41.83	393.54	11.27	-30.56
CC1C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C1C1CC1	REAL300005346742	1	51	0.0	-51.79	400.75	10.97	-40.82
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1CCCC12CC2	REAL300005346743	0	51	0.0	-52.01	392.15	10.25	-41.76
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1CCCC12CC2	REAL300005346743	1	51	0.0	-55.41	389.12	10.86	-44.55
CC1=CN2C=C(CC(=O)NC3C[N@H+](CC4=CC=CC=C4)CC3C(=O)[O-])N=C2S1	REAL300005346744	0	50	0.0	-59.01	418.98	10.91	-48.10
CC1=CN2C=C(CC(=O)NC3C[N@@H+](CC4=CC=CC=C4)CC3C(=O)[O-])N=C2S1	REAL300005346744	1	50	0.0	-58.49	416.96	10.81	-47.68
O=C(CC1CC2=CC=CC=C2O1)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346745	0	52	0.0	-56.31	415.21	10.90	-45.41
O=C(CC1CC2=CC=CC=C2O1)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346745	1	52	0.0	-60.82	415.45	10.42	-50.40
CC1=CC(C)=C(C=CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1C	REAL300005346746	0	57	0.0	-57.84	443.16	13.11	-44.73
CC1=CC(C)=C(C=CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1C	REAL300005346746	1	57	0.0	-52.31	444.35	12.40	-39.91
O=C(C=CC1=CC=C2NC=CC2=C1)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005346747	0	52	0.0	-55.38	419.76	10.72	-44.66
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O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CN(CC2CCCC2)N=C1	REAL300005346748	1	57	0.0	-63.00	441.60	11.44	-51.56
COCCN1C=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=N1	REAL300005346749	0	51	0.0	-54.53	415.86	7.27	-47.26
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CC1(C)[C@H](C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])[C@H]1C1=CC=CC=C1	REAL300005346751	1	57	0.0	-46.79	434.54	13.19	-33.60
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CC(OC1=CC=CC(CO)=C1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347179	1	55	0.0	-49.70	434.63	8.41	-41.29
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CC(C)NC1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=N1	REAL300005347194	1	54	0.0	-46.57	420.18	9.58	-36.99
CCCN(C)CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347195	1	51	0.0	-52.86	392.57	7.10	-45.76
CCCN(C)CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347195	1	51	0.0	-54.33	393.56	7.18	-47.15
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CC(C)(C)C1CC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C1	REAL300005347441	0	56	0.0	-51.30	420.41	10.77	-40.53
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CCCCS(=O)(=O)NCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347481	1	54	0.0	-60.21	441.41	5.26	-54.95
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CCC(C)(C)CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347593	1	52	0.0	-50.95	387.64	9.67	-41.28
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CC(C)N1N=CC=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347596	0	50	0.0	-51.68	396.75	8.83	-42.85
CC(C)N1N=CC=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347596	1	50	0.0	-52.59	397.53	8.88	-43.71
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CC1(CCC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005347747	1	50	0.0	-55.58	387.49	10.67	-44.91
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CSC1=CC=C(CCC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005347756	1	54	0.0	-46.45	439.53	12.46	-33.99
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CC1=NC=C([N+](=O)[O-])N1CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347757	1	49	0.0	-68.49	404.67	11.25	-57.24
COC1=CC(=O)NC=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347758	0	48	0.0	-53.96	385.69	6.93	-47.03
COC1=CC(=O)NC=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347758	1	48	0.0	-49.75	381.99	6.99	-42.76
CCCCS(=O)(=O)CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347759	0	52	0.0	-67.53	425.57	6.69	-60.84
CCCCS(=O)(=O)CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347759	1	52	0.0	-56.77	420.52	7.40	-49.37
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CC1(C2=CC=C(C(=O)NC3C[N@H+](CC4=CC=CC=C4)CC3C(=O)[O-])C=C2)CC1	REAL300005347763	0	54	0.0	-52.41	422.33	12.08	-40.33
CC1(C2=CC=C(C(=O)NC3C[N@@H+](CC4=CC=CC=C4)CC3C(=O)[O-])C=C2)CC1	REAL300005347763	1	54	0.0	-57.46	419.87	12.80	-44.66
CC(C)CC1=CC=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])S1	REAL300005347764	0	53	0.0	-46.35	425.59	11.89	-34.46
CC(C)CC1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])S1	REAL300005347764	1	53	0.0	-52.10	427.97	11.34	-40.76
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COC1=C(Cl)C=CC=C1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347767	0	48	0.0	-57.89	399.94	10.65	-47.24
COC1=C(Cl)C=CC=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347767	1	48	0.0	-53.87	399.02	10.60	-43.27
CC(C)C1=CC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C(C(C)C)N1	REAL300005347768	0	60	0.0	-51.80	463.83	11.13	-40.67
CC(C)C1=CC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C(C(C)C)N1	REAL300005347768	1	60	0.0	-52.13	462.45	11.07	-41.06
CC1=NC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C2CCCCN12	REAL300005347769	0	54	0.0	-54.40	420.00	10.18	-44.22
CC1=NC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C2CCCCN12	REAL300005347769	1	54	0.0	-54.16	419.63	10.17	-43.99
CC1=NOC=C1CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347770	0	46	0.0	-59.62	376.67	8.25	-51.37
CC1=NOC=C1CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347770	1	46	0.0	-49.53	374.72	8.62	-40.91
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O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CN2CCOCC2=C1	REAL300005347771	1	50	0.0	-49.36	395.08	9.21	-40.15
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O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C(CC1=CC=CC=C1)C1CC1	REAL300005347772	1	57	0.0	-49.25	448.48	13.62	-35.63
COC1(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005347773	0	48	0.0	-57.21	379.46	7.52	-49.69
COC1(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CC1	REAL300005347773	1	48	0.0	-56.62	383.02	8.25	-48.37
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CC1CCC2CC2C1	REAL300005347774	0	54	0.0	-44.93	403.84	11.39	-33.54
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CC1=NSC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005347775	0	43	0.0	-52.32	363.90	7.76	-44.56
CC1=NSC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005347775	1	43	0.0	-51.94	362.76	7.70	-44.24
CC(C)C1=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=CN1	REAL300005347776	0	51	0.0	-46.06	398.73	9.71	-36.35
CC(C)C1=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=CN1	REAL300005347776	1	51	0.0	-53.25	403.13	9.38	-43.87
CC1=CN=C2C(=C1)C=NN2CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347777	0	52	0.0	-59.60	425.53	9.70	-49.90
CC1=CN=C2C(=C1)C=NN2CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347777	1	52	0.0	-59.14	425.24	9.70	-49.44
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1=C2C=CC=CN2C=N1	REAL300005347778	0	47	0.0	-57.36	384.16	10.90	-46.46
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=C2C=CC=CN2C=N1	REAL300005347778	1	47	0.0	-53.78	380.56	11.26	-42.52
CC1=CC=CN2N=C(C(=O)NC3C[N@H+](CC4=CC=CC=C4)CC3C(=O)[O-])C=C12	REAL300005347779	0	50	0.0	-55.27	403.19	10.25	-45.02
CC1=CC=CN2N=C(C(=O)NC3C[N@@H+](CC4=CC=CC=C4)CC3C(=O)[O-])C=C12	REAL300005347779	1	50	0.0	-53.18	402.21	10.57	-42.61
CC1=CC2=CC=NC=C2C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005347780	0	52	0.0	-44.88	409.73	11.07	-33.81
CC1=CC2=CC=NC=C2C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005347780	1	52	0.0	-43.29	409.28	11.20	-32.09
CC(C)(C)OCCOCCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347781	0	60	0.0	-52.99	465.81	8.71	-44.28
CC(C)(C)OCCOCCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347781	1	60	0.0	-48.05	459.85	9.33	-38.72
CN1N=CC2=NC=C(C(=O)NC3C[N@H+](CC4=CC=CC=C4)CC3C(=O)[O-])C=C21	REAL300005347782	0	49	0.0	-59.37	396.70	8.30	-51.07
CN1N=CC2=NC=C(C(=O)NC3C[N@@H+](CC4=CC=CC=C4)CC3C(=O)[O-])C=C21	REAL300005347782	1	49	0.0	-48.43	394.11	8.24	-40.19
CCOCCOCCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347783	0	54	0.0	-53.27	431.51	7.57	-45.70
CCOCCOCCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347783	1	54	0.0	-46.77	428.91	7.91	-38.86
CC1(OCC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CCOCC1	REAL300005347784	0	55	0.0	-55.69	419.35	8.21	-47.48
CC1(OCC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CCOCC1	REAL300005347784	1	55	0.0	-47.58	414.30	8.93	-38.65
CC1=CC=CN2C(CC(=O)NC3C[N@H+](CC4=CC=CC=C4)CC3C(=O)[O-])=CN=C12	REAL300005347785	0	53	0.0	-64.92	428.48	11.26	-53.66
CC1=CC=CN2C(CC(=O)NC3C[N@@H+](CC4=CC=CC=C4)CC3C(=O)[O-])=CN=C12	REAL300005347785	1	53	0.0	-54.38	425.87	11.60	-42.78
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)[C@@H]1C[C@H]1C1CCCO1	REAL300005347786	0	52	0.0	-51.08	407.06	8.92	-42.16
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)[C@@H]1C[C@H]1C1CCCO1	REAL300005347786	1	52	0.0	-45.04	404.31	9.34	-35.70
CC1=CSC(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005347787	0	47	0.0	-53.52	392.39	10.07	-43.45
CC1=CSC(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300005347787	1	47	0.0	-46.90	386.42	10.68	-36.22
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347788	0	55	0.0	-44.85	433.82	13.51	-31.34
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347788	1	55	0.0	-47.26	435.07	12.99	-34.27
C=CCCCC1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005347789	0	57	0.0	-52.31	452.58	13.04	-39.27
C=CCCCC1=CC=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C=C1	REAL300005347789	1	57	0.0	-52.49	453.68	13.08	-39.41
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1CC=CCO1	REAL300005347790	0	46	0.0	-61.49	364.45	9.15	-52.34
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1CC=CCO1	REAL300005347790	1	46	0.0	-47.07	361.81	8.83	-38.24
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CC1=CC=CC2=NSN=C21	REAL300005347791	0	48	0.0	-62.51	402.77	8.49	-54.02
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CC1=CC=CC2=NSN=C21	REAL300005347791	1	48	0.0	-63.34	404.80	8.60	-54.74
NS(=O)(=O)CCCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347792	0	48	0.0	-66.71	398.73	3.08	-63.63
NS(=O)(=O)CCCC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347792	1	48	0.0	-56.78	392.75	3.72	-53.06
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O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C=CC1=CC=C(F)C=C1F	REAL300005347795	0	48	0.0	-56.10	403.12	10.93	-45.17
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C=CC1=CC=C(F)C=C1F	REAL300005347795	1	48	0.0	-47.91	397.80	11.00	-36.91
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CC(C)=CCCC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347908	0	50	0.0	-52.10	394.22	10.07	-42.03
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CCCC(CC)CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005347921	0	55	0.0	-51.89	412.55	10.60	-41.29
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CC1=CC=C2C(C(=O)NC3C[N@@H+](CC4=CC=CC=C4)CC3C(=O)[O-])=COC2=C1	REAL300005347926	1	50	0.0	-56.38	403.89	10.49	-45.89
CC(C)(C)C1=NN(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])N=N1	REAL300005347927	0	54	0.0	-59.89	434.57	7.91	-51.98
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COCC1=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])OC=C1	REAL300005347929	0	48	0.0	-49.56	387.34	7.71	-41.85
COCC1=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])OC=C1	REAL300005347929	1	48	0.0	-53.62	390.33	7.33	-46.29
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CC(C)(C)C1(C)CC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C1	REAL300005347940	1	59	0.0	-53.06	428.76	10.93	-42.13
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CC1=CC(CCC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])=NN1C	REAL300005347941	1	53	0.0	-54.12	423.94	9.24	-44.88
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CCC(CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-])OC	REAL300005348030	1	50	0.0	-56.08	389.06	8.55	-47.53
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CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])C1	REAL300005348032	1	57	0.0	-54.30	437.75	9.69	-44.61
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CC1=NC=CC=C1C=CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005348034	0	50	0.0	-48.79	398.60	9.63	-39.16
CC1=NC=CC=C1C=CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005348034	1	50	0.0	-55.07	403.93	9.56	-45.51
CC1=CN=CC=C1C=CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005348035	0	50	0.0	-48.65	398.75	9.65	-39.00
CC1=CN=CC=C1C=CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005348035	1	50	0.0	-54.52	404.08	9.58	-44.94
CC(=CC1=CC=CS1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005348036	0	48	0.0	-45.18	385.71	10.50	-34.68
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CC1=CC=C(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])N1	REAL300005348215	0	45	0.0	-55.26	363.74	7.89	-47.37
CC1=CC=C(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])N1	REAL300005348215	1	45	0.0	-54.95	362.88	7.86	-47.09
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CC(C)C(C)C(C)CC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005348220	0	58	0.0	-51.78	425.35	10.79	-40.99
CC(C)C(C)C(C)CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300005348220	1	58	0.0	-52.81	425.74	10.78	-42.03
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COC1CC2(C1)CC(C(=O)NC1C[N@@H+](CC3=CC=CC=C3)CC1C(=O)[O-])C2	REAL300005348221	1	55	0.0	-53.10	427.55	9.28	-43.82
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CC1(C)CCC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CO1	REAL300005348223	1	54	0.0	-44.90	401.48	9.24	-35.66
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CC1(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CCCO1	REAL300005348225	0	51	0.0	-52.52	391.66	9.01	-43.51
CC1(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C(=O)[O-])CCCO1	REAL300005348225	1	51	0.0	-51.76	385.45	9.68	-42.08
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CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCOC2)O1	REAL300005356621	0	47	0.0	-72.11	364.94	5.93	-66.18
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCOC1	REAL300005356662	0	51	0.0	-67.37	389.11	7.89	-59.48
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CC(SC1=CC=CC=C1C(=O)NC1CCC2C[N@H+](C)CC21)C(=O)[O-]	REAL300005357489	0	48	0.0	-91.12	368.28	9.53	-81.59
CC(SC1=CC=CC=C1C(=O)NC1CCC2C[N@@H+](C)CC21)C(=O)[O-]	REAL300005357489	1	48	0.0	-87.29	370.24	9.73	-77.56
CCOC1=CC(C(=O)NC2CCC3C[N@H+](C)CC32)=CC=C1OCC(=O)[O-]	REAL300005357490	0	52	0.0	-77.72	396.14	9.37	-68.35
CCOC1=CC(C(=O)NC2CCC3C[N@@H+](C)CC32)=CC=C1OCC(=O)[O-]	REAL300005357490	1	52	0.0	-81.53	400.63	8.63	-72.90
C[N@@H+]1CC2CCC(NC(=O)CCC3=CC=C(C(=O)[O-])C=C3)C2C1	REAL300005357491	0	47	0.0	-78.08	359.98	10.15	-67.93
C[N@H+]1CC2CCC(NC(=O)CCC3=CC=C(C(=O)[O-])C=C3)C2C1	REAL300005357491	1	47	0.0	-80.24	364.61	9.17	-71.07
C[N@@H+]1CC2CCC(NC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)C2C1	REAL300005357492	0	45	0.0	-80.55	353.82	8.84	-71.71
C[N@H+]1CC2CCC(NC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)C2C1	REAL300005357492	1	45	0.0	-80.91	353.46	8.82	-72.09
C[N@@H+]1CC2CCC(NC(=O)CNS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2C1	REAL300005357493	0	49	0.0	-80.86	394.13	4.26	-76.60
C[N@H+]1CC2CCC(NC(=O)CNS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2C1	REAL300005357493	1	49	0.0	-80.28	394.19	4.15	-76.13
C[N@@H+]1CC2CCC(NC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C2C1	REAL300005357494	0	43	0.0	-63.62	347.65	8.26	-55.36
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C[N@@H+]1CC2CCC(NC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C2C1	REAL300005357495	0	43	0.0	-63.62	347.65	8.26	-55.36
C[N@H+]1CC2CCC(NC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C2C1	REAL300005357495	1	43	0.0	-73.47	342.22	9.07	-64.40
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CCC3C[N@@H+](C)CC32)C=C1	REAL300005357496	0	51	0.0	-80.52	389.09	10.03	-70.49
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CCC3C[N@H+](C)CC32)C=C1	REAL300005357496	1	51	0.0	-81.98	394.10	9.20	-72.78
C[N@@H+]1CC2CCC(NC(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)C2C1	REAL300005357497	0	48	0.0	-79.78	377.26	8.65	-71.13
C[N@H+]1CC2CCC(NC(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)C2C1	REAL300005357497	1	48	0.0	-75.31	373.26	8.90	-66.41
C[N@@H+]1CC2CCC(NC(=O)CCC3=CC=CC=C3C(=O)[O-])C2C1	REAL300005357498	0	47	0.0	-72.66	351.08	9.76	-62.90
C[N@H+]1CC2CCC(NC(=O)CCC3=CC=CC=C3C(=O)[O-])C2C1	REAL300005357498	1	47	0.0	-69.93	355.66	8.90	-61.03
CC1=CC(C(=O)NC2CCC3C[N@@H+](C)CC32)=CC(C)=C1OCC(=O)[O-]	REAL300005357499	0	51	0.0	-76.43	389.22	10.30	-66.13
CC1=CC(C(=O)NC2CCC3C[N@H+](C)CC32)=CC(C)=C1OCC(=O)[O-]	REAL300005357499	1	51	0.0	-79.39	394.02	9.46	-69.93
C[N@@H+]1CC2CCC(NC(=O)CC3=CC=CC(C(=O)[O-])=C3)C2C1	REAL300005357500	0	44	0.0	-88.89	340.02	8.54	-80.35
C[N@H+]1CC2CCC(NC(=O)CC3=CC=CC(C(=O)[O-])=C3)C2C1	REAL300005357500	1	44	0.0	-88.28	338.68	9.07	-79.21
C[N@@H+]1CC2CCC(NC(=O)C3=CC=C(C(=O)[O-])C=C3F)C2C1	REAL300005357501	0	41	0.0	-77.20	323.54	7.71	-69.49
C[N@H+]1CC2CCC(NC(=O)C3=CC=C(C(=O)[O-])C=C3F)C2C1	REAL300005357501	1	41	0.0	-80.14	319.98	7.84	-72.30
C[N@@H+]1CC2CCC(NC(=O)CC3=CC=C(C(=O)[O-])C=C3)C2C1	REAL300005357502	0	44	0.0	-86.95	344.12	8.28	-78.67
C[N@H+]1CC2CCC(NC(=O)CC3=CC=C(C(=O)[O-])C=C3)C2C1	REAL300005357502	1	44	0.0	-86.64	344.05	8.28	-78.36
CC1=NC(C(=O)NC2CCC3C[N@@H+](C)CC32)=CC=C1C(=O)[O-]	REAL300005357503	0	43	0.0	-62.02	331.55	7.57	-54.45
CC1=NC(C(=O)NC2CCC3C[N@H+](C)CC32)=CC=C1C(=O)[O-]	REAL300005357503	1	43	0.0	-60.97	327.72	7.22	-53.75
C[N@@H+]1CC2CCC(NC(=O)C3=CC(Br)=CC(C(=O)[O-])=C3)C2C1	REAL300005357504	0	41	0.0	-79.22	340.77	8.19	-71.03
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C[N@@H+]1CC2CCC(NC(=O)C3=CC=CC(CC(=O)[O-])=C3)C2C1	REAL300005357505	0	44	0.0	-72.35	337.24	9.22	-63.13
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C[N@@H+]1CC2CCC(NC(=O)C3=CC=CC=C3C3=CC=CC=C3C(=O)[O-])C2C1	REAL300005357506	0	51	0.0	-72.29	385.05	11.03	-61.26
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CC1=COC(CC(=O)[O-])=C1C(=O)NC1CCC2C[N@@H+](C)CC21	REAL300005357507	0	44	0.0	-81.27	348.32	7.19	-74.08
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C[N@H+]1CC2CCC(NC(=O)C=CC3=CC(C(=O)[O-])=CO3)C2C1	REAL300005357520	1	42	0.0	-77.22	338.08	7.11	-70.11
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C[N@H+]1CC2CCC(NC(=O)COCC3=C(C(=O)[O-])N=CO3)C2C1	REAL300005357522	1	44	0.0	-87.16	351.32	3.42	-83.74
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CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300005365049	1	54	0.0	-73.55	401.87	7.71	-65.84
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300005365050	0	55	0.0	-73.31	412.72	9.78	-63.53
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005365103	0	56	0.0	-73.79	417.03	7.57	-66.22
CC(C)C(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005365105	0	52	0.0	-57.22	376.31	10.60	-46.62
CC(C)C(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005365105	1	52	0.0	-57.64	386.73	10.11	-47.53
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300005365185	1	50	0.0	-76.10	378.59	8.86	-67.24
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300005365185	1	50	0.0	-75.63	378.07	9.15	-66.48
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(=O)[O-])C(C)C)O1	REAL300005365223	0	48	0.0	-67.10	365.94	8.11	-58.99
CC1=CC=C(N2CCC(C(=O)NC(CC(=O)[O-])C(C)C)CC2)[NH+]=C1	REAL300005365225	1	51	0.0	-61.58	379.67	8.01	-53.57
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300005365228	0	57	0.0	-73.53	415.35	9.12	-64.41
CC(C)C(CC(=O)[O-])NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005365235	1	40	0.0	-72.56	328.87	6.59	-65.97
CC(C)C(CC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300005365259	0	52	0.0	-60.15	382.96	9.70	-50.45
CC(C)C(CC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005365259	1	52	0.0	-60.00	389.66	10.29	-49.71
CC(C)C(CC(=O)[O-])NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005365274	0	53	0.0	-75.66	411.67	9.71	-65.95
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005365286	0	49	0.0	-69.39	375.33	8.94	-60.45
CC(C)C(CC(=O)[O-])NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300005365530	0	42	0.0	-65.31	313.46	6.68	-58.63
CC(C)C(CC(=O)[O-])NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300005365530	1	42	0.0	-71.13	310.72	6.52	-64.61
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300005365817	0	48	0.0	-73.59	369.83	9.56	-64.03
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300005365820	0	49	0.0	-72.37	373.57	8.21	-64.16
CC(C)C(CC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005365880	0	55	0.0	-63.79	405.16	11.27	-52.52
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300005365882	1	53	0.0	-74.66	395.08	8.80	-65.86
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300005365882	1	53	0.0	-74.89	391.20	8.58	-66.31
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2(O)CCC2)C1	REAL300005366004	0	51	0.0	-45.41	379.64	6.97	-38.44
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2(O)CCC2)C1	REAL300005366004	1	51	0.0	-48.15	383.84	7.02	-41.13
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(CN1CCCS1(=O)=O)C1CC1	REAL300005366141	0	52	0.0	-63.85	393.47	5.85	-58.00
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(CN1CCCS1(=O)=O)C1CC1	REAL300005366141	1	52	0.0	-48.42	391.77	5.55	-42.87
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C(F)(F)F)O2)C1	REAL300005366295	0	40	0.0	-51.43	338.62	6.78	-44.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C(F)(F)F)O2)C1	REAL300005366295	1	40	0.0	-47.89	332.43	6.76	-41.13
CC1=[NH+]C=C2CN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)CCN12	REAL300005366343	1	40	0.0	-73.47	326.01	8.18	-65.29
CC1=[NH+]C=C2CN(C(=O)C3=CC=CC=C3SCC3=C(C(=O)[O-])C=CO3)CCN12	REAL300005366344	1	47	0.0	-80.62	394.15	10.90	-69.72
CC1=[NH+]C=C2CN(C(=O)C3=CC=CC=C3SC(C)C(=O)[O-])CCN12	REAL300005366345	1	43	0.0	-71.48	351.50	9.67	-61.81
CCOC1=CC(C(=O)N2CCN3C(C)=[NH+]C=C3C2)=CC=C1OCC(=O)[O-]	REAL300005366346	1	47	0.0	-73.46	375.74	8.81	-64.65
CC1=[NH+]C=C2CN(C(=O)CCC3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300005366347	1	42	0.0	-73.38	341.70	9.76	-63.62
CC1=[NH+]C=C2CN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300005366348	1	40	0.0	-73.87	329.06	9.48	-64.39
CC1=[NH+]C=C2CN(C(=O)CNS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCN21	REAL300005366349	1	44	0.0	-70.35	374.37	4.64	-65.71
CC1=[NH+]C=C2CN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CCN12	REAL300005366350	1	38	0.0	-54.98	323.12	8.56	-46.42
CC1=[NH+]C=C2CN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CCN12	REAL300005366351	1	38	0.0	-54.98	323.12	8.56	-46.42
CC1=[NH+]C=C2CN(C(=O)C3=CC=C(N4N=CC(C(=O)[O-])=C4C)C=C3)CCN21	REAL300005366352	1	46	0.0	-73.70	370.03	9.47	-64.23
CC1=[NH+]C=C2CN(C(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)CCN21	REAL300005366353	1	43	0.0	-67.97	350.32	8.89	-59.08
CC1=[NH+]C=C2CN(C(=O)CCC3=CC=CC=C3C(=O)[O-])CCN12	REAL300005366354	1	42	0.0	-60.75	332.77	9.50	-51.25
CC1=[NH+]C=C2CN(C(=O)C3=CC(C)=C(OCC(=O)[O-])C(C)=C3)CCN12	REAL300005366355	1	46	0.0	-70.52	368.73	9.68	-60.84
CC1=[NH+]C=C2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3F)CCN12	REAL300005366356	1	36	0.0	-65.88	301.50	7.97	-57.91
CC1=[NH+]C=C2CN(C(=O)C3=CC=C(C(=O)[O-])C(C)=N3)CCN21	REAL300005366357	1	38	0.0	-57.17	305.79	7.47	-49.70
CC1=[NH+]C=C2CN(C(=O)C3=CC(Br)=CC(C(=O)[O-])=C3)CCN12	REAL300005366358	1	36	0.0	-53.68	314.99	8.44	-45.24
CC1=[NH+]C=C2CN(C(=O)C3=CC=CC=C3C3=CC=CC=C3C(=O)[O-])CCN12	REAL300005366359	1	46	0.0	-57.67	360.30	11.11	-46.56
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCN2C(C)=[NH+]C=C2C1	REAL300005366360	1	39	0.0	-68.13	325.23	7.75	-60.38
CC1=[NH+]C=C2CN(C(=O)CC3CCC(C(=O)[O-])CC3)CCN12	REAL300005366361	1	45	0.0	-60.92	333.43	9.03	-51.89
CC1=[NH+]C=C2CN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)CCN12	REAL300005366362	1	43	0.0	-78.08	321.52	8.31	-69.77
CC1=[NH+]C=C2CN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CCN12	REAL300005366363	1	46	0.0	-70.04	330.33	8.57	-61.47
CC1=[NH+]C=C2CN(C(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)CCN21	REAL300005366364	1	38	0.0	-79.90	323.82	6.92	-72.98
CC1=[NH+]C=C2CN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CCN21	REAL300005366365	1	43	0.0	-66.62	350.86	8.56	-58.06
CC1=[NH+]C=C2CN(C(=O)CC3CCCC4=CC=C(C(=O)[O-])C=C43)CCN12	REAL300005366366	1	49	0.0	-63.55	374.54	11.17	-52.38
CC1=[NH+]C=C2CN(C(=O)C3=CC=C(C=CC(=O)[O-])O3)CCN12	REAL300005366367	1	37	0.0	-57.86	312.37	7.91	-49.95
CC1=[NH+]C=C2CN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CCN12	REAL300005366368	1	43	0.0	-54.04	326.63	8.64	-45.40
CC1=[NH+]C=C2CN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)CCN12	REAL300005366369	1	40	0.0	-67.50	326.04	8.20	-59.30
CC1=[NH+]C=C2CN(C(=O)C3CC(C(=O)[O-])=NN3C3=CC=CC=C3)CCN21	REAL300005366370	1	45	0.0	-73.95	362.65	8.75	-65.20
CC1=[NH+]C=C2CN(C(=O)C3=CC=C(C=CC(=O)[O-])C=C3)CCN12	REAL300005366371	1	40	0.0	-71.99	327.13	9.21	-62.78
CC1=[NH+]C=C2CN(C(=O)C=CC3=CC(C(=O)[O-])=CO3)CCN12	REAL300005366372	1	37	0.0	-70.23	313.71	7.69	-62.54
CC1=[NH+]C=C2CN(C(=O)C3=CC=CC=C3CCC(=O)[O-])CCN12	REAL300005366373	1	42	0.0	-71.61	333.27	9.43	-62.18
CC1=[NH+]C=C2CN(C(=O)COCC3=C(C(=O)[O-])N=CO3)CCN21	REAL300005366374	1	39	0.0	-80.42	328.41	4.04	-76.38
CC1=[NH+]C=C2CN(C(=O)C=CC3=CC=C(C(=O)[O-])O3)CCN12	REAL300005366375	1	37	0.0	-62.68	315.14	8.07	-54.61
CC1=[NH+]C=C2CN(C(=O)C3=CC(C(=O)[O-])=CN=C3C)CCN21	REAL300005366376	1	38	0.0	-56.25	308.76	6.70	-49.55
CC1=[NH+]C=C2CN(C(=O)CCCN3C=CC(C(=O)[O-])=N3)CCN21	REAL300005366377	1	42	0.0	-90.52	345.32	7.81	-82.71
CC1=[NH+]C=C2CN(C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)CCN12	REAL300005366378	1	43	0.0	-79.82	335.36	8.02	-71.80
CC1=[NH+]C=C2CN(C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)CCN12	REAL300005366379	1	43	0.0	-69.90	338.42	7.08	-62.82
CC1=[NH+]C=C2CN(C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])CCN12	REAL300005366380	1	44	0.0	-50.66	326.23	9.50	-41.16
CC1=NC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCN12	REAL300005366381	0	44	0.0	-53.46	334.03	7.96	-45.50
CC1=NC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCN12	REAL300005366381	1	44	0.0	-54.59	333.99	7.98	-46.61
CC1=[NH+]C=C2CN(C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)CCN12	REAL300005366382	1	43	0.0	-54.53	338.88	9.54	-44.99
CC1=[NH+]C=C2CN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CCN21	REAL300005366383	1	43	0.0	-66.62	350.86	8.56	-58.06
CC1=[NH+]C=C2CN(C(=O)CN3C=C(C(=O)[O-])C4=CC=CC=C43)CCN12	REAL300005366384	1	43	0.0	-89.40	353.68	10.39	-79.01
CC1=[NH+]C=C2CN(C(=O)C3=CN=CC(C(=O)[O-])=C3C)CCN21	REAL300005366385	1	38	0.0	-64.93	302.92	6.60	-58.33
CC1=[NH+]C=C2CN(C(=O)C3=CC=C(C(=O)[O-])C=C3Cl)CCN12	REAL300005366386	1	36	0.0	-64.71	310.17	8.38	-56.33
CC1=[NH+]C=C2CN(C(=O)C3CC4(CC(C(=O)[O-])C4)C3)CCN12	REAL300005366387	1	43	0.0	-69.43	334.97	9.05	-60.38
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCN3C(=C[NH+]=C3C)C2)=C1	REAL300005366388	1	39	0.0	-48.60	320.57	6.37	-42.23
CC1=[NH+]C=C2CN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)CCN12	REAL300005366389	1	42	0.0	-66.23	338.59	9.50	-56.73
CC1=[NH+]C=C2CN(C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)CCN12	REAL300005366390	1	40	0.0	-58.07	329.31	8.73	-49.34
CC1=[NH+]C=C2CN(C(=O)C3=C(C)SC(C(=O)[O-])=C3)CCN12	REAL300005366391	1	36	0.0	-58.17	305.80	7.75	-50.42
CC1=[NH+]C=C2CN(C(=O)C3=CC4=C(SC(C(=O)[O-])=C4)S3)CCN12	REAL300005366392	1	36	0.0	-71.93	321.91	8.40	-63.53
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCN3C(C)=[NH+]C=C3C2)=C1	REAL300005366393	1	40	0.0	-67.53	335.38	7.54	-59.99
CC1=[NH+]C=C2CN(C(=O)C3=C(F)C=CC(C(=O)[O-])=C3C)CCN12	REAL300005366394	1	39	0.0	-58.96	323.60	8.62	-50.34
CC1=[NH+]C=C2CN(C(=O)C3=CC4=C(C(=O)[O-])C=CC=C4S3)CCN12	REAL300005366395	1	39	0.0	-76.83	328.13	9.14	-67.69
CC1=[NH+]C=C2CN(C(=O)CCC3=CC=CN=C3C(=O)[O-])CCN21	REAL300005366396	1	41	0.0	-66.64	330.07	7.80	-58.84
CC1=[NH+]C=C2CN(C(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300005366397	1	40	0.0	-73.88	328.99	9.43	-64.45
CC1=[NH+]C=C2CN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CCN12	REAL300005366398	1	43	0.0	-54.04	326.63	8.64	-45.40
CC1=[NH+]C=C2CN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)CCN21	REAL300005366399	1	37	0.0	-57.25	317.24	7.46	-49.79
CC1=[NH+]C=C2CN(C(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)CCN21	REAL300005366400	1	37	0.0	-69.66	317.33	7.60	-62.06
CC1=[NH+]C=C2CN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)CCN21	REAL300005366401	1	37	0.0	-58.76	308.42	6.61	-52.15
CC1=[NH+]C=C2CN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)CCN12	REAL300005366402	1	39	0.0	-74.32	324.83	7.70	-66.62
CC1=[NH+]C=C2CN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CCN12	REAL300005366403	1	41	0.0	-62.47	314.43	6.95	-55.52
CC1=[NH+]C=C2CN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CCN12	REAL300005366404	1	42	0.0	-71.84	333.93	9.96	-61.88
CC1=[NH+]C=C2CN(C(=O)CC3=CC=C(C(=O)[O-])C=C3C)CCN12	REAL300005366405	1	42	0.0	-83.81	337.04	9.45	-74.36
CC1=[NH+]C=C2CN(C(=O)CC3=CC(C(=O)[O-])=CS3)CCN12	REAL300005366406	1	36	0.0	-79.64	311.87	8.12	-71.52
CC1=[NH+]C=C2CN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)CCN12	REAL300005366407	1	39	0.0	-85.74	324.85	8.98	-76.76
CC1=[NH+]C=C2CN(C(=O)C3=C4CCCCC4=C(C(=O)[O-])S3)CCN12	REAL300005366408	1	43	0.0	-62.71	343.57	9.46	-53.25
CC1=[NH+]C=C2CN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CCN12	REAL300005366409	1	46	0.0	-70.04	330.33	8.57	-61.47
O=C([O-])C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005367761	0	50	0.0	-83.79	372.47	10.65	-73.14
O=C([O-])C[C@@H]1CCCN1C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005368535	0	47	0.0	-68.91	355.63	10.17	-58.74
O=C([O-])C[C@@H]1CCCN1C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005368535	1	47	0.0	-69.77	354.41	10.07	-59.70
O=C([O-])C[C@@H]1CCCN1C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300005369243	1	47	0.0	-68.15	367.21	10.26	-57.89
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CC1=NC(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=CC=C1C(=O)[O-]	REAL300005376724	0	46	0.0	-66.36	345.54	9.06	-57.30
CN(C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1CC[NH+](C2CC2)CC1	REAL300005376725	0	44	0.0	-63.46	353.76	9.92	-53.54
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005376726	0	44	0.0	-74.87	331.32	9.32	-65.55
CN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)C1CC[NH+](C2CC2)CC1	REAL300005376727	0	47	0.0	-77.59	352.61	10.06	-67.53
CN(C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005376728	0	54	0.0	-79.92	402.00	13.53	-66.39
CN(C(=O)C1=C(CC(=O)[O-])OC=C1)C1CC[NH+](C2CC2)CC1	REAL300005376729	0	44	0.0	-78.78	336.17	8.35	-70.43
CC1=COC(CC(=O)[O-])=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005376730	0	47	0.0	-75.78	364.08	9.21	-66.57
CN(C(=O)C1=CC(C(=O)[O-])=CC=N1)C1CC[NH+](C2CC2)CC1	REAL300005376731	0	43	0.0	-73.51	329.21	8.62	-64.89
CN(C(=O)CC1CCC(C(=O)[O-])CC1)C1CC[NH+](C2CC2)CC1	REAL300005376732	0	53	0.0	-78.05	379.22	10.64	-67.41
CN(C(=O)C12CCC(C(=O)[O-])(CC1)C2)C1CC[NH+](C2CC2)CC1	REAL300005376733	0	51	0.0	-81.83	359.92	9.78	-72.05
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CC[NH+](C2CC2)CC1	REAL300005376734	0	54	0.0	-74.59	371.10	10.09	-64.50
CN(C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1CC[NH+](C2CC2)CC1	REAL300005376735	0	46	0.0	-80.85	358.29	8.66	-72.19
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1CC[NH+](C2CC2)CC1	REAL300005376736	0	51	0.0	-75.75	391.10	10.06	-65.69
CN(C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1CC[NH+](C2CC2)CC1	REAL300005376737	0	57	0.0	-72.77	413.42	12.60	-60.17
CC1=C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)C=C(C(=O)[O-])O1	REAL300005376738	0	44	0.0	-68.41	336.88	8.73	-59.68
CC1=C(C(=O)[O-])OC(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=C1	REAL300005376739	0	44	0.0	-64.58	341.00	8.93	-55.65
CN(C(=O)CN1C=C(C(=O)[O-])C=N1)C1CC[NH+](C2CC2)CC1	REAL300005376740	0	44	0.0	-81.43	341.15	7.79	-73.64
CN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C1CC[NH+](C2CC2)CC1	REAL300005376741	0	45	0.0	-66.87	356.20	9.57	-57.30
CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1CC[NH+](C2CC2)CC1	REAL300005376742	0	51	0.0	-57.16	358.31	9.95	-47.21
CN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005376743	0	48	0.0	-74.71	361.43	9.58	-65.13
CN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1CC[NH+](C2CC2)CC1	REAL300005376744	0	53	0.0	-81.79	406.02	10.38	-71.41
CN(C(=O)CCSCC(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005376745	0	44	0.0	-70.93	344.26	8.89	-62.04
CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C1CC[NH+](C2CC2)CC1	REAL300005376746	0	43	0.0	-65.61	333.72	8.76	-56.85
CN(C(=O)C1=CC(C(=O)[O-])=NN1C)C1CC[NH+](C2CC2)CC1	REAL300005376747	0	44	0.0	-74.18	333.42	7.02	-67.16
C[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](C3CC3)CC2)O[C@H]1C(=O)[O-]	REAL300005376748	0	48	0.0	-80.92	350.76	8.94	-71.98
CN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005376749	0	47	0.0	-71.69	352.61	10.07	-61.62
CN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005376750	0	48	0.0	-76.33	362.52	10.59	-65.74
CN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C1CC[NH+](C2CC2)CC1	REAL300005376751	0	45	0.0	-73.71	357.02	9.33	-64.38
CN(C(=O)C1=CC=CC=C1CCC(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005376752	0	50	0.0	-75.18	371.33	10.83	-64.35
CN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C1CC[NH+](C2CC2)CC1	REAL300005376753	0	47	0.0	-83.14	367.18	5.45	-77.69
CN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C1CC[NH+](C2CC2)CC1	REAL300005376754	0	45	0.0	-70.38	358.59	9.70	-60.68
CC1=CC=C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)C=C1C(=O)[O-]	REAL300005376755	0	47	0.0	-83.41	346.60	9.82	-73.59
CN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C1CC[NH+](C2CC2)CC1	REAL300005376756	0	43	0.0	-63.01	327.68	7.55	-55.46
CC1=NC=C(C(=O)[O-])C=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005376757	0	46	0.0	-64.68	347.00	8.14	-56.54
CN(C(=O)CN1C=CC(C(=O)[O-])=N1)C1CC[NH+](C2CC2)CC1	REAL300005376758	0	44	0.0	-91.46	340.49	7.82	-83.64
CN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C1CC[NH+](C2CC2)CC1	REAL300005376759	0	50	0.0	-91.30	384.10	9.23	-82.07
CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1CC[NH+](C2CC2)CC1	REAL300005376760	0	51	0.0	-81.36	374.62	9.47	-71.89
CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1CC[NH+](C2CC2)CC1	REAL300005376761	0	51	0.0	-74.40	376.10	8.42	-65.98
CC1=C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)OC(C(=O)[O-])=C1	REAL300005376762	0	44	0.0	-65.02	336.39	8.81	-56.21
CN(C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005376763	0	52	0.0	-69.08	362.06	11.32	-57.76
CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005376764	0	50	0.0	-75.34	340.85	10.05	-65.29
CN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1CC[NH+](C2CC2)CC1	REAL300005376766	0	51	0.0	-65.18	378.88	11.22	-53.96
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1CC[NH+](C2CC2)CC1	REAL300005376767	0	51	0.0	-75.75	391.10	10.06	-65.69
CN(C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1CC[NH+](C2CC2)CC1	REAL300005376768	0	51	0.0	-91.98	392.44	11.78	-80.20
CN(C(=O)C1CC2(CC2C(=O)[O-])C1)C1CC[NH+](C2CC2)CC1	REAL300005376769	0	48	0.0	-74.48	355.04	10.00	-64.48
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005376770	0	50	0.0	-66.21	369.47	9.97	-56.24
CC1=CC=C(C(=O)[O-])C=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005376771	0	47	0.0	-66.94	355.95	10.20	-56.74
CN(C(=O)C1=C(C(=O)[O-])SC=C1)C1CC[NH+](C2CC2)CC1	REAL300005376772	0	41	0.0	-76.54	321.33	9.25	-67.29
CC1=C(C(=O)[O-])C=NC=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005376773	0	46	0.0	-72.17	341.92	7.98	-64.19
CC1=CC(C(=O)[O-])=CC=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005376774	0	47	0.0	-74.53	352.31	9.96	-64.57
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1CC[NH+](C2CC2)CC1	REAL300005376775	0	44	0.0	-72.71	347.84	9.83	-62.88
CN(C(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1CC[NH+](C2CC2)CC1	REAL300005376776	0	51	0.0	-75.49	373.97	10.49	-65.00
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=C1	REAL300005376777	0	47	0.0	-60.81	359.47	7.89	-52.92
CN(C(=O)C1=CC=C(C(=O)[O-])N1C)C1CC[NH+](C2CC2)CC1	REAL300005376778	0	45	0.0	-76.10	332.02	8.58	-67.52
CN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005376779	0	50	0.0	-73.84	374.01	10.87	-62.97
CC1=NNC(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=C1C(=O)[O-]	REAL300005376780	0	44	0.0	-63.74	336.60	6.26	-57.48
CC1=C(C(=O)[O-])C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=NN1	REAL300005376780	1	44	0.0	-78.21	330.17	7.88	-70.33
CN(C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1CC[NH+](C2CC2)CC1	REAL300005376781	0	48	0.0	-76.62	362.78	10.80	-65.82
CN(C(=O)C1=CSC(C(=O)[O-])=N1)C1CC[NH+](C2CC2)CC1	REAL300005376782	0	40	0.0	-60.63	321.34	7.44	-53.19
CC1=C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)C=C(C(=O)[O-])S1	REAL300005376783	0	44	0.0	-67.41	343.88	9.19	-58.22
CN(C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1CC[NH+](C2CC2)CC1	REAL300005376784	0	44	0.0	-80.20	358.81	9.78	-70.42
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)C2CC[NH+](C3CC3)CC2)=C1	REAL300005376785	0	48	0.0	-74.84	373.43	8.99	-65.85
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005376786	0	47	0.0	-66.46	358.58	9.94	-56.52
CN(C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1CC[NH+](C2CC2)CC1	REAL300005376787	0	47	0.0	-87.53	364.69	10.47	-77.06
CN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005376788	0	49	0.0	-75.31	372.37	9.36	-65.95
CN(C(=O)C12CC(C(=O)[O-])(C1)CO2)C1CC[NH+](C2CC2)CC1	REAL300005376789	0	46	0.0	-68.71	346.54	7.78	-60.93
CN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C2CC2)CC1	REAL300005376790	0	48	0.0	-77.44	368.10	10.88	-66.56
CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1CC[NH+](C2CC2)CC1	REAL300005376791	0	51	0.0	-57.16	358.31	9.95	-47.21
CN(C(=O)C1=C(C(=O)[O-])C=NN1C)C1CC[NH+](C2CC2)CC1	REAL300005376792	0	44	0.0	-73.36	341.28	7.04	-66.32
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1CC[NH+](C2CC2)CC1	REAL300005376793	0	45	0.0	-66.88	355.21	8.98	-57.90
CN(C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1CC[NH+](C2CC2)CC1	REAL300005376794	0	45	0.0	-76.62	355.41	9.10	-67.52
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1CC[NH+](C2CC2)CC1	REAL300005376795	0	45	0.0	-68.35	346.55	8.12	-60.23
CC1=C(C(=O)[O-])C=CC=C1C(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005376796	0	47	0.0	-78.03	350.59	10.10	-67.93
CN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1CC[NH+](C2CC2)CC1	REAL300005376797	0	47	0.0	-78.76	363.89	9.11	-69.65
CN(C(=O)C1=CC(C(=O)[O-])=CS1)C1CC[NH+](C2CC2)CC1	REAL300005376798	0	41	0.0	-84.40	322.75	8.21	-76.19
CN(C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1CC[NH+](C2CC2)CC1	REAL300005376799	0	49	0.0	-67.64	353.16	8.19	-59.45
CN(C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1CC[NH+](C2CC2)CC1	REAL300005376800	0	50	0.0	-78.77	371.97	11.40	-67.37
CC(C)[C@]1(C(=O)N(C)C2CC[NH+](C3CC3)CC2)C[C@H]1C(=O)[O-]	REAL300005376801	0	50	0.0	-63.88	355.31	9.31	-54.57
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)C1CC[NH+](C2CC2)CC1	REAL300005376802	0	50	0.0	-84.78	375.81	10.85	-73.93
CN(C(=O)CC1=CC(C(=O)[O-])=CS1)C1CC[NH+](C2CC2)CC1	REAL300005376803	0	44	0.0	-80.03	355.05	9.72	-70.31
CN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1CC[NH+](C2CC2)CC1	REAL300005376804	0	47	0.0	-86.03	363.63	10.41	-75.62
CN(C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1CC[NH+](C2CC2)CC1	REAL300005376805	0	51	0.0	-72.88	378.43	10.72	-62.16
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CC[NH+](C2CC2)CC1	REAL300005376806	0	54	0.0	-74.59	371.10	10.09	-64.50
CC(C)(C)C(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005376885	1	51	0.0	-52.41	383.01	9.32	-43.09
CC(C)(C)C(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005376885	1	51	0.0	-60.63	377.75	9.37	-51.26
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1(C(=O)N2CCOCC2)CCCCC1	REAL300005377001	0	58	0.0	-58.41	403.09	7.26	-51.15
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1(C(=O)N2CCOCC2)CCCCC1	REAL300005377001	1	58	0.0	-62.20	403.62	7.60	-54.60
COC1=CC=C(C[C@@H]2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300005377187	0	58	0.0	-49.40	427.88	9.83	-39.57
COC1=CC=C(C[C@@H]2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300005377187	1	58	0.0	-50.61	422.65	10.05	-40.56
C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300005377218	0	47	0.0	-91.43	393.50	1.30	-90.13
C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300005377218	1	47	0.0	-76.64	393.18	1.12	-75.52
C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CC=CC=C2SCC2=C(C(=O)[O-])C=CO2)C1	REAL300005377219	0	46	0.0	-91.11	385.35	5.67	-85.44
C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CC=CC=C2SCC2=C(C(=O)[O-])C=CO2)C1	REAL300005377219	1	46	0.0	-93.76	385.14	5.66	-88.10
CC(SC1=CC=CC=C1C(=O)N[C@@H]1C[N@H+](C)C[C@H]1O)C(=O)[O-]	REAL300005377220	0	42	0.0	-88.82	341.71	4.38	-84.44
CC(SC1=CC=CC=C1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1O)C(=O)[O-]	REAL300005377220	1	42	0.0	-90.45	341.78	4.39	-86.06
CCOC1=CC(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2O)=CC=C1OCC(=O)[O-]	REAL300005377221	0	46	0.0	-86.36	371.20	3.58	-82.78
CCOC1=CC(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2O)=CC=C1OCC(=O)[O-]	REAL300005377221	1	46	0.0	-87.38	371.28	3.62	-83.76
C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005377222	0	43	0.0	-82.48	367.87	-0.99	-83.47
C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005377222	1	43	0.0	-83.64	367.55	-0.98	-84.62
C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005377223	1	37	0.0	-82.30	317.05	3.31	-78.99
C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005377223	1	37	0.0	-84.31	317.42	3.32	-80.99
CC1=NN(C2=CC=C(C(=O)N[C@@H]3C[N@H+](C)C[C@H]3O)C=C2)C(C)=C1CCC(=O)[O-]	REAL300005377224	0	54	0.0	-85.64	427.96	6.27	-79.37
CC1=NN(C2=CC=C(C(=O)N[C@@H]3C[N@@H+](C)C[C@H]3O)C=C2)C(C)=C1CCC(=O)[O-]	REAL300005377224	1	54	0.0	-87.21	428.11	6.29	-80.92
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O=C([O-])C1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300005382541	0	52	0.0	-60.51	391.70	8.02	-52.49
O=C([O-])C1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300005382541	1	52	0.0	-60.80	393.99	7.94	-52.86
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300005382547	1	48	0.0	-56.16	367.35	9.79	-46.37
C[NH+](C)CC1=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)OC2=CC=CC=C21	REAL300005382548	0	50	0.0	-65.39	377.74	10.48	-54.91
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC12CCC2	REAL300005382553	0	51	0.0	-52.97	352.65	10.13	-42.84
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2C2CCCC2)CC12CCC2	REAL300005382553	1	51	0.0	-54.53	366.05	9.97	-44.56
O=C([O-])C1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC12CCC2	REAL300005382581	1	52	0.0	-53.54	391.45	11.39	-42.15
CC(C)C(C(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[NH+]1CC(C)OC(C)C1	REAL300005382582	1	57	0.0	-54.61	394.80	9.33	-45.28
CC(C(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[NH+]1CCCCCC1	REAL300005382583	0	50	0.0	-53.49	349.23	8.90	-44.59
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=CC=C1N2	REAL300005382619	1	52	0.0	-65.93	391.35	10.08	-55.85
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=CC=C1N2	REAL300005382619	1	52	0.0	-66.22	391.59	10.05	-56.17
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)O1	REAL300005382677	0	50	0.0	-64.46	374.42	9.56	-54.90
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCCC2)CC12CCC2	REAL300005382678	0	50	0.0	-64.65	373.18	9.94	-54.71
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)CC2)[NH+]=C1	REAL300005382680	1	53	0.0	-60.74	396.16	9.57	-51.17
C[N@H+](CC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)CC1=CC=CC=C1	REAL300005382681	1	47	0.0	-60.74	357.32	10.14	-50.60
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)CC1=CC=CC=C1	REAL300005382681	1	47	0.0	-60.84	357.37	10.14	-50.70
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=C2)CC1	REAL300005382685	0	59	0.0	-67.87	423.22	10.01	-57.86
O=C([O-])C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC12CCC2	REAL300005382699	1	42	0.0	-79.32	335.28	7.63	-71.69
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=NO1	REAL300005382728	1	43	0.0	-74.31	335.57	7.76	-66.55
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300005382734	0	54	0.0	-63.20	403.65	11.50	-51.70
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300005382734	1	54	0.0	-62.79	400.81	11.67	-51.12
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300005382758	0	55	0.0	-72.41	423.15	11.07	-61.34
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300005382775	0	48	0.0	-68.70	361.85	8.78	-59.92
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC12CCC2	REAL300005382781	0	51	0.0	-63.98	383.72	10.25	-53.73
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)[C@@H](C(F)(F)F)C1	REAL300005382822	0	53	0.0	-58.70	392.21	9.61	-49.09
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)[C@@H](C(F)(F)F)C1	REAL300005382822	1	53	0.0	-57.93	389.69	9.59	-48.34
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300005382966	0	50	0.0	-56.47	354.35	9.47	-47.00
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300005382966	1	50	0.0	-60.92	365.93	9.54	-51.38
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300005382998	0	50	0.0	-55.47	359.12	9.21	-46.26
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300005382998	1	50	0.0	-54.54	359.23	9.22	-45.32
O=C([O-])C1CN(C(=O)C[NH+]2CCC(CO)CC2)CC12CCC2	REAL300005383001	0	48	0.0	-58.80	354.09	5.72	-53.08
O=C([O-])C1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC12CCC2	REAL300005383095	0	55	0.0	-61.31	406.28	11.86	-49.45
O=C([O-])C1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC12CCC2	REAL300005383095	1	55	0.0	-60.63	407.33	11.80	-48.83
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC12CCC2	REAL300005383133	1	54	0.0	-59.41	392.85	11.29	-48.12
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC12CCC2	REAL300005383133	1	54	0.0	-55.94	402.04	11.67	-44.27
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300005383222	0	50	0.0	-56.86	357.53	9.21	-47.65
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300005383222	1	50	0.0	-57.11	353.48	9.02	-48.09
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(C(F)(F)F)C1	REAL300005383223	0	44	0.0	-71.24	331.34	8.34	-62.90
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(C(F)(F)F)C1	REAL300005383223	1	44	0.0	-64.75	343.20	8.20	-56.55
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)N1	REAL300005383249	1	45	0.0	-56.98	352.13	7.92	-49.06
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300005383723	0	50	0.0	-71.62	379.01	10.53	-61.09
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300005383729	0	51	0.0	-68.18	385.00	9.43	-58.75
O=C([O-])C1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCC2	REAL300005383819	0	57	0.0	-66.51	420.36	12.53	-53.98
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=C2)CCO1	REAL300005383821	1	55	0.0	-71.65	403.56	9.86	-61.79
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=C2)CCO1	REAL300005383821	1	55	0.0	-70.79	402.53	9.80	-60.99
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300005383864	0	50	0.0	-60.09	350.36	9.03	-51.06
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300005383930	0	53	0.0	-60.08	377.94	10.01	-50.07
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300005383930	1	53	0.0	-60.08	377.94	10.01	-50.07
CN(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)O1	REAL300005383935	0	44	0.0	-62.73	339.84	8.35	-54.38
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)O1	REAL300005383935	1	44	0.0	-62.73	339.84	8.35	-54.38
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300005383940	0	53	0.0	-68.04	363.78	9.22	-58.82
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300005383940	1	53	0.0	-68.04	363.78	9.22	-58.82
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC12CCC2	REAL300005383943	0	46	0.0	-48.63	329.20	9.73	-38.90
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005385004	0	51	0.0	-85.24	379.47	11.82	-73.42
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CN12	REAL300005386273	1	43	0.0	-71.87	321.76	9.29	-62.58
CC1=NC(C[NH+]2CCC(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CC2)=CS1	REAL300005386325	1	50	0.0	-83.14	386.47	10.06	-73.08
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300005386385	0	54	0.0	-88.53	411.88	11.60	-76.93
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300005386391	0	54	0.0	-85.65	409.41	13.45	-72.20
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300005386391	1	54	0.0	-86.67	408.94	13.61	-73.06
C[NH+](C)CC1(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CCCCC1	REAL300005386455	0	50	0.0	-87.75	322.44	9.79	-77.96
C[N@H+](CCC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1CCCCC1	REAL300005386457	0	50	0.0	-75.94	356.39	10.47	-65.47
C[N@@H+](CCC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1CCCCC1	REAL300005386457	1	50	0.0	-75.33	356.38	10.46	-64.87
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005386516	0	44	0.0	-89.35	344.07	9.03	-80.32
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005386535	0	52	0.0	-87.19	370.68	8.91	-78.28
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CCCC[NH+]1CCOCC1	REAL300005386559	1	48	0.0	-83.85	356.33	8.46	-75.39
CC[N@H+](CC1=CC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1)C(C)C	REAL300005386560	0	53	0.0	-91.68	380.55	11.50	-80.18
CC[N@@H+](CC1=CC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1)C(C)C	REAL300005386560	1	53	0.0	-95.70	372.21	11.19	-84.51
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005386576	0	48	0.0	-76.63	360.35	11.14	-65.49
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005386576	1	48	0.0	-76.00	360.67	11.13	-64.87
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005386577	0	49	0.0	-89.42	358.93	10.40	-79.02
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005386599	0	52	0.0	-76.20	354.36	8.51	-67.69
CC(C(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005386602	0	47	0.0	-68.25	351.52	10.76	-57.49
CC(C(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005386602	1	47	0.0	-67.00	351.52	10.76	-56.24
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005386610	0	54	0.0	-68.04	390.94	12.70	-55.34
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005386610	1	54	0.0	-78.82	397.30	12.63	-66.19
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=N1	REAL300005386627	0	43	0.0	-88.60	328.49	7.97	-80.63
CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300005386634	0	52	0.0	-77.45	380.63	11.09	-66.36
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005386652	0	48	0.0	-95.35	357.31	11.03	-84.32
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005386657	0	51	0.0	-82.91	373.18	11.81	-71.10
CCN1CCC([NH+]2CCC(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CC2)CC1	REAL300005386663	0	59	0.0	-79.42	409.58	9.36	-70.06
CC1C[NH+](CC2=CC=C(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CC(C)O1	REAL300005386670	1	55	0.0	-97.57	401.07	10.80	-86.77
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005386679	1	52	0.0	-88.25	392.34	11.16	-77.09
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005386679	1	52	0.0	-85.14	392.31	11.16	-73.98
CC1=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005386694	1	42	0.0	-86.77	330.48	8.28	-78.49
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005386697	0	51	0.0	-96.56	373.57	11.81	-84.75
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005386707	1	44	0.0	-84.26	339.49	9.27	-74.99
C[NH+](C)CCC1=CC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300005386708	0	47	0.0	-99.62	354.76	10.86	-88.76
CC(C(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005386722	0	57	0.0	-68.30	414.67	13.25	-55.05
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300005386749	0	47	0.0	-69.91	356.90	11.16	-58.75
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300005386749	1	47	0.0	-69.72	357.20	11.19	-58.53
COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300005386750	0	51	0.0	-75.54	386.10	7.49	-68.05
COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300005386750	1	51	0.0	-75.77	386.24	7.51	-68.26
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005386757	0	56	0.0	-82.14	412.36	11.01	-71.13
CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300005386788	0	52	0.0	-82.80	372.11	7.88	-74.92
CC(C)N1CC[NH+](CCC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300005386788	1	52	0.0	-74.97	373.12	8.09	-66.88
CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300005386789	0	55	0.0	-80.20	394.80	8.85	-71.35
CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300005386789	1	55	0.0	-78.29	394.71	8.87	-69.42
C[NH+](C)CCN1C=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=N1	REAL300005386791	0	44	0.0	-102.05	336.69	8.05	-94.00
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CC2)=C1	REAL300005386794	0	56	0.0	-78.73	411.65	10.84	-67.89
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005386796	0	53	0.0	-78.59	390.75	10.22	-68.37
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005386799	0	50	0.0	-81.45	374.10	10.12	-71.33
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005386799	1	50	0.0	-75.17	369.57	9.92	-65.25
CC(C(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005386804	1	48	0.0	-68.43	355.34	11.07	-57.36
CC(C(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005386804	1	48	0.0	-65.85	354.57	11.15	-54.70
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005386823	0	51	0.0	-82.36	380.79	11.98	-70.38
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005386823	1	51	0.0	-82.43	384.27	12.09	-70.34
C[NH+](C)CCN1C=CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300005386834	0	44	0.0	-99.13	339.48	8.62	-90.51
C[NH+](C)CCN1N=CC=C1C(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300005386835	0	44	0.0	-62.40	331.58	7.94	-54.46
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300005386836	1	45	0.0	-70.47	343.92	10.00	-60.47
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=NN1	REAL300005386839	1	45	0.0	-88.49	335.21	7.81	-80.68
C[N@H+]1CCCC1C1=CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=NN1	REAL300005386839	1	45	0.0	-86.44	335.16	7.81	-78.63
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005386847	0	51	0.0	-68.20	375.28	11.92	-56.28
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005386847	1	51	0.0	-76.66	381.11	11.84	-64.82
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005386851	0	52	0.0	-77.20	388.50	9.63	-67.57
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005386884	0	51	0.0	-76.36	360.93	10.62	-65.74
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005386884	1	51	0.0	-76.07	360.43	10.58	-65.49
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=C2)CC1	REAL300005386909	0	53	0.0	-90.75	391.13	9.32	-81.43
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CC1	REAL300005386910	0	53	0.0	-96.02	391.17	9.33	-86.69
CN1CC[NH+](CC2=CC=C(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CC1	REAL300005386910	1	53	0.0	-97.58	389.97	9.25	-88.33
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300005386911	0	54	0.0	-91.61	397.53	11.01	-80.60
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005386982	0	55	0.0	-98.82	405.73	9.05	-89.77
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300005386986	0	44	0.0	-82.87	332.62	9.90	-72.97
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005386987	0	51	0.0	-77.71	378.88	11.96	-65.75
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005386987	1	51	0.0	-72.84	374.75	11.76	-61.08
CC[NH+]1CCN(CCC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300005387028	0	49	0.0	-81.61	356.08	7.46	-74.15
CCN1CC[NH+](CCC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300005387028	1	49	0.0	-74.73	356.08	7.49	-67.24
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300005387034	1	45	0.0	-70.23	347.60	10.16	-60.07
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=CC=C1N2	REAL300005387077	1	49	0.0	-105.80	367.27	10.41	-95.39
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=CC=C1N2	REAL300005387077	1	49	0.0	-106.74	367.03	10.43	-96.31
CC[NH+](CC)CC1=CC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])O1	REAL300005387117	0	47	0.0	-87.25	355.61	10.10	-77.15
CC1=CC=C(N2CCC(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CC2)[NH+]=C1	REAL300005387118	1	50	0.0	-80.75	371.17	9.53	-71.22
C[N@H+](CC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300005387119	1	44	0.0	-71.18	334.42	10.33	-60.85
C[N@@H+](CC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300005387119	1	44	0.0	-71.50	334.77	10.34	-61.16
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CC1	REAL300005387122	0	56	0.0	-94.24	400.79	10.27	-83.97
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005387130	1	39	0.0	-86.77	311.84	7.92	-78.85
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300005387156	0	51	0.0	-88.68	378.18	11.58	-77.10
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300005387156	1	51	0.0	-77.63	379.09	11.71	-65.92
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300005387173	0	52	0.0	-94.23	399.46	11.30	-82.93
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005387187	0	48	0.0	-88.92	360.36	10.52	-78.40
C[N@@H+]1CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C(C(F)(F)F)C1	REAL300005387471	0	41	0.0	-81.30	304.77	7.94	-73.36
C[N@H+]1CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C(C(F)(F)F)C1	REAL300005387471	1	41	0.0	-69.69	310.89	8.02	-61.67
C[NH+](C)CCC1=CC=CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300005387803	0	47	0.0	-85.91	355.12	10.73	-75.18
C[NH+](C)CCOC1=CC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300005387808	0	48	0.0	-93.32	362.82	9.68	-83.64
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005387876	0	54	0.0	-80.66	397.46	12.68	-67.98
CC1C[N@H+](CC2=CC=C(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CCO1	REAL300005387878	1	52	0.0	-98.34	378.83	10.12	-88.22
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CCO1	REAL300005387878	1	52	0.0	-98.42	379.69	10.17	-88.25
CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300005387937	0	50	0.0	-80.18	349.49	10.13	-70.05
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300005387937	1	50	0.0	-66.02	348.26	10.36	-55.66
C[NH+]1CC23CN(C(=O)C4=CC=C(C(=O)[O-])C=C4)CC2(C1)CCCC3	REAL300005387948	0	48	0.0	-70.03	352.15	9.38	-60.65
C[NH+]1CC23CN(C(=O)C4=CC=CC(OCC(=O)[O-])=C4)CC2(C1)CCCC3	REAL300005387949	0	52	0.0	-76.10	383.06	9.66	-66.44
C[NH+]1CC23CN(C(=O)C4=CC=CC(C(=O)[O-])=C4)CC2(C1)CCCC3	REAL300005387950	0	48	0.0	-77.74	351.99	9.37	-68.37
C[NH+]1CC23CN(C(=O)C4=CC=C(C(=O)[O-])S4)CC2(C1)CCCC3	REAL300005387951	0	45	0.0	-79.49	343.93	8.54	-70.95
C[NH+]1CC23CN(C(=O)C4=CC=CC(C(=O)[O-])=N4)CC2(C1)CCCC3	REAL300005387952	0	47	0.0	-57.13	350.27	8.52	-48.61
CC(SC1=CC=CC=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3)C(=O)[O-]	REAL300005387953	0	55	0.0	-94.63	408.73	11.26	-83.37
C[NH+]1CC23CN(C(=O)CCC4=CC=C(C(=O)[O-])C=C4)CC2(C1)CCCC3	REAL300005387954	0	54	0.0	-77.91	401.74	11.31	-66.60
C[NH+]1CC23CN(C(=O)C4=CC=NC(C(=O)[O-])=C4)CC2(C1)CCCC3	REAL300005387955	0	47	0.0	-80.12	347.77	7.61	-72.51
C[NH+]1CC23CN(C(=O)C=CC4=CC=C(C(=O)[O-])C=C4)CC2(C1)CCCC3	REAL300005387956	0	52	0.0	-76.90	388.93	10.97	-65.93
C[NH+]1CC23CN(C(=O)C4=CC(C(=O)[O-])=CC([N+](=O)[O-])=C4)CC2(C1)CCCC3	REAL300005387957	0	50	0.0	-60.80	380.67	10.07	-50.73
C[NH+]1CC23CN(C(=O)C4=CC(C(=O)[O-])=CC([N+](=O)[O-])=C4)CC2(C1)CCCC3	REAL300005387958	0	50	0.0	-60.80	380.67	10.07	-50.73
C[NH+]1CC23CN(C(=O)C4=CC(C(=O)[O-])=NN4C4=CC=CC=C4)CC2(C1)CCCC3	REAL300005387959	0	55	0.0	-71.28	408.43	10.54	-60.74
C[NH+]1CC23CN(C(=O)C4=CC=C(C(=O)[O-])O4)CC2(C1)CCCC3	REAL300005387960	0	45	0.0	-73.06	337.13	8.15	-64.91
C[NH+]1CC23CN(C(=O)CCC4=CC=CC=C4C(=O)[O-])CC2(C1)CCCC3	REAL300005387961	0	54	0.0	-77.30	393.10	11.03	-66.27
CC1=CC(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)=CC(C)=C1OCC(=O)[O-]	REAL300005387962	0	58	0.0	-72.84	424.93	11.11	-61.73
C[NH+]1CC23CN(C(=O)CC4=CC=CC(C(=O)[O-])=C4)CC2(C1)CCCC3	REAL300005387963	0	51	0.0	-88.85	380.34	10.49	-78.36
C[NH+]1CC23CN(C(=O)C4CCCC(C(=O)[O-])C4)CC2(C1)CCCC3	REAL300005387964	0	54	0.0	-94.66	374.98	9.66	-85.00
C[NH+]1CC23CN(C(=O)C4=CC=C(C(=O)[O-])N=C4)CC2(C1)CCCC3	REAL300005387965	0	47	0.0	-69.51	348.42	7.55	-61.96
C[NH+]1CC23CN(C(=O)C4=CC=C(C(=O)[O-])C=N4)CC2(C1)CCCC3	REAL300005387966	0	47	0.0	-61.42	349.53	8.54	-52.88
C[NH+]1CC23CN(C(=O)CC(C)(C)CC(=O)[O-])CC2(C1)CCCC3	REAL300005387967	0	53	0.0	-68.26	362.25	10.00	-58.26
C[NH+]1CC23CN(C(=O)C4=CC=C(C(=O)[O-])C=C4F)CC2(C1)CCCC3	REAL300005387968	0	48	0.0	-86.40	358.05	9.48	-76.92
C[NH+]1CC23CN(C(=O)C4=CN=C(C(=O)[O-])C=N4)CC2(C1)CCCC3	REAL300005387969	0	46	0.0	-77.83	343.35	6.63	-71.20
C[NH+]1CC23CN(C(=O)[C@H]4CC[C@H](C(=O)[O-])CC4)CC2(C1)CCCC3	REAL300005387970	0	54	0.0	-73.03	380.06	9.79	-63.24
C[NH+]1CC23CN(C(=O)C4CCC(C(=O)[O-])CC4)CC2(C1)CCCC3	REAL300005387971	0	54	0.0	-86.81	368.91	9.50	-77.31
C[NH+]1CC23CN(C(=O)CC4=CC=C(C(=O)[O-])C=C4)CC2(C1)CCCC3	REAL300005387972	0	51	0.0	-86.08	380.34	10.51	-75.57
C[NH+]1CC23CN(C(=O)CN4C=C(C(=O)[O-])N=N4)CC2(C1)CCCC3	REAL300005387973	0	47	0.0	-87.53	356.61	6.38	-81.15
CC1=NC(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)=CC=C1C(=O)[O-]	REAL300005387974	0	50	0.0	-75.01	364.57	9.02	-65.99
C[NH+]1CC23CN(C(=O)C4=CC=C(C(=O)[O-])C=C4)CC2(C1)CCCC3	REAL300005387975	0	48	0.0	-70.03	352.15	9.38	-60.65
C[NH+]1CC23CN(C(=O)[C@H]4CC[C@@H](C(=O)[O-])C4)CC2(C1)CCCC3	REAL300005387976	0	51	0.0	-91.84	359.96	9.17	-82.67
C[NH+]1CC23CN(C(=O)C4=CC=CC(CC(=O)[O-])=C4)CC2(C1)CCCC3	REAL300005387977	0	51	0.0	-68.06	374.15	10.14	-57.92
C[NH+]1CC23CN(C(=O)C4=C(CC(=O)[O-])OC=C4)CC2(C1)CCCC3	REAL300005387978	0	48	0.0	-92.01	351.89	8.40	-83.61
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005387979	0	51	0.0	-71.16	383.50	9.27	-61.89
C[NH+]1CC23CN(C(=O)C4=CC(C(=O)[O-])=CC=N4)CC2(C1)CCCC3	REAL300005387980	0	47	0.0	-71.19	349.74	8.56	-62.63
C[NH+]1CC23CN(C(=O)C45CC(C(=O)[O-])(C4)C5)CC2(C1)CCCC3	REAL300005387981	0	49	0.0	-78.29	353.37	9.23	-69.06
C[NH+]1CC23CN(C(=O)C4(C(=O)[O-])CCC4)CC2(C1)CCCC3	REAL300005387982	0	48	0.0	-68.07	326.58	8.16	-59.91
C[NH+]1CC23CN(C(=O)CC4CCC(C(=O)[O-])CC4)CC2(C1)CCCC3	REAL300005387983	0	57	0.0	-74.24	392.12	10.49	-63.75
C[NH+]1CC23CN(C(=O)C45CCC(C(=O)[O-])(CC4)C5)CC2(C1)CCCC3	REAL300005387984	0	55	0.0	-83.75	381.16	9.78	-73.97
C[NH+]1CC23CN(C(=O)C45CCC(C(=O)[O-])(CC4)CC5)CC2(C1)CCCC3	REAL300005387985	0	58	0.0	-84.79	385.28	9.97	-74.82
C[NH+]1CC23CN(C(=O)CC(C)(C)CC(=O)[O-])CC2(C1)CCCC3	REAL300005387986	0	53	0.0	-68.26	362.25	10.00	-58.26
CC(CC(=O)[O-])CC(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005387987	0	50	0.0	-74.97	355.08	8.88	-66.09
C[NH+]1CC23CN(C(=O)C4=CC=NC5=C(C(=O)[O-])C=NN54)CC2(C1)CCCC3	REAL300005387988	0	50	0.0	-105.30	382.94	8.53	-96.77
C[NH+]1CC23CN(C(=O)C4=C(CC(=O)[O-])C5=CC=CC=C5N4)CC2(C1)CCCC3	REAL300005387989	0	55	0.0	-98.58	402.27	10.64	-87.94
C[NH+]1CC23CN(C(=O)C4=NOC(C(=O)[O-])=C4)CC2(C1)CCCC3	REAL300005387990	0	44	0.0	-75.12	332.16	7.58	-67.54
C[NH+]1CC23CN(C(=O)C4(C(=O)[O-])CCCC4)CC2(C1)CCCC3	REAL300005387991	0	51	0.0	-71.97	341.80	8.70	-63.27
C[NH+]1CC23CN(C(=O)CC4CCCC5=CC=C(C(=O)[O-])C=C54)CC2(C1)CCCC3	REAL300005387992	0	61	0.0	-78.14	433.11	12.71	-65.43
CC1=C(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)C=C(C(=O)[O-])O1	REAL300005387993	0	48	0.0	-63.93	355.13	8.66	-55.27
CC1=C(C(=O)[O-])OC(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)=C1	REAL300005387994	0	48	0.0	-72.59	355.60	8.79	-63.80
C[NH+]1CC23CN(C(=O)CN4C=C(C(=O)[O-])C=N4)CC2(C1)CCCC3	REAL300005387995	0	48	0.0	-83.90	361.49	7.86	-76.04
C[NH+]1CC23CN(C(=O)C4=CC=C(C=CC(=O)[O-])O4)CC2(C1)CCCC3	REAL300005387996	0	49	0.0	-72.95	370.79	9.41	-63.54
C[NH+]1CC23CN(C(=O)C4(C(=O)[O-])CC5(CCC5)C4)CC2(C1)CCCC3	REAL300005387997	0	55	0.0	-70.18	382.94	10.11	-60.07
C[NH+]1CC23CN(C(=O)C4=CC=C(OCC(=O)[O-])C=C4)CC2(C1)CCCC3	REAL300005387998	0	52	0.0	-72.40	381.73	9.58	-62.82
C[NH+]1CC23CN(C(=O)C4CC(C(=O)[O-])=NN4C4=CC=CC=C4)CC2(C1)CCCC3	REAL300005387999	0	57	0.0	-89.87	420.41	10.29	-79.58
C[NH+]1CC23CN(C(=O)CCSCC(=O)[O-])CC2(C1)CCCC3	REAL300005388000	0	48	0.0	-69.99	365.50	9.01	-60.98
C[NH+]1CC23CN(C(=O)C4=CC=C(C(=O)[O-])C=N4)CC2(C1)CCCC3	REAL300005388001	0	47	0.0	-61.42	349.53	8.54	-52.88
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388002	0	48	0.0	-69.60	353.40	7.17	-62.43
C[C@@H]1C[C@H](C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)O[C@H]1C(=O)[O-]	REAL300005388003	0	52	0.0	-89.97	372.57	9.19	-80.78
C[NH+]1CC23CN(C(=O)C(C)(C)CCC(=O)[O-])CC2(C1)CCCC3	REAL300005388004	0	53	0.0	-78.24	362.51	8.72	-69.52
C[NH+]1CC23CN(C(=O)C4=CC=C(CC(=O)[O-])C=C4)CC2(C1)CCCC3	REAL300005388005	0	51	0.0	-70.80	374.32	10.15	-60.65
C[NH+]1CC23CN(C(=O)C4=CC=C(C=CC(=O)[O-])C=C4)CC2(C1)CCCC3	REAL300005388006	0	52	0.0	-74.64	384.24	10.67	-63.97
C[NH+]1CC23CN(C(=O)C=CC4=CC(C(=O)[O-])=CO4)CC2(C1)CCCC3	REAL300005388007	0	49	0.0	-69.28	370.85	10.00	-59.28
C[NH+]1CC23CN(C(=O)C4=CC=CC=C4CCC(=O)[O-])CC2(C1)CCCC3	REAL300005388008	0	54	0.0	-66.65	391.07	10.86	-55.79
C[NH+]1CC23CN(C(=O)COCC4=C(C(=O)[O-])N=CO4)CC2(C1)CCCC3	REAL300005388009	0	51	0.0	-76.87	388.45	5.60	-71.27
C[NH+]1CC23CN(C(=O)C=CC4=CC=C(C(=O)[O-])O4)CC2(C1)CCCC3	REAL300005388010	0	49	0.0	-62.71	372.46	10.35	-52.36
C[NH+]1CC23CN(C(=O)[C@H]4CC[C@@H](C(=O)[O-])C4)CC2(C1)CCCC3	REAL300005388011	0	51	0.0	-91.84	359.96	9.17	-82.67
CC1=CC=C(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)C=C1C(=O)[O-]	REAL300005388012	0	51	0.0	-74.36	368.97	9.91	-64.45
C[NH+]1CC23CN(C(=O)C4=CN=CC(C(=O)[O-])=C4)CC2(C1)CCCC3	REAL300005388013	0	47	0.0	-69.98	347.03	7.50	-62.48
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388014	0	50	0.0	-66.27	368.43	8.31	-57.96
C[NH+]1CC23CN(C(=O)CN4C=CC(C(=O)[O-])=N4)CC2(C1)CCCC3	REAL300005388015	0	48	0.0	-98.48	361.74	7.94	-90.54
C[NH+]1CC23CN(C(=O)CCCN4C=CC(C(=O)[O-])=N4)CC2(C1)CCCC3	REAL300005388016	0	54	0.0	-97.29	405.36	9.36	-87.93
C[NH+]1CC23CN(C(=O)[C@H]4CC[C@H]4C(=O)[O-])CC2(C1)CCCC3	REAL300005388017	0	48	0.0	-87.52	337.44	9.10	-78.42
C[NH+]1CC23CN(C(=O)[C@H]4CC[C@@H](CCC(=O)[O-])O4)CC2(C1)CCCC3	REAL300005388018	0	55	0.0	-95.33	395.17	9.58	-85.75
C[NH+]1CC23CN(C(=O)CC[C@@H]4C[C@H](C(=O)[O-])CO4)CC2(C1)CCCC3	REAL300005388019	0	55	0.0	-74.59	395.36	8.66	-65.93
C[NH+]1CC23CN(C(=O)[C@H]4CC[C@H]4C(=O)[O-])CC2(C1)CCCC3	REAL300005388020	0	48	0.0	-87.52	337.44	9.10	-78.42
CC1=C(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)OC(C(=O)[O-])=C1	REAL300005388021	0	48	0.0	-72.59	355.49	8.89	-63.70
C[NH+]1CC23CN(C(=O)[C@@H]4C5C=CC(CC5)[C@@H]4C(=O)[O-])CC2(C1)CCCC3	REAL300005388022	0	56	0.0	-82.18	376.31	11.00	-71.18
CC(C)C(C(=O)[O-])C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388023	0	50	0.0	-73.92	357.23	8.63	-65.29
C[NH+]1CC23CN(C(=O)[C@H]4CCCC[C@H]4C(=O)[O-])CC2(C1)CCCC3	REAL300005388024	0	54	0.0	-47.66	364.39	11.14	-36.52
C[NH+]1CC23CN(C(=O)CN4CCCC(C(=O)[O-])C4)CC2(C1)CCCC3	REAL300005388025	1	56	0.0	-68.68	394.85	7.82	-60.86
C[NH+]1CC23CN(C(=O)C4(C(=O)[O-])CC4C4=CC=CC=C4)CC2(C1)CCCC3	REAL300005388026	0	55	0.0	-64.43	393.40	11.37	-53.06
C[NH+]1CC23CN(C(=O)C4=C(CC(=O)[O-])C5=CC=CC=C5N4)CC2(C1)CCCC3	REAL300005388027	0	55	0.0	-98.58	402.27	10.64	-87.94
C[NH+]1CC23CN(C(=O)CN4C=C(C(=O)[O-])C5=CC=CC=C54)CC2(C1)CCCC3	REAL300005388028	0	55	0.0	-99.07	413.69	11.91	-87.16
C[NH+]1CC23CN(C(=O)C4CC5(CC5C(=O)[O-])C4)CC2(C1)CCCC3	REAL300005388029	0	52	0.0	-84.11	378.09	10.13	-73.98
C[NH+]1CC23CN(C(=O)[C@H]4C[C@@H](C(=O)[O-])C4)CC2(C1)CCCC3	REAL300005388030	0	48	0.0	-69.84	347.05	8.75	-61.09
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388031	0	54	0.0	-79.69	383.12	11.37	-68.32
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388032	0	51	0.0	-70.63	373.23	10.12	-60.51
C[NH+]1CC23CN(C(=O)C4CC(C)(C(=O)[O-])C4)CC2(C1)CCCC3	REAL300005388033	0	51	0.0	-87.45	365.44	9.25	-78.20
C[NH+]1CC23CN(C(=O)C4=C(C(=O)[O-])SC=C4)CC2(C1)CCCC3	REAL300005388034	0	45	0.0	-68.77	342.42	9.44	-59.33
C[NH+]1CC23CN(C(=O)C4=CC(C(=O)[O-])=NN4)CC2(C1)CCCC3	REAL300005388035	0	45	0.0	-91.73	333.30	6.17	-85.56
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388036	0	50	0.0	-64.95	361.97	8.08	-56.87
CCCC(C(=O)[O-])C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388037	0	50	0.0	-65.70	357.19	8.88	-56.82
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388038	0	51	0.0	-84.11	370.51	10.06	-74.05
C[NH+]1CC23CN(C(=O)C4=CC=C(C(=O)[O-])C=C4Cl)CC2(C1)CCCC3	REAL300005388039	0	48	0.0	-84.15	366.75	9.92	-74.23
C[NH+]1CC23CN(C(=O)C4CC5(CC(C(=O)[O-])C5)C4)CC2(C1)CCCC3	REAL300005388040	0	55	0.0	-75.90	395.82	10.66	-65.24
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)=C1	REAL300005388041	0	51	0.0	-55.27	379.99	7.83	-47.44
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388042	0	49	0.0	-70.60	353.27	8.70	-61.90
C[NH+]1CC23CN(C(=O)C4(C(=O)[O-])CC=CC4)CC2(C1)CCCC3	REAL300005388043	0	49	0.0	-69.31	338.29	8.66	-60.65
C[NH+]1CC23CN(C(=O)C4=CC=C(CCC(=O)[O-])C=C4)CC2(C1)CCCC3	REAL300005388044	0	54	0.0	-70.93	395.71	10.96	-59.97
CC1=NNC(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)=C1C(=O)[O-]	REAL300005388045	0	48	0.0	-73.98	346.52	7.67	-66.31
CC1=C(C(=O)[O-])C(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)=NN1	REAL300005388045	1	48	0.0	-93.59	349.19	7.98	-85.61
C[NH+]1CC23CN(C(=O)CC4(CC(=O)[O-])CC4)CC2(C1)CCCC3	REAL300005388046	0	51	0.0	-57.97	369.52	9.53	-48.44
C[NH+]1CC23CN(C(=O)C4CC5(C4)C(C(=O)[O-])C5(F)F)CC2(C1)CCCC3	REAL300005388047	0	52	0.0	-81.61	386.05	10.15	-71.46
C[NH+]1CC23CN(C(=O)C4=CSC(C(=O)[O-])=N4)CC2(C1)CCCC3	REAL300005388048	0	44	0.0	-66.88	340.73	7.39	-59.49
C[NH+]1CC23CN(C(=O)[C@@]4(C)C[C@H]4C(=O)[O-])CC2(C1)CCCC3	REAL300005388049	0	48	0.0	-47.98	341.07	8.41	-39.57
CC1=C(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)C=C(C(=O)[O-])S1	REAL300005388050	0	48	0.0	-71.75	363.20	9.29	-62.46
C[NH+]1CC23CN(C(=O)C4=CC5=C(SC(C(=O)[O-])=C5)S4)CC2(C1)CCCC3	REAL300005388051	0	48	0.0	-75.88	380.23	9.94	-65.94
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)=C1	REAL300005388052	0	52	0.0	-67.58	393.19	9.07	-58.51
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388053	0	51	0.0	-58.24	377.20	10.00	-48.24
C[NH+]1CC23CN(C(=O)C4=CC5=C(C(=O)[O-])C=CC=C5S4)CC2(C1)CCCC3	REAL300005388054	0	51	0.0	-83.86	385.56	10.64	-73.22
C[NH+]1CC23CN(C(=O)CCC4=CC=CN=C4C(=O)[O-])CC2(C1)CCCC3	REAL300005388055	0	53	0.0	-63.66	389.30	9.28	-54.38
C[NH+]1CC23CN(C(=O)C45CC(C(=O)[O-])(C4)CO5)CC2(C1)CCCC3	REAL300005388056	0	50	0.0	-78.52	360.97	7.64	-70.88
C[NH+]1CC23CN(C(=O)/C=C/C4=CC=C(C(=O)[O-])C=C4)CC2(C1)CCCC3	REAL300005388057	0	52	0.0	-87.01	387.81	10.98	-76.03
CC1CC1(C(=O)[O-])C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388058	0	48	0.0	-49.30	343.44	8.56	-40.74
C[NH+]1CC23CN(C(=O)C4(C(=O)[O-])CC5(CCC5)C4)CC2(C1)CCCC3	REAL300005388059	0	55	0.0	-70.18	382.94	10.11	-60.07
CN1N=CC(C(=O)[O-])=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388060	0	48	0.0	-56.26	361.05	7.12	-49.14
C[NH+]1CC23CN(C(=O)C4=CC5=C(N4)C(C(=O)[O-])=CS5)CC2(C1)CCCC3	REAL300005388061	0	49	0.0	-63.88	376.25	8.94	-54.94
C[NH+]1CC23CN(C(=O)C4=CC5=C(C=C(C(=O)[O-])S5)N4)CC2(C1)CCCC3	REAL300005388062	0	49	0.0	-85.66	375.32	9.07	-76.59
C[NH+]1CC23CN(C(=O)C4=CC5=C(N4)C(C(=O)[O-])=CO5)CC2(C1)CCCC3	REAL300005388063	0	49	0.0	-74.51	366.48	8.06	-66.45
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388064	0	51	0.0	-94.88	365.04	9.94	-84.94
C[NH+]1CC23CN(C(=O)C=CC4=CC=C(C(=O)[O-])N=C4)CC2(C1)CCCC3	REAL300005388065	0	51	0.0	-77.75	384.71	9.19	-68.56
C=C1CCC1(C(=O)[O-])C(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388066	0	49	0.0	-51.23	351.82	8.82	-42.41
C[NH+]1CC23CN(C(=O)C4=CC(C(=O)[O-])=CS4)CC2(C1)CCCC3	REAL300005388067	0	45	0.0	-78.93	343.62	8.39	-70.54
C[NH+]1CC23CN(C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C(=O)[O-])CC2(C1)CCCC3	REAL300005388068	0	53	0.0	-83.32	374.63	7.92	-75.40
C[NH+]1CC23CN(C(=O)C4=CC=CC5=C(C(=O)[O-])C=CC=C45)CC2(C1)CCCC3	REAL300005388069	0	54	0.0	-73.57	391.63	11.51	-62.06
CC(C)[C@]1(C(=O)N2CC34C[NH+](C)CC3(C2)CCCC4)C[C@H]1C(=O)[O-]	REAL300005388070	0	54	0.0	-66.86	371.76	9.61	-57.25
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300005388071	0	54	0.0	-88.67	396.14	10.90	-77.77
C[NH+]1CC23CN(C(=O)CC4=CC(C(=O)[O-])=CS4)CC2(C1)CCCC3	REAL300005388072	0	48	0.0	-77.94	371.88	9.61	-68.33
C[NH+]1CC23CN(C(=O)CC4=CC=C(C(=O)[O-])C(F)=C4)CC2(C1)CCCC3	REAL300005388073	0	51	0.0	-98.24	383.75	10.50	-87.74
C[NH+]1CC23CN(C(=O)[C@H]4[C@@H](C(=O)[O-])C4(C)C)CC2(C1)CCCC3	REAL300005388074	0	51	0.0	-63.57	359.84	9.35	-54.22
C[NH+]1CC23CN(C(=O)C4=C5CCCCC5=C(C(=O)[O-])S4)CC2(C1)CCCC3	REAL300005388075	0	55	0.0	-66.92	399.32	10.90	-56.02
C[NH+]1CC23CN(C(=O)C45CCC(C(=O)[O-])(CC4)CC5)CC2(C1)CCCC3	REAL300005388076	0	58	0.0	-84.79	385.28	9.97	-74.82
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)N=C1	REAL300005388958	0	55	0.0	-79.16	425.09	10.68	-68.48
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CC[NH+](C3CC3)CC2)N=C1	REAL300005390123	0	49	0.0	-71.77	377.84	8.51	-63.26
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3C3=NC=C(C(=O)[O-])C=N3)CN21	REAL300005390147	1	47	0.0	-64.39	376.35	8.31	-56.08
CC(C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)N1CC[NH+](C)CC1	REAL300005390213	1	50	0.0	-67.46	375.57	5.27	-62.19
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390245	0	45	0.0	-65.27	348.84	7.29	-57.98
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390245	1	45	0.0	-66.91	336.88	6.83	-60.08
C[NH+]1CCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005390312	0	45	0.0	-76.27	352.79	7.27	-69.00
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)N=C1	REAL300005390339	0	40	0.0	-70.05	343.61	9.15	-60.90
C[NH+](C)CC1(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CCCCC1	REAL300005390369	0	54	0.0	-66.51	368.97	9.48	-57.03
C[N@H+](CCC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)C1CCCCC1	REAL300005390373	0	54	0.0	-71.11	406.70	9.35	-61.76
C[N@@H+](CCC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)C1CCCCC1	REAL300005390373	1	54	0.0	-70.38	406.70	9.34	-61.04
C[N@@H+]1CCCC1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390386	0	42	0.0	-64.69	331.95	6.62	-58.07
C[N@H+]1CCCC1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390386	1	42	0.0	-63.87	331.73	6.52	-57.35
C[NH+]1CCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005390433	0	45	0.0	-76.27	352.79	7.27	-69.00
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)N=C1	REAL300005390436	0	48	0.0	-77.28	394.22	7.96	-69.32
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CCC([NH+]3CCOCC3)CC2)N=C1	REAL300005390447	0	56	0.0	-78.34	415.69	7.71	-70.63
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390479	1	46	0.0	-66.56	379.27	8.66	-57.90
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCCC[NH+]2CCOCC2)N=C1	REAL300005390480	1	52	0.0	-74.93	406.55	7.35	-67.58
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C=C1)C(C)C	REAL300005390482	0	57	0.0	-79.87	430.56	10.42	-69.45
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C=C1)C(C)C	REAL300005390482	1	57	0.0	-57.25	414.51	9.85	-47.40
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390485	0	42	0.0	-62.24	326.92	6.23	-56.01
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390485	1	42	0.0	-64.46	331.77	6.59	-57.87
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)N=C1	REAL300005390522	0	52	0.0	-69.92	411.47	10.07	-59.85
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)N=C1	REAL300005390522	1	52	0.0	-69.65	411.01	10.05	-59.60
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CC[NH+](C3CCSC3)CC2)N=C1	REAL300005390523	0	53	0.0	-80.13	413.47	9.47	-70.66
O=C([O-])C1=CN=C(C2CCCN2C(=O)CC2([NH+]3CCOCC3)CCCC2)N=C1	REAL300005390547	0	56	0.0	-71.20	405.07	7.62	-63.58
CCC(C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)[NH+](CC)CC	REAL300005390551	0	50	0.0	-59.24	370.65	7.87	-51.37
CC(C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)[N@H+](C)CC1=CC=CC=C1	REAL300005390553	0	51	0.0	-69.22	401.79	9.67	-59.55
CC(C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300005390553	1	51	0.0	-65.06	401.50	9.63	-55.43
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C=N1	REAL300005390573	0	47	0.0	-81.82	378.11	6.95	-74.87
CCC[NH+](CCC)CCCC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390577	0	56	0.0	-70.94	426.37	9.67	-61.27
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390586	1	46	0.0	-61.94	374.03	8.45	-53.49
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)N=C1	REAL300005390601	0	52	0.0	-79.23	407.95	9.98	-69.25
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)N=C1	REAL300005390606	0	55	0.0	-75.00	424.08	10.65	-64.35
C[NH+](C)CC1(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005390609	0	45	0.0	-71.57	356.53	7.48	-64.09
C[NH+](C)CCCCC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390617	0	47	0.0	-73.27	373.65	7.88	-65.39
CC1=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C=NN1C1=CC=[NH+]C=C1	REAL300005390638	1	46	0.0	-80.49	379.82	7.20	-73.29
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)N=C1	REAL300005390641	0	55	0.0	-79.73	424.69	10.69	-69.04
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=NOC(C[NH+]3CCCC3)=C2)N=C1	REAL300005390652	1	48	0.0	-75.33	389.85	8.16	-67.17
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C=C1	REAL300005390653	0	51	0.0	-83.24	405.04	9.65	-73.59
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390658	1	44	0.0	-62.25	357.63	6.39	-55.86
CCC[N@H+](C)CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390666	0	44	0.0	-65.87	347.51	7.13	-58.74
CCC[N@@H+](C)CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390666	1	44	0.0	-65.89	347.52	7.13	-58.76
C[N@H+](CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)C1CCC1	REAL300005390680	0	45	0.0	-63.00	354.51	7.70	-55.30
C[N@@H+](CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)C1CCC1	REAL300005390680	1	45	0.0	-64.11	354.42	7.70	-56.41
CC(C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)[NH+]1CCSCC1	REAL300005390701	1	46	0.0	-67.94	359.33	7.36	-60.58
C[N@H+](CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)CC(C)(C)C	REAL300005390707	0	50	0.0	-65.73	376.13	8.13	-57.60
C[N@@H+](CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)CC(C)(C)C	REAL300005390707	1	50	0.0	-65.99	377.93	8.22	-57.77
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390709	0	51	0.0	-68.76	407.43	10.16	-58.60
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390709	1	51	0.0	-68.77	407.42	10.16	-58.61
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390710	0	55	0.0	-70.11	436.43	6.38	-63.73
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390710	1	55	0.0	-70.26	436.46	6.37	-63.89
CC[C@@H](C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)[NH+](C)C	REAL300005390713	0	44	0.0	-64.02	334.64	6.59	-57.43
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005390715	0	49	0.0	-65.76	368.57	5.89	-59.87
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005390715	1	49	0.0	-69.97	366.02	6.01	-63.96
CCCCCC[N@H+](C)CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390727	0	53	0.0	-67.10	412.01	9.48	-57.62
CCCCCC[N@@H+](C)CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390727	1	53	0.0	-67.10	412.01	9.48	-57.62
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC3=C[NH+]=CN3C=C2)N=C1	REAL300005390741	1	40	0.0	-75.17	343.69	9.16	-66.01
C[N@H+](CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)C1CCSC1	REAL300005390751	0	46	0.0	-68.74	367.78	7.96	-60.78
C[N@@H+](CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)C1CCSC1	REAL300005390751	1	46	0.0	-70.28	367.57	7.97	-62.31
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005390766	0	56	0.0	-70.46	423.64	6.92	-63.54
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005390767	0	59	0.0	-67.70	440.04	7.35	-60.35
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005390767	1	59	0.0	-71.06	441.65	7.52	-63.54
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CCCC3CCC[N@@H+]32)N=C1	REAL300005390768	0	49	0.0	-59.22	373.54	8.39	-50.83
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CCCC3CCC[N@H+]32)N=C1	REAL300005390768	1	49	0.0	-60.18	368.57	8.27	-51.91
C[NH+](C)CCN1C=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C=N1	REAL300005390770	0	48	0.0	-77.43	387.68	6.87	-70.56
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)N=C1	REAL300005390775	0	54	0.0	-75.51	413.92	9.01	-66.50
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)N=C1	REAL300005390775	1	54	0.0	-71.97	413.76	9.05	-62.92
CC(C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005390780	1	52	0.0	-67.67	402.31	10.05	-57.62
CC(C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005390780	1	52	0.0	-66.97	399.12	9.94	-57.03
O=C([O-])C1=CN=C(C2CCCN2C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)N=C1	REAL300005390795	0	55	0.0	-74.46	430.88	10.91	-63.55
O=C([O-])C1=CN=C(C2CCCN2C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)N=C1	REAL300005390795	1	55	0.0	-74.15	430.69	10.92	-63.23
C[NH+](C)CCN1C=CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)=N1	REAL300005390808	0	48	0.0	-88.94	389.99	7.47	-81.47
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390809	0	48	0.0	-63.64	382.33	6.89	-56.75
C[C@@H]1[C@H](C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC[N@@H+]1C	REAL300005390811	0	45	0.0	-72.92	341.43	6.78	-66.14
C[C@@H]1[C@H](C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC[N@H+]1C	REAL300005390811	1	45	0.0	-68.06	346.16	7.49	-60.57
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390812	1	49	0.0	-63.99	394.25	8.96	-55.03
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC[N@@H+]1C	REAL300005390815	0	48	0.0	-71.63	366.96	7.38	-64.25
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC[N@H+]1C	REAL300005390815	1	48	0.0	-70.61	364.98	7.74	-62.87
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)=NN1	REAL300005390817	1	49	0.0	-78.42	391.12	7.01	-71.41
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)=NN1	REAL300005390817	1	49	0.0	-79.54	391.55	7.01	-72.53
CC1C[N@H+](C)CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)O1	REAL300005390822	1	46	0.0	-81.88	355.08	6.27	-75.61
CC1C[N@@H+](C)CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)O1	REAL300005390822	1	46	0.0	-63.95	355.30	6.53	-57.42
O=C([O-])C1=CN=C(C2CCCN2C(=O)C[NH+]2CCCC2)N=C1	REAL300005390829	0	42	0.0	-65.11	333.78	6.86	-58.25
CC1=[NH+]C=CN1CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390831	1	40	0.0	-61.60	337.72	7.33	-54.27
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390833	1	49	0.0	-62.07	380.91	6.28	-55.79
CC1CC[NH+](CC(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005390851	0	48	0.0	-66.35	370.86	8.19	-58.16
CC[N@@H+]1CCOC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005390862	1	46	0.0	-63.98	351.89	6.45	-57.53
CC[N@H+]1CCOC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005390862	1	46	0.0	-75.39	351.95	6.46	-68.93
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CC[N@@H+](C3CCCCC3)C2)N=C1	REAL300005390892	0	55	0.0	-69.46	409.43	9.50	-59.96
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CC[N@H+](C3CCCCC3)C2)N=C1	REAL300005390892	1	55	0.0	-71.39	411.35	9.47	-61.92
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390898	0	48	0.0	-68.00	370.03	7.76	-60.24
C[N@H+]1CCCC1CCC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390898	1	48	0.0	-67.59	370.23	7.79	-59.80
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CCC3CCCC[N@@H+]32)N=C1	REAL300005390909	0	49	0.0	-62.34	368.31	8.17	-54.17
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CCC3CCCC[N@H+]32)N=C1	REAL300005390909	1	49	0.0	-65.54	367.60	8.16	-57.38
CC[NH+](CC)CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005390929	0	44	0.0	-63.92	344.70	7.08	-56.84
CC(C)[NH+]1CCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005390931	0	51	0.0	-72.76	383.46	8.22	-64.54
O=C([O-])C1=CN=C(C2CCCN2C(=O)C23CC[NH+](CC2)C3)N=C1	REAL300005390998	0	43	0.0	-73.37	332.99	5.98	-67.39
CCC(C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)[NH+](C)C	REAL300005391001	0	44	0.0	-63.98	338.08	6.76	-57.22
O=C([O-])C1=CN=C(C2CCCN2C(=O)C23CC[N@H+](C2)CCC3)N=C1	REAL300005391008	0	46	0.0	-72.00	341.56	6.60	-65.40
O=C([O-])C1=CN=C(C2CCCN2C(=O)C23CC[N@@H+](C2)CCC3)N=C1	REAL300005391008	1	46	0.0	-78.79	339.90	6.52	-72.27
CC1CCC(C)[NH+]1CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391045	0	48	0.0	-62.76	365.26	7.65	-55.11
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)=C1	REAL300005391046	0	48	0.0	-73.85	382.57	8.80	-65.05
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)N=C1	REAL300005391047	0	55	0.0	-62.39	419.99	11.02	-51.37
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)N=C1	REAL300005391047	1	55	0.0	-65.56	418.87	10.80	-54.76
C#CC[NH+]1CCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005391099	0	47	0.0	-79.05	377.97	8.47	-70.58
CC[NH+]1CCN(CCC(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005391101	0	53	0.0	-72.02	406.89	6.41	-65.61
CCN1CC[NH+](CCC(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005391101	1	53	0.0	-69.59	406.40	6.37	-63.22
CC(C)[N@H+](C)CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391102	0	44	0.0	-63.83	342.71	6.92	-56.91
CC(C)[N@@H+](C)CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391102	1	44	0.0	-63.83	342.71	6.92	-56.91
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391107	1	49	0.0	-63.70	393.76	8.90	-54.80
CC[N@H+](CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)C1CC1	REAL300005391114	0	45	0.0	-62.07	357.79	7.76	-54.31
CC[N@@H+](CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)C1CC1	REAL300005391114	1	45	0.0	-62.13	352.73	7.47	-54.66
CC(C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)[NH+]1CCCCCC1	REAL300005391139	0	51	0.0	-62.69	375.85	8.14	-54.55
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391143	0	42	0.0	-64.40	331.73	6.58	-57.82
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391143	1	42	0.0	-62.35	326.89	6.24	-56.11
CC(C)(C)[NH2+]CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391212	0	44	0.0	-64.11	347.25	5.44	-58.67
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)O1	REAL300005391214	0	51	0.0	-78.26	401.16	8.70	-69.56
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCCC[NH+]2CCCC2)N=C1	REAL300005391215	0	51	0.0	-71.87	398.01	8.95	-62.92
CC1=CC=C(N2CCC(C(=O)N3CCCC3C3=NC=C(C(=O)[O-])C=N3)CC2)[NH+]=C1	REAL300005391217	1	54	0.0	-72.33	417.97	8.52	-63.81
C[N@H+](CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)CC1=CC=CC=C1	REAL300005391218	1	48	0.0	-70.19	384.94	9.31	-60.88
C[N@@H+](CC(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1)CC1=CC=CC=C1	REAL300005391218	1	48	0.0	-70.38	384.96	9.31	-61.07
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)N=C1	REAL300005391243	1	43	0.0	-77.10	362.66	6.83	-70.27
C[NH+](C)CC1=CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)=NO1	REAL300005391265	1	44	0.0	-76.48	364.47	7.01	-69.47
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391269	0	55	0.0	-74.40	431.30	10.65	-63.75
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391269	1	55	0.0	-82.21	428.28	10.49	-71.72
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391282	0	48	0.0	-62.70	363.04	7.68	-55.02
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1C1=NC=C(C(=O)[O-])C=N1	REAL300005391282	1	48	0.0	-63.28	364.39	7.67	-55.61
C[NH+]1CCC(OCC(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005391299	0	49	0.0	-77.94	388.25	7.87	-70.07
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)N=C1	REAL300005391303	0	52	0.0	-80.60	410.37	9.38	-71.22
CCC[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005391449	0	51	0.0	-69.35	387.64	8.47	-60.88
CCC[N@H+]1CCCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005391449	1	51	0.0	-68.30	392.05	8.65	-59.65
O=C([O-])C1=CN=C(C2CCCN2C(=O)C[NH+]2CCC(CO)CC2)N=C1	REAL300005391474	1	49	0.0	-66.90	381.70	4.88	-62.02
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005391650	0	51	0.0	-65.32	387.48	8.45	-56.87
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005391650	1	51	0.0	-58.34	376.67	8.41	-49.93
C[N@@H+]1CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C(C(F)(F)F)C1	REAL300005391651	0	45	0.0	-79.82	362.71	7.03	-72.79
C[N@H+]1CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C(C(F)(F)F)C1	REAL300005391651	1	45	0.0	-77.28	360.00	7.88	-69.40
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)N1	REAL300005391675	1	46	0.0	-63.94	378.52	7.03	-56.91
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)=C1	REAL300005392064	0	51	0.0	-75.70	405.01	9.63	-66.07
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C=C1	REAL300005392071	0	52	0.0	-81.39	412.38	8.60	-72.79
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005392186	0	45	0.0	-67.64	357.39	7.44	-60.20
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300005392190	0	51	0.0	-54.31	375.84	8.24	-46.07
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3C3=NC=C(C(=O)[O-])C=N3)=CN21	REAL300005392194	0	43	0.0	-50.51	348.48	8.47	-42.04
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005392243	0	54	0.0	-59.23	400.00	9.52	-49.71
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005392243	1	54	0.0	-60.39	398.87	9.34	-51.05
CC[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005392244	0	48	0.0	-65.28	359.88	7.73	-57.55
CC[N@H+]1CCCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005392244	1	48	0.0	-58.20	361.11	8.11	-50.09
C[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005392249	0	45	0.0	-69.62	352.89	7.24	-62.38
C[N@H+]1CCCC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C1	REAL300005392249	1	45	0.0	-69.71	352.90	7.23	-62.48
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)O1	REAL300005392251	1	45	0.0	-80.67	369.87	7.61	-73.06
O=C([O-])C1=CN=C(C2CCCN2C(=O)C23CC(C2)C[N@@H+]3C2CC2)N=C1	REAL300005392259	0	47	0.0	-70.97	368.97	8.31	-62.66
O=C([O-])C1=CN=C(C2CCCN2C(=O)C23CC(C2)C[N@H+]3C2CC2)N=C1	REAL300005392259	1	47	0.0	-70.13	365.66	8.41	-61.72
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC(S(N)(=O)=O)=CC=C21	REAL300005392326	0	49	0.0	-49.71	379.70	4.70	-45.01
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC(S(N)(=O)=O)=CC=C21	REAL300005392326	1	49	0.0	-51.85	385.82	4.73	-47.12
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@@H]2CCCN2C2=CC=CC=C2)C1	REAL300005392438	0	52	0.0	-44.44	380.60	8.16	-36.28
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@@H]2CCCN2C2=CC=CC=C2)C1	REAL300005392438	1	52	0.0	-44.07	386.94	8.12	-35.95
COC1=CC=CC(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005392555	0	50	0.0	-49.53	371.86	7.99	-41.54
COC1=CC=CC(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005392555	1	50	0.0	-50.38	372.49	8.00	-42.38
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2CCC(F)(F)F)C1	REAL300005392659	0	49	0.0	-48.72	367.06	9.89	-38.83
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2CCC(F)(F)F)C1	REAL300005392659	1	49	0.0	-48.25	366.34	9.87	-38.38
CCN1C=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N=N1	REAL300005392742	0	45	0.0	-59.75	350.19	5.49	-54.26
CCN1C=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N=N1	REAL300005392742	1	45	0.0	-57.39	356.41	5.51	-51.88
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCC3(CC3)C2)C1	REAL300005392817	0	50	0.0	-47.91	370.30	9.13	-38.78
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCC3(CC3)C2)C1	REAL300005392817	1	50	0.0	-47.21	369.65	9.11	-38.10
COCCC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300005392892	0	48	0.0	-49.66	360.59	5.70	-43.96
COCCC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300005392892	1	48	0.0	-46.36	353.96	5.29	-41.07
NS(=O)(=O)C[C@H]1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005393040	0	45	0.0	-57.61	352.94	2.52	-55.09
NS(=O)(=O)C[C@H]1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005393040	1	45	0.0	-49.67	337.86	3.50	-46.17
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2CCO)C1	REAL300005393156	0	50	0.0	-45.93	356.84	5.19	-40.74
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2CCO)C1	REAL300005393156	1	50	0.0	-48.74	363.76	5.65	-43.09
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2CC2=CC(F)=CC=C2F)C1	REAL300005393252	0	53	0.0	-48.21	400.04	11.83	-36.38
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2CC2=CC(F)=CC=C2F)C1	REAL300005393252	1	53	0.0	-46.59	388.66	11.66	-34.93
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC23CCCOC3)C1	REAL300005393347	0	51	0.0	-46.09	350.16	7.62	-38.47
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC23CCCOC3)C1	REAL300005393347	1	51	0.0	-43.68	341.60	7.65	-36.03
O=C([O-])C1CCC[N@H+](CC(=O)NCC(CC2=CC=CC=C2)C2CC2)C1	REAL300005393507	0	53	0.0	-48.76	397.45	11.55	-37.21
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(CC2=CC=CC=C2)C2CC2)C1	REAL300005393507	1	53	0.0	-47.31	394.04	10.68	-36.63
CN(C)C1=NC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=N1	REAL300005393636	0	50	0.0	-53.90	380.03	10.04	-43.86
CN(C)C1=NC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=N1	REAL300005393636	1	50	0.0	-54.95	378.98	10.19	-44.76
CC1=CC(C)=NN1C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005393765	0	53	0.0	-53.01	397.81	9.45	-43.56
CC1=CC(C)=NN1C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005393765	1	53	0.0	-49.66	390.36	8.98	-40.68
CCN1N=CC=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005393860	0	46	0.0	-50.80	343.33	6.53	-44.27
CCN1N=CC=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005393860	1	46	0.0	-50.32	343.41	6.50	-43.82
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC2=C(CC(C)CC2)S1	REAL300005393971	0	52	0.0	-45.13	399.90	8.64	-36.49
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC2=C(CC(C)CC2)S1	REAL300005393971	1	52	0.0	-45.20	399.97	8.64	-36.56
CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005394099	0	49	0.0	-46.33	385.63	10.97	-35.36
CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005394099	1	49	0.0	-49.27	386.49	11.42	-37.85
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC(O)=CC=C3C2)C1	REAL300005394201	0	45	0.0	-50.71	344.20	6.78	-43.93
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC(O)=CC=C3C2)C1	REAL300005394201	1	45	0.0	-51.69	344.10	6.79	-44.90
CCN1C=C(C(O)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300005394310	0	47	0.0	-52.13	365.39	3.62	-48.51
CCN1C=C(C(O)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300005394310	1	47	0.0	-53.70	371.57	3.64	-50.06
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CNC2=CC=CC=C12	REAL300005395246	0	54	0.0	-83.27	425.37	11.33	-71.94
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CNC2=CC=CC=C12	REAL300005396403	0	48	0.0	-76.00	373.88	8.94	-67.06
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CNC4=CC=CC=C34)CN21	REAL300005396428	1	46	0.0	-69.36	371.90	8.83	-60.53
CC(C(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)N1CC[NH+](C)CC1	REAL300005396493	1	49	0.0	-78.61	377.77	5.88	-72.73
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300005396525	0	44	0.0	-66.21	346.68	7.63	-58.58
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300005396525	1	44	0.0	-66.99	334.20	7.42	-59.57
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300005396593	0	44	0.0	-83.51	349.11	7.70	-75.81
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CNC2=CC=CC=C21	REAL300005396618	0	39	0.0	-77.12	334.28	9.58	-67.54
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CCCCC1	REAL300005396647	0	53	0.0	-79.69	388.97	9.74	-69.95
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1CCCCC1	REAL300005396651	0	53	0.0	-73.34	402.68	9.68	-63.66
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1CCCCC1	REAL300005396651	1	53	0.0	-75.02	402.91	9.64	-65.38
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300005396663	0	41	0.0	-64.81	330.16	7.03	-57.78
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300005396663	1	41	0.0	-63.71	330.41	7.13	-56.58
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300005396708	0	44	0.0	-83.51	349.11	7.70	-75.81
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CNC2=CC=CC=C21	REAL300005396711	0	47	0.0	-87.13	393.36	8.70	-78.43
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CNC2=CC=CC=C12	REAL300005396721	0	55	0.0	-85.96	416.01	8.37	-77.59
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300005396751	1	45	0.0	-73.08	375.07	8.95	-64.13
O=C([O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1=CNC2=CC=CC=C12	REAL300005396752	1	51	0.0	-82.15	402.53	7.69	-74.46
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1)C(C)C	REAL300005396754	0	56	0.0	-87.59	431.39	11.11	-76.48
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1)C(C)C	REAL300005396754	1	56	0.0	-86.55	421.65	10.73	-75.82
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300005396757	0	41	0.0	-63.97	324.79	6.58	-57.39
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300005396757	1	41	0.0	-64.05	330.82	7.14	-56.91
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CNC2=CC=CC=C12	REAL300005396794	0	51	0.0	-73.55	408.92	10.55	-63.00
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CNC2=CC=CC=C12	REAL300005396794	1	51	0.0	-73.34	409.85	10.49	-62.85
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CNC2=CC=CC=C12	REAL300005396795	0	52	0.0	-82.55	403.63	9.66	-72.89
O=C([O-])C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CNC2=CC=CC=C12	REAL300005396819	0	55	0.0	-75.78	401.24	7.87	-67.91
CCC(C(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[NH+](CC)CC	REAL300005396823	0	49	0.0	-59.56	370.53	8.46	-51.10
CC(C(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[N@H+](C)CC1=CC=CC=C1	REAL300005396825	0	50	0.0	-66.57	399.42	10.02	-56.55
CC(C(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[N@@H+](C)CC1=CC=CC=C1	REAL300005396825	1	50	0.0	-69.00	399.59	10.03	-58.97
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C=N1	REAL300005396845	0	46	0.0	-87.98	378.43	8.05	-79.93
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300005396849	0	55	0.0	-76.17	426.82	10.30	-65.87
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300005396851	1	42	0.0	-81.36	341.90	6.53	-74.83
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300005396851	1	42	0.0	-82.87	341.87	6.48	-76.39
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300005396858	1	45	0.0	-65.30	370.36	8.75	-56.55
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CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300005405012	0	51	0.0	-66.69	387.01	8.76	-57.93
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300005405012	1	51	0.0	-69.64	376.98	9.71	-59.93
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300005405860	1	51	0.0	-75.71	387.39	9.66	-66.05
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CC1(C(=O)[O-])CC(NC(=O)C2CC[NH+](C3CC3)CC2)CCO1	REAL300005405936	0	48	0.0	-70.92	351.96	6.96	-63.96
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CC1(C(=O)[O-])CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCO1	REAL300005405970	0	54	0.0	-66.70	406.89	9.29	-57.41
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C[NH+](C)CCOC1=CC=C(CCC(=O)NC2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300005406130	0	57	0.0	-83.44	427.21	9.78	-73.66
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CC1(C(=O)NC2CCOC(C)(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005406144	0	57	0.0	-76.83	399.78	10.43	-66.40
CC1(C(=O)[O-])CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCO1	REAL300005406203	0	39	0.0	-76.55	303.30	8.54	-68.01
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C[N@H+](CCC(=O)NC1CCOC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300005406237	0	53	0.0	-71.55	380.99	7.69	-63.86
C[N@@H+](CCC(=O)NC1CCOC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300005406237	1	53	0.0	-71.52	380.98	7.69	-63.83
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005406259	1	54	0.0	-68.61	407.66	9.31	-59.30
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005406259	1	54	0.0	-71.23	398.16	9.14	-62.09
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005406260	1	51	0.0	-76.68	377.07	9.21	-67.47
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005406260	1	51	0.0	-68.57	386.78	8.28	-60.29
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCO1	REAL300005406316	0	47	0.0	-74.79	371.82	6.74	-68.05
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)CCO1	REAL300005406344	0	54	0.0	-62.98	379.51	7.87	-55.11
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)CCO1	REAL300005406344	1	54	0.0	-68.18	365.58	8.96	-59.22
CC1(C(=O)[O-])CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCO1	REAL300005406345	0	55	0.0	-75.31	394.32	6.38	-68.93
CC1=[NH+]C=CN1CCCC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406377	1	45	0.0	-73.95	344.11	7.93	-66.02
CC1(C(=O)[O-])CC(NC(=O)CCCC[NH+]2CCOCC2)CCO1	REAL300005406378	1	51	0.0	-74.85	380.84	5.67	-69.18
CC[N@H+](CC1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300005406380	0	56	0.0	-73.85	405.71	9.02	-64.83
CC[N@@H+](CC1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300005406380	1	56	0.0	-74.10	400.08	8.76	-65.34
CC1(C(=O)[O-])CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005406404	0	51	0.0	-72.03	387.31	8.52	-63.51
CC1(C(=O)[O-])CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005406404	1	51	0.0	-71.14	388.20	8.57	-62.57
CC1(C(=O)[O-])CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)CCO1	REAL300005406405	0	52	0.0	-77.91	386.36	7.98	-69.93
C[NH+]1CCN(C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300005406433	1	56	0.0	-71.23	415.98	7.40	-63.83
CC1(C(=O)[O-])CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CCO1	REAL300005406434	0	55	0.0	-71.18	379.31	5.93	-65.25
CCC(C(=O)NC1CCOC(C)(C(=O)[O-])C1)[NH+](CC)CC	REAL300005406438	0	49	0.0	-62.52	348.84	6.46	-56.06
CC(C(=O)NC1CCOC(C)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300005406440	0	50	0.0	-68.73	377.67	8.08	-60.65
CC(C(=O)NC1CCOC(C)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005406440	1	50	0.0	-67.64	377.45	8.10	-59.54
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300005406451	0	57	0.0	-68.55	419.98	10.37	-58.18
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300005406451	1	57	0.0	-67.49	419.96	10.36	-57.13
C[NH+](C)CC1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300005406479	0	46	0.0	-75.35	356.53	6.10	-69.25
CCC[NH+](CCC)CCCC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406490	0	55	0.0	-71.53	400.65	8.01	-63.52
CC1(C(=O)[O-])CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CCO1	REAL300005406491	1	55	0.0	-75.72	399.18	6.84	-68.88
CC[N@H+](C)C(C(=O)NC1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005406492	0	50	0.0	-65.05	375.73	8.21	-56.84
CC[N@@H+](C)C(C(=O)NC1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005406492	1	50	0.0	-64.35	365.67	9.18	-55.17
CC[NH+](CC)C(C(=O)NC1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005406497	0	53	0.0	-74.54	374.12	9.25	-65.29
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406504	1	45	0.0	-64.38	348.32	6.83	-57.55
C[NH+](C)C(C(=O)NC1CCOC(C)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005406506	1	47	0.0	-77.85	360.05	8.85	-69.00
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCO1	REAL300005406520	0	51	0.0	-76.99	385.54	8.73	-68.26
CC1(C(=O)[O-])CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCO1	REAL300005406527	0	54	0.0	-73.57	402.29	9.43	-64.14
CCN1CCC([NH+]2CCC(C(=O)NC3CCOC(C)(C(=O)[O-])C3)CC2)CC1	REAL300005406534	0	62	0.0	-72.25	432.36	6.67	-65.58
CC1C[NH+](CC2=CC=C(C(=O)NC3CCOC(C)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300005406541	1	58	0.0	-80.16	435.61	8.47	-71.69
CC1(C(=O)[O-])CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300005406552	1	55	0.0	-79.75	410.12	8.56	-71.19
CC1(C(=O)[O-])CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300005406552	1	55	0.0	-82.07	407.49	9.54	-72.53
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300005406568	0	54	0.0	-64.38	401.25	9.24	-55.14
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300005406568	1	54	0.0	-64.37	401.22	9.24	-55.13
CC1=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300005406570	1	45	0.0	-79.12	356.73	5.94	-73.18
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCO1	REAL300005406578	0	54	0.0	-77.18	402.28	9.44	-67.74
CC1(C(=O)[O-])CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCO1	REAL300005406590	1	47	0.0	-78.04	367.06	6.27	-71.77
C[NH+](C)CCC1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300005406591	0	50	0.0	-79.45	383.21	8.43	-71.02
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406602	1	43	0.0	-62.01	331.87	5.18	-56.83
CC1(C(=O)[O-])CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300005406603	1	52	0.0	-70.66	389.54	7.96	-62.70
CC1(C(=O)[O-])CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300005406603	1	52	0.0	-89.62	387.24	9.02	-80.60
CC(C(=O)NC1CCOC(C)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005406617	0	60	0.0	-67.70	440.80	10.56	-57.14
CC(C(=O)NC1CCOC(C)(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300005406658	1	45	0.0	-68.77	337.03	5.97	-62.80
C[N@H+](CC(=O)NC1CCOC(C)(C(=O)[O-])C1)CC(C)(C)C	REAL300005406664	0	49	0.0	-71.44	342.25	7.49	-63.95
C[N@@H+](CC(=O)NC1CCOC(C)(C(=O)[O-])C1)CC(C)(C)C	REAL300005406664	1	49	0.0	-68.12	352.20	6.59	-61.53
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406666	0	50	0.0	-72.76	381.71	8.53	-64.23
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406666	1	50	0.0	-75.36	372.25	9.48	-65.88
COCCOCC[N@H+](C)CCC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406667	0	54	0.0	-71.68	410.74	4.70	-66.98
COCCOCC[N@@H+](C)CCC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406667	1	54	0.0	-75.77	401.35	5.65	-70.12
C[N@@H+]1CCCC(O)(CC(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005406671	0	48	0.0	-67.99	343.16	4.24	-63.75
C[N@H+]1CCCC(O)(CC(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005406671	1	48	0.0	-75.40	330.81	5.25	-70.15
CC1(C(=O)[O-])CC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCO1	REAL300005406681	0	59	0.0	-76.61	436.87	8.23	-68.38
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CCO1	REAL300005406682	1	53	0.0	-70.31	386.80	7.34	-62.97
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CCO1	REAL300005406682	1	53	0.0	-70.32	396.20	7.49	-62.83
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CCO1	REAL300005406683	1	53	0.0	-68.41	386.75	7.32	-61.09
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CCO1	REAL300005406683	1	53	0.0	-70.55	396.10	7.48	-63.07
CCCCCC[N@H+](C)CC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406685	0	52	0.0	-70.01	386.30	7.85	-62.16
CCCCCC[N@@H+](C)CC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406685	1	52	0.0	-69.92	386.30	7.85	-62.07
CC1(C(=O)[O-])CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCO1	REAL300005406697	1	39	0.0	-74.75	313.01	7.61	-67.14
C[N@H+](CC(=O)NC1CCOC(C)(C(=O)[O-])C1)C1CCSC1	REAL300005406715	0	45	0.0	-73.70	341.92	6.34	-67.36
C[N@@H+](CC(=O)NC1CCOC(C)(C(=O)[O-])C1)C1CCSC1	REAL300005406715	1	45	0.0	-73.74	341.91	6.32	-67.42
CC(C)[NH+]1CCN(CCC(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005406731	0	55	0.0	-70.26	392.81	4.88	-65.38
CC(C)N1CC[NH+](CCC(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005406731	1	55	0.0	-71.28	394.42	5.06	-66.22
CC(C)[NH+]1CCN(CCCC(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005406732	0	58	0.0	-69.45	414.31	5.69	-63.76
CC(C)N1CC[NH+](CCCC(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005406732	1	58	0.0	-72.17	415.93	5.86	-66.31
CC1(C(=O)[O-])CC(NC(=O)C2CCCC3CCC[N@@H+]32)CCO1	REAL300005406733	0	48	0.0	-69.91	323.26	7.31	-62.60
CC1(C(=O)[O-])CC(NC(=O)C2CCCC3CCC[N@H+]32)CCO1	REAL300005406733	1	48	0.0	-61.57	347.06	6.95	-54.62
C[NH+](C)CCN1C=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300005406735	0	47	0.0	-85.30	357.45	6.54	-78.76
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3CCOC(C)(C(=O)[O-])C3)CC2)=C1	REAL300005406742	0	59	0.0	-75.68	436.78	8.09	-67.59
CC1(C(=O)[O-])CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCO1	REAL300005406744	0	56	0.0	-75.67	415.37	7.42	-68.25
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCO1	REAL300005406747	0	53	0.0	-73.32	392.36	7.73	-65.59
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCO1	REAL300005406747	1	53	0.0	-74.07	398.52	7.42	-66.65
CC(C(=O)NC1CCOC(C)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005406752	1	51	0.0	-72.83	361.39	9.39	-63.44
CC(C(=O)NC1CCOC(C)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005406752	1	51	0.0	-68.72	377.61	8.65	-60.07
CC1(C(=O)[O-])CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005406780	0	54	0.0	-74.90	405.47	9.26	-65.64
CC1(C(=O)[O-])CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005406780	1	54	0.0	-75.32	407.95	9.34	-65.98
C[NH+](C)CCN1C=CC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)=N1	REAL300005406795	0	47	0.0	-79.55	367.26	5.61	-73.94
C[NH+](C)CCN1N=CC=C1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406796	0	47	0.0	-67.02	362.59	5.54	-61.48
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406802	1	48	0.0	-64.94	368.52	7.30	-57.64
CC1C[N@H+](C)CC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)O1	REAL300005406813	1	45	0.0	-74.61	334.41	5.26	-69.35
CC1C[N@@H+](C)CC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)O1	REAL300005406813	1	45	0.0	-76.36	333.92	4.85	-71.51
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCO1	REAL300005406819	0	54	0.0	-74.69	410.11	9.36	-65.33
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCO1	REAL300005406819	1	54	0.0	-74.12	410.06	9.34	-64.78
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CCO1	REAL300005406820	1	50	0.0	-64.33	363.69	7.46	-56.87
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CCO1	REAL300005406820	1	50	0.0	-64.90	376.02	6.40	-58.50
CC(C[NH+]1CCOCC1)C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406825	0	48	0.0	-76.33	337.68	5.57	-70.76
CC1(C(=O)[O-])CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCO1	REAL300005406826	0	55	0.0	-75.54	413.13	6.84	-68.70
CC[N@@H+]1CCOC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005406848	1	45	0.0	-66.63	330.58	5.04	-61.59
CC[N@H+]1CCOC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005406848	1	45	0.0	-75.15	337.75	5.20	-69.95
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005406881	1	54	0.0	-80.14	399.35	7.45	-72.69
CC1(C(=O)[O-])CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCO1	REAL300005406882	0	54	0.0	-69.34	388.44	8.06	-61.28
CC1(C(=O)[O-])CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CCO1	REAL300005406882	1	54	0.0	-75.81	377.79	8.93	-66.88
CC1(C(=O)[O-])CC(NC(=O)C23CCC[NH+](CCC2)C3)CCO1	REAL300005406901	0	48	0.0	-71.52	339.96	6.29	-65.23
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406905	0	45	0.0	-71.56	314.36	3.01	-68.55
C[N@H+]1CC(O)CC1(C)C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406905	1	45	0.0	-69.32	330.31	2.16	-67.16
CC1(C(=O)[O-])CC(NC(=O)C2CCC3CCCC[N@@H+]32)CCO1	REAL300005406906	0	48	0.0	-66.45	340.98	8.00	-58.45
CC1(C(=O)[O-])CC(NC(=O)C2CCC3CCCC[N@H+]32)CCO1	REAL300005406906	1	48	0.0	-63.06	350.35	7.01	-56.05
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005406914	0	51	0.0	-76.13	348.59	5.98	-70.15
CC(C)[N@@H+]1CCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300005406919	0	60	0.0	-74.48	432.47	7.82	-66.66
CC(C)[N@H+]1CCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300005406919	1	60	0.0	-77.97	433.75	7.58	-70.39
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300005406920	0	54	0.0	-74.79	398.16	6.66	-68.13
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300005406920	1	54	0.0	-78.13	398.13	6.66	-71.47
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3CCOC(C)(C(=O)[O-])C3)=C2)CC1	REAL300005406925	0	56	0.0	-79.71	409.93	7.95	-71.76
C[NH+]1CCN(CC2=CC=C(C(=O)NC3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300005406926	0	56	0.0	-74.75	419.34	7.01	-67.74
CN1CC[NH+](CC2=CC=C(C(=O)NC3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300005406926	1	56	0.0	-77.99	418.81	6.89	-71.10
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300005406927	0	57	0.0	-74.63	421.90	8.45	-66.18
CC(C)[NH+]1CCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005406934	0	50	0.0	-75.08	341.60	7.43	-67.65
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCO1	REAL300005407053	0	58	0.0	-79.68	433.96	6.75	-72.93
C[NH+](C)CC1=CC=CC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)=C1	REAL300005407057	0	47	0.0	-74.62	360.71	7.58	-67.04
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005407058	0	54	0.0	-74.78	387.50	10.01	-64.77
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005407058	1	54	0.0	-70.67	403.66	9.27	-61.40
C#CC[NH+]1CCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005407126	0	46	0.0	-80.19	336.11	7.67	-72.52
CCC[N@@H+]1CCCCC1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005407128	0	50	0.0	-63.77	363.84	7.09	-56.68
CCC[N@H+]1CCCCC1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005407128	1	50	0.0	-70.80	350.23	7.92	-62.88
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005407130	0	47	0.0	-57.95	343.95	8.77	-49.18
CC[NH+]1CCN(CCC(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005407132	0	52	0.0	-76.69	371.72	5.70	-70.99
CCN1CC[NH+](CCC(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005407132	1	52	0.0	-71.41	381.18	4.74	-66.67
CC(C)C(C(=O)NC1CCOC(C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300005407134	0	53	0.0	-63.70	373.75	8.10	-55.60
C[NH+](C)C(C(=O)NC1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005407135	1	47	0.0	-66.85	357.30	7.58	-59.27
CC1(C(=O)[O-])CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005407139	0	52	0.0	-69.46	395.90	5.56	-63.90
CC1(C(=O)[O-])CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005407139	1	52	0.0	-70.02	395.87	5.57	-64.45
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005407145	1	48	0.0	-69.26	358.58	8.19	-61.07
C[NH+](C)CC1=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005407146	0	50	0.0	-67.75	387.85	7.95	-59.80
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)CCO1	REAL300005407151	0	51	0.0	-65.03	365.39	7.65	-57.38
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+]2C2CCCC2)CCO1	REAL300005407151	1	51	0.0	-70.51	352.67	8.22	-62.29
CC(C)C(C(=O)NC1CCOC(C)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300005407179	1	57	0.0	-66.31	406.63	7.15	-59.16
CC(C(=O)NC1CCOC(C)(C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300005407180	0	50	0.0	-65.23	353.66	6.87	-58.36
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCOC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300005407215	1	52	0.0	-79.33	395.52	8.02	-71.31
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCOC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300005407215	1	52	0.0	-84.13	386.20	8.94	-75.19
CC[NH+](CC)CC1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)O1	REAL300005407273	0	50	0.0	-71.88	382.93	7.26	-64.62
CC1(C(=O)[O-])CC(NC(=O)CCCC[NH+]2CCCC2)CCO1	REAL300005407274	0	50	0.0	-71.67	373.90	7.40	-64.27
CC1=CC=C(N2CCC(C(=O)NC3CCOC(C)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300005407276	1	53	0.0	-68.36	396.60	7.16	-61.20
C[N@H+](CC(=O)NC1CCOC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005407277	1	47	0.0	-76.00	349.77	8.63	-67.37
C[N@@H+](CC(=O)NC1CCOC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005407277	1	47	0.0	-72.54	359.23	7.69	-64.85
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300005407281	0	59	0.0	-86.18	419.28	8.89	-77.29
CC1(C(=O)[O-])CC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCO1	REAL300005407296	1	42	0.0	-78.21	341.87	5.53	-72.68
C[NH+](C)CC1=CC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)=NO1	REAL300005407325	1	43	0.0	-79.50	341.68	5.12	-74.38
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005407330	0	54	0.0	-73.46	404.60	9.18	-64.28
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005407330	1	54	0.0	-73.35	404.15	9.12	-64.23
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300005407354	0	55	0.0	-77.05	425.06	8.57	-68.48
C[NH+]1CCC(OCC(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005407371	0	48	0.0	-76.09	362.53	6.18	-69.91
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCO1	REAL300005407377	0	51	0.0	-73.54	387.66	7.68	-65.86
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2CCOC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300005407418	0	53	0.0	-73.35	381.96	8.06	-65.29
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2CCOC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300005407418	1	53	0.0	-69.69	395.29	7.38	-62.31
CCC[N@@H+]1CCCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005407561	0	50	0.0	-69.55	366.31	7.12	-62.43
CCC[N@H+]1CCCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005407561	1	50	0.0	-65.74	342.06	7.91	-57.83
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005407594	0	50	0.0	-66.45	357.12	7.35	-59.10
CC(C)C[N@H+]1CCCC1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005407594	1	50	0.0	-64.89	367.45	7.25	-57.64
CC1(C(=O)[O-])CC(NC(=O)C[NH+]2CCC(CO)CC2)CCO1	REAL300005407595	0	48	0.0	-71.68	356.37	3.28	-68.40
CC1(C(=O)[O-])CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CCO1	REAL300005407692	0	55	0.0	-86.04	399.86	10.44	-75.60
CC1(C(=O)[O-])CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CCO1	REAL300005407692	1	55	0.0	-86.69	401.18	10.43	-76.26
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCO1	REAL300005407730	1	54	0.0	-71.67	398.21	9.14	-62.53
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CCO1	REAL300005407730	1	54	0.0	-71.68	398.17	9.14	-62.54
CC(C)[N@@H+]1CCCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005407818	0	50	0.0	-64.14	355.23	7.10	-57.04
CC(C)[N@H+]1CCCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005407818	1	50	0.0	-65.00	338.26	7.77	-57.23
C[N@@H+]1CC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005407819	0	44	0.0	-77.27	326.98	6.80	-70.47
C[N@H+]1CC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005407819	1	44	0.0	-79.49	333.73	6.17	-73.32
CC1=C(C)[NH+]=C(CCC(=O)NC2CCOC(C)(C(=O)[O-])C2)N1	REAL300005407845	1	45	0.0	-69.46	343.38	6.32	-63.14
C[NH+](C)CCC1=CC=CC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)=C1	REAL300005408324	0	50	0.0	-81.93	373.80	9.35	-72.58
C[NH+](C)CCOC1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300005408331	0	51	0.0	-76.74	390.52	7.39	-69.35
CC1(C(=O)[O-])CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300005408420	0	57	0.0	-73.67	422.01	9.98	-63.69
CC1C[N@H+](CC2=CC=C(C(=O)NC3CCOC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300005408422	1	55	0.0	-79.49	414.81	7.79	-71.70
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CCOC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300005408422	1	55	0.0	-79.99	414.86	7.79	-72.20
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCOC(C)(C(=O)[O-])C2)CC1	REAL300005408467	0	50	0.0	-68.99	354.89	6.80	-62.19
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005408534	0	53	0.0	-68.70	368.03	8.92	-59.78
CC(C)C[N@H+]1CCCC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005408534	1	53	0.0	-68.70	368.03	8.92	-59.78
CN(C)CC1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)O1	REAL300005408540	0	44	0.0	-74.69	346.06	5.81	-68.88
C[NH+](C)CC1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)O1	REAL300005408540	1	44	0.0	-74.69	346.06	5.81	-68.88
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005408546	0	53	0.0	-78.92	348.57	7.52	-71.40
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CCOC(C)(C(=O)[O-])C2)C1	REAL300005408546	1	53	0.0	-78.92	348.57	7.52	-71.40
CC1(C(=O)[O-])CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCO1	REAL300005408549	0	46	0.0	-74.46	329.83	8.14	-66.32
CC1CC2=CC=CC=C2N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1C	REAL300005408618	0	50	0.0	-50.27	346.37	10.90	-39.37
CC1=CC(C)=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300005408753	0	52	0.0	-46.77	383.84	9.38	-37.39
CC1=CC(C)=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300005408753	1	52	0.0	-46.77	383.84	9.38	-37.39
CC(C)(C)C1=CC=C(C2(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300005408879	0	59	0.0	-47.76	444.70	11.81	-35.95
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CC2)CC(=O)CCO3)C1	REAL300005409003	0	50	0.0	-47.96	356.28	6.92	-41.04
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CC2)CC(=O)CCO3)C1	REAL300005409003	1	50	0.0	-50.63	363.77	7.38	-43.25
CC(C)CC1(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005409142	0	52	0.0	-45.99	370.43	10.41	-35.58
CC(C)CC1(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005409142	1	52	0.0	-46.29	374.35	10.18	-36.11
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1=C2CCCCC2=NNC1=O	REAL300005409321	0	49	0.0	-53.27	373.98	5.23	-48.04
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1=C2CCCCC2=NNC1=O	REAL300005409321	1	49	0.0	-48.77	367.76	5.21	-43.56
CCN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005410326	0	59	0.0	-60.53	434.79	14.15	-46.38
CCN(C(=O)C1CC[NH+](C2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411491	0	53	0.0	-69.35	383.81	11.71	-57.64
CCN(C(=O)C1CCC2=C[NH+]=C(C)N2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411515	1	51	0.0	-63.95	382.29	11.68	-52.27
CCN(C(=O)C(C)N1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411581	1	54	0.0	-67.57	392.29	8.94	-58.63
CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411613	0	49	0.0	-59.16	349.39	10.36	-48.80
CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411613	1	49	0.0	-53.52	358.54	10.64	-42.88
CCN(C(=O)C1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411680	0	49	0.0	-72.43	359.80	10.87	-61.56
CCN(C(=O)C1=CN2C=[NH+]C=C2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411707	0	44	0.0	-65.12	356.75	12.23	-52.89
CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411737	0	58	0.0	-80.73	386.46	11.57	-69.16
CCN(C(=O)CC[N@H+](C)C1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411741	0	58	0.0	-66.12	420.06	12.54	-53.58
CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411741	1	58	0.0	-64.36	418.43	12.57	-51.79
CCN(C(=O)C1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411754	0	46	0.0	-61.95	339.90	10.72	-51.23
CCN(C(=O)C1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411754	1	46	0.0	-61.75	337.92	10.06	-51.69
CCN(C(=O)C1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411801	0	49	0.0	-72.43	359.80	10.87	-61.56
CCN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411804	0	52	0.0	-81.93	402.25	11.47	-70.46
CCN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411815	0	60	0.0	-45.54	418.56	11.17	-34.37
CCN(C(=O)CCCN1C=C[NH+]=C1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411847	1	50	0.0	-66.45	392.31	11.83	-54.62
CCN(C(=O)CCCC[NH+]1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411848	1	56	0.0	-72.15	418.24	10.54	-61.61
CCN(C(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411850	0	61	0.0	-80.42	435.07	13.65	-66.77
CCN(C(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411850	1	61	0.0	-78.03	435.61	13.80	-64.23
CCN(C(=O)[C@H]1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411853	0	46	0.0	-56.83	341.87	10.07	-46.76
CCN(C(=O)[C@H]1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411853	1	46	0.0	-56.72	341.07	9.39	-47.33
CCN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411890	0	56	0.0	-69.15	426.08	13.77	-55.38
CCN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411890	1	56	0.0	-65.42	421.52	13.22	-52.20
CCN(C(=O)C1CC[NH+](C2CCSC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411891	0	57	0.0	-82.83	420.79	12.99	-69.84
CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411915	0	60	0.0	-66.74	418.28	10.83	-55.91
CCC(C(=O)N(CC)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](CC)CC	REAL300005411919	0	54	0.0	-53.65	379.40	10.84	-42.81
CCN(C(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411921	0	55	0.0	-40.21	409.23	13.14	-27.07
CCN(C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411921	1	55	0.0	-58.58	410.28	13.13	-45.45
CCN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411941	0	51	0.0	-80.93	388.38	10.48	-70.45
CCC[NH+](CCC)CCCC(=O)N(CC)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411945	0	60	0.0	-68.94	439.28	12.85	-56.09
CCN(C(=O)C1C[N@H+](C)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411947	1	47	0.0	-68.27	353.58	9.16	-59.11
CCN(C(=O)C1C[N@@H+](C)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411947	1	47	0.0	-68.81	341.92	9.30	-59.51
CCN(C(=O)CN1C=C[NH+]=C1C(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411954	1	50	0.0	-58.87	375.63	12.46	-46.41
CCN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411969	0	56	0.0	-82.34	418.31	13.49	-68.85
CCN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411974	0	59	0.0	-69.25	428.62	13.96	-55.29
CCN(C(=O)C1(C[NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411977	0	49	0.0	-70.82	353.31	10.12	-60.70
CCN(C(=O)CCCC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411985	0	51	0.0	-72.39	386.65	11.06	-61.33
CCN(C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412006	1	50	0.0	-77.65	389.56	10.33	-67.32
CCN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412009	0	59	0.0	-82.95	432.18	14.29	-68.66
CCN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412020	1	52	0.0	-75.74	401.88	11.51	-64.23
CCN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412021	0	55	0.0	-84.64	417.81	13.12	-71.52
CCN(C(=O)C1=CC=C(C)[NH+]=C1NC)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412026	1	48	0.0	-57.37	376.47	9.65	-47.72
CCN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412027	1	57	0.0	-80.73	428.01	13.01	-67.72
CCN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412027	1	57	0.0	-57.15	422.31	13.14	-44.01
CCC[N@H+](C)CC(=O)N(CC)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412034	0	48	0.0	-60.61	356.65	10.70	-49.91
CCC[N@@H+](C)CC(=O)N(CC)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412034	1	48	0.0	-59.97	354.92	11.21	-48.76
CCN(C(=O)C[N@H+](C)C1CCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412048	0	49	0.0	-57.90	366.34	11.25	-46.65
CCN(C(=O)C[N@@H+](C)C1CCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412048	1	49	0.0	-58.64	362.07	11.78	-46.86
CCN(C(=O)C(C)[NH+]1CCSCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412069	1	50	0.0	-60.45	376.88	10.80	-49.65
CCN(C(=O)C[N@H+](C)CC(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412075	0	54	0.0	-60.84	386.34	11.64	-49.20
CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412075	1	54	0.0	-60.55	383.25	12.16	-48.39
CCN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412077	0	55	0.0	-64.91	420.57	13.77	-51.14
CCN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412077	1	55	0.0	-63.24	416.11	14.27	-48.97
CCN(C(=O)CC[N@H+](C)CCOCCOC)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412078	0	59	0.0	-65.26	447.84	9.59	-55.67
CCN(C(=O)CC[N@@H+](C)CCOCCOC)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412078	1	59	0.0	-65.46	449.99	9.57	-55.89
CC[C@@H](C(=O)N(CC)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](C)C	REAL300005412081	0	48	0.0	-55.72	340.49	9.63	-46.09
CCN(C(=O)CC1(O)CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412083	0	53	0.0	-59.47	387.09	9.67	-49.80
CCN(C(=O)CC1(O)CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412083	1	53	0.0	-59.48	381.65	9.04	-50.44
CCCCCC[N@H+](C)CC(=O)N(CC)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412095	0	57	0.0	-62.93	425.54	13.05	-49.88
CCCCCC[N@@H+](C)CC(=O)N(CC)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412095	1	57	0.0	-60.94	419.56	13.56	-47.38
CCN(C(=O)C1=CC2=C[NH+]=CN2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412109	1	44	0.0	-72.72	338.66	12.33	-60.39
CCN(C(=O)C[N@H+](C)C1CCSC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412119	0	50	0.0	-62.69	378.46	11.16	-51.53
CCN(C(=O)C[N@@H+](C)C1CCSC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412119	1	50	0.0	-64.81	377.72	12.05	-52.76
CCN(C(=O)CCN1CC[NH+](C(C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412134	0	60	0.0	-70.49	437.31	10.53	-59.96
CCN(C(=O)CC[NH+]1CCN(C(C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412134	1	60	0.0	-64.97	433.32	9.92	-55.05
CCN(C(=O)CCCN1CC[NH+](C(C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412135	0	63	0.0	-68.80	451.72	10.56	-58.24
CCN(C(=O)CCC[NH+]1CCN(C(C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412135	1	63	0.0	-67.98	453.14	10.71	-57.27
CCN(C(=O)C1CCCC2CCC[N@@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412136	0	53	0.0	-52.39	366.79	11.17	-41.22
CCN(C(=O)C1CCCC2CCC[N@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412136	1	53	0.0	-51.79	382.93	11.93	-39.86
CCN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412138	0	52	0.0	-78.76	396.87	9.87	-68.89
CCN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412143	0	58	0.0	-55.82	427.26	12.33	-43.49
CCN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412143	1	58	0.0	-61.48	418.30	12.41	-49.07
CCN(C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412148	1	56	0.0	-59.02	411.01	13.45	-45.57
CCN(C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412148	1	56	0.0	-40.96	409.77	13.27	-27.69
CCN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412163	0	59	0.0	-72.92	446.69	14.18	-58.74
CCN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412163	1	59	0.0	-72.83	445.74	14.12	-58.71
CCN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412176	0	52	0.0	-85.94	398.42	11.26	-74.68
CCN(C(=O)C1=CC=NN1CC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412177	0	52	0.0	-57.07	391.30	10.33	-46.74
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412179	0	49	0.0	-66.32	351.73	10.20	-56.12
CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412179	1	49	0.0	-74.23	351.95	10.26	-63.97
CCC1=[NH+]C=CN1C(C)CC(=O)N(CC)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412180	1	53	0.0	-60.68	407.29	12.14	-48.54
CC[C@@H]1[C@@H](C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300005412183	0	52	0.0	-67.53	376.03	10.53	-57.00
CC[C@@H]1[C@@H](C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300005412183	1	52	0.0	-66.09	379.90	10.76	-55.33
CCN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412185	1	53	0.0	-74.76	394.99	10.38	-64.38
CCN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412185	1	53	0.0	-79.10	403.33	10.94	-68.16
CCN(C(=O)C1C[N@H+](C)CC(C)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412190	1	50	0.0	-80.45	375.66	10.35	-70.10
CCN(C(=O)C1C[N@@H+](C)CC(C)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412190	1	50	0.0	-51.27	368.72	9.74	-41.53
CCN(C(=O)C[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412197	0	46	0.0	-56.92	343.92	9.93	-46.99
CCN(C(=O)CN1C=C[NH+]=C1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412199	1	44	0.0	-60.38	349.72	10.88	-49.50
CCN(C(=O)C(C)C[NH+]1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412201	1	53	0.0	-68.11	383.58	9.46	-58.65
CCN(C(=O)C[NH+]1CCC(C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412219	0	52	0.0	-59.39	384.89	11.40	-47.99
CCN(C(=O)C1C[N@H+](CC)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412230	1	50	0.0	-76.38	372.43	10.23	-66.15
CCN(C(=O)C1C[N@@H+](CC)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412230	1	50	0.0	-55.68	364.09	9.99	-45.69
CCN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412260	0	59	0.0	-68.13	423.29	13.06	-55.07
CCN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412260	1	59	0.0	-67.29	422.63	13.04	-54.25
CCN(C(=O)CCC1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412266	0	52	0.0	-66.02	381.48	10.97	-55.05
CCN(C(=O)CCC1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412266	1	52	0.0	-71.31	387.21	11.78	-59.53
CCN(C(=O)C1CCC2CCCC[N@@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412277	0	53	0.0	-38.95	379.45	11.79	-27.16
CCN(C(=O)C1CCC2CCCC[N@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412277	1	53	0.0	-57.88	379.72	11.38	-46.50
CCN(C(=O)C[NH+](CC)CC)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412297	0	48	0.0	-57.13	351.14	9.97	-47.16
CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412299	0	55	0.0	-55.53	392.53	11.78	-43.75
CCN(C(=O)C12CC[NH+](CC1)C2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412366	0	47	0.0	-72.19	332.27	8.86	-63.33
CCC(C(=O)N(CC)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](C)C	REAL300005412369	0	48	0.0	-56.89	346.89	9.87	-47.02
CCN(C(=O)C12CC[N@H+](C1)CCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412376	0	50	0.0	-71.65	342.40	9.55	-62.10
CCN(C(=O)C12CC[N@@H+](C1)CCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412376	1	50	0.0	-54.83	342.01	9.74	-45.09
CCN(C(=O)C[NH+]1C(C)CCC1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412413	0	52	0.0	-54.42	377.17	10.82	-43.60
CCN(C(=O)C1=CC=CC(C[NH+](C)C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412414	0	52	0.0	-73.21	393.80	12.33	-60.88
CCN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412415	0	59	0.0	-63.53	439.16	14.34	-49.19
CCN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412415	1	59	0.0	-51.57	431.93	13.97	-37.60
C#CC[NH+]1CCC(C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300005412467	0	51	0.0	-58.24	383.00	11.75	-46.49
CCN(C(=O)CCN1CC[NH+](CC)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412469	0	57	0.0	-72.33	414.54	9.92	-62.41
CCN(C(=O)CC[NH+]1CCN(CC)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412469	1	57	0.0	-64.20	418.58	9.62	-54.58
CCN(C(=O)C[N@H+](C)C(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412470	0	48	0.0	-58.54	351.92	10.33	-48.21
CCN(C(=O)C[N@@H+](C)C(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412470	1	48	0.0	-58.72	350.09	11.00	-47.72
CCN(C(=O)CCN1C=C[NH+]=C1C(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412475	1	53	0.0	-58.86	405.40	12.11	-46.75
CCN(C(=O)C[N@H+](CC)C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412482	0	49	0.0	-55.86	365.93	10.93	-44.93
CCN(C(=O)C[N@@H+](CC)C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412482	1	49	0.0	-55.69	370.25	10.94	-44.75
CCN(C(=O)C(C)[NH+]1CCCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412507	0	55	0.0	-54.25	384.46	11.87	-42.38
CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412511	0	46	0.0	-60.59	340.29	9.49	-51.10
CCN(C(=O)[C@@H]1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412511	1	46	0.0	-59.41	341.03	10.05	-49.36
CCN(C(=O)C[NH2+]C(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412580	0	48	0.0	-57.69	360.23	8.61	-49.08
CCN(C(=O)C1=CC=C(C[NH+](CC)CC)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412582	0	55	0.0	-73.93	412.67	12.61	-61.32
CCN(C(=O)CCCC[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412583	0	55	0.0	-70.20	412.99	12.27	-57.93
CCN(C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412585	1	58	0.0	-67.05	430.04	11.77	-55.28
CCN(C(=O)C[N@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412586	1	52	0.0	-63.71	393.64	12.88	-50.83
CCN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412586	1	52	0.0	-64.34	393.66	13.41	-50.93
CCN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412611	1	47	0.0	-76.56	372.57	10.19	-66.37
CCN(C(=O)C1=NOC(C[NH+](C)C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412633	1	48	0.0	-77.83	377.52	10.45	-67.38
CCN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412637	0	59	0.0	-71.20	434.16	14.05	-57.15
CCN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412637	1	59	0.0	-62.65	440.72	13.83	-48.82
CCN(C(=O)C1CCC[N@@H+]1C(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412650	0	52	0.0	-53.56	361.96	11.08	-42.48
CCN(C(=O)C1CCC[N@H+]1C(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412650	1	52	0.0	-59.58	366.40	10.93	-48.65
CCN(C(=O)COC1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412667	0	53	0.0	-75.51	401.24	11.05	-64.46
CCN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412671	0	56	0.0	-76.09	416.11	13.04	-63.05
CCC[N@@H+]1CCCC(C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005412817	0	55	0.0	-59.78	395.26	12.10	-47.68
CCC[N@H+]1CCCC(C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300005412817	1	55	0.0	-48.31	396.43	12.33	-35.98
CCN(C(=O)C[NH+]1CCC(CO)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412842	0	53	0.0	-60.06	395.62	8.09	-51.97
CCN(C(=O)C1CCC[N@@H+](C(C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413018	0	55	0.0	-64.65	399.28	11.59	-53.06
CCN(C(=O)C1CCC[N@H+](C(C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413018	1	55	0.0	-65.94	396.07	11.95	-53.99
CCN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413019	0	49	0.0	-79.36	366.13	10.70	-68.66
CCN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413019	1	49	0.0	-67.59	361.24	10.26	-57.33
CCN(C(=O)CCC1=[NH+]C(C)=C(C)N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413043	1	50	0.0	-59.54	390.21	10.24	-49.30
CCN(C(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413432	0	55	0.0	-83.44	419.31	13.30	-70.14
CCN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413439	0	56	0.0	-80.46	421.13	12.15	-68.31
CCN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413554	0	49	0.0	-71.22	366.11	11.02	-60.20
CCN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413558	0	55	0.0	-49.80	386.93	11.75	-38.05
CCN(C(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413562	0	47	0.0	-61.71	359.13	12.06	-49.65
CCN(C(=O)C1CCC[N@H+](CC(C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413611	0	58	0.0	-57.46	406.01	12.58	-44.88
CCN(C(=O)C1CCC[N@@H+](CC(C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413611	1	58	0.0	-64.37	420.14	12.55	-51.82
CCN(C(=O)C1CCC[N@H+](CC)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413612	0	52	0.0	-50.37	373.40	11.04	-39.33
CCN(C(=O)C1CCC[N@@H+](CC)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413612	1	52	0.0	-58.12	365.36	11.16	-46.96
CCN(C(=O)C1CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413617	0	49	0.0	-52.65	355.76	10.53	-42.12
CCN(C(=O)C1CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413617	1	49	0.0	-67.24	357.18	10.58	-56.66
CCN(C(=O)C1=CC=C(C[NH+](C)C)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413619	1	49	0.0	-76.98	379.41	11.13	-65.85
CCN(C(=O)C12CC(C1)C[N@@H+]2C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413627	0	51	0.0	-58.44	364.12	10.71	-47.73
CCN(C(=O)C12CC(C1)C[N@H+]2C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413627	1	51	0.0	-63.47	357.99	12.23	-51.24
CN1N=C(C2CC2)N=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005413697	0	46	0.0	-52.91	359.07	7.02	-45.89
CN1N=C(C2CC2)N=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005413697	1	46	0.0	-54.81	366.15	7.07	-47.74
CN(CC1=CC=CC2=C1OCO2)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005413864	0	46	0.0	-45.84	350.58	8.16	-37.68
CN(CC1=CC=CC2=C1OCO2)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005413864	1	46	0.0	-49.58	355.61	8.92	-40.66
CC(C)(C)C1=CC=C(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300005414005	0	56	0.0	-48.27	416.88	11.26	-37.01
CC(C)(C)C1=CC=C(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300005414005	1	56	0.0	-45.32	411.40	10.72	-34.60
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOCC12CCCCC2	REAL300005414112	0	54	0.0	-47.79	369.53	7.98	-39.81
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOCC12CCCCC2	REAL300005414112	1	54	0.0	-48.25	375.04	7.94	-40.31
O=C([O-])C12COC(CN1C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300005415208	0	49	0.0	-84.84	370.40	9.67	-75.17
CC1=[NH+]C=C2CCC(C(=O)N3CC4CC3(C(=O)[O-])CO4)CN12	REAL300005416496	1	41	0.0	-71.06	318.84	7.17	-63.89
CC1=NC(C[NH+]2CCC(C(=O)N3CC4CC3(C(=O)[O-])CO4)CC2)=CS1	REAL300005416548	1	48	0.0	-79.92	378.80	7.76	-72.16
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300005416610	0	52	0.0	-85.43	404.57	9.29	-76.14
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)=C1	REAL300005416616	0	52	0.0	-83.79	399.21	11.18	-72.61
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)=C1	REAL300005416616	1	52	0.0	-83.93	398.90	11.21	-72.72
C[NH+](C)CC1(C(=O)N2CC3CC2(C(=O)[O-])CO3)CCCCC1	REAL300005416684	0	48	0.0	-70.36	321.78	7.53	-62.83
C[N@H+](CCC(=O)N1CC2CC1(C(=O)[O-])CO2)C1CCCCC1	REAL300005416686	0	48	0.0	-73.28	348.94	8.14	-65.14
C[N@@H+](CCC(=O)N1CC2CC1(C(=O)[O-])CO2)C1CCCCC1	REAL300005416686	1	48	0.0	-73.44	348.95	8.13	-65.31
O=C([O-])C12COC(CN1C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300005416745	0	42	0.0	-91.27	333.43	6.73	-84.54
O=C([O-])C12COC(CN1C(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300005416764	0	50	0.0	-84.97	362.09	6.72	-78.25
O=C([O-])C12COC(CN1C(=O)CCCC[NH+]1CCOCC1)C2	REAL300005416788	1	46	0.0	-80.94	348.79	6.14	-74.80
CC[N@H+](CC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1)C(C)C	REAL300005416789	0	51	0.0	-88.74	367.80	9.02	-79.72
CC[N@@H+](CC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1)C(C)C	REAL300005416789	1	51	0.0	-88.07	359.27	8.70	-79.37
O=C([O-])C12COC(CN1C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005416806	0	46	0.0	-73.88	349.81	8.71	-65.17
O=C([O-])C12COC(CN1C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005416806	1	46	0.0	-73.94	350.13	8.73	-65.21
O=C([O-])C12COC(CN1C(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300005416807	0	47	0.0	-82.71	351.68	7.79	-74.92
O=C([O-])C12COC(CN1C(=O)CC1([NH+]3CCOCC3)CCCC1)C2	REAL300005416829	0	50	0.0	-73.89	346.44	6.21	-67.68
CC(C(=O)N1CC2CC1(C(=O)[O-])CO2)[N@H+](C)CC1=CC=CC=C1	REAL300005416832	0	45	0.0	-65.03	339.07	8.41	-56.62
CC(C(=O)N1CC2CC1(C(=O)[O-])CO2)[N@@H+](C)CC1=CC=CC=C1	REAL300005416832	1	45	0.0	-67.47	342.52	8.48	-58.99
O=C([O-])C12COC(CN1C(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300005416840	0	52	0.0	-78.57	394.24	10.49	-68.08
O=C([O-])C12COC(CN1C(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300005416840	1	52	0.0	-83.49	393.67	10.53	-72.96
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)C=N1	REAL300005416857	0	41	0.0	-87.85	316.20	5.79	-82.06
CCC[NH+](CCC)CCCC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300005416864	0	50	0.0	-74.98	367.05	8.39	-66.59
O=C([O-])C12COC(CN1C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300005416882	0	46	0.0	-92.51	347.13	8.77	-83.74
O=C([O-])C12COC(CN1C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300005416887	0	49	0.0	-80.17	364.06	9.43	-70.74
CCN1CCC([NH+]2CCC(C(=O)N3CC4CC3(C(=O)[O-])CO4)CC2)CC1	REAL300005416893	0	57	0.0	-80.12	403.09	7.24	-72.88
CC1C[NH+](CC2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CC(C)O1	REAL300005416900	1	53	0.0	-94.89	397.42	8.47	-86.42
O=C([O-])C12COC(CN1C(=O)CC1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300005416909	1	50	0.0	-87.25	377.65	8.79	-78.46
O=C([O-])C12COC(CN1C(=O)CC1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300005416909	1	50	0.0	-87.30	377.40	8.79	-78.51
CC1=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)C=NN1C1=CC=[NH+]C=C1	REAL300005416923	1	40	0.0	-85.11	319.46	6.01	-79.10
O=C([O-])C12COC(CN1C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300005416926	0	49	0.0	-90.10	361.93	9.51	-80.59
O=C([O-])C12COC(CN1C(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300005416937	1	42	0.0	-81.29	331.25	6.77	-74.52
C[NH+](C)CCC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300005416938	0	45	0.0	-95.80	344.82	8.47	-87.33
CC(C(=O)N1CC2CC1(C(=O)[O-])CO2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005416951	0	55	0.0	-65.02	408.52	10.91	-54.11
CC(C(=O)N1CC2CC1(C(=O)[O-])CO2)[NH+]1CCSCC1	REAL300005416973	1	40	0.0	-64.85	308.42	6.38	-58.47
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300005416980	0	45	0.0	-67.16	349.64	8.87	-58.29
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300005416980	1	45	0.0	-67.38	349.15	8.93	-58.45
COCCOCC[N@H+](C)CCC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300005416981	0	49	0.0	-72.31	377.93	5.21	-67.10
COCCOCC[N@@H+](C)CCC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300005416981	1	49	0.0	-74.15	378.20	5.22	-68.93
O=C([O-])C12COC(CN1C(=O)CCC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300005416988	0	54	0.0	-79.68	404.82	8.69	-70.99
C[N@H+](CC(=O)N1CC2CC1(C(=O)[O-])CO2)C1CCSC1	REAL300005417010	0	40	0.0	-68.44	309.88	6.70	-61.74
C[N@@H+](CC(=O)N1CC2CC1(C(=O)[O-])CO2)C1CCSC1	REAL300005417010	1	40	0.0	-70.40	309.38	6.72	-63.68
CC(C)[NH+]1CCN(CCC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300005417020	0	50	0.0	-77.43	365.86	5.72	-71.71
CC(C)N1CC[NH+](CCC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300005417020	1	50	0.0	-71.89	362.38	5.52	-66.37
CC(C)[NH+]1CCN(CCCC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300005417021	0	53	0.0	-76.13	387.38	6.53	-69.60
CC(C)N1CC[NH+](CCCC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300005417021	1	53	0.0	-75.45	383.88	6.33	-69.12
C[NH+](C)CCN1C=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)C=N1	REAL300005417023	0	42	0.0	-86.26	328.91	5.68	-80.58
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4CC3(C(=O)[O-])CO4)CC2)=C1	REAL300005417026	0	54	0.0	-75.64	404.74	8.55	-67.09
O=C([O-])C12COC(CN1C(=O)CC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300005417028	0	51	0.0	-75.69	383.33	7.89	-67.80
O=C([O-])C12COC(CN1C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300005417031	0	48	0.0	-72.71	356.89	7.97	-64.74
O=C([O-])C12COC(CN1C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300005417031	1	48	0.0	-74.76	364.69	7.69	-67.07
CC(C(=O)N1CC2CC1(C(=O)[O-])CO2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005417036	1	46	0.0	-66.63	343.13	8.79	-57.84
CC(C(=O)N1CC2CC1(C(=O)[O-])CO2)[N@H+]1CCC2=CC=CC=C2C1	REAL300005417036	1	46	0.0	-66.53	344.23	8.85	-57.68
O=C([O-])C12COC(CN1C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005417055	0	49	0.0	-80.13	375.59	9.71	-70.42
O=C([O-])C12COC(CN1C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005417055	1	49	0.0	-80.17	374.89	9.78	-70.39
C[NH+](C)CCN1C=CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300005417066	0	42	0.0	-96.93	332.27	6.20	-90.73
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300005417067	0	42	0.0	-57.65	323.93	5.67	-51.98
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300005417068	1	43	0.0	-67.51	335.98	7.73	-59.78
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)=NN1	REAL300005417071	1	43	0.0	-80.34	326.47	5.18	-75.16
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)=NN1	REAL300005417071	1	43	0.0	-81.93	327.33	5.06	-76.87
O=C([O-])C12COC(CN1C(=O)C1CCC[N@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300005417079	0	49	0.0	-72.66	368.37	9.80	-62.86
O=C([O-])C12COC(CN1C(=O)C1CCC[N@@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300005417079	1	49	0.0	-74.86	376.07	9.62	-65.24
O=C([O-])C12COC(CN1C(=O)CC[NH+]1CCN(C3=CC=CC=N3)CC1)C2	REAL300005417083	0	50	0.0	-75.81	381.09	7.30	-68.51
O=C([O-])C12COC(CN1C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300005417119	0	49	0.0	-70.26	352.22	8.27	-61.99
O=C([O-])C12COC(CN1C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300005417119	1	49	0.0	-70.88	352.79	8.27	-62.61
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4CC3(C(=O)[O-])CO4)=C2)CC1	REAL300005417144	0	51	0.0	-79.76	381.17	7.00	-72.76
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CC1	REAL300005417145	0	51	0.0	-90.11	382.74	6.71	-83.40
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CC1	REAL300005417145	1	51	0.0	-93.45	380.57	6.89	-86.56
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300005417146	0	52	0.0	-88.22	386.89	8.68	-79.54
O=C([O-])C12COC(CN1C(=O)C1=CC=C(C[NH+]3CCC(CO)CC3)C=C1)C2	REAL300005417223	0	53	0.0	-94.90	395.72	6.75	-88.15
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)=C1	REAL300005417227	0	42	0.0	-81.58	322.48	7.57	-74.01
O=C([O-])C12COC(CN1C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005417228	0	49	0.0	-72.12	371.56	9.60	-62.52
O=C([O-])C12COC(CN1C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005417228	1	49	0.0	-71.40	368.98	9.51	-61.89
CC[NH+]1CCN(CCC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300005417269	0	47	0.0	-80.66	347.95	5.05	-75.61
CCN1CC[NH+](CCC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300005417269	1	47	0.0	-71.99	349.11	5.19	-66.80
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300005417275	1	43	0.0	-66.95	335.43	7.74	-59.21
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CC3(C(=O)[O-])CO4)=CC=C1N2	REAL300005417322	1	47	0.0	-88.13	357.15	7.97	-80.16
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CC3(C(=O)[O-])CO4)=CC=C1N2	REAL300005417322	1	47	0.0	-101.22	357.37	8.03	-93.19
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)O1	REAL300005417362	0	45	0.0	-85.38	348.05	7.68	-77.70
CC1=CC=C(N2CCC(C(=O)N3CC4CC3(C(=O)[O-])CO4)CC2)[NH+]=C1	REAL300005417363	1	48	0.0	-80.47	363.20	7.51	-72.96
C[N@H+](CC(=O)N1CC2CC1(C(=O)[O-])CO2)CC1=CC=CC=C1	REAL300005417364	1	42	0.0	-69.18	326.65	8.08	-61.10
C[N@@H+](CC(=O)N1CC2CC1(C(=O)[O-])CO2)CC1=CC=CC=C1	REAL300005417364	1	42	0.0	-70.12	328.27	7.88	-62.24
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CC1	REAL300005417367	0	54	0.0	-93.15	390.52	7.94	-85.21
O=C([O-])C12COC(CN1C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300005417376	1	37	0.0	-83.68	303.36	5.68	-78.00
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300005417403	0	49	0.0	-81.50	369.11	9.33	-72.17
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300005417403	1	49	0.0	-80.21	371.01	9.39	-70.82
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300005417420	0	50	0.0	-91.63	392.29	8.98	-82.65
O=C([O-])C12COC(CN1C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300005417434	0	46	0.0	-86.93	352.88	8.13	-78.80
C[N@@H+]1CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)C(C(F)(F)F)C1	REAL300005417728	0	39	0.0	-73.13	309.82	6.14	-66.99
C[N@H+]1CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)C(C(F)(F)F)C1	REAL300005417728	1	39	0.0	-84.53	296.83	6.36	-78.17
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)=C1	REAL300005418068	0	45	0.0	-84.37	344.78	8.45	-75.92
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300005418073	0	46	0.0	-90.80	352.29	7.37	-83.43
O=C([O-])C12COC(CN1C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300005418145	0	52	0.0	-76.71	389.73	10.45	-66.26
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CCO1	REAL300005418147	1	50	0.0	-91.81	367.40	7.82	-83.99
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CCO1	REAL300005418147	1	50	0.0	-94.71	369.66	7.77	-86.94
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CC3(C(=O)[O-])CO4)=CN21	REAL300005418171	0	37	0.0	-73.46	298.05	7.51	-65.95
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300005418208	0	48	0.0	-74.93	351.60	8.21	-66.72
CC(C)C[N@H+]1CCCC(C(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300005418208	1	48	0.0	-70.83	351.55	8.13	-62.70
CN1C=NC=C1C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005418297	0	50	0.0	-53.88	373.06	10.09	-43.79
CN1C=NC=C1C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005418297	1	50	0.0	-50.52	366.38	9.64	-40.88
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(CCCO3)C2)C1	REAL300005418387	0	48	0.0	-46.55	348.68	7.63	-38.92
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(CCCO3)C2)C1	REAL300005418387	1	48	0.0	-46.59	349.47	7.64	-38.95
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005419735	0	57	0.0	-48.67	426.31	13.16	-35.51
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005419735	1	57	0.0	-49.60	432.57	13.58	-36.02
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300005420482	0	54	0.0	-70.88	391.81	12.36	-58.52
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300005420507	0	51	0.0	-49.57	381.61	11.00	-38.57
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300005420507	1	51	0.0	-49.19	377.98	10.85	-38.34
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])CC(C4=CC=CC=C4)C3)CN12	REAL300005420513	1	52	0.0	-50.28	398.86	11.70	-38.58
C[N@@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005420587	0	50	0.0	-50.62	369.62	10.62	-40.00
C[N@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005420587	1	50	0.0	-52.04	359.16	10.16	-41.88
CC(C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)N1CC[NH+](C)CC1	REAL300005420588	1	55	0.0	-61.52	404.81	8.93	-52.59
C[N@@H+]1CCCC[C@H]1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005420625	0	50	0.0	-55.11	358.65	11.02	-44.09
C[N@H+]1CCCC[C@H]1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005420625	1	50	0.0	-58.76	353.72	10.77	-47.99
C[NH+]1CCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)CC1	REAL300005420702	0	50	0.0	-78.37	373.88	10.65	-67.72
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300005420732	0	45	0.0	-66.91	355.11	12.32	-54.59
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)CCCCC1	REAL300005420763	0	59	0.0	-78.67	392.77	13.41	-65.26
C[N@H+](CCC(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)C1CCCCC1	REAL300005420768	0	59	0.0	-56.66	428.90	12.72	-43.94
C[N@@H+](CCC(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)C1CCCCC1	REAL300005420768	1	59	0.0	-56.94	428.89	12.72	-44.22
C[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005420784	0	47	0.0	-52.33	348.41	9.60	-42.73
C[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005420784	1	47	0.0	-56.76	341.43	9.57	-47.19
C[NH+]1CCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)CC1	REAL300005420835	0	50	0.0	-78.37	373.88	10.65	-67.72
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300005420854	0	60	0.0	-52.82	415.34	13.11	-39.71
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300005420854	1	60	0.0	-47.86	425.39	12.79	-35.07
CC1=[NH+]C=CN1CCCC(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005420888	1	51	0.0	-56.96	393.72	12.00	-44.96
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300005420889	1	57	0.0	-63.60	428.73	10.72	-52.88
C[C@@H](C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)[NH+](C)C	REAL300005420895	0	46	0.0	-52.79	345.57	9.39	-43.40
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005420896	0	47	0.0	-40.18	341.40	9.60	-30.58
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005420896	1	47	0.0	-51.36	352.68	9.91	-41.45
C[C@H](C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)[NH+](C)C	REAL300005420900	0	46	0.0	-51.80	344.55	9.34	-42.46
C[NH+](C)C1(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)CC1	REAL300005420908	0	47	0.0	-52.34	351.56	9.65	-42.69
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CC(C)[N@@H+](C)CC(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005421619	1	49	0.0	-50.76	364.39	10.27	-40.49
CC(C)C(C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)[NH+]1CCCCC1	REAL300005421620	0	59	0.0	-48.99	410.89	12.39	-36.60
C[NH+](C)C(C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300005421621	1	53	0.0	-50.67	401.78	12.38	-38.29
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005421628	1	54	0.0	-51.21	414.17	12.46	-38.75
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300005421634	0	57	0.0	-49.09	411.70	12.34	-36.75
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300005421634	1	57	0.0	-55.82	412.09	12.50	-43.32
CC[N@H+](CC(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)C1CC1	REAL300005421636	0	50	0.0	-46.54	373.66	11.18	-35.36
CC[N@@H+](CC(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)C1CC1	REAL300005421636	1	50	0.0	-46.44	369.06	11.02	-35.42
CC(C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)[NH+]1CCCCCC1	REAL300005421660	0	56	0.0	-49.27	398.78	11.44	-37.83
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005421663	0	47	0.0	-53.52	350.88	10.09	-43.43
C[N@H+]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005421663	1	47	0.0	-51.40	348.11	9.60	-41.80
CC(C)(C)[NH2+]CC(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005421736	0	49	0.0	-52.94	369.42	8.79	-44.15
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)O1	REAL300005421738	0	56	0.0	-79.49	422.27	11.89	-67.60
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300005421739	0	56	0.0	-63.05	412.47	12.31	-50.74
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)CC1=CC=CC=C1	REAL300005421741	1	53	0.0	-54.73	406.63	12.66	-42.07
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)CC1=CC=CC=C1	REAL300005421741	1	53	0.0	-54.37	406.00	12.62	-41.75
CC(C)[C@@H](C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1)[NH+](C)C	REAL300005421751	0	52	0.0	-52.20	368.57	10.72	-41.48
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005421770	1	48	0.0	-79.31	385.72	10.14	-69.17
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)=NO1	REAL300005421794	1	49	0.0	-79.64	380.56	10.42	-69.22
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005421808	0	53	0.0	-54.07	375.01	11.54	-42.53
CC(C)[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005421808	1	53	0.0	-49.72	384.07	10.93	-38.79
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)CC1	REAL300005421828	0	54	0.0	-64.03	409.88	11.23	-52.80
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300005421832	0	57	0.0	-77.52	427.80	12.68	-64.84
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005421996	0	56	0.0	-55.06	403.90	11.92	-43.14
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005421996	1	56	0.0	-50.68	404.60	12.11	-38.57
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005422024	0	56	0.0	-49.87	398.93	11.62	-38.25
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300005422024	1	56	0.0	-47.31	402.40	12.15	-35.16
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300005422025	0	54	0.0	-48.13	397.94	8.32	-39.81
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422225	0	56	0.0	-54.45	399.09	11.69	-42.76
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422225	1	56	0.0	-63.07	398.90	11.87	-51.20
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C(C(F)(F)F)C1	REAL300005422226	0	50	0.0	-57.20	389.52	10.57	-46.63
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C(C(F)(F)F)C1	REAL300005422226	1	50	0.0	-71.62	378.29	10.35	-61.27
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)N1	REAL300005422249	1	51	0.0	-52.53	400.72	10.41	-42.12
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)=C1	REAL300005422681	0	56	0.0	-79.53	429.76	13.05	-66.48
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C=C1	REAL300005422687	0	57	0.0	-87.18	432.58	12.09	-75.09
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422817	0	50	0.0	-71.83	373.93	10.85	-60.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)CC1	REAL300005422821	0	56	0.0	-73.36	394.45	11.61	-61.75
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])CC(C4=CC=CC=C4)C3)=CN21	REAL300005422824	0	48	0.0	-61.34	376.54	12.09	-49.25
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422883	0	59	0.0	-52.69	421.89	12.84	-39.85
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422883	1	59	0.0	-50.49	421.63	12.64	-37.85
CC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422884	0	53	0.0	-60.32	386.51	11.28	-49.04
CC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422884	1	53	0.0	-52.28	381.76	11.33	-40.95
C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422889	0	50	0.0	-53.97	364.80	10.65	-43.32
C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422889	1	50	0.0	-64.21	365.30	10.73	-53.48
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)O1	REAL300005422891	1	50	0.0	-81.21	391.27	10.79	-70.42
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422897	0	59	0.0	-74.45	406.15	11.71	-62.74
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C1	REAL300005422897	1	59	0.0	-54.36	407.50	11.19	-43.17
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300005422900	1	52	0.0	-47.24	385.22	11.69	-35.55
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)=N1	REAL300005424177	0	52	0.0	-77.79	396.55	8.20	-69.59
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)=N1	REAL300005424197	0	49	0.0	-70.75	381.63	7.74	-63.01
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)=N1	REAL300005424197	1	49	0.0	-72.38	376.36	7.26	-65.12
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C4=NC(C)=C(C(=O)[O-])S4)CC3)CN21	REAL300005424201	1	50	0.0	-69.57	394.56	7.97	-61.60
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[NH+](C)C)CC2)=N1	REAL300005424247	0	41	0.0	-77.30	327.74	5.43	-71.87
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCCC[N@H+]3C)CC2)=N1	REAL300005424248	0	48	0.0	-72.69	368.04	7.00	-65.69
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCCC[N@@H+]3C)CC2)=N1	REAL300005424248	1	48	0.0	-76.32	360.01	6.69	-69.63
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C(C)N3CC[NH+](C)CC3)CC2)=N1	REAL300005424249	1	53	0.0	-77.24	403.64	5.33	-71.91
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)=N1	REAL300005424278	0	48	0.0	-73.00	367.30	6.95	-66.05
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)=N1	REAL300005424278	1	48	0.0	-76.65	360.34	6.66	-69.99
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)=N1	REAL300005424322	0	48	0.0	-79.69	370.98	6.95	-72.74
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)=N1	REAL300005424349	0	43	0.0	-79.10	362.51	8.79	-70.31
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)=N1	REAL300005424370	0	57	0.0	-81.14	402.53	8.84	-72.30
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)CC2)=N1	REAL300005424374	0	57	0.0	-79.01	426.14	9.09	-69.92
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2)=N1	REAL300005424374	1	57	0.0	-79.02	426.11	9.07	-69.95
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@H+]3C)CC2)=N1	REAL300005424385	0	45	0.0	-72.34	352.79	6.31	-66.03
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@@H+]3C)CC2)=N1	REAL300005424385	1	45	0.0	-75.51	346.36	5.97	-69.54
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)=N1	REAL300005424427	0	48	0.0	-79.69	370.98	6.95	-72.74
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424462	1	49	0.0	-73.39	398.67	8.37	-65.02
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)=N1	REAL300005424463	1	55	0.0	-80.08	425.97	7.05	-73.03
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@H](C)[NH+](C)C)CC2)=N1	REAL300005424469	0	44	0.0	-74.58	344.54	5.82	-68.76
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)=N1	REAL300005424470	0	45	0.0	-73.14	346.13	5.98	-67.16
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)=N1	REAL300005424470	1	45	0.0	-72.65	349.18	6.20	-66.45
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@@H](C)[NH+](C)C)CC2)=N1	REAL300005424474	0	44	0.0	-73.45	343.77	5.75	-67.70
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3([NH+](C)C)CC3)CC2)=N1	REAL300005424482	0	45	0.0	-78.06	349.92	6.09	-71.97
CCC(C(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](CC)CC	REAL300005424537	0	53	0.0	-72.44	388.60	7.82	-64.62
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CC=C(C[NH+](C)C)N=C3)CC2)=N1	REAL300005424556	0	50	0.0	-79.51	399.87	6.99	-72.52
CCC[NH+](CCC)CCCC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424559	0	59	0.0	-77.58	445.82	9.41	-68.17
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3C[N@H+](C)CCO3)CC2)=N1	REAL300005424560	1	46	0.0	-80.51	353.64	5.49	-75.02
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3C[N@@H+](C)CCO3)CC2)=N1	REAL300005424560	1	46	0.0	-74.05	353.23	5.48	-68.57
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CN3C=C[NH+]=C3C(C)C)CC2)=N1	REAL300005424569	1	49	0.0	-71.33	393.44	8.15	-63.18
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)=N1	REAL300005424578	0	48	0.0	-76.25	376.48	7.20	-69.05
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCCC[NH+](C)C)CC2)=N1	REAL300005424583	0	50	0.0	-78.06	393.07	7.61	-70.45
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C(C(C)C)[NH+](C)C)CC2)=N1	REAL300005424592	0	50	0.0	-73.33	370.20	7.07	-66.26
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424609	1	47	0.0	-68.51	379.60	6.03	-62.48
CCC[N@H+](C)CC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424616	0	47	0.0	-76.89	366.96	6.85	-70.04
CCC[N@@H+](C)CC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424616	1	47	0.0	-76.93	366.96	6.84	-70.09
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)=N1	REAL300005424635	0	48	0.0	-74.57	373.88	7.41	-67.16
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)=N1	REAL300005424635	1	48	0.0	-74.57	373.93	7.40	-67.17
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C(C)[NH+]3CCSCC3)CC2)=N1	REAL300005424647	1	49	0.0	-75.86	384.92	7.35	-68.51
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)=N1	REAL300005424648	0	53	0.0	-76.58	395.56	7.84	-68.74
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)=N1	REAL300005424648	1	53	0.0	-76.61	397.51	7.99	-68.62
CC[C@@H](C(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](C)C	REAL300005424652	0	47	0.0	-72.94	353.02	6.28	-66.66
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CC3(O)CCC[N@@H+](C)C3)CC2)=N1	REAL300005424654	0	52	0.0	-75.17	395.19	5.92	-69.25
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CC3(O)CCC[N@H+](C)C3)CC2)=N1	REAL300005424654	1	52	0.0	-75.88	385.47	5.73	-70.15
CCCCCC[N@H+](C)CC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424674	0	56	0.0	-77.95	431.46	9.19	-68.76
CCCCCC[N@@H+](C)CC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424674	1	56	0.0	-78.06	431.45	9.19	-68.87
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)=N1	REAL300005424681	0	49	0.0	-74.90	359.11	6.87	-68.03
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)=N1	REAL300005424689	1	43	0.0	-78.98	362.35	8.80	-70.18
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[N@@H+](C)C3CCSC3)CC2)=N1	REAL300005424696	0	49	0.0	-82.78	387.18	7.64	-75.14
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[N@H+](C)C3CCSC3)CC2)=N1	REAL300005424696	1	49	0.0	-82.23	387.02	7.68	-74.55
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCCC4CCC[N@@H+]43)CC2)=N1	REAL300005424711	0	52	0.0	-68.67	392.51	8.15	-60.52
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCCC4CCC[N@H+]43)CC2)=N1	REAL300005424711	1	52	0.0	-68.08	392.42	8.14	-59.94
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CN(CC[NH+](C)C)N=C3)CC2)=N1	REAL300005424712	0	51	0.0	-81.87	408.84	6.58	-75.29
CCCC(C(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](C)C	REAL300005424733	0	50	0.0	-74.21	379.91	7.24	-66.97
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=NN(CC[NH+](C)C)C=C3)CC2)=N1	REAL300005424742	0	51	0.0	-84.96	409.48	7.24	-77.72
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CC=NN3CC[NH+](C)C)CC2)=N1	REAL300005424743	0	51	0.0	-71.02	403.55	6.63	-64.39
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)=N1	REAL300005424745	0	48	0.0	-79.18	363.04	6.92	-72.26
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)=N1	REAL300005424745	1	48	0.0	-79.54	369.79	6.70	-72.84
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424747	1	52	0.0	-70.67	413.68	8.70	-61.97
CC[C@@H]1[C@@H](C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC[N@@H+]1C	REAL300005424749	0	51	0.0	-78.13	381.50	6.99	-71.14
CC[C@@H]1[C@@H](C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC[N@H+]1C	REAL300005424749	1	51	0.0	-77.79	386.61	7.29	-70.50
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424751	1	47	0.0	-72.31	372.88	7.17	-65.14
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424751	1	47	0.0	-74.27	379.51	7.60	-66.67
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3C[N@@H+](C)CC(C)O3)CC2)=N1	REAL300005424754	1	49	0.0	-85.93	375.06	6.39	-79.54
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3C[N@H+](C)CC(C)O3)CC2)=N1	REAL300005424754	1	49	0.0	-87.27	374.48	5.98	-81.29
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)=N1	REAL300005424760	0	45	0.0	-75.86	351.89	6.53	-69.33
CC1=[NH+]C=CN1CC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424762	1	43	0.0	-72.98	357.09	7.01	-65.97
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C(C)C[NH+]3CCOCC3)CC2)=N1	REAL300005424764	0	52	0.0	-80.72	399.72	6.07	-74.65
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)=N1	REAL300005424783	0	51	0.0	-77.17	390.64	7.92	-69.25
CC[N@@H+]1CCOC(C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300005424791	1	49	0.0	-81.10	378.98	6.34	-74.76
CC[N@H+]1CCOC(C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300005424791	1	49	0.0	-78.60	371.58	6.15	-72.45
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCC3CCC[N@H+]3C)CC2)=N1	REAL300005424817	0	51	0.0	-79.80	395.10	7.96	-71.84
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCC3CCC[N@@H+]3C)CC2)=N1	REAL300005424817	1	51	0.0	-75.88	389.66	7.49	-68.39
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)=N1	REAL300005424825	0	52	0.0	-84.30	375.62	7.11	-77.19
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3(C)CC(O)C[N@H+]3C)CC2)=N1	REAL300005424827	0	49	0.0	-77.21	368.32	3.18	-74.03
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3(C)CC(O)C[N@@H+]3C)CC2)=N1	REAL300005424827	1	49	0.0	-77.63	366.29	3.09	-74.54
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)=N1	REAL300005424828	0	52	0.0	-72.37	387.43	7.87	-64.50
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC4CCCC[N@H+]43)CC2)=N1	REAL300005424828	1	52	0.0	-70.82	392.14	8.20	-62.62
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC2)=N1	REAL300005424832	0	55	0.0	-75.65	398.57	5.92	-69.73
CC[NH+](CC)CC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424843	0	47	0.0	-74.94	359.29	6.49	-68.45
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)=N1	REAL300005424845	0	54	0.0	-77.87	402.40	7.96	-69.91
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)=N1	REAL300005424908	0	46	0.0	-78.22	351.73	5.67	-72.55
CCC(C(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](C)C	REAL300005424911	0	47	0.0	-73.76	357.49	6.45	-67.31
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)=N1	REAL300005424918	0	49	0.0	-76.96	361.53	6.29	-70.67
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)=N1	REAL300005424918	1	49	0.0	-76.02	361.62	6.31	-69.71
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[NH+]3C(C)CCC3C)CC2)=N1	REAL300005424948	0	51	0.0	-72.65	384.76	7.44	-65.21
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CC=CC(C[NH+](C)C)=C3)CC2)=N1	REAL300005424949	0	51	0.0	-83.73	406.09	8.62	-75.11
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)=N1	REAL300005424976	0	48	0.0	-74.54	352.93	6.39	-68.15
C#CC[NH+]1CCC(C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300005424993	0	50	0.0	-82.81	396.91	8.20	-74.61
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424994	0	54	0.0	-72.12	396.21	7.87	-64.25
CCC[N@H+]1CCCCC1C(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300005424994	1	54	0.0	-70.87	407.58	8.43	-62.44
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CC=CC=C3C[NH+](C)C)CC2)=N1	REAL300005424995	0	51	0.0	-73.08	402.80	8.62	-64.46
CC[NH+]1CCN(CCC(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300005424996	0	56	0.0	-76.06	426.34	6.16	-69.90
CCN1CC[NH+](CCC(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300005424996	1	56	0.0	-79.11	426.30	6.13	-72.98
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)=N1	REAL300005424997	0	47	0.0	-74.33	362.11	6.61	-67.72
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)=N1	REAL300005424997	1	47	0.0	-74.32	362.15	6.63	-67.69
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C(C(C)C)[NH+]3CCCCC3)CC2)=N1	REAL300005424998	0	57	0.0	-70.45	411.98	8.83	-61.62
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C(C3=CC=CC=C3)[NH+](C)C)CC2)=N1	REAL300005424999	1	51	0.0	-71.30	395.89	8.62	-62.68
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCN3C=C[NH+]=C3C(C)C)CC2)=N1	REAL300005425003	1	52	0.0	-70.24	413.15	8.62	-61.62
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)=N1	REAL300005425008	0	55	0.0	-71.77	411.34	8.75	-63.02
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)=N1	REAL300005425008	1	55	0.0	-71.44	411.00	8.73	-62.71
CC[N@H+](CC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1)C1CC1	REAL300005425010	0	48	0.0	-72.67	376.33	7.46	-65.21
CC[N@@H+](CC(=O)N1CCN(C2=NC(C)=C(C(=O)[O-])S2)CC1)C1CC1	REAL300005425010	1	48	0.0	-73.58	374.09	7.41	-66.17
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C(C)[NH+]3CCCCCC3)CC2)=N1	REAL300005425023	0	54	0.0	-71.49	392.35	7.79	-63.70
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)=N1	REAL300005425026	0	45	0.0	-73.24	347.90	6.18	-67.06
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)=N1	REAL300005425026	1	45	0.0	-75.30	346.13	5.94	-69.36
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[NH2+]C(C)(C)C)CC2)=N1	REAL300005425072	0	47	0.0	-75.69	366.68	5.16	-70.53
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)=N1	REAL300005425073	0	54	0.0	-76.82	418.32	8.75	-68.07
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[N@@H+](C)CC3=CC=CC=C3)CC2)=N1	REAL300005425075	1	51	0.0	-81.08	404.39	9.03	-72.05
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[N@H+](C)CC3=CC=CC=C3)CC2)=N1	REAL300005425075	1	51	0.0	-81.16	404.40	9.00	-72.16
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)=N1	REAL300005425082	0	50	0.0	-75.14	367.53	7.11	-68.03
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)=N1	REAL300005425095	1	46	0.0	-80.63	384.71	6.55	-74.08
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=NOC(C[NH+](C)C)=C3)CC2)=N1	REAL300005425106	1	47	0.0	-82.01	383.94	6.77	-75.24
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@H+]3C(C)C)CC2)=N1	REAL300005425115	0	51	0.0	-71.15	375.48	7.70	-63.45
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@@H+]3C(C)C)CC2)=N1	REAL300005425115	1	51	0.0	-73.20	377.51	7.63	-65.57
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)=N1	REAL300005425130	0	52	0.0	-81.16	407.61	7.59	-73.57
CCC[N@@H+]1CCCC(C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300005425239	0	54	0.0	-70.44	401.82	8.40	-62.04
CCC[N@H+]1CCCC(C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300005425239	1	54	0.0	-76.37	410.93	8.36	-68.01
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@H+]3CC(C)C)CC2)=N1	REAL300005425257	0	54	0.0	-72.59	393.36	8.49	-64.10
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@@H+]3CC(C)C)CC2)=N1	REAL300005425257	1	54	0.0	-73.30	394.55	8.38	-64.92
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)=N1	REAL300005425258	0	52	0.0	-78.37	401.47	4.61	-73.76
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@@H+](C(C)C)C3)CC2)=N1	REAL300005425404	0	54	0.0	-69.58	396.99	8.19	-61.39
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@H+](C(C)C)C3)CC2)=N1	REAL300005425404	1	54	0.0	-73.82	406.11	8.13	-65.69
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCC3=[NH+]C(C)=C(C)N3)CC2)=N1	REAL300005425422	1	49	0.0	-71.20	397.93	6.75	-64.45
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@H]3C[C@H]([NH+](C)C)C3)CC2)=N1	REAL300005425802	0	48	0.0	-75.41	376.65	7.13	-68.28
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)[C@H]3CC[C@@H]([NH+](C)C)CC3)CC2)=N1	REAL300005425806	0	54	0.0	-73.68	396.48	7.88	-65.80
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@@H+](CC(C)C)C3)CC2)=N1	REAL300005425846	0	57	0.0	-70.92	419.30	9.11	-61.81
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@H+](CC(C)C)C3)CC2)=N1	REAL300005425846	1	57	0.0	-70.92	419.30	9.11	-61.81
CC[N@@H+]1CCCC(C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300005425847	0	51	0.0	-71.27	381.39	7.76	-63.51
CC[N@H+]1CCCC(C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300005425847	1	51	0.0	-71.27	381.39	7.76	-63.51
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@@H+](C)C3)CC2)=N1	REAL300005425852	0	48	0.0	-72.19	362.35	6.84	-65.35
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3CCC[N@H+](C)C3)CC2)=N1	REAL300005425852	1	48	0.0	-72.19	362.35	6.84	-65.35
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CC=C(CN(C)C)O3)CC2)=N1	REAL300005425854	0	48	0.0	-81.07	389.38	7.30	-73.77
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CC=C(C[NH+](C)C)O3)CC2)=N1	REAL300005425854	1	48	0.0	-81.07	389.38	7.30	-73.77
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C(C)(C)C3CCC[N@@H+](C)C3)CC2)=N1	REAL300005425860	0	57	0.0	-78.46	400.82	7.53	-70.93
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C(C)(C)C3CCC[N@H+](C)C3)CC2)=N1	REAL300005425860	1	57	0.0	-78.46	400.82	7.53	-70.93
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2)=N1	REAL300005425863	0	50	0.0	-73.02	380.31	8.78	-64.24
C=CCN(CC(=C)Br)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005426291	1	41	0.0	-47.63	336.98	9.19	-38.44
C=CCN(CC(=C)Br)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005426291	1	41	0.0	-46.07	330.24	8.79	-37.28
CCCOC1=CC=C2NC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300005426417	0	57	0.0	-52.47	436.80	9.24	-43.23
CCCOC1=CC=C2NC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300005426417	1	57	0.0	-49.94	434.90	8.79	-41.15
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC2C2CCOCC2)C1	REAL300005426525	0	52	0.0	-46.80	354.81	5.61	-41.19
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC2C2CCOCC2)C1	REAL300005426525	1	52	0.0	-48.59	355.05	5.96	-42.63
C[C@@H](C1=CC=CC=C1Cl)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005426628	0	46	0.0	-49.53	357.37	10.24	-39.29
C[C@@H](C1=CC=CC=C1Cl)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005426628	1	46	0.0	-46.51	360.92	10.22	-36.29
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=CC=CC=C3OC3(CCOC3)C2)C1	REAL300005426744	0	53	0.0	-47.30	383.23	8.06	-39.24
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC=C3OC3(CCOC3)C2)C1	REAL300005426744	1	53	0.0	-51.21	390.61	8.52	-42.69
CCC1=CC=CC=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005426873	0	49	0.0	-49.76	366.14	9.29	-40.47
CCC1=CC=CC=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005426873	1	49	0.0	-49.99	372.37	9.31	-40.68
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C2)=N1	REAL300005428069	0	53	0.0	-79.74	415.00	10.37	-69.37
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C2)=N1	REAL300005428069	1	53	0.0	-81.83	415.03	10.36	-71.47
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)=N1	REAL300005428723	0	50	0.0	-85.87	391.75	9.23	-76.64
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)=N1	REAL300005428747	0	47	0.0	-78.61	372.38	8.56	-70.05
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCC[N@H+]3C3CC3)C2)=N1	REAL300005428747	1	47	0.0	-78.65	367.41	8.43	-70.22
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C4=NC(C(=O)[O-])=CS4)C3)CN21	REAL300005428753	1	48	0.0	-81.03	387.60	8.88	-72.15
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005428820	0	46	0.0	-85.58	351.15	7.48	-78.10
C[N@H+]1CCCCC1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005428820	1	46	0.0	-80.78	358.26	7.79	-72.99
CC(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)N1CC[NH+](C)CC1	REAL300005428821	1	51	0.0	-82.31	385.83	5.79	-76.52
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005428856	0	46	0.0	-80.06	358.93	7.84	-72.22
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005428856	1	46	0.0	-79.75	347.92	7.30	-72.45
C[NH+]1CCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005428920	0	46	0.0	-91.00	362.45	7.83	-83.17
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)=N1	REAL300005428950	0	41	0.0	-84.96	353.24	9.62	-75.34
C[NH+](C)CC1(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CCCCC1	REAL300005428979	0	55	0.0	-93.92	393.48	9.67	-84.25
C[N@H+](CCC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1CCCCC1	REAL300005428984	0	55	0.0	-87.20	416.92	9.89	-77.31
C[N@@H+](CCC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1CCCCC1	REAL300005428984	1	55	0.0	-87.51	416.92	9.90	-77.61
C[N@@H+]1CCCC1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005428998	0	43	0.0	-84.60	337.43	6.79	-77.81
C[N@H+]1CCCC1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005428998	1	43	0.0	-80.56	343.18	7.11	-73.45
C[NH+]1CCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429049	0	46	0.0	-91.00	362.45	7.83	-83.17
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C2)=N1	REAL300005429063	0	56	0.0	-79.08	407.92	9.88	-69.20
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCCC[N@H+]3C3CCCC3)C2)=N1	REAL300005429063	1	56	0.0	-78.35	412.94	9.94	-68.41
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429094	1	47	0.0	-81.98	389.48	9.21	-72.77
O=C([O-])C1=CSC(C2CCCN(C(=O)CCCC[NH+]3CCOCC3)C2)=N1	REAL300005429095	1	53	0.0	-89.52	416.77	7.90	-81.62
C[C@@H](C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300005429101	0	42	0.0	-82.53	334.11	6.58	-75.95
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429102	0	43	0.0	-84.83	337.42	6.77	-78.06
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429102	1	43	0.0	-80.04	341.23	7.10	-72.94
C[C@H](C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300005429106	0	42	0.0	-82.68	334.81	6.59	-76.09
C[NH+](C)C1(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429114	0	43	0.0	-84.81	342.82	6.90	-77.91
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C2)=N1	REAL300005429155	0	53	0.0	-86.30	420.70	10.61	-75.69
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C2)=N1	REAL300005429155	1	53	0.0	-85.32	418.83	10.54	-74.78
CCC(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+](CC)CC	REAL300005429179	0	51	0.0	-76.28	378.72	8.43	-67.85
CC(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300005429181	0	52	0.0	-84.58	411.61	10.22	-74.36
CC(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005429181	1	52	0.0	-82.55	410.94	10.16	-72.39
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C=N1	REAL300005429200	0	48	0.0	-71.48	392.10	7.97	-63.51
CCC[NH+](CCC)CCCC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429205	0	57	0.0	-85.61	441.07	10.53	-75.08
CC[N@H+](C)C(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1=CC=CC=C1	REAL300005429206	0	52	0.0	-77.24	405.91	10.17	-67.07
CC[N@@H+](C)C(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1=CC=CC=C1	REAL300005429206	1	52	0.0	-81.30	407.49	10.12	-71.18
C[N@@H+]1CCOC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005429207	1	44	0.0	-79.19	352.27	6.53	-72.66
C[N@H+]1CCOC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005429207	1	44	0.0	-76.52	352.05	6.52	-70.00
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429218	1	47	0.0	-78.60	384.29	8.98	-69.62
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C2)=N1	REAL300005429226	0	53	0.0	-94.14	421.01	10.54	-83.60
C[NH+](C)CC1(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429234	0	46	0.0	-88.37	365.61	7.72	-80.65
C[NH+](C)CCCCC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429240	0	48	0.0	-87.63	383.85	8.42	-79.21
CC(C)C(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300005429248	0	48	0.0	-81.28	359.09	7.64	-73.64
CC1=C(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300005429256	1	47	0.0	-90.85	394.01	7.81	-83.04
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C2)=N1	REAL300005429268	1	49	0.0	-89.64	400.03	8.71	-80.93
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C=C1	REAL300005429269	0	52	0.0	-95.85	419.57	10.31	-85.54
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429278	1	45	0.0	-76.99	370.50	6.84	-70.15
CCC[N@H+](C)CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429285	0	45	0.0	-83.74	357.70	7.66	-76.08
CCC[N@@H+](C)CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429285	1	45	0.0	-83.61	357.71	7.65	-75.96
C[N@H+](CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1CCC1	REAL300005429306	0	46	0.0	-81.22	364.61	8.23	-72.99
C[N@@H+](CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1CCC1	REAL300005429306	1	46	0.0	-80.76	364.63	8.22	-72.54
CC(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+]1CCSCC1	REAL300005429325	1	47	0.0	-82.37	375.53	8.19	-74.18
C[N@H+](CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)CC(C)(C)C	REAL300005429327	0	51	0.0	-83.74	386.32	8.64	-75.10
C[N@@H+](CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)CC(C)(C)C	REAL300005429327	1	51	0.0	-83.24	388.25	8.79	-74.45
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429329	0	52	0.0	-86.84	417.61	10.68	-76.16
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429329	1	52	0.0	-87.00	417.62	10.68	-76.32
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429330	0	56	0.0	-86.06	446.64	6.94	-79.12
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429330	1	56	0.0	-88.28	446.69	6.94	-81.34
CC[C@@H](C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300005429333	0	45	0.0	-79.88	346.45	7.29	-72.59
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005429335	0	50	0.0	-83.65	385.93	6.72	-76.93
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005429335	1	50	0.0	-84.37	376.22	6.56	-77.81
CCCCCC[N@H+](C)CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429355	0	54	0.0	-84.92	422.20	9.99	-74.93
CCCCCC[N@@H+](C)CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429355	1	54	0.0	-84.73	422.21	10.00	-74.73
O=C([O-])C1=CSC(C2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)=N1	REAL300005429366	0	47	0.0	-77.92	354.96	7.54	-70.38
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)=N1	REAL300005429374	1	41	0.0	-88.60	353.39	9.66	-78.94
C[N@H+](CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1CCSC1	REAL300005429384	0	47	0.0	-89.56	379.24	8.47	-81.09
C[N@@H+](CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1CCSC1	REAL300005429384	1	47	0.0	-89.28	377.81	8.46	-80.82
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429400	0	57	0.0	-85.64	433.86	7.47	-78.17
CC(C)N1CC[NH+](CCC(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429400	1	57	0.0	-87.05	430.36	7.28	-79.77
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)=N1	REAL300005429401	0	50	0.0	-80.16	371.10	8.34	-71.82
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCCC4CCC[N@H+]43)C2)=N1	REAL300005429401	1	50	0.0	-86.49	369.73	8.70	-77.79
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C=N1	REAL300005429402	0	49	0.0	-101.16	401.04	7.47	-93.69
CC(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005429415	1	53	0.0	-85.38	412.75	10.58	-74.80
CC(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005429415	1	53	0.0	-84.29	411.78	10.55	-73.74
CCCC(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300005429432	0	48	0.0	-81.57	368.35	7.96	-73.61
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)=N1	REAL300005429446	0	49	0.0	-100.15	400.13	8.06	-92.09
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429447	0	49	0.0	-75.02	395.19	7.47	-67.55
C[C@@H]1[C@H](C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC[N@@H+]1C	REAL300005429450	0	46	0.0	-85.52	352.00	7.52	-78.00
C[C@@H]1[C@H](C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC[N@H+]1C	REAL300005429450	1	46	0.0	-86.66	358.74	7.78	-78.88
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429452	1	50	0.0	-79.62	404.43	9.51	-70.11
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC[N@@H+]1C	REAL300005429455	0	49	0.0	-85.20	375.51	7.87	-77.33
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC[N@H+]1C	REAL300005429455	1	49	0.0	-85.16	375.87	8.08	-77.08
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)=NN1	REAL300005429457	1	50	0.0	-77.74	401.44	7.64	-70.10
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)=NN1	REAL300005429457	1	50	0.0	-77.86	401.79	7.61	-70.25
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429458	1	45	0.0	-78.34	363.64	8.01	-70.33
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429458	1	45	0.0	-80.98	367.03	8.36	-72.62
CC1C[N@H+](C)CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)O1	REAL300005429464	1	47	0.0	-101.18	365.31	6.81	-94.37
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)O1	REAL300005429464	1	47	0.0	-76.62	366.01	6.84	-69.78
O=C([O-])C1=CSC(C2CCCN(C(=O)C[NH+]3CCCC3)C2)=N1	REAL300005429470	0	43	0.0	-82.84	342.64	7.35	-75.49
CC1=[NH+]C=CN1CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429472	1	41	0.0	-80.38	346.87	7.81	-72.57
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429474	0	50	0.0	-86.76	387.42	6.77	-79.99
CC1CC[NH+](CC(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429493	0	49	0.0	-84.30	381.10	8.74	-75.56
CC[N@@H+]1CCOC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005429504	1	47	0.0	-74.78	362.34	6.98	-67.80
CC[N@H+]1CCOC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005429504	1	47	0.0	-90.30	362.24	6.97	-83.33
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C2)=N1	REAL300005429537	0	56	0.0	-86.14	421.37	10.05	-76.09
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C2)=N1	REAL300005429537	1	56	0.0	-86.53	421.84	10.05	-76.48
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429542	0	49	0.0	-90.20	385.90	8.80	-81.40
C[N@H+]1CCCC1CCC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429542	1	49	0.0	-88.05	382.39	8.61	-79.44
O=C([O-])C1=CSC(C2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)=N1	REAL300005429554	0	50	0.0	-97.56	364.92	7.86	-89.70
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429556	0	47	0.0	-81.56	359.52	3.66	-77.90
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429556	1	47	0.0	-78.30	357.20	3.47	-74.83
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)=N1	REAL300005429557	0	50	0.0	-78.60	382.42	9.02	-69.58
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCC4CCCC[N@H+]43)C2)=N1	REAL300005429557	1	50	0.0	-78.86	378.08	8.75	-70.11
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429564	0	53	0.0	-85.08	390.26	6.83	-78.25
CC[NH+](CC)CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429579	0	45	0.0	-81.43	354.50	7.61	-73.82
CC(C)[NH+]1CCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429581	0	52	0.0	-86.27	396.88	9.02	-77.25
O=C([O-])C1=CSC(C2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)=N1	REAL300005429658	0	44	0.0	-69.31	342.63	6.50	-62.81
CCC(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300005429661	0	45	0.0	-82.73	346.28	7.21	-75.52
O=C([O-])C1=CSC(C2CCCN(C(=O)C34CC[N@H+](C3)CCC4)C2)=N1	REAL300005429669	0	47	0.0	-97.00	349.95	6.99	-90.01
O=C([O-])C1=CSC(C2CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)=N1	REAL300005429669	1	47	0.0	-85.24	352.46	7.12	-78.12
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429713	0	49	0.0	-80.08	375.65	8.26	-71.82
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300005429714	0	49	0.0	-85.36	397.12	9.45	-75.91
C[NH+](C)C1(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CCC1	REAL300005429747	0	46	0.0	-84.62	343.27	7.22	-77.40
C#CC[NH+]1CCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429770	0	48	0.0	-90.58	386.72	8.96	-81.62
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429772	0	52	0.0	-79.25	387.11	8.69	-70.56
CCC[N@H+]1CCCCC1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429772	1	52	0.0	-84.01	390.41	8.87	-75.14
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429773	0	49	0.0	-70.01	390.30	9.38	-60.63
CC[NH+]1CCN(CCC(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429775	0	54	0.0	-87.14	416.62	6.91	-80.23
CCN1CC[NH+](CCC(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429775	1	54	0.0	-87.06	417.12	6.96	-80.10
CC(C)[N@H+](C)CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429776	0	45	0.0	-81.12	352.90	7.44	-73.68
CC(C)[N@@H+](C)CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429776	1	45	0.0	-80.67	352.89	7.44	-73.23
CC(C)C(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+]1CCCCC1	REAL300005429777	0	55	0.0	-77.97	402.89	9.67	-68.30
C[NH+](C)C(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1=CC=CC=C1	REAL300005429778	1	49	0.0	-77.75	386.67	9.46	-68.29
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429785	1	50	0.0	-78.66	403.92	9.46	-69.20
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)=N1	REAL300005429791	0	53	0.0	-82.12	389.35	9.53	-72.59
O=C([O-])C1=CSC(C2CCCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)=N1	REAL300005429791	1	53	0.0	-82.18	387.84	9.50	-72.68
CC[N@H+](CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1CC1	REAL300005429793	0	46	0.0	-79.81	367.11	8.28	-71.53
CC[N@@H+](CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)C1CC1	REAL300005429793	1	46	0.0	-82.50	359.85	8.16	-74.34
CC(C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+]1CCCCCC1	REAL300005429814	0	52	0.0	-78.61	383.12	8.59	-70.02
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429817	0	43	0.0	-79.26	340.35	7.02	-72.24
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429817	1	43	0.0	-81.40	337.19	6.78	-74.62
CC(C)(C)[NH2+]CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429880	0	45	0.0	-82.14	357.46	5.98	-76.16
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)O1	REAL300005429881	0	52	0.0	-64.12	415.17	9.36	-54.76
O=C([O-])C1=CSC(C2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)=N1	REAL300005429882	0	52	0.0	-86.09	409.84	9.62	-76.47
C[N@H+](CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)CC1=CC=CC=C1	REAL300005429884	1	49	0.0	-88.62	395.13	9.83	-78.79
C[N@@H+](CC(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)CC1=CC=CC=C1	REAL300005429884	1	49	0.0	-88.35	395.18	9.83	-78.52
CC(C)[C@@H](C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300005429892	0	48	0.0	-79.72	361.79	7.75	-71.97
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)=N1	REAL300005429910	1	44	0.0	-90.33	375.00	7.36	-82.97
C[NH+](C)CC1=CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)=NO1	REAL300005429928	1	45	0.0	-91.13	373.55	7.52	-83.61
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429941	0	49	0.0	-78.98	373.86	8.17	-70.81
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005429941	1	49	0.0	-80.53	365.73	8.33	-72.20
C[NH+]1CCC(OCC(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005429960	0	50	0.0	-92.44	398.44	8.41	-84.03
CCC[N@@H+]1CCCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430104	0	52	0.0	-66.29	392.55	9.30	-56.99
CCC[N@H+]1CCCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430104	1	52	0.0	-83.28	400.76	9.13	-74.15
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005430127	0	52	0.0	-80.12	398.69	9.15	-70.97
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(C2=NC(C(=O)[O-])=CS2)C1	REAL300005430127	1	52	0.0	-79.58	395.97	8.88	-70.70
O=C([O-])C1=CSC(C2CCCN(C(=O)C[NH+]3CCC(CO)CC3)C2)=N1	REAL300005430128	0	50	0.0	-84.95	391.93	5.43	-79.52
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430312	0	52	0.0	-86.02	387.90	8.84	-77.18
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430312	1	52	0.0	-78.18	386.08	8.80	-69.38
C[N@@H+]1CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C(C(F)(F)F)C1	REAL300005430313	0	46	0.0	-91.64	378.53	7.77	-83.87
C[N@H+]1CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C(C(F)(F)F)C1	REAL300005430313	1	46	0.0	-91.99	377.55	7.75	-84.24
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)N1	REAL300005430336	1	47	0.0	-79.63	389.66	7.62	-72.01
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300005430725	0	52	0.0	-86.21	419.62	10.29	-75.92
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430848	0	46	0.0	-83.71	367.47	7.99	-75.72
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300005430852	0	52	0.0	-73.38	387.21	8.70	-64.68
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(C4=NC(C(=O)[O-])=CS4)C3)=CN21	REAL300005430855	0	44	0.0	-81.08	374.38	9.37	-71.71
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430907	0	55	0.0	-87.53	418.79	9.88	-77.65
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430907	1	55	0.0	-83.57	419.10	9.87	-73.70
CC[N@@H+]1CCCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430908	0	49	0.0	-84.75	380.29	8.44	-76.31
CC[N@H+]1CCCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430908	1	49	0.0	-67.33	371.22	8.51	-58.82
C[N@@H+]1CCCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430913	0	46	0.0	-86.74	362.76	7.80	-78.94
C[N@H+]1CCCC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430913	1	46	0.0	-87.99	362.95	7.79	-80.20
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)O1	REAL300005430915	1	46	0.0	-70.39	379.81	7.98	-62.41
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430921	0	55	0.0	-99.36	393.54	8.30	-91.06
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C1	REAL300005430921	1	55	0.0	-87.98	399.71	8.89	-79.09
O=C([O-])C1=CSC(C2CCCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)=N1	REAL300005430924	1	48	0.0	-86.15	371.62	9.57	-76.58
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2CC[NH+](C3CC3)CC2)N=N1	REAL300005432113	0	56	0.0	-81.00	413.94	9.29	-71.71
CC1=[NH+]C=C2CCC(C(=O)N3CCCCC3CCN3C=C(C(=O)[O-])N=N3)CN21	REAL300005432135	1	54	0.0	-73.59	409.50	8.97	-64.62
C[NH+](C)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432179	0	45	0.0	-76.00	345.10	6.48	-69.52
CC(C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)N1CC[NH+](C)CC1	REAL300005432180	1	57	0.0	-79.06	419.18	6.35	-72.71
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432205	0	52	0.0	-73.06	384.83	7.99	-65.07
C[N@H+]1CCCC[C@H]1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432205	1	52	0.0	-78.55	377.52	7.72	-70.83
C[NH+]1CCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC1	REAL300005432241	0	52	0.0	-83.73	385.23	7.90	-75.83
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)N=N1	REAL300005432268	0	47	0.0	-80.13	372.70	9.63	-70.50
C[NH+](C)CC1(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CCCCC1	REAL300005432288	0	61	0.0	-86.26	419.14	9.87	-76.39
C[N@H+](CCC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)C1CCCCC1	REAL300005432291	0	61	0.0	-80.53	443.67	10.13	-70.40
C[N@@H+](CCC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)C1CCCCC1	REAL300005432291	1	61	0.0	-80.32	443.51	10.14	-70.18
C[N@@H+]1CCCC1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432301	0	49	0.0	-78.19	363.79	7.02	-71.17
C[N@H+]1CCCC1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432301	1	49	0.0	-76.30	363.94	7.02	-69.28
C[NH+]1CCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC1	REAL300005432340	0	52	0.0	-83.73	385.23	7.90	-75.83
CC1=[NH+]C=CN1CCCC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432372	1	53	0.0	-74.91	416.30	9.47	-65.44
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCCC[NH+]2CCOCC2)N=N1	REAL300005432373	1	59	0.0	-82.46	443.60	8.17	-74.29
C[C@@H](C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)[NH+](C)C	REAL300005432377	0	48	0.0	-75.33	359.45	6.82	-68.51
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432378	0	49	0.0	-78.21	363.76	7.02	-71.19
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432378	1	49	0.0	-73.07	367.37	7.37	-65.70
C[C@H](C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)[NH+](C)C	REAL300005432381	0	48	0.0	-74.20	359.40	6.81	-67.39
CCC(C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)[NH+](CC)CC	REAL300005432434	0	57	0.0	-68.92	404.09	8.59	-60.33
CC(C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)[N@H+](C)CC1=CC=CC=C1	REAL300005432436	0	58	0.0	-78.82	437.89	10.46	-68.36
CC(C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300005432436	1	58	0.0	-77.94	437.77	10.40	-67.54
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C=N1	REAL300005432449	0	54	0.0	-85.96	416.58	7.66	-78.30
CCC[NH+](CCC)CCCC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432451	0	63	0.0	-77.93	467.31	10.75	-67.18
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432460	1	53	0.0	-70.36	410.80	9.20	-61.16
C[NH+](C)CC1(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC1	REAL300005432469	0	52	0.0	-76.08	394.08	8.06	-68.02
C[NH+](C)CCCCC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432473	0	54	0.0	-80.87	410.47	8.68	-72.19
C[NH+](C)CCC1=CC=C(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C=C1	REAL300005432492	0	58	0.0	-92.35	443.43	10.47	-81.88
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432496	1	51	0.0	-73.01	398.05	7.11	-65.90
CCC[N@H+](C)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432500	0	51	0.0	-75.98	384.56	7.92	-68.06
CCC[N@@H+](C)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432500	1	51	0.0	-76.34	384.58	7.88	-68.46
C[N@H+](CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)C1CCC1	REAL300005432512	0	52	0.0	-74.09	390.77	8.48	-65.61
C[N@@H+](CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)C1CCC1	REAL300005432512	1	52	0.0	-73.94	391.50	8.49	-65.45
CC(C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)[NH+]1CCSCC1	REAL300005432525	1	53	0.0	-76.96	396.30	8.15	-68.81
C[N@H+](CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)CC(C)(C)C	REAL300005432527	0	57	0.0	-76.67	412.70	8.90	-67.77
C[N@@H+](CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)CC(C)(C)C	REAL300005432527	1	57	0.0	-76.79	414.67	9.05	-67.74
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432529	0	58	0.0	-79.38	443.81	10.92	-68.46
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432529	1	58	0.0	-79.05	444.49	10.92	-68.13
CC[C@@H](C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)[NH+](C)C	REAL300005432531	0	51	0.0	-72.74	370.79	7.37	-65.37
C[N@@H+]1CCCC(O)(CC(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005432533	0	56	0.0	-71.47	405.26	6.53	-64.94
C[N@H+]1CCCC(O)(CC(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005432533	1	56	0.0	-77.47	403.04	6.63	-70.84
CCCCCC[N@H+](C)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432544	0	60	0.0	-77.27	449.05	10.25	-67.02
CCCCCC[N@@H+](C)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432544	1	60	0.0	-77.60	449.07	10.22	-67.38
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CC3=C[NH+]=CN3C=C2)N=N1	REAL300005432556	1	47	0.0	-86.92	372.92	9.64	-77.28
C[N@H+](CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)C1CCSC1	REAL300005432562	0	53	0.0	-80.91	404.68	8.75	-72.16
C[N@@H+](CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)C1CCSC1	REAL300005432562	1	53	0.0	-82.79	404.69	8.71	-74.08
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2CCCC3CCC[N@@H+]32)N=N1	REAL300005432576	0	56	0.0	-69.45	405.34	9.05	-60.40
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2CCCC3CCC[N@H+]32)N=N1	REAL300005432576	1	56	0.0	-70.04	409.23	9.15	-60.89
C[NH+](C)CCN1C=C(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C=N1	REAL300005432577	0	55	0.0	-86.02	425.56	7.63	-78.39
C[NH+](C)CCN1C=CC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)=N1	REAL300005432601	0	55	0.0	-97.89	426.67	8.28	-89.61
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432602	0	55	0.0	-69.15	421.98	7.69	-61.46
C[C@@H]1[C@H](C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC[N@@H+]1C	REAL300005432604	0	52	0.0	-82.64	380.89	7.50	-75.14
C[C@@H]1[C@H](C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC[N@H+]1C	REAL300005432604	1	52	0.0	-80.79	384.18	8.28	-72.51
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432605	1	56	0.0	-73.53	431.21	9.76	-63.77
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC[N@@H+]1C	REAL300005432608	0	55	0.0	-80.83	397.10	8.03	-72.80
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC[N@H+]1C	REAL300005432608	1	55	0.0	-78.35	402.59	8.34	-70.01
CC1C[N@H+](C)CC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)O1	REAL300005432613	1	53	0.0	-93.86	392.44	7.32	-86.54
CC1C[N@@H+](C)CC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)O1	REAL300005432613	1	53	0.0	-92.69	399.60	7.35	-85.34
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C[NH+]2CCCC2)N=N1	REAL300005432618	0	49	0.0	-75.73	370.73	7.63	-68.10
CC1=[NH+]C=CN1CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432620	1	47	0.0	-71.81	374.78	8.08	-63.73
CC(C[NH+]1CCOCC1)C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432622	1	56	0.0	-79.39	414.70	7.03	-72.36
CC1CC[NH+](CC(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC1	REAL300005432641	0	55	0.0	-77.42	407.90	8.98	-68.44
CC[N@@H+]1CCOC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005432652	1	53	0.0	-79.14	388.40	7.06	-72.08
CC[N@H+]1CCOC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005432652	1	53	0.0	-79.03	388.16	7.05	-71.98
C[N@@H+]1CCCC1CCC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432676	0	55	0.0	-83.72	412.13	9.05	-74.67
C[N@H+]1CCCC1CCC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432676	1	55	0.0	-75.90	406.27	8.55	-67.35
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2CCC3CCCC[N@@H+]32)N=N1	REAL300005432684	0	56	0.0	-73.65	404.81	8.94	-64.71
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2CCC3CCCC[N@H+]32)N=N1	REAL300005432684	1	56	0.0	-72.79	408.36	9.24	-63.55
CC[NH+](CC)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432698	0	51	0.0	-74.17	380.41	7.82	-66.35
CC(C)[NH+]1CCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC1	REAL300005432700	0	58	0.0	-81.13	415.88	8.86	-72.27
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C23CC[NH+](CC2)C3)N=N1	REAL300005432756	0	50	0.0	-81.58	369.49	6.74	-74.84
CCC(C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)[NH+](C)C	REAL300005432759	0	51	0.0	-73.88	375.48	7.57	-66.31
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C23CC[N@H+](C2)CCC3)N=N1	REAL300005432765	0	53	0.0	-79.81	378.00	7.33	-72.48
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C23CC[N@@H+](C2)CCC3)N=N1	REAL300005432765	1	53	0.0	-80.39	379.49	7.35	-73.04
CC1CCC(C)[NH+]1CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432793	0	55	0.0	-72.70	402.43	8.38	-64.32
C[NH+](C)CC1=CC=CC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)=C1	REAL300005432794	0	55	0.0	-80.41	422.72	9.64	-70.77
C#CC[NH+]1CCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC1	REAL300005432827	0	54	0.0	-83.96	412.85	9.17	-74.79
CC[NH+]1CCN(CCC(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC1	REAL300005432829	0	60	0.0	-81.25	443.93	7.22	-74.03
CCN1CC[NH+](CCC(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC1	REAL300005432829	1	60	0.0	-79.35	443.43	7.18	-72.17
CC(C)[N@H+](C)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432830	0	51	0.0	-73.77	379.77	7.67	-66.10
CC(C)[N@@H+](C)CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432830	1	51	0.0	-74.11	379.10	7.70	-66.41
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432834	1	56	0.0	-72.76	430.74	9.72	-63.04
CC[N@H+](CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)C1CC1	REAL300005432839	0	52	0.0	-72.59	393.90	8.52	-64.07
CC[N@@H+](CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)C1CC1	REAL300005432839	1	52	0.0	-73.95	391.56	8.45	-65.50
CC(C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)[NH+]1CCCCCC1	REAL300005432854	0	58	0.0	-71.85	411.33	8.86	-62.99
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432857	0	49	0.0	-72.83	366.73	7.33	-65.50
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432857	1	49	0.0	-78.63	363.67	7.02	-71.61
CC(C)(C)[NH2+]CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432902	0	51	0.0	-74.40	384.05	6.19	-68.21
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCCC[NH+]2CCCC2)N=N1	REAL300005432903	0	58	0.0	-79.18	436.43	9.85	-69.33
C[N@H+](CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)CC1=CC=CC=C1	REAL300005432905	1	55	0.0	-81.31	421.93	10.08	-71.23
C[N@@H+](CC(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1)CC1=CC=CC=C1	REAL300005432905	1	55	0.0	-82.00	421.39	10.08	-71.92
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)N=N1	REAL300005432923	1	50	0.0	-84.95	400.56	7.58	-77.37
C[NH+](C)CC1=CC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)=NO1	REAL300005432933	1	51	0.0	-85.87	400.38	7.78	-78.09
CC(C)[N@@H+]1CCCC1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432943	0	55	0.0	-75.42	395.00	8.63	-66.79
CC(C)[N@H+]1CCCC1C(=O)N1CCCCC1CCN1C=C(C(=O)[O-])N=N1	REAL300005432943	1	55	0.0	-72.45	399.90	8.38	-64.07
C[NH+]1CCC(OCC(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC1	REAL300005432957	0	56	0.0	-86.64	425.28	8.51	-78.13
CCC[N@@H+]1CCCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433051	0	58	0.0	-77.32	425.06	9.27	-68.05
CCC[N@H+]1CCCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433051	1	58	0.0	-77.13	426.70	9.34	-67.79
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C[NH+]2CCC(CO)CC2)N=N1	REAL300005433066	0	56	0.0	-77.56	418.74	5.67	-71.89
CC(C)[N@@H+]1CCCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433184	0	58	0.0	-76.13	420.22	9.05	-67.08
CC(C)[N@H+]1CCCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433184	1	58	0.0	-75.83	421.91	9.11	-66.72
CC1=C(C)[NH+]=C(CCC(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)N1	REAL300005433201	1	53	0.0	-72.98	415.34	7.83	-65.15
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)=C1	REAL300005433460	0	58	0.0	-83.60	443.33	10.45	-73.15
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433546	0	52	0.0	-78.12	394.51	8.22	-69.90
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)CC1	REAL300005433550	0	58	0.0	-72.88	413.39	8.93	-63.95
CC1=[NH+]C=C2C=CC(C(=O)N3CCCCC3CCN3C=C(C(=O)[O-])N=N3)=CN21	REAL300005433552	0	50	0.0	-77.50	395.74	9.42	-68.08
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433586	0	61	0.0	-69.86	435.99	10.21	-59.65
CC(C)C[N@H+]1CCCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433586	1	61	0.0	-70.55	436.61	10.16	-60.39
CC[N@@H+]1CCCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433587	0	55	0.0	-67.64	397.58	8.78	-58.86
CC[N@H+]1CCCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433587	1	55	0.0	-69.04	397.07	8.72	-60.32
C[N@@H+]1CCCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433592	0	52	0.0	-67.80	380.27	8.10	-59.70
C[N@H+]1CCCC(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C1	REAL300005433592	1	52	0.0	-77.82	386.27	7.90	-69.92
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)O1	REAL300005433594	1	52	0.0	-91.87	405.66	8.24	-83.63
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C23CC(C2)C[N@@H+]3C2CC2)N=N1	REAL300005433602	0	54	0.0	-80.41	403.21	9.00	-71.41
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C23CC(C2)C[N@H+]3C2CC2)N=N1	REAL300005433602	1	54	0.0	-79.74	399.69	9.28	-70.46
CC1CCC(C(=O)[O-])N(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005434663	0	53	0.0	-86.71	388.88	12.53	-74.18
CC1=[NH+]C=C2CCC(C(=O)N3CC(C)CCC3C(=O)[O-])CN12	REAL300005435951	1	45	0.0	-71.95	329.98	10.29	-61.66
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C)CCC3C(=O)[O-])CC2)=CS1	REAL300005436003	1	52	0.0	-85.98	394.06	10.13	-75.85
CC1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300005436065	0	56	0.0	-87.45	421.70	11.95	-75.50
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300005436071	0	56	0.0	-88.57	416.06	14.40	-74.17
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300005436071	1	56	0.0	-86.90	415.97	14.41	-72.49
CC1CCC(C(=O)[O-])N(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300005436139	0	52	0.0	-69.04	322.59	10.28	-58.76
CC1CCC(C(=O)[O-])N(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300005436141	0	52	0.0	-74.80	366.71	11.05	-63.75
CC1CCC(C(=O)[O-])N(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300005436141	1	52	0.0	-74.81	366.72	11.04	-63.77
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300005436200	0	46	0.0	-97.34	350.85	9.92	-87.42
CC1CCC(C(=O)[O-])N(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300005436219	0	54	0.0	-90.13	373.19	9.71	-80.42
CC1CCC(C(=O)[O-])N(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300005436243	1	50	0.0	-82.87	366.63	8.98	-73.89
CC[N@H+](CC1=CC=C(C(=O)N2CC(C)CCC2C(=O)[O-])C=C1)C(C)C	REAL300005436244	0	55	0.0	-81.16	385.45	11.82	-69.34
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C)CCC2C(=O)[O-])C=C1)C(C)C	REAL300005436244	1	55	0.0	-93.66	383.63	11.78	-81.88
CC1CCC(C(=O)[O-])N(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005436261	0	50	0.0	-74.60	363.71	11.93	-62.67
CC1CCC(C(=O)[O-])N(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005436261	1	50	0.0	-76.47	363.92	11.91	-64.56
CC1CCC(C(=O)[O-])N(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300005436262	0	51	0.0	-85.77	373.04	11.16	-74.61
CC1CCC(C(=O)[O-])N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300005436284	0	54	0.0	-75.78	365.13	9.00	-66.78
CC(C(=O)N1CC(C)CCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005436287	0	49	0.0	-36.76	353.45	10.42	-26.34
CC(C(=O)N1CC(C)CCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005436287	1	49	0.0	-58.53	355.44	11.07	-47.46
CC1CCC(C(=O)[O-])N(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300005436295	0	56	0.0	-59.24	388.26	13.14	-46.10
CC1CCC(C(=O)[O-])N(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300005436295	1	56	0.0	-60.89	397.53	13.40	-47.49
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300005436312	0	45	0.0	-91.84	334.96	9.25	-82.59
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CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C1	REAL300005436355	1	57	0.0	-98.19	415.61	11.75	-86.44
CC1CCC(C(=O)[O-])N(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005436364	1	54	0.0	-90.51	391.35	11.77	-78.74
CC1CCC(C(=O)[O-])N(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005436364	1	54	0.0	-86.57	402.62	11.58	-74.99
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CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300005436381	0	53	0.0	-96.29	386.94	12.44	-83.85
CC1CCC(C(=O)[O-])N(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300005436392	1	46	0.0	-83.52	349.09	9.67	-73.85
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300005436393	0	49	0.0	-100.61	363.90	11.75	-88.86
CC1CCC(C(=O)[O-])N(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005436397	1	51	0.0	-72.03	370.13	10.41	-61.62
CC1CCC(C(=O)[O-])N(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005436397	1	51	0.0	-90.49	373.03	10.97	-79.52
CC(C(=O)N1CC(C)CCC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005436406	0	59	0.0	-68.21	414.91	13.09	-55.12
CC(C(=O)N1CC(C)CCC1C(=O)[O-])[NH+]1CCSCC1	REAL300005436428	1	44	0.0	-63.97	318.20	8.78	-55.19
CC1CCC(C(=O)[O-])N(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300005436435	0	49	0.0	-66.38	367.50	11.66	-54.72
CC1CCC(C(=O)[O-])N(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300005436435	1	49	0.0	-66.26	367.51	11.67	-54.59
COCCOCC[N@H+](C)CCC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300005436436	0	53	0.0	-71.77	395.65	7.78	-63.99
COCCOCC[N@@H+](C)CCC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300005436436	1	53	0.0	-75.52	396.48	8.09	-67.43
CC1CCC(C(=O)[O-])N(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005436443	0	58	0.0	-80.57	422.66	11.53	-69.04
CC1CCC(C(=O)[O-])N(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300005436465	0	44	0.0	-66.79	327.73	9.49	-57.30
CC1CCC(C(=O)[O-])N(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300005436465	1	44	0.0	-67.36	327.86	9.46	-57.90
CC(C)[NH+]1CCN(CCC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300005436475	0	54	0.0	-81.16	379.15	8.84	-72.32
CC(C)N1CC[NH+](CCC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300005436475	1	54	0.0	-72.62	383.11	8.55	-64.07
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300005436476	0	57	0.0	-79.03	405.15	9.42	-69.61
CC(C)N1CC[NH+](CCCC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300005436476	1	57	0.0	-76.63	401.72	9.17	-67.46
CC1CCC(C(=O)[O-])N(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300005436478	0	46	0.0	-90.08	343.93	8.87	-81.21
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C)CCC3C(=O)[O-])CC2)=C1	REAL300005436481	0	58	0.0	-76.73	422.51	11.45	-65.28
CC1CCC(C(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005436483	0	55	0.0	-75.95	401.17	10.74	-65.21
CC1CCC(C(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300005436486	0	52	0.0	-69.82	374.21	10.41	-59.41
CC1CCC(C(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300005436486	1	52	0.0	-63.20	374.45	10.42	-52.78
CC(C(=O)N1CC(C)CCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005436491	1	50	0.0	-52.62	365.86	11.16	-41.46
CC(C(=O)N1CC(C)CCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005436491	1	50	0.0	-63.72	363.83	11.43	-52.29
CC1CCC(C(=O)[O-])N(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005436510	0	53	0.0	-80.83	391.93	12.46	-68.37
CC1CCC(C(=O)[O-])N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005436510	1	53	0.0	-82.40	393.76	12.63	-69.77
CC1CCC(C(=O)[O-])N(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300005436521	0	46	0.0	-103.02	349.87	9.17	-93.85
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300005436522	0	46	0.0	-57.59	345.17	8.24	-49.35
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300005436523	1	47	0.0	-68.89	354.41	10.49	-58.40
CC1CCC(C(=O)[O-])N(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1	REAL300005436526	1	47	0.0	-89.81	346.86	8.95	-80.86
CC1CCC(C(=O)[O-])N(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1	REAL300005436526	1	47	0.0	-90.81	346.42	9.00	-81.81
CC1CCC(C(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005436534	0	53	0.0	-72.21	383.47	12.91	-59.30
CC1CCC(C(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005436534	1	53	0.0	-61.79	385.99	12.34	-49.45
CC1CCC(C(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300005436538	0	54	0.0	-74.80	398.92	10.15	-64.65
CC1CCC(C(=O)[O-])N(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300005436574	0	53	0.0	-72.72	370.75	11.12	-61.60
CC1CCC(C(=O)[O-])N(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300005436574	1	53	0.0	-74.87	363.82	11.27	-63.60
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C1	REAL300005436599	0	55	0.0	-81.65	399.79	10.33	-71.32
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C1	REAL300005436600	0	55	0.0	-98.08	398.45	10.11	-87.97
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C1	REAL300005436600	1	55	0.0	-98.23	398.78	10.17	-88.06
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C)CCC2C(=O)[O-])C=C1	REAL300005436601	0	56	0.0	-95.70	402.31	11.83	-83.87
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300005436678	0	57	0.0	-101.59	413.96	10.03	-91.56
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300005436682	0	46	0.0	-86.99	341.08	10.91	-76.08
CC1CCC(C(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005436683	0	53	0.0	-72.85	389.48	12.46	-60.39
CC1CCC(C(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005436683	1	53	0.0	-64.23	380.23	12.46	-51.77
CC[NH+]1CCN(CCC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300005436724	0	51	0.0	-84.57	360.74	8.14	-76.43
CCN1CC[NH+](CCC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300005436724	1	51	0.0	-72.68	366.47	8.01	-64.67
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300005436730	1	47	0.0	-67.82	353.91	10.56	-57.26
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C1	REAL300005436777	1	51	0.0	-92.14	377.43	10.98	-81.16
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C1	REAL300005436777	1	51	0.0	-91.49	376.06	11.30	-80.19
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C)CCC2C(=O)[O-])O1	REAL300005436817	0	49	0.0	-88.04	363.89	10.32	-77.72
CC1=CC=C(N2CCC(C(=O)N3CC(C)CCC3C(=O)[O-])CC2)[NH+]=C1	REAL300005436818	1	52	0.0	-82.55	381.88	10.39	-72.16
CC1CCC(C(=O)[O-])N(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300005436819	1	46	0.0	-69.38	340.45	11.09	-58.29
CC1CCC(C(=O)[O-])N(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300005436819	1	46	0.0	-68.10	345.03	10.82	-57.28
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C)CCC3C(=O)[O-])C=C2)CC1	REAL300005436822	0	58	0.0	-95.66	408.78	11.24	-84.42
CC1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005436831	1	41	0.0	-86.51	320.60	8.86	-77.65
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)CCC1C(=O)[O-]	REAL300005436858	0	53	0.0	-80.17	390.21	12.28	-67.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)CCC1C(=O)[O-]	REAL300005436858	1	53	0.0	-55.83	391.99	11.67	-44.16
CC1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300005436875	0	54	0.0	-95.17	409.42	11.90	-83.27
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300005436889	0	50	0.0	-91.00	370.17	10.89	-80.11
CC1CCC(C(=O)[O-])N(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300005437183	0	43	0.0	-82.17	313.10	8.92	-73.25
CC1CCC(C(=O)[O-])N(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300005437183	1	43	0.0	-76.82	306.16	8.56	-68.26
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300005437523	0	49	0.0	-89.39	363.57	11.75	-77.64
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300005437528	0	50	0.0	-97.78	370.92	10.75	-87.03
CC1CCC(C(=O)[O-])N(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005437600	0	56	0.0	-78.70	407.98	13.26	-65.44
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C1	REAL300005437602	1	54	0.0	-100.86	396.60	10.81	-90.05
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C1	REAL300005437602	1	54	0.0	-100.19	381.25	10.82	-89.37
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C)CCC3C(=O)[O-])=CN21	REAL300005437626	0	41	0.0	-76.99	313.87	10.65	-66.34
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300005437663	0	52	0.0	-73.38	369.07	11.02	-62.36
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300005437663	1	52	0.0	-74.70	361.53	11.01	-63.69
CC(C1=CC=CC=C1)C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005438696	0	56	0.0	-75.27	423.32	12.19	-63.08
CC(C1=CC=CC=C1)C(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300005439979	0	50	0.0	-68.43	381.03	10.17	-58.26
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C(C)C3=CC=CC=C3)CN21	REAL300005440005	1	48	0.0	-62.34	379.93	10.06	-52.28
CC(C1=CC=CC=C1)C(NC(=O)C(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300005440072	1	51	0.0	-69.67	383.07	7.07	-62.60
CC(C1=CC=CC=C1)C(NC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[O-]	REAL300005440106	0	46	0.0	-55.57	342.90	8.67	-46.90
CC(C1=CC=CC=C1)C(NC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[O-]	REAL300005440106	1	46	0.0	-60.68	353.54	8.90	-51.78
CC(C1=CC=CC=C1)C(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005440146	0	59	0.0	-79.15	465.65	12.04	-67.11
CC(C1=CC=CC=C1)C(NC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300005440179	0	46	0.0	-72.23	346.84	8.63	-63.60
CC(C1=CC=CC=C1)C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300005440204	0	41	0.0	-70.72	332.39	10.48	-60.24
CC(C1=CC=CC=C1)C(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300005440233	0	55	0.0	-53.65	382.35	10.44	-43.21
CC(C1=CC=CC=C1)C(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005440237	0	55	0.0	-65.67	408.43	10.89	-54.78
CC(C1=CC=CC=C1)C(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005440237	1	55	0.0	-67.12	409.99	10.87	-56.25
CC(C1=CC=CC=C1)C(NC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300005440294	0	46	0.0	-72.23	346.84	8.63	-63.60
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005440297	0	49	0.0	-78.57	399.60	9.88	-68.69
CC(C1=CC=CC=C1)C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005440312	0	57	0.0	-68.69	414.92	9.36	-59.33
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440341	1	47	0.0	-66.65	373.20	9.87	-56.78
CC(C1=CC=CC=C1)C(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300005440342	1	53	0.0	-73.10	407.11	8.82	-64.28
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C=C1)C(C)C	REAL300005440344	0	58	0.0	-79.67	432.81	12.11	-67.56
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C=C1)C(C)C	REAL300005440344	1	58	0.0	-82.28	428.37	12.12	-70.16
CC(C1=CC=CC=C1)C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005440381	0	53	0.0	-67.34	414.78	11.68	-55.66
CC(C1=CC=CC=C1)C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005440381	1	53	0.0	-66.78	407.00	11.44	-55.34
CC(C1=CC=CC=C1)C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005440382	0	54	0.0	-78.95	402.05	10.60	-68.35
CC(C1=CC=CC=C1)C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005440410	0	57	0.0	-68.00	398.97	8.80	-59.20
CCC(C(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[NH+](CC)CC	REAL300005440414	0	51	0.0	-52.31	376.14	9.56	-42.75
CC(C1=CC=CC=C1)C(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005440416	0	52	0.0	-59.10	406.67	11.29	-47.81
CC(C1=CC=CC=C1)C(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005440416	1	52	0.0	-62.91	406.35	11.30	-51.61
CC(C1=CC=CC=C1)C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005440425	0	59	0.0	-69.58	446.06	13.02	-56.56
CC(C1=CC=CC=C1)C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005440425	1	59	0.0	-69.75	445.89	13.01	-56.74
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300005440438	0	48	0.0	-77.27	376.17	8.60	-68.67
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440444	0	57	0.0	-67.43	432.54	11.40	-56.03
CC(C1=CC=CC=C1)C(NC(=O)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300005440446	1	44	0.0	-68.01	340.20	7.52	-60.49
CC(C1=CC=CC=C1)C(NC(=O)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300005440446	1	44	0.0	-68.05	340.27	7.52	-60.53
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440454	1	47	0.0	-55.46	375.60	9.98	-45.48
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005440469	0	53	0.0	-82.99	412.08	11.80	-71.19
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005440475	0	56	0.0	-74.13	431.30	12.64	-61.49
CC(C1=CC=CC=C1)C(NC(=O)C1(C[NH+](C)C)CC1)C(=O)[O-]	REAL300005440481	0	46	0.0	-72.11	361.91	9.07	-63.04
CC(C1=CC=CC=C1)C(NC(=O)CCCC[NH+](C)C)C(=O)[O-]	REAL300005440490	0	48	0.0	-74.25	365.12	9.06	-65.19
CC(C1=CC=CC=C1)C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005440500	1	57	0.0	-78.03	437.58	11.77	-66.26
CC(C1=CC=CC=C1)C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005440500	1	57	0.0	-74.20	444.29	11.76	-62.44
CC1=C(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C=NN1C1=CC=[NH+]C=C1	REAL300005440512	1	47	0.0	-78.80	384.19	9.14	-69.66
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005440515	0	56	0.0	-83.28	429.35	12.54	-70.74
CC(C1=CC=CC=C1)C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300005440527	1	49	0.0	-77.27	385.64	9.06	-68.21
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005440528	0	52	0.0	-87.09	410.59	11.58	-75.51
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440534	1	45	0.0	-58.92	360.89	8.38	-50.54
CC(C1=CC=CC=C1)C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005440535	1	54	0.0	-56.22	416.98	11.16	-45.06
CC(C1=CC=CC=C1)C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005440535	1	54	0.0	-69.86	409.88	10.74	-59.12
CC(C1=CC=CC=C1)C(NC(=O)C[N@H+](C)C1CCC1)C(=O)[O-]	REAL300005440555	0	46	0.0	-54.76	355.86	9.20	-45.56
CC(C1=CC=CC=C1)C(NC(=O)C[N@@H+](C)C1CCC1)C(=O)[O-]	REAL300005440555	1	46	0.0	-58.27	357.80	9.29	-48.98
CC(C1=CC=CC=C1)C(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300005440584	0	51	0.0	-55.94	379.50	9.73	-46.21
CC(C1=CC=CC=C1)C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300005440584	1	51	0.0	-56.41	377.87	9.59	-46.82
CC(C1=CC=CC=C1)C(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005440586	0	52	0.0	-59.01	408.88	11.66	-47.35
CC(C1=CC=CC=C1)C(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005440586	1	52	0.0	-59.01	409.08	11.67	-47.34
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440587	0	56	0.0	-64.47	437.95	7.86	-56.61
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440587	1	56	0.0	-64.52	438.14	7.85	-56.67
CC(C1=CC=CC=C1)C(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300005440591	0	50	0.0	-63.63	380.33	7.65	-55.98
CC(C1=CC=CC=C1)C(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005440591	1	50	0.0	-68.01	379.03	7.71	-60.30
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440603	0	54	0.0	-57.30	413.47	10.98	-46.32
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440603	1	54	0.0	-57.36	413.67	11.00	-46.36
CC(C1=CC=CC=C1)C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300005440617	1	41	0.0	-77.65	332.67	10.48	-67.17
CC(C1=CC=CC=C1)C(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300005440631	0	47	0.0	-59.61	369.34	9.46	-50.15
CC(C1=CC=CC=C1)C(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300005440631	1	47	0.0	-59.04	370.47	9.47	-49.57
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300005440646	0	57	0.0	-70.24	417.58	8.13	-62.11
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300005440646	1	57	0.0	-62.90	421.61	8.21	-54.69
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300005440647	0	60	0.0	-70.47	441.68	8.84	-61.63
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300005440647	1	60	0.0	-69.82	435.40	8.73	-61.09
CC(C1=CC=CC=C1)C(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300005440648	0	50	0.0	-51.89	373.41	10.09	-41.80
CC(C1=CC=CC=C1)C(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300005440648	1	50	0.0	-55.02	366.92	9.80	-45.22
CC(C1=CC=CC=C1)C(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300005440650	0	49	0.0	-81.12	395.89	8.81	-72.31
CC(C1=CC=CC=C1)C(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005440654	0	58	0.0	-67.12	442.80	10.56	-56.56
CC(C1=CC=CC=C1)C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005440656	0	55	0.0	-67.73	421.39	10.94	-56.79
CC(C1=CC=CC=C1)C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005440656	1	55	0.0	-66.33	419.80	10.93	-55.40
CC(C1=CC=CC=C1)C(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005440661	1	53	0.0	-57.27	405.10	11.81	-45.46
CC(C1=CC=CC=C1)C(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005440661	1	53	0.0	-58.10	403.88	11.79	-46.31
CC(C1=CC=CC=C1)C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005440680	0	56	0.0	-72.16	435.11	12.46	-59.70
CC(C1=CC=CC=C1)C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005440680	1	56	0.0	-71.68	435.47	12.48	-59.20
CC(C1=CC=CC=C1)C(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005440693	0	49	0.0	-87.01	396.29	8.82	-78.19
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300005440694	0	49	0.0	-56.54	389.57	8.72	-47.82
CC(C1=CC=CC=C1)C(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[O-]	REAL300005440696	0	46	0.0	-63.28	344.65	8.28	-55.00
CC(C1=CC=CC=C1)C(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[O-]	REAL300005440696	1	46	0.0	-62.28	347.98	8.57	-53.71
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440697	1	50	0.0	-59.98	395.96	10.44	-49.54
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC[N@@H+]1C	REAL300005440700	0	49	0.0	-70.17	366.70	8.98	-61.19
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC[N@H+]1C	REAL300005440700	1	49	0.0	-61.20	370.88	9.53	-51.67
CC(C1=CC=CC=C1)C(NC(=O)C1C[N@H+](C)CC(C)O1)C(=O)[O-]	REAL300005440710	1	47	0.0	-78.47	361.10	7.97	-70.50
CC(C1=CC=CC=C1)C(NC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)[O-]	REAL300005440710	1	47	0.0	-78.50	361.26	8.00	-70.50
CC(C1=CC=CC=C1)C(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005440714	0	56	0.0	-66.09	430.12	12.70	-53.39
CC(C1=CC=CC=C1)C(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005440714	1	56	0.0	-62.62	432.83	12.76	-49.86
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440718	1	41	0.0	-58.84	339.44	8.91	-49.93
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005440720	0	50	0.0	-66.07	381.32	8.03	-58.04
CC(C1=CC=CC=C1)C(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005440721	0	57	0.0	-67.13	440.47	9.99	-57.14
CC(C1=CC=CC=C1)C(NC(=O)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300005440733	0	49	0.0	-60.27	374.54	9.79	-50.48
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300005440746	1	47	0.0	-70.26	359.62	8.24	-62.02
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300005440746	1	47	0.0	-76.77	366.71	8.40	-68.37
CC(C1=CC=CC=C1)C(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300005440777	1	56	0.0	-77.58	427.28	10.65	-66.93
CC(C1=CC=CC=C1)C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005440778	0	56	0.0	-61.88	414.45	11.09	-50.79
CC(C1=CC=CC=C1)C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005440778	1	56	0.0	-66.72	417.51	11.26	-55.46
CC(C1=CC=CC=C1)C(NC(=O)CCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300005440785	0	49	0.0	-67.53	371.82	9.25	-58.28
CC(C1=CC=CC=C1)C(NC(=O)CCC1CCC[N@H+]1C)C(=O)[O-]	REAL300005440785	1	49	0.0	-70.71	377.38	9.79	-60.92
CC(C1=CC=CC=C1)C(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300005440795	0	50	0.0	-55.67	379.46	10.26	-45.41
CC(C1=CC=CC=C1)C(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300005440795	1	50	0.0	-52.87	377.46	10.13	-42.74
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300005440807	0	58	0.0	-76.93	439.06	9.87	-67.06
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300005440808	0	58	0.0	-82.63	446.77	10.15	-72.48
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300005440808	1	58	0.0	-83.88	446.17	10.03	-73.85
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C=C1	REAL300005440810	0	59	0.0	-81.74	449.15	11.60	-70.14
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300005440818	0	52	0.0	-67.29	388.65	10.06	-57.23
CC(C1=CC=CC=C1)C(NC(=O)C12CC[NH+](CC1)C2)C(=O)[O-]	REAL300005440885	0	44	0.0	-69.15	341.36	7.77	-61.38
CC(C1=CC=CC=C1)C(NC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300005440894	0	47	0.0	-69.61	351.76	8.52	-61.09
CC(C1=CC=CC=C1)C(NC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300005440894	1	47	0.0	-75.29	350.82	8.57	-66.72
CC(C1=CC=CC=C1)C(NC(=O)C[NH+]1C(C)CCC1C)C(=O)[O-]	REAL300005440936	0	49	0.0	-53.77	366.99	9.03	-44.74
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300005440937	0	49	0.0	-77.18	389.73	10.79	-66.39
CC(C1=CC=CC=C1)C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005440938	0	56	0.0	-63.67	430.89	12.40	-51.27
CC(C1=CC=CC=C1)C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005440938	1	56	0.0	-62.76	431.03	12.42	-50.34
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300005440992	0	48	0.0	-71.35	379.03	10.03	-61.32
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300005440994	0	54	0.0	-71.96	400.34	7.58	-64.38
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300005440994	1	54	0.0	-63.46	408.55	7.89	-55.57
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005441001	1	50	0.0	-59.52	395.18	10.38	-49.14
CC[N@H+](CC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C1CC1	REAL300005441007	0	46	0.0	-53.39	358.60	9.26	-44.13
CC[N@@H+](CC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C1CC1	REAL300005441007	1	46	0.0	-59.79	352.98	9.21	-50.58
CC(C1=CC=CC=C1)C(NC(=O)C(C)[NH+]1CCCCCC1)C(=O)[O-]	REAL300005441034	0	52	0.0	-54.30	381.12	10.08	-44.22
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005441072	1	54	0.0	-82.94	424.53	11.22	-71.72
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005441072	1	54	0.0	-81.26	423.18	11.19	-70.07
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)O1	REAL300005441111	0	52	0.0	-74.99	410.22	10.49	-64.50
CC(C1=CC=CC=C1)C(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300005441112	0	52	0.0	-70.45	401.27	10.55	-59.90
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C(C)C3=CC=CC=C3)CC2)[NH+]=C1	REAL300005441114	1	55	0.0	-69.54	424.05	10.37	-59.17
CC(C1=CC=CC=C1)C(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005441115	1	49	0.0	-59.22	386.59	10.83	-48.39
CC(C1=CC=CC=C1)C(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005441115	1	49	0.0	-63.13	378.89	10.56	-52.57
CC(C1=CC=CC=C1)C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005441139	1	44	0.0	-78.56	370.88	8.75	-69.81
CC(C1=CC=CC=C1)C(NC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300005441162	1	45	0.0	-79.13	361.35	8.00	-71.13
CC(C1=CC=CC=C1)C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005441166	0	56	0.0	-74.18	432.47	12.21	-61.97
CC(C1=CC=CC=C1)C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005441166	1	56	0.0	-69.15	433.70	12.21	-56.94
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005441181	0	49	0.0	-57.97	370.37	9.43	-48.54
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300005441181	1	49	0.0	-57.04	369.94	9.34	-47.70
CC(C1=CC=CC=C1)C(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005441189	0	57	0.0	-82.33	452.52	11.76	-70.57
CC(C1=CC=CC=C1)C(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300005441202	0	50	0.0	-78.64	391.53	9.38	-69.26
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005441207	0	53	0.0	-77.51	416.67	10.90	-66.61
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300005441361	0	52	0.0	-67.02	395.32	10.32	-56.70
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300005441361	1	52	0.0	-67.04	385.97	9.98	-57.06
CC(C1=CC=CC=C1)C(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300005441388	1	50	0.0	-58.46	382.63	6.42	-52.04
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300005441576	0	52	0.0	-56.21	384.22	10.30	-45.91
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300005441576	1	52	0.0	-58.92	384.21	10.31	-48.61
CC(C1=CC=CC=C1)C(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005441577	0	46	0.0	-60.20	368.98	8.80	-51.40
CC(C1=CC=CC=C1)C(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005441577	1	46	0.0	-73.63	362.71	8.65	-64.98
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)N1	REAL300005441600	1	47	0.0	-60.38	380.26	8.58	-51.80
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300005442004	0	52	0.0	-77.94	412.23	11.63	-66.31
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005442012	0	53	0.0	-83.69	417.84	10.54	-73.15
CC(C1=CC=CC=C1)C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005442102	0	59	0.0	-65.48	448.54	13.17	-52.31
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005442104	1	57	0.0	-83.79	437.08	10.96	-72.83
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005442104	1	57	0.0	-82.16	434.39	10.90	-71.26
CC(C1=CC=CC=C1)C(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300005442132	0	46	0.0	-72.54	351.77	8.69	-63.85
CC(C1=CC=CC=C1)C(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300005442136	0	52	0.0	-69.54	382.35	9.91	-59.63
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C(C)C3=CC=CC=C3)=CN21	REAL300005442140	0	44	0.0	-65.44	361.61	10.59	-54.85
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300005442191	0	55	0.0	-67.24	412.97	11.02	-56.22
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300005442191	1	55	0.0	-65.63	412.75	11.00	-54.63
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300005442192	0	49	0.0	-62.77	371.10	9.51	-53.26
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300005442192	1	49	0.0	-62.95	372.31	9.51	-53.44
CC(C1=CC=CC=C1)C(NC(=O)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300005442196	0	46	0.0	-66.79	346.98	8.58	-58.21
CC(C1=CC=CC=C1)C(NC(=O)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005442196	1	46	0.0	-53.61	348.31	9.08	-44.53
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300005442198	1	46	0.0	-78.42	373.52	9.03	-69.39
CC(C1=CC=CC=C1)C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300005442206	1	48	0.0	-49.98	360.51	10.09	-39.89
CC(C1=CC=CC=C1)C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300005442206	1	48	0.0	-67.66	363.78	10.20	-57.46
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(CO)C(F)(F)F)C1	REAL300005442252	0	40	0.0	-50.43	320.22	3.25	-47.18
O=C([O-])C1CCC[N@H+](CC(=O)NCC(CO)C(F)(F)F)C1	REAL300005442252	1	40	0.0	-48.45	313.50	2.83	-45.62
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCCC(C2CC2)O1	REAL300005442416	0	51	0.0	-43.86	376.29	7.43	-36.43
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CCCC(C2CC2)O1	REAL300005442416	1	51	0.0	-46.37	371.55	7.50	-38.87
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3)COCCO2)C1	REAL300005442538	0	52	0.0	-47.64	391.82	7.30	-40.34
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3)COCCO2)C1	REAL300005442538	1	52	0.0	-46.99	391.20	7.28	-39.71
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC1CCS(=O)(=O)C1	REAL300005442665	0	46	0.0	-57.54	353.96	3.34	-54.20
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC1CCS(=O)(=O)C1	REAL300005442665	1	46	0.0	-59.77	355.45	3.75	-56.02
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CCO)C2CCCCCC2)C1	REAL300005442808	0	56	0.0	-48.99	389.83	6.39	-42.60
O=C([O-])C1CCC[N@H+](CC(=O)NC(CCO)C2CCCCCC2)C1	REAL300005442808	1	56	0.0	-47.41	384.93	6.27	-41.14
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300005442846	0	40	0.0	-75.18	344.58	8.39	-66.79
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300005442847	0	44	0.0	-82.78	375.66	8.66	-74.12
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=CC(C(=O)[O-])=C2)S1	REAL300005442848	0	40	0.0	-85.78	344.58	8.38	-77.40
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C(=O)[O-])S2)S1	REAL300005442849	0	37	0.0	-69.30	338.85	7.54	-61.76
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=CC(C(=O)[O-])=N2)S1	REAL300005442850	0	39	0.0	-66.52	342.30	6.65	-59.87
CC(SC1=CC=CC=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300005442851	0	47	0.0	-85.25	396.94	10.13	-75.12
CCOC1=CC(C(=O)NCC2=CC=C(C[NH+](C)C)S2)=CC=C1OCC(=O)[O-]	REAL300005442852	0	51	0.0	-80.17	426.65	9.33	-70.84
C[NH+](C)CC1=CC=C(CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300005442853	0	46	0.0	-79.97	390.65	9.88	-70.09
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=NC(C(=O)[O-])=C2)S1	REAL300005442854	0	39	0.0	-87.55	340.28	6.62	-80.93
C[NH+](C)CC1=CC=C(CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)S1	REAL300005442855	0	44	0.0	-79.64	378.71	9.56	-70.08
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)S1	REAL300005442856	0	42	0.0	-75.24	372.35	9.03	-66.21
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)S1	REAL300005442857	0	42	0.0	-75.24	372.35	9.03	-66.21
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C=C1	REAL300005442858	0	50	0.0	-79.99	419.18	9.94	-70.05
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300005442859	0	47	0.0	-77.23	402.68	9.40	-67.83
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C(=O)[O-])O2)S1	REAL300005442860	0	37	0.0	-65.52	330.99	6.78	-58.74
C[NH+](C)CC1=CC=C(CNC(=O)CCC2=CC=CC=C2C(=O)[O-])S1	REAL300005442861	0	46	0.0	-76.83	382.00	9.61	-67.22
CC1=CC(C(=O)NCC2=CC=C(C[NH+](C)C)S2)=CC(C)=C1OCC(=O)[O-]	REAL300005442862	0	50	0.0	-77.13	419.68	10.21	-66.92
C[NH+](C)CC1=CC=C(CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)S1	REAL300005442863	0	43	0.0	-86.58	368.86	9.05	-77.53
C[NH+](C)CC1=CC=C(CNC(=O)C2CCCC(C(=O)[O-])C2)S1	REAL300005442864	0	46	0.0	-86.17	363.75	8.44	-77.73
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C(=O)[O-])N=C2)S1	REAL300005442865	0	39	0.0	-75.29	340.07	6.60	-68.69
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)S1	REAL300005442866	0	39	0.0	-67.16	341.99	6.65	-60.51
C[NH+](C)CC1=CC=C(CNC(=O)CC(C)(C)CC(=O)[O-])S1	REAL300005442867	0	45	0.0	-76.05	353.35	7.81	-68.24
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300005442868	0	40	0.0	-75.27	349.08	8.46	-66.81
C[NH+](C)CC1=CC=C(CNC(=O)C2=CN=C(C(=O)[O-])C=N2)S1	REAL300005442869	0	38	0.0	-69.52	337.17	4.78	-64.74
C[NH+](C)CC1=CC=C(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300005442870	0	46	0.0	-74.96	369.00	8.59	-66.37
C[NH+](C)CC1=CC=C(CNC(=O)C2CCC(C(=O)[O-])CC2)S1	REAL300005442871	0	46	0.0	-75.89	370.32	8.61	-67.28
C[NH+](C)CC1=CC=C(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)S1	REAL300005442872	0	43	0.0	-86.96	369.25	9.07	-77.89
C[NH+](C)CC1=CC=C(CNC(=O)CN2C=C(C(=O)[O-])N=N2)S1	REAL300005442873	0	39	0.0	-89.14	346.01	5.03	-84.11
CC1=NC(C(=O)NCC2=CC=C(C[NH+](C)C)S2)=CC=C1C(=O)[O-]	REAL300005442874	0	42	0.0	-67.56	357.86	7.16	-60.40
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)S1	REAL300005442875	0	40	0.0	-78.29	365.87	8.99	-69.30
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300005442876	0	40	0.0	-75.18	344.58	8.39	-66.79
C[NH+](C)CC1=CC=C(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300005442877	0	43	0.0	-81.54	351.87	7.93	-73.61
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300005442878	0	43	0.0	-80.44	366.77	9.15	-71.29
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])S1	REAL300005442879	0	50	0.0	-83.39	410.24	11.76	-71.63
C[NH+](C)CC1=CC=C(CNC(=O)C2=C(CC(=O)[O-])OC=C2)S1	REAL300005442880	0	40	0.0	-81.86	347.03	7.29	-74.57
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442881	0	43	0.0	-80.11	373.87	7.92	-72.19
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC(C(=O)[O-])=CC=N2)S1	REAL300005442882	0	39	0.0	-76.10	341.78	6.66	-69.44
C[NH+](C)CC1=CC=C(CNC(=O)C23CC(C(=O)[O-])(C2)C3)S1	REAL300005442883	0	41	0.0	-73.87	348.01	7.96	-65.91
C[NH+](C)CC1=CC=C(CNC(=O)CC2CCC(C(=O)[O-])CC2)S1	REAL300005442884	0	49	0.0	-82.54	388.99	9.31	-73.23
C[NH+](C)CC1=CC=C(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)S1	REAL300005442885	0	47	0.0	-83.15	378.44	8.77	-74.38
C[NH+](C)CC1=CC=C(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300005442886	0	50	0.0	-76.78	387.73	9.27	-67.51
C[NH+](C)CC1=CC=C(CNC(=O)CC(C)(C)CC(=O)[O-])S1	REAL300005442887	0	45	0.0	-76.05	353.35	7.81	-68.24
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)S1	REAL300005442888	0	42	0.0	-77.79	366.42	7.69	-70.10
C[NH+](C)CC1=CC=C(CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)S1	REAL300005442889	0	47	0.0	-86.96	396.71	9.09	-77.87
C[NH+](C)CC1=CC=C(CNC(=O)C2=NOC(C(=O)[O-])=C2)S1	REAL300005442890	0	36	0.0	-66.06	325.05	5.94	-60.12
C[NH+](C)CC1=CC=C(CNC(=O)C2(C(=O)[O-])CCCC2)S1	REAL300005442891	0	43	0.0	-65.86	348.74	8.06	-57.80
C[NH+](C)CC1=CC=C(CNC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)S1	REAL300005442892	0	53	0.0	-76.13	423.46	11.28	-64.85
CC1=C(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C=C(C(=O)[O-])O1	REAL300005442893	0	40	0.0	-69.42	347.69	7.54	-61.88
CC1=C(C(=O)[O-])OC(C(=O)NCC2=CC=C(C[NH+](C)C)S2)=C1	REAL300005442894	0	40	0.0	-65.94	348.91	7.36	-58.58
C[NH+](C)CC1=CC=C(CNC(=O)CN2C=C(C(=O)[O-])C=N2)S1	REAL300005442895	0	40	0.0	-85.51	350.93	6.52	-78.99
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C=CC(=O)[O-])O2)S1	REAL300005442896	0	41	0.0	-67.92	364.13	7.97	-59.95
C[NH+](C)CC1=CC=C(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300005442897	0	47	0.0	-65.11	381.06	9.12	-55.99
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)S1	REAL300005442898	0	44	0.0	-75.06	375.59	8.67	-66.39
C[NH+](C)CC1=CC=C(CNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300005442899	0	49	0.0	-84.46	412.47	8.95	-75.51
C[NH+](C)CC1=CC=C(CNC(=O)CCSCC(=O)[O-])S1	REAL300005442900	0	40	0.0	-73.73	354.41	7.58	-66.15
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)S1	REAL300005442901	0	39	0.0	-67.16	341.99	6.65	-60.51
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442902	0	40	0.0	-74.09	346.63	6.04	-68.05
C[C@@H]1C[C@H](C(=O)NCC2=CC=C(C[NH+](C)C)S2)O[C@H]1C(=O)[O-]	REAL300005442903	0	44	0.0	-82.73	366.91	7.90	-74.83
C[NH+](C)CC1=CC=C(CNC(=O)C(C)(C)CCC(=O)[O-])S1	REAL300005442904	0	45	0.0	-81.35	362.16	7.92	-73.43
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)S1	REAL300005442905	0	43	0.0	-73.86	366.37	9.15	-64.71
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)S1	REAL300005442906	0	44	0.0	-76.46	376.66	9.67	-66.79
C[NH+](C)CC1=CC=C(CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)S1	REAL300005442907	0	41	0.0	-76.50	363.65	7.82	-68.68
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=CC=C2CCC(=O)[O-])S1	REAL300005442908	0	46	0.0	-85.37	379.56	9.91	-75.46
C[NH+](C)CC1=CC=C(CNC(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300005442909	0	43	0.0	-88.03	376.96	4.12	-83.91
C[NH+](C)CC1=CC=C(CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)S1	REAL300005442910	0	41	0.0	-73.03	364.80	8.18	-64.85
C[NH+](C)CC1=CC=C(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300005442911	0	43	0.0	-81.54	351.87	7.93	-73.61
CC1=CC=C(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C=C1C(=O)[O-]	REAL300005442912	0	43	0.0	-85.74	360.18	8.91	-76.83
C[NH+](C)CC1=CC=C(CNC(=O)C2=CN=CC(C(=O)[O-])=C2)S1	REAL300005442913	0	39	0.0	-77.37	339.75	6.60	-70.77
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442914	0	42	0.0	-63.72	356.00	7.25	-56.47
C[NH+](C)CC1=CC=C(CNC(=O)CN2C=CC(C(=O)[O-])=N2)S1	REAL300005442915	0	40	0.0	-96.56	350.27	6.54	-90.02
C[NH+](C)CC1=CC=C(CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)S1	REAL300005442916	0	46	0.0	-95.94	394.27	7.93	-88.01
C[NH+](C)CC1=CC=C(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)S1	REAL300005442917	0	47	0.0	-85.25	388.00	8.33	-76.92
C[NH+](C)CC1=CC=C(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)S1	REAL300005442918	0	47	0.0	-77.09	387.38	7.18	-69.91
CC1=C(C(=O)NCC2=CC=C(C[NH+](C)C)S2)OC(C(=O)[O-])=C1	REAL300005442919	0	40	0.0	-66.23	348.44	7.45	-58.78
C[NH+](C)CC1=CC=C(CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])S1	REAL300005442920	0	48	0.0	-72.08	376.11	9.45	-62.63
C[NH+](C)CC1=CC=C(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])S1	REAL300005442921	0	46	0.0	-82.31	357.58	9.14	-73.17
C[NH+](C)CC1=CC=C(CNC(=O)CN2CCCC(C(=O)[O-])C2)S1	REAL300005442922	1	48	0.0	-74.29	383.76	6.43	-67.86
C[NH+](C)CC1=CC=C(CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)S1	REAL300005442923	0	47	0.0	-60.87	384.51	10.21	-50.66
C[NH+](C)CC1=CC=C(CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)S1	REAL300005442924	0	47	0.0	-86.96	396.71	9.09	-77.87
C[NH+](C)CC1=CC=C(CNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300005442925	0	47	0.0	-95.04	402.60	10.51	-84.53
C[NH+](C)CC1=CC=C(CNC(=O)C2CC3(CC3C(=O)[O-])C2)S1	REAL300005442926	0	44	0.0	-77.18	365.26	8.70	-68.48
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442927	0	46	0.0	-81.77	377.45	9.42	-72.35
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442928	0	43	0.0	-66.30	360.58	9.06	-57.24
C[NH+](C)CC1=CC=C(CNC(=O)C2CC(C)(C(=O)[O-])C2)S1	REAL300005442929	0	43	0.0	-75.18	349.47	7.64	-67.54
C[NH+](C)CC1=CC=C(CNC(=O)C2=C(C(=O)[O-])SC=C2)S1	REAL300005442930	0	37	0.0	-86.99	331.65	8.32	-78.67
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC(C(=O)[O-])=NN2)S1	REAL300005442931	0	37	0.0	-79.34	328.45	4.80	-74.54
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442932	0	42	0.0	-75.04	350.24	7.15	-67.89
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442933	0	43	0.0	-75.35	360.21	9.04	-66.31
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)S1	REAL300005442934	0	40	0.0	-73.85	357.04	8.89	-64.96
C[NH+](C)CC1=CC=C(CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)S1	REAL300005442935	0	47	0.0	-78.07	385.54	9.24	-68.83
COC1=CC(C(=O)[O-])=NC(C(=O)NCC2=CC=C(C[NH+](C)C)S2)=C1	REAL300005442936	0	43	0.0	-64.44	372.04	5.96	-58.48
CN1C(C(=O)[O-])=CC=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442937	0	41	0.0	-75.95	347.17	7.59	-68.36
C[NH+](C)CC1=CC=C(CNC(=O)C2(C(=O)[O-])CC=CC2)S1	REAL300005442938	0	41	0.0	-65.31	341.05	7.91	-57.40
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300005442939	0	46	0.0	-75.10	387.77	9.96	-65.14
CC1=NNC(C(=O)NCC2=CC=C(C[NH+](C)C)S2)=C1C(=O)[O-]	REAL300005442940	0	40	0.0	-81.38	339.74	6.19	-75.19
C[NH+](C)CC1=CC=C(CNC(=O)CC2(CC(=O)[O-])CC2)S1	REAL300005442941	0	43	0.0	-71.96	356.10	8.13	-63.83
C[NH+](C)CC1=CC=C(CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)S1	REAL300005442942	0	44	0.0	-75.02	378.66	8.88	-66.14
C[NH+](C)CC1=CC=C(CNC(=O)C2=CSC(C(=O)[O-])=N2)S1	REAL300005442943	0	36	0.0	-64.07	333.86	5.51	-58.56
CC1=C(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C=C(C(=O)[O-])S1	REAL300005442944	0	40	0.0	-67.31	354.62	8.23	-59.08
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)S1	REAL300005442945	0	40	0.0	-76.50	373.99	8.94	-67.56
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2=CC=C(C[NH+](C)C)S2)=C1	REAL300005442946	0	44	0.0	-79.32	381.90	8.05	-71.27
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442947	0	43	0.0	-70.45	372.36	8.78	-61.67
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)S1	REAL300005442948	0	43	0.0	-86.62	379.35	9.64	-76.98
C[NH+](C)CC1=CC=C(CNC(=O)CCC2=CC=CN=C2C(=O)[O-])S1	REAL300005442949	0	45	0.0	-80.19	378.14	7.85	-72.34
C[NH+](C)CC1=CC=C(CNC(=O)C23CC(C(=O)[O-])(C2)CO3)S1	REAL300005442950	0	42	0.0	-70.45	354.50	5.97	-64.48
C[NH+](C)CC1=CC=C(CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)S1	REAL300005442951	0	44	0.0	-79.32	379.10	9.57	-69.75
C[NH+](C)CC1=CC=C(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300005442952	0	47	0.0	-65.11	381.06	9.12	-55.99
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442953	0	40	0.0	-76.92	350.16	5.80	-71.12
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)S1	REAL300005442954	0	41	0.0	-67.50	369.73	7.39	-60.11
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)S1	REAL300005442955	0	41	0.0	-75.94	369.54	7.51	-68.43
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)S1	REAL300005442956	0	41	0.0	-68.49	361.08	6.53	-61.96
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442957	0	43	0.0	-82.43	354.74	8.94	-73.49
C[NH+](C)CC1=CC=C(CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)S1	REAL300005442958	0	43	0.0	-80.96	374.49	7.79	-73.17
C=C1CCC1(C(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442959	0	41	0.0	-64.79	344.30	7.83	-56.96
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC(C(=O)[O-])=CS2)S1	REAL300005442960	0	37	0.0	-81.17	337.40	7.38	-73.79
C[NH+](C)CC1=CC=C(CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])S1	REAL300005442961	0	45	0.0	-77.84	364.82	6.89	-70.95
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)S1	REAL300005442962	0	46	0.0	-80.92	380.58	10.45	-70.47
CC(C)[C@]1(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C[C@H]1C(=O)[O-]	REAL300005442963	0	46	0.0	-73.72	373.53	8.32	-65.40
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300005442964	0	46	0.0	-88.38	385.56	9.52	-78.86
C[NH+](C)CC1=CC=C(CNC(=O)CC2=CC(C(=O)[O-])=CS2)S1	REAL300005442965	0	40	0.0	-85.22	360.40	8.19	-77.03
C[NH+](C)CC1=CC=C(CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300005442966	0	43	0.0	-89.94	373.40	9.08	-80.86
C[NH+](C)CC1=CC=C(CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)S1	REAL300005442967	0	43	0.0	-76.02	351.25	7.92	-68.10
C[NH+](C)CC1=CC=C(CNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)S1	REAL300005442968	0	47	0.0	-70.21	393.56	9.91	-60.30
C[NH+](C)CC1=CC=C(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300005442969	0	50	0.0	-76.78	387.73	9.27	-67.51
CC(C)(C)C1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005443114	0	49	0.0	-46.02	349.09	9.95	-36.07
CC(C)(C)C1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005443114	1	49	0.0	-48.30	349.89	10.39	-37.91
CN1C=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)N=N1	REAL300005443207	0	46	0.0	-54.77	349.40	7.66	-47.11
CN1C=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)N=N1	REAL300005443207	1	46	0.0	-43.93	347.67	7.58	-36.35
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005444483	0	53	0.0	-61.73	399.27	8.28	-53.45
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OC4CCOC4)C=C3C(=O)[O-])CN21	REAL300005444505	1	51	0.0	-56.43	397.60	8.19	-48.24
C[NH+](C)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444550	1	42	0.0	-57.83	328.82	5.41	-52.42
CC(C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])N1CC[NH+](C)CC1	REAL300005444551	1	54	0.0	-66.55	404.75	5.37	-61.18
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444576	1	49	0.0	-53.15	373.92	7.09	-46.06
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444576	1	49	0.0	-57.97	362.85	6.89	-51.08
C[NH+]1CCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC1	REAL300005444613	0	49	0.0	-64.76	374.93	7.13	-57.63
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005444640	0	44	0.0	-65.73	358.99	8.94	-56.79
C[NH+](C)CC1(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CCCCC1	REAL300005444660	0	58	0.0	-48.62	412.65	8.94	-39.68
C[N@H+](CCC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])C1CCCCC1	REAL300005444663	0	58	0.0	-59.30	428.12	9.03	-50.27
C[N@@H+](CCC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])C1CCCCC1	REAL300005444663	1	58	0.0	-59.10	428.06	9.04	-50.06
C[N@@H+]1CCCC1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444674	1	46	0.0	-52.59	355.85	6.41	-46.18
C[N@H+]1CCCC1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444674	1	46	0.0	-54.76	357.23	6.51	-48.25
C[NH+]1CCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC1	REAL300005444713	0	49	0.0	-64.76	374.93	7.13	-57.63
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444745	1	50	0.0	-59.31	400.63	8.34	-50.97
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300005444746	1	56	0.0	-67.03	427.92	7.03	-60.00
C[C@@H](C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])[NH+](C)C	REAL300005444750	0	45	0.0	-54.25	347.83	5.85	-48.40
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444751	1	46	0.0	-53.94	351.18	6.05	-47.89
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444751	1	46	0.0	-56.45	356.01	6.55	-49.90
C[C@H](C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])[NH+](C)C	REAL300005444754	0	45	0.0	-54.10	347.31	5.96	-48.14
CCC(C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])[NH+](CC)CC	REAL300005444807	0	54	0.0	-51.77	394.75	7.92	-43.85
CC(C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005444809	0	55	0.0	-53.13	423.48	9.47	-43.66
CC(C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005444809	1	55	0.0	-54.32	421.55	9.52	-44.80
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C=N1	REAL300005444822	0	51	0.0	-70.41	402.75	7.44	-62.97
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444824	0	60	0.0	-63.36	449.01	9.43	-53.93
C[N@@H+]1CCOC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005444825	1	47	0.0	-62.84	367.02	5.82	-57.02
C[N@H+]1CCOC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005444825	1	47	0.0	-62.74	366.75	5.80	-56.94
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444833	1	50	0.0	-53.32	395.23	8.16	-45.16
C[NH+](C)CC1(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC1	REAL300005444842	0	49	0.0	-60.93	380.83	7.16	-53.77
C[NH+](C)CCCCC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444846	0	51	0.0	-66.04	396.16	7.65	-58.39
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C=C1	REAL300005444865	0	55	0.0	-74.26	431.39	9.83	-64.43
CCC[N@H+](C)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444873	0	48	0.0	-56.28	368.94	6.87	-49.41
CCC[N@@H+](C)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444873	1	48	0.0	-56.15	368.77	6.84	-49.31
C[N@H+](CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])C1CCC1	REAL300005444885	0	49	0.0	-52.36	375.92	7.42	-44.94
C[N@@H+](CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])C1CCC1	REAL300005444885	1	49	0.0	-54.07	375.66	7.42	-46.65
C[N@H+](CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])CC(C)(C)C	REAL300005444901	0	54	0.0	-54.01	398.27	7.92	-46.09
C[N@@H+](CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])CC(C)(C)C	REAL300005444901	1	54	0.0	-53.39	401.20	8.07	-45.32
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444903	0	55	0.0	-58.91	429.70	9.93	-48.98
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444903	1	55	0.0	-58.97	429.89	9.95	-49.02
CC[C@@H](C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])[NH+](C)C	REAL300005444905	0	48	0.0	-53.29	360.01	6.47	-46.82
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005444907	0	53	0.0	-62.19	389.84	5.43	-56.76
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005444907	1	53	0.0	-57.43	399.40	5.67	-51.76
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444918	0	57	0.0	-57.30	433.44	9.20	-48.10
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444918	1	57	0.0	-57.21	433.27	9.20	-48.01
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005444930	1	44	0.0	-67.57	359.25	8.91	-58.66
C[N@H+](CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])C1CCSC1	REAL300005444937	1	50	0.0	-57.89	389.19	7.67	-50.22
C[N@@H+](CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])C1CCSC1	REAL300005444937	1	50	0.0	-60.22	390.03	7.76	-52.46
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005444951	0	53	0.0	-52.89	387.41	8.03	-44.86
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1CCCC2CCC[N@H+]21	REAL300005444951	1	53	0.0	-50.26	394.37	8.26	-42.00
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C=N1	REAL300005444952	0	52	0.0	-75.41	413.14	6.90	-68.51
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])=N1	REAL300005444978	0	52	0.0	-72.46	415.44	7.01	-65.45
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444979	0	52	0.0	-59.38	409.57	6.90	-52.48
C[C@@H]1[C@H](C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC[N@@H+]1C	REAL300005444981	0	49	0.0	-63.40	367.13	6.56	-56.84
C[C@@H]1[C@H](C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC[N@H+]1C	REAL300005444981	1	49	0.0	-61.57	373.54	6.74	-54.83
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444982	1	53	0.0	-56.16	414.76	8.62	-47.54
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC[N@@H+]1C	REAL300005444985	0	52	0.0	-67.29	385.91	7.17	-60.12
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC[N@H+]1C	REAL300005444985	1	52	0.0	-66.02	393.14	7.53	-58.49
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])O1	REAL300005444990	1	50	0.0	-63.31	380.44	6.05	-57.26
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])O1	REAL300005444990	1	50	0.0	-62.22	381.35	6.08	-56.14
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C[NH+]1CCCC1	REAL300005444995	1	46	0.0	-54.68	353.61	6.46	-48.22
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444997	1	44	0.0	-53.03	360.19	7.13	-45.90
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005444999	0	53	0.0	-64.76	401.18	6.16	-58.60
CC1CC[NH+](CC(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC1	REAL300005445018	1	52	0.0	-53.83	392.45	7.93	-45.90
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445029	1	50	0.0	-60.21	385.01	6.42	-53.79
CC[N@H+]1CCOC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445029	1	50	0.0	-57.38	378.05	6.26	-51.12
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445057	0	52	0.0	-61.75	396.03	7.88	-53.87
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445057	1	52	0.0	-62.09	390.99	7.46	-54.63
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005445065	0	53	0.0	-49.36	392.13	8.00	-41.36
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1CCC2CCCC[N@H+]21	REAL300005445065	1	53	0.0	-50.94	390.03	7.92	-43.02
CC[NH+](CC)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445080	0	48	0.0	-53.09	366.51	6.83	-46.26
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC1	REAL300005445082	0	55	0.0	-61.01	409.24	8.32	-52.69
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C12CC[NH+](CC1)C2	REAL300005445139	0	47	0.0	-62.24	361.17	5.98	-56.26
CCC(C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])[NH+](C)C	REAL300005445142	0	48	0.0	-54.86	358.33	6.56	-48.30
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C12CC[N@H+](C1)CCC2	REAL300005445148	0	50	0.0	-62.46	371.33	6.65	-55.81
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300005445148	1	50	0.0	-63.61	371.57	6.63	-56.98
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445176	0	52	0.0	-51.99	386.49	7.30	-44.69
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])=C1	REAL300005445177	0	52	0.0	-71.03	407.80	8.94	-62.09
C#CC[NH+]1CCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC1	REAL300005445212	0	51	0.0	-65.05	399.60	8.28	-56.77
CC[NH+]1CCN(CCC(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC1	REAL300005445214	0	57	0.0	-63.40	426.99	5.94	-57.46
CCN1CC[NH+](CCC(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC1	REAL300005445214	1	57	0.0	-60.44	427.42	6.07	-54.37
CC(C)[N@H+](C)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445215	0	48	0.0	-53.88	364.13	6.65	-47.23
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445215	1	48	0.0	-53.75	363.96	6.64	-47.11
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445219	1	53	0.0	-56.31	416.35	8.62	-47.69
CC[N@H+](CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])C1CC1	REAL300005445224	0	49	0.0	-52.69	379.53	7.49	-45.20
CC[N@@H+](CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])C1CC1	REAL300005445224	1	49	0.0	-52.94	376.01	7.49	-45.45
CC(C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])[NH+]1CCCCCC1	REAL300005445239	0	55	0.0	-51.74	400.00	7.97	-43.77
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445242	1	46	0.0	-56.71	356.66	6.54	-50.17
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445242	1	46	0.0	-54.35	350.73	6.02	-48.33
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445287	0	48	0.0	-55.27	367.77	5.15	-50.12
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCCC[NH+]1CCCC1	REAL300005445288	0	55	0.0	-64.67	420.14	8.73	-55.94
C[N@H+](CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])CC1=CC=CC=C1	REAL300005445290	1	52	0.0	-57.31	407.41	9.11	-48.20
C[N@@H+](CC(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-])CC1=CC=CC=C1	REAL300005445290	1	52	0.0	-58.31	406.25	9.04	-49.27
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])=NO1	REAL300005445321	1	48	0.0	-75.65	387.77	6.41	-69.24
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445331	0	52	0.0	-53.22	388.35	7.53	-45.69
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(OC2CCOC2)C=C1C(=O)[O-]	REAL300005445331	1	52	0.0	-51.77	388.81	7.50	-44.27
C[NH+]1CCC(OCC(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC1	REAL300005445345	0	53	0.0	-71.03	409.78	7.45	-63.58
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445442	0	55	0.0	-60.84	408.06	8.71	-52.13
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445442	1	55	0.0	-60.51	413.56	8.44	-52.07
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C[NH+]1CCC(CO)CC1	REAL300005445458	1	53	0.0	-55.68	403.38	4.66	-51.02
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445582	0	55	0.0	-58.08	409.48	8.29	-49.79
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445582	1	55	0.0	-56.74	403.21	8.49	-48.25
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])N1	REAL300005445599	1	50	0.0	-55.31	399.90	6.72	-48.59
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])=C1	REAL300005445865	0	55	0.0	-73.43	430.30	9.78	-63.65
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445953	0	49	0.0	-65.23	379.45	7.17	-58.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])CC1	REAL300005445957	0	55	0.0	-66.85	403.48	8.15	-58.70
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(OC4CCOC4)C=C3C(=O)[O-])=CN21	REAL300005445960	0	47	0.0	-59.97	381.24	8.72	-51.25
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445995	0	58	0.0	-58.32	424.72	9.33	-48.99
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445995	1	58	0.0	-59.85	431.04	9.12	-50.73
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445996	0	52	0.0	-59.34	392.80	7.77	-51.57
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005445996	1	52	0.0	-60.15	392.09	7.70	-52.45
C[N@@H+]1CCCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005446001	0	49	0.0	-59.53	368.15	7.25	-52.28
C[N@H+]1CCCC(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C1	REAL300005446001	1	49	0.0	-62.25	374.46	7.05	-55.20
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])O1	REAL300005446003	1	49	0.0	-65.32	394.23	7.22	-58.10
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005446011	1	51	0.0	-52.31	383.02	7.93	-44.38
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300005446011	1	51	0.0	-51.26	387.05	8.59	-42.67
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005447327	0	53	0.0	-70.96	399.95	10.55	-60.41
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005448108	0	50	0.0	-58.54	376.63	9.40	-49.14
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005448108	1	50	0.0	-61.33	376.51	9.41	-51.92
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300005448904	1	50	0.0	-65.68	401.00	10.53	-55.15
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300005448904	1	50	0.0	-64.76	398.11	10.41	-54.35
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])CN21	REAL300005448992	1	45	0.0	-59.33	346.49	8.06	-51.27
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005448993	0	53	0.0	-60.30	403.18	10.51	-49.79
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])CC2)=CS1	REAL300005449058	1	52	0.0	-70.03	405.98	8.32	-61.71
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C=C1	REAL300005449133	0	56	0.0	-70.86	432.93	10.08	-60.78
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])=C1	REAL300005449147	0	56	0.0	-74.16	433.86	12.39	-61.77
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])=C1	REAL300005449147	1	56	0.0	-73.87	433.76	12.39	-61.48
CC1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300005449148	0	56	0.0	-66.05	412.33	10.91	-55.14
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CC[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1	REAL300005450012	0	51	0.0	-67.66	377.47	5.99	-61.67
CCN1CC[NH+](CCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1	REAL300005450012	1	51	0.0	-65.48	377.47	5.98	-59.50
CC(C)C(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])[NH+]1CCCCC1	REAL300005450015	0	52	0.0	-55.48	367.38	8.79	-46.69
C[NH+](C)C(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300005450016	1	46	0.0	-61.95	353.61	8.82	-53.13
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005450020	0	51	0.0	-64.36	391.20	6.77	-57.59
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005450020	1	51	0.0	-63.18	392.21	6.73	-56.45
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	REAL300005450025	1	47	0.0	-59.18	364.32	8.48	-50.70
C[NH+](C)CC1=C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])OC2=CC=CC=C21	REAL300005450026	0	49	0.0	-65.26	378.32	9.11	-56.15
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005450030	0	50	0.0	-60.80	353.87	8.65	-52.15
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300005450030	1	50	0.0	-61.51	351.77	8.36	-53.15
CC(C)C(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005450054	1	56	0.0	-58.57	401.32	8.49	-50.08
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])=CC=C1N2	REAL300005450082	1	51	0.0	-75.75	391.61	9.21	-66.54
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])=CC=C1N2	REAL300005450082	1	51	0.0	-76.15	390.88	9.27	-66.88
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])O1	REAL300005450134	0	49	0.0	-69.11	374.73	8.22	-60.89
CC1=CC=C(N2CCC(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])CC2)[NH+]=C1	REAL300005450135	1	52	0.0	-63.81	393.05	8.38	-55.43
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300005450136	1	46	0.0	-67.80	354.36	8.97	-58.83
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300005450136	1	46	0.0	-65.97	355.58	8.91	-57.06
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])C=C2)CC1	REAL300005450139	0	58	0.0	-72.50	421.20	8.94	-63.56
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005450150	1	41	0.0	-74.52	338.01	6.75	-67.77
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	REAL300005450184	0	53	0.0	-69.37	397.21	10.32	-59.05
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	REAL300005450184	1	53	0.0	-67.53	400.12	10.33	-57.20
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C=C1	REAL300005450202	0	54	0.0	-73.81	421.35	9.78	-64.03
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005450220	0	50	0.0	-69.69	384.53	8.96	-60.73
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005450251	0	52	0.0	-63.18	392.89	8.54	-54.64
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005450251	1	52	0.0	-58.93	392.11	8.58	-50.35
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005450490	0	54	0.0	-62.86	407.82	10.82	-52.04
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005450490	1	54	0.0	-65.10	408.44	10.80	-54.30
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005450522	1	53	0.0	-62.19	403.51	10.54	-51.65
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005450522	1	53	0.0	-63.43	394.46	10.34	-53.09
C[N@@H+]1CC(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300005450605	0	43	0.0	-68.57	343.39	7.05	-61.52
C[N@H+]1CC(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300005450605	1	43	0.0	-72.61	323.61	7.46	-65.15
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])=C1	REAL300005451037	0	49	0.0	-73.00	379.71	9.62	-63.38
C[NH+](C)CCOC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C=C1	REAL300005451043	0	50	0.0	-73.07	387.00	8.56	-64.51
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005451122	0	56	0.0	-69.42	417.61	11.21	-58.21
CC1C[N@H+](CC2=CC=C(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])C=C2)CCO1	REAL300005451124	1	54	0.0	-76.81	403.22	9.03	-67.78
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])C=C2)CCO1	REAL300005451124	1	54	0.0	-75.30	404.37	8.98	-66.32
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1	REAL300005451210	0	52	0.0	-62.99	380.05	9.02	-53.97
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1	REAL300005451210	1	52	0.0	-62.99	380.05	9.02	-53.97
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1	REAL300005451218	0	52	0.0	-69.59	368.72	8.41	-61.18
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1	REAL300005451218	1	52	0.0	-69.59	368.72	8.41	-61.18
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)CCO2	REAL300005452249	0	55	0.0	-93.25	417.84	12.20	-81.05
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CCO2	REAL300005452826	0	52	0.0	-72.19	394.60	11.25	-60.94
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CCO2	REAL300005452826	1	52	0.0	-72.41	394.49	11.23	-61.18
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CC[NH+](C3CC3)CC1)CCO2	REAL300005453682	0	49	0.0	-85.63	366.49	9.89	-75.74
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CCC[N@@H+]1C1CC1)CCO2	REAL300005453707	0	46	0.0	-78.48	340.39	9.02	-69.46
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CCC[N@H+]1C1CC1)CCO2	REAL300005453707	1	46	0.0	-72.83	347.40	9.35	-63.48
CC1=[NH+]C=C2CCC(C(=O)N3CCOC4=CC=CC(C(=O)[O-])=C4C3)CN21	REAL300005453713	1	47	0.0	-80.86	365.82	9.73	-71.13
O=C([O-])C1=CC=CC2=C1CN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CCO2	REAL300005453714	0	55	0.0	-76.83	408.27	11.54	-65.29
C[N@@H+]1CCCCC1C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005453794	0	45	0.0	-75.39	325.93	8.32	-67.07
C[N@H+]1CCCCC1C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005453794	1	45	0.0	-71.28	338.05	8.68	-62.60
CC(C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)N1CC[NH+](C)CC1	REAL300005453795	1	50	0.0	-80.03	363.64	6.72	-73.31
C[N@@H+]1CCCC[C@H]1C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005453837	0	45	0.0	-71.03	337.45	8.67	-62.36
C[N@H+]1CCCC[C@H]1C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005453837	1	45	0.0	-74.18	327.98	8.19	-65.99
C[NH+]1CCC(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)CC1	REAL300005453924	0	45	0.0	-89.02	341.72	8.67	-80.35
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)CCO2	REAL300005453954	0	40	0.0	-86.22	332.97	10.50	-75.72
C[NH+](C)CC1(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)CCCCC1	REAL300005453990	0	54	0.0	-82.70	370.05	10.38	-72.32
C[N@H+](CCC(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)C1CCCCC1	REAL300005453995	0	54	0.0	-82.86	397.00	10.81	-72.05
C[N@@H+](CCC(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)C1CCCCC1	REAL300005453995	1	54	0.0	-82.71	396.99	10.80	-71.91
C[N@@H+]1CCCC1C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005454012	0	42	0.0	-76.15	316.96	7.65	-68.50
C[N@H+]1CCCC1C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005454012	1	42	0.0	-75.02	317.02	7.68	-67.34
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CCO2	REAL300005454017	1	52	0.0	-81.42	403.43	11.82	-69.60
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CCO2	REAL300005454017	1	52	0.0	-78.40	403.65	11.59	-66.81
C[NH+]1CCC(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)CC1	REAL300005454069	0	45	0.0	-89.02	341.72	8.67	-80.35
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)CCO2	REAL300005454073	0	48	0.0	-47.05	372.76	8.99	-38.06
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)CCO2	REAL300005454093	0	55	0.0	-75.29	392.01	11.44	-63.85
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CCCC[N@H+]1C1CCCC1)CCO2	REAL300005454093	1	55	0.0	-73.54	390.62	10.77	-62.77
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CCC([NH+]3CCOCC3)CC1)CCO2	REAL300005454094	0	56	0.0	-92.89	409.07	9.28	-83.61
CC1=[NH+]C=CN1CCCC(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005454130	1	46	0.0	-80.54	369.55	10.12	-70.42
O=C([O-])C1=CC=CC2=C1CN(C(=O)CCCC[NH+]1CCOCC1)CCO2	REAL300005454131	1	52	0.0	-88.52	396.81	8.82	-79.70
CC[N@H+](CC1=CC=C(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)C=C1)C(C)C	REAL300005454134	0	57	0.0	-50.78	409.20	11.44	-39.34
CC[N@@H+](CC1=CC=C(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)C=C1)C(C)C	REAL300005454134	1	57	0.0	-55.89	400.66	11.38	-44.51
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005454137	0	42	0.0	-76.33	317.00	7.67	-68.66
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005454137	1	42	0.0	-74.05	318.20	8.09	-65.96
C[NH+](C)C1(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)CC1	REAL300005454146	0	42	0.0	-80.80	320.57	7.69	-73.11
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)CCO2	REAL300005454193	0	52	0.0	-81.09	400.24	11.50	-69.59
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)CCO2	REAL300005454193	1	52	0.0	-81.47	396.84	11.57	-69.90
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CC[NH+](C3CCSC3)CC1)CCO2	REAL300005454194	0	53	0.0	-94.09	400.88	10.92	-83.17
O=C([O-])C1=CC=CC2=C1CN(C(=O)CC1([NH+]3CCOCC3)CCCC1)CCO2	REAL300005454218	0	56	0.0	-82.94	395.31	9.09	-73.85
CCC(C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)[NH+](CC)CC	REAL300005454222	0	50	0.0	-68.45	360.52	9.40	-59.05
CC(C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300005454224	0	51	0.0	-76.49	391.19	11.10	-65.39
CC(C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005454224	1	51	0.0	-77.09	390.13	11.12	-65.97
C[NH+](C)CC1=CC=C(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)C=N1	REAL300005454257	0	47	0.0	-58.00	361.52	8.21	-49.79
CCC[NH+](CCC)CCCC(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005454263	0	56	0.0	-83.17	421.21	11.40	-71.77
CC[N@H+](C)C(C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300005454264	0	51	0.0	-72.80	377.82	10.90	-61.90
CC[N@@H+](C)C(C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300005454264	1	51	0.0	-69.41	384.44	11.05	-58.36
C[N@@H+]1CCOC(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)C1	REAL300005454266	1	43	0.0	-94.81	331.56	7.38	-87.43
C[N@H+]1CCOC(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)C1	REAL300005454266	1	43	0.0	-96.19	330.20	7.47	-88.72
CC[NH+](CC)C(C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300005454268	0	54	0.0	-74.12	394.81	11.51	-62.61
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005454277	1	46	0.0	-71.74	364.23	9.90	-61.84
C[NH+](C)C(C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)C1=CC=C(Cl)C=C1	REAL300005454282	1	48	0.0	-73.30	385.97	10.89	-62.41
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)CCO2	REAL300005454295	0	52	0.0	-52.71	385.78	10.99	-41.72
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)CCO2	REAL300005454302	0	55	0.0	-59.87	412.38	11.91	-47.96
C[NH+](C)CC1(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)CC1	REAL300005454306	0	45	0.0	-79.22	345.94	8.66	-70.56
C[NH+](C)CCCCC(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005454315	0	47	0.0	-87.14	363.90	9.34	-77.80
CC(C)C(C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1)[NH+](C)C	REAL300005454324	0	47	0.0	-75.64	336.70	8.75	-66.89
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CCO2	REAL300005454337	0	55	0.0	-73.90	414.58	12.32	-61.58
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CC(C)[N@H+](C)CC(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460021	0	46	0.0	-85.89	348.25	7.64	-78.25
CC(C)[N@@H+](C)CC(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460021	1	46	0.0	-85.85	348.24	7.65	-78.20
CC(C)C(C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1)[NH+]1CCCCC1	REAL300005460022	0	56	0.0	-83.44	397.82	9.96	-73.48
C[NH+](C)C(C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1)C1=CC=CC=C1	REAL300005460023	1	50	0.0	-83.78	385.56	9.74	-74.04
O=C([O-])C1=NN(C2CCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)CC2)C=C1	REAL300005460027	0	55	0.0	-90.27	424.98	7.84	-82.43
O=C([O-])C1=NN(C2CCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)CC2)C=C1	REAL300005460027	1	55	0.0	-87.44	420.96	7.87	-79.57
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460032	1	51	0.0	-81.37	399.27	9.64	-71.73
C[NH+](C)CC1=C(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)OC2=CC=CC=C21	REAL300005460034	0	53	0.0	-79.79	409.81	10.31	-69.48
O=C([O-])C1=NN(C2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)C=C1	REAL300005460040	0	54	0.0	-83.84	393.07	9.79	-74.05
O=C([O-])C1=NN(C2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)C=C1	REAL300005460040	1	54	0.0	-78.33	397.53	9.70	-68.63
CC[N@H+](CC(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1)C1CC1	REAL300005460042	0	47	0.0	-84.48	362.40	8.48	-76.00
CC[N@@H+](CC(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1)C1CC1	REAL300005460042	1	47	0.0	-86.49	355.26	8.00	-78.49
CC(C)C(C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1)[NH+]1CC(C)OC(C)C1	REAL300005460069	1	60	0.0	-84.87	431.93	8.91	-75.96
CC(C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1)[NH+]1CCCCCC1	REAL300005460070	0	53	0.0	-79.04	381.55	8.89	-70.15
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460074	0	44	0.0	-83.72	335.61	7.21	-76.51
C[N@H+]1CCC[C@H]1C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460074	1	44	0.0	-86.30	332.24	6.97	-79.33
CC(C)(C)[NH2+]CC(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460157	0	46	0.0	-87.46	352.74	6.16	-81.30
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)O1	REAL300005460159	0	53	0.0	-83.03	410.48	9.65	-73.38
O=C([O-])C1=NN(C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C=C1	REAL300005460160	0	53	0.0	-87.84	404.38	9.74	-78.10
CC1=CC=C(N2CCC(C(=O)N3CCC(N4C=CC(C(=O)[O-])=N4)CC3)CC2)[NH+]=C1	REAL300005460162	1	56	0.0	-85.84	427.39	9.43	-76.41
C[N@H+](CC(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1)CC1=CC=CC=C1	REAL300005460163	1	50	0.0	-93.44	390.49	10.03	-83.41
C[N@@H+](CC(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1)CC1=CC=CC=C1	REAL300005460163	1	50	0.0	-93.51	390.49	10.04	-83.47
CC(C)[C@@H](C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1)[NH+](C)C	REAL300005460174	0	49	0.0	-85.66	353.11	8.07	-77.59
O=C([O-])C1=NN(C2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)C=C1	REAL300005460192	1	45	0.0	-90.87	371.25	7.58	-83.29
C[NH+](C)CC1=CC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)=NO1	REAL300005460220	1	46	0.0	-89.17	369.02	7.74	-81.43
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460224	0	57	0.0	-95.58	435.81	11.32	-84.26
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460224	1	57	0.0	-95.48	436.13	11.33	-84.15
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460237	0	50	0.0	-84.46	363.93	8.78	-75.68
CC(C)[N@H+]1CCCC1C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460237	1	50	0.0	-84.77	360.76	8.65	-76.12
C[NH+]1CCC(OCC(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)CC1	REAL300005460260	0	51	0.0	-92.25	393.73	8.62	-83.63
O=C([O-])C1=NN(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)CC2)C=C1	REAL300005460264	0	54	0.0	-84.72	416.06	10.07	-74.65
CCC[N@@H+]1CCCC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005460450	0	53	0.0	-87.62	397.05	9.37	-78.25
CCC[N@H+]1CCCC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005460450	1	53	0.0	-87.68	397.14	9.37	-78.31
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460481	0	53	0.0	-85.22	391.47	9.05	-76.17
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005460481	1	53	0.0	-84.34	395.00	9.44	-74.90
O=C([O-])C1=NN(C2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)C=C1	REAL300005460482	0	51	0.0	-90.22	387.24	5.62	-84.60
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005460707	0	53	0.0	-85.68	392.07	9.15	-76.53
CC(C)[N@H+]1CCCC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005460707	1	53	0.0	-84.93	383.21	9.03	-75.90
C[N@@H+]1CC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C(C(F)(F)F)C1	REAL300005460708	0	47	0.0	-98.55	364.16	8.45	-90.10
C[N@H+]1CC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C(C(F)(F)F)C1	REAL300005460708	1	47	0.0	-92.37	362.85	7.68	-84.69
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)N1	REAL300005460734	1	48	0.0	-82.67	384.98	7.81	-74.86
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)=C1	REAL300005461218	0	53	0.0	-85.10	413.14	10.43	-74.67
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C=C1	REAL300005461225	0	54	0.0	-89.42	421.70	9.41	-80.01
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005461361	0	47	0.0	-83.64	363.03	8.16	-75.48
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)CC1	REAL300005461365	0	53	0.0	-79.19	382.47	8.91	-70.28
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(N4C=CC(C(=O)[O-])=N4)CC3)=CN21	REAL300005461369	0	45	0.0	-79.83	369.95	9.58	-70.25
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005461430	0	56	0.0	-87.54	414.11	10.06	-77.48
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005461430	1	56	0.0	-87.04	414.59	10.06	-76.98
CC[N@@H+]1CCCC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005461431	0	50	0.0	-77.14	366.51	8.70	-68.44
CC[N@H+]1CCCC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005461431	1	50	0.0	-77.12	366.51	8.69	-68.43
C[N@@H+]1CCCC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005461436	0	47	0.0	-83.62	356.96	7.90	-75.72
C[N@H+]1CCCC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005461436	1	47	0.0	-88.82	358.00	7.98	-80.84
C[NH+](C)CC1=CC=C(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)O1	REAL300005461438	1	47	0.0	-91.40	375.54	8.31	-83.09
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005461444	0	56	0.0	-84.16	396.06	9.05	-75.11
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300005461444	1	56	0.0	-96.09	396.76	8.94	-87.15
O=C([O-])C1=NN(C2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2)C=C1	REAL300005461447	1	49	0.0	-84.69	366.84	9.75	-74.94
CCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(O)C(=O)[O-]	REAL300005462672	0	50	0.0	-63.59	378.21	7.32	-56.27
CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(O)C(=O)[O-]	REAL300005463422	0	47	0.0	-58.03	354.04	5.92	-52.11
CCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(O)C(=O)[O-]	REAL300005463422	1	47	0.0	-59.26	352.39	6.66	-52.60
CCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(O)C(=O)[O-]	REAL300005464194	0	50	0.0	-61.11	379.32	6.95	-54.16
CCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(O)C(=O)[O-]	REAL300005464254	1	49	0.0	-71.68	384.80	4.79	-66.89
CCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(O)C(=O)[O-]	REAL300005464306	0	53	0.0	-72.39	410.33	6.54	-65.85
CCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(O)C(=O)[O-]	REAL300005464319	0	53	0.0	-74.19	411.11	8.88	-65.31
CCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(O)C(=O)[O-]	REAL300005464319	1	53	0.0	-73.50	411.11	8.89	-64.61
CCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(O)C(=O)[O-]	REAL300005464320	0	53	0.0	-61.26	390.00	7.44	-53.82
CCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005464358	0	50	0.0	-63.46	396.02	7.60	-55.86
CCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005464358	1	50	0.0	-62.91	394.21	7.66	-55.25
CCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(O)C(=O)[O-]	REAL300005464390	0	49	0.0	-66.75	354.67	5.39	-61.36
CCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(O)C(=O)[O-]	REAL300005464390	1	49	0.0	-66.92	354.67	5.37	-61.55
CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(O)C(=O)[O-]	REAL300005464412	1	50	0.0	-54.90	378.87	7.25	-47.65
CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(O)C(=O)[O-]	REAL300005464412	1	50	0.0	-55.98	378.91	7.25	-48.73
CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(O)C(=O)[O-]	REAL300005464413	1	47	0.0	-45.80	357.57	7.00	-38.80
CCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(O)C(=O)[O-]	REAL300005464413	1	47	0.0	-40.84	354.84	6.98	-33.86
CCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(O)C(=O)[O-]	REAL300005464458	0	43	0.0	-72.00	345.40	4.44	-67.56
CCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(O)C(=O)[O-]	REAL300005464463	0	53	0.0	-71.63	410.67	6.90	-64.73
CCC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(O)C(=O)[O-]	REAL300005464488	0	50	0.0	-58.41	344.08	5.58	-52.83
CCC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(O)C(=O)[O-]	REAL300005464488	1	50	0.0	-51.26	353.53	5.93	-45.33
CCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(O)C(=O)[O-]	REAL300005464489	0	51	0.0	-72.62	367.98	4.07	-68.55
CCC(NC(=O)CCCC[NH+]1CCOCC1)C(O)C(=O)[O-]	REAL300005464514	1	47	0.0	-64.22	355.66	3.75	-60.47
CCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(O)C(=O)[O-]	REAL300005464515	0	52	0.0	-71.19	373.75	6.48	-64.71
CCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(O)C(=O)[O-]	REAL300005464515	1	52	0.0	-71.17	382.94	6.90	-64.27
CCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005464536	0	47	0.0	-67.75	359.86	6.20	-61.55
CCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005464536	1	47	0.0	-58.45	362.36	6.65	-51.80
CCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(O)C(=O)[O-]	REAL300005464537	0	48	0.0	-73.28	356.08	5.43	-67.85
CCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(O)C(=O)[O-]	REAL300005464557	1	52	0.0	-63.77	389.67	5.10	-58.67
CCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(O)C(=O)[O-]	REAL300005464558	0	51	0.0	-66.77	348.25	3.54	-63.23
CCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(O)C(=O)[O-]	REAL300005464561	0	46	0.0	-62.72	351.25	5.77	-56.95
CCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(O)C(=O)[O-]	REAL300005464561	1	46	0.0	-50.47	352.26	6.13	-44.34
CCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005464570	0	53	0.0	-63.31	401.14	8.19	-55.12
CCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005464570	1	53	0.0	-62.66	389.32	7.92	-54.74
CCC[NH+](CCC)CCCC(=O)NC(CC)C(O)C(=O)[O-]	REAL300005464607	0	51	0.0	-67.50	374.35	5.72	-61.78
CCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(O)C(=O)[O-]	REAL300005464608	1	51	0.0	-44.15	385.31	4.10	-40.05
CCC(NC(=O)C(C1=CC=CC=C1)[N@H+](C)CC)C(O)C(=O)[O-]	REAL300005464609	0	46	0.0	-57.05	349.51	5.90	-51.15
CCC(NC(=O)C(C1=CC=CC=C1)[N@@H+](C)CC)C(O)C(=O)[O-]	REAL300005464609	1	46	0.0	-58.95	343.60	5.74	-53.21
CCC(NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(O)C(=O)[O-]	REAL300005464613	0	49	0.0	-44.87	356.19	6.49	-38.38
CCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(O)C(=O)[O-]	REAL300005464616	1	43	0.0	-61.59	347.66	5.80	-55.79
CCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(O)C(=O)[O-]	REAL300005464630	0	47	0.0	-74.03	358.33	6.37	-67.66
CCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(O)C(=O)[O-]	REAL300005464637	0	50	0.0	-68.97	375.96	7.14	-61.83
CCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(O)C(=O)[O-]	REAL300005464643	0	58	0.0	-58.81	412.26	5.09	-53.72
CCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(O)C(=O)[O-]	REAL300005464648	1	54	0.0	-73.06	410.47	6.52	-66.54
CCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(O)C(=O)[O-]	REAL300005464659	1	51	0.0	-67.22	385.04	6.55	-60.67
CCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(O)C(=O)[O-]	REAL300005464659	1	51	0.0	-66.15	384.95	6.55	-59.60
CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(O)C(=O)[O-]	REAL300005464672	0	50	0.0	-51.00	372.45	7.19	-43.81
CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(O)C(=O)[O-]	REAL300005464672	1	50	0.0	-48.06	361.83	6.97	-41.09
CCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(O)C(=O)[O-]	REAL300005464674	1	41	0.0	-71.95	333.15	4.04	-67.91
CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(O)C(=O)[O-]	REAL300005464682	0	50	0.0	-69.67	376.89	7.46	-62.21
CCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(O)C(=O)[O-]	REAL300005464693	1	43	0.0	-70.85	340.80	4.24	-66.61
CCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(O)C(=O)[O-]	REAL300005464694	0	46	0.0	-74.60	358.12	6.48	-68.12
CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(O)C(=O)[O-]	REAL300005464701	1	48	0.0	-64.68	371.49	6.05	-58.63
CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(O)C(=O)[O-]	REAL300005464701	1	48	0.0	-65.92	371.63	6.05	-59.87
CCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(O)C(=O)[O-]	REAL300005464706	0	57	0.0	-58.74	414.39	8.58	-50.16
CCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(O)C(=O)[O-]	REAL300005464706	1	57	0.0	-59.24	421.66	8.87	-50.37
CCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(O)C(=O)[O-]	REAL300005464714	0	56	0.0	-60.86	409.13	8.14	-52.72
CCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(O)C(=O)[O-]	REAL300005464743	0	46	0.0	-56.08	356.62	6.61	-49.47
CCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(O)C(=O)[O-]	REAL300005464743	1	46	0.0	-55.03	356.53	6.60	-48.43
CCC(NC(=O)CC[N@H+](C)CCOCCOC)C(O)C(=O)[O-]	REAL300005464744	0	50	0.0	-58.39	385.68	2.78	-55.61
CCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(O)C(=O)[O-]	REAL300005464744	1	50	0.0	-66.95	384.39	2.41	-64.54
CCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(O)C(=O)[O-]	REAL300005464752	0	55	0.0	-63.67	411.70	6.29	-57.38
CCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(O)C(=O)[O-]	REAL300005464783	0	51	0.0	-66.84	371.61	2.97	-63.87
CCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(O)C(=O)[O-]	REAL300005464783	1	51	0.0	-66.47	367.93	2.76	-63.71
CCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(O)C(=O)[O-]	REAL300005464784	0	54	0.0	-66.01	393.11	3.77	-62.24
CCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(O)C(=O)[O-]	REAL300005464784	1	54	0.0	-60.10	390.56	3.92	-56.18
CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(O)C(=O)[O-]	REAL300005464789	0	55	0.0	-70.76	410.46	5.80	-64.96
CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(O)C(=O)[O-]	REAL300005464790	0	52	0.0	-70.82	389.06	5.13	-65.69
CCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(O)C(=O)[O-]	REAL300005464792	0	49	0.0	-59.86	367.20	5.77	-54.09
CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(O)C(=O)[O-]	REAL300005464792	1	49	0.0	-69.23	372.24	5.13	-64.10
CCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(O)C(=O)[O-]	REAL300005464796	1	47	0.0	-62.75	351.29	6.35	-56.40
CCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(O)C(=O)[O-]	REAL300005464796	1	47	0.0	-52.54	352.52	6.71	-45.83
CCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005464822	0	50	0.0	-71.20	380.87	7.00	-64.20
CCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005464822	1	50	0.0	-71.63	381.76	7.03	-64.60
CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(O)C(=O)[O-]	REAL300005464846	0	50	0.0	-68.89	373.23	7.12	-61.77
CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(O)C(=O)[O-]	REAL300005464846	1	50	0.0	-69.37	383.77	7.05	-62.32
CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(O)C(=O)[O-]	REAL300005464847	1	46	0.0	-56.92	357.16	4.86	-52.06
CCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(O)C(=O)[O-]	REAL300005464847	1	46	0.0	-55.99	356.85	4.96	-51.03
CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(O)C(=O)[O-]	REAL300005464849	0	51	0.0	-70.69	386.79	4.54	-66.15
CCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(O)C(=O)[O-]	REAL300005464883	1	50	0.0	-76.78	373.80	5.23	-71.55
CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(O)C(=O)[O-]	REAL300005464899	0	55	0.0	-69.38	402.71	6.25	-63.13
CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(O)C(=O)[O-]	REAL300005464899	1	55	0.0	-68.44	411.88	6.15	-62.29
CCC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(O)C(=O)[O-]	REAL300005464903	0	47	0.0	-64.83	334.18	2.77	-62.06
CCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(O)C(=O)[O-]	REAL300005464907	0	56	0.0	-66.80	406.21	5.51	-61.29
CCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(O)C(=O)[O-]	REAL300005464907	1	56	0.0	-65.27	395.65	5.27	-60.00
CCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(O)C(=O)[O-]	REAL300005464908	0	50	0.0	-62.73	381.43	4.98	-57.75
CCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(O)C(=O)[O-]	REAL300005464908	1	50	0.0	-69.15	361.63	3.79	-65.36
CCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(O)C(=O)[O-]	REAL300005464913	0	52	0.0	-67.13	393.08	4.72	-62.41
CCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(O)C(=O)[O-]	REAL300005464914	0	52	0.0	-66.59	393.37	4.88	-61.71
CCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(O)C(=O)[O-]	REAL300005464914	1	52	0.0	-70.17	393.72	4.95	-65.22
CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005464991	0	50	0.0	-62.49	371.14	7.20	-55.29
CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005464991	1	50	0.0	-55.30	372.32	7.54	-47.76
CCC(NC(=O)C(C(C)C)[NH+]1CCCCC1)C(O)C(=O)[O-]	REAL300005465040	0	49	0.0	-57.26	342.89	5.70	-51.56
CCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005465045	0	48	0.0	-56.24	371.27	3.60	-52.64
CCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(O)C(=O)[O-]	REAL300005465045	1	48	0.0	-63.76	369.54	3.29	-60.47
CCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(O)C(=O)[O-]	REAL300005465049	0	46	0.0	-55.14	356.73	5.96	-49.18
CCC(NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(O)C(=O)[O-]	REAL300005465051	0	52	0.0	-57.48	407.25	7.76	-49.72
CCC(NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(O)C(=O)[O-]	REAL300005465074	1	53	0.0	-58.22	378.98	5.02	-53.20
CCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(O)C(=O)[O-]	REAL300005465096	1	48	0.0	-75.27	369.42	5.69	-69.58
CCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(O)C(=O)[O-]	REAL300005465096	1	48	0.0	-73.26	370.54	6.05	-67.21
CCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(O)C(=O)[O-]	REAL300005465147	0	46	0.0	-62.44	357.85	5.33	-57.11
CCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(O)C(=O)[O-]	REAL300005465148	1	49	0.0	-65.65	370.29	4.87	-60.78
CCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(O)C(=O)[O-]	REAL300005465151	0	55	0.0	-73.89	402.41	5.66	-68.23
CCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(O)C(=O)[O-]	REAL300005465160	1	38	0.0	-73.69	315.55	3.24	-70.45
CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(O)C(=O)[O-]	REAL300005465190	0	50	0.0	-69.90	381.86	6.88	-63.02
CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(O)C(=O)[O-]	REAL300005465190	1	50	0.0	-64.38	381.74	7.23	-57.15
CCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(O)C(=O)[O-]	REAL300005465206	0	51	0.0	-75.00	398.74	6.25	-68.75
CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(O)C(=O)[O-]	REAL300005465223	0	47	0.0	-64.88	363.62	5.83	-59.05
CCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(O)C(=O)[O-]	REAL300005465249	0	49	0.0	-62.46	371.42	5.36	-57.10
CCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(O)C(=O)[O-]	REAL300005465249	1	49	0.0	-44.42	370.40	5.40	-39.02
CCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(O)C(=O)[O-]	REAL300005465451	0	51	0.0	-69.26	384.98	7.26	-62.00
CCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(O)C(=O)[O-]	REAL300005465451	1	51	0.0	-73.34	387.13	7.23	-66.11
CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(O)C(=O)[O-]	REAL300005465477	1	50	0.0	-46.03	382.58	7.37	-38.66
CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(O)C(=O)[O-]	REAL300005465477	1	50	0.0	-49.44	368.29	7.04	-42.40
CCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(O)C(=O)[O-]	REAL300005465542	0	40	0.0	-68.79	314.20	3.83	-64.96
CCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(O)C(=O)[O-]	REAL300005465542	1	40	0.0	-74.67	320.26	3.54	-71.13
CCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(O)C(=O)[O-]	REAL300005465911	0	46	0.0	-72.43	356.90	6.12	-66.31
CCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(O)C(=O)[O-]	REAL300005465915	0	47	0.0	-69.97	365.41	5.44	-64.53
CCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(O)C(=O)[O-]	REAL300005465983	0	53	0.0	-59.79	397.20	8.10	-51.69
CCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(O)C(=O)[O-]	REAL300005465985	1	51	0.0	-72.01	382.88	5.81	-66.20
CCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(O)C(=O)[O-]	REAL300005465985	1	51	0.0	-72.01	382.95	5.81	-66.20
CCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(O)C(=O)[O-]	REAL300005466050	0	49	0.0	-64.08	357.44	5.51	-58.57
CCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(O)C(=O)[O-]	REAL300005466050	1	49	0.0	-64.08	357.44	5.51	-58.57
CCC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(O)C(=O)[O-]	REAL300005466055	0	49	0.0	-69.70	346.24	4.92	-64.78
CCC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(O)C(=O)[O-]	REAL300005466055	1	49	0.0	-69.70	346.24	4.92	-64.78
CN1C=CN=C1CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005467326	0	53	0.0	-84.04	412.47	10.34	-73.70
CN1C=CN=C1CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005468044	0	50	0.0	-52.56	394.05	9.21	-43.35
CN1C=CN=C1CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005468044	1	50	0.0	-47.36	392.07	9.18	-38.18
CN1C=CN=C1CC(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300005468991	0	47	0.0	-67.16	366.77	7.91	-59.25
CN1C=CN=C1CC(NC(=O)C1CCC[N@@H+]1C1CC1)C(=O)[O-]	REAL300005469021	0	44	0.0	-51.44	353.15	7.58	-43.86
CN1C=CN=C1CC(NC(=O)C1CCC[N@H+]1C1CC1)C(=O)[O-]	REAL300005469021	1	44	0.0	-56.38	347.49	6.98	-49.40
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])CN21	REAL300005469027	1	45	0.0	-59.01	364.73	7.86	-51.15
CN1C=CN=C1CC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300005469028	0	53	0.0	-58.85	418.13	10.22	-48.63
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])CC2)=CS1	REAL300005469106	1	52	0.0	-84.14	419.85	8.10	-76.04
CC(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005469107	1	48	0.0	-68.40	367.87	4.87	-63.53
CN1C=CN=C1CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005469194	0	56	0.0	-77.86	451.42	9.80	-68.06
CN1C=CN=C1CC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005469207	0	56	0.0	-52.07	428.16	10.67	-41.40
CN1C=CN=C1CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300005469265	0	38	0.0	-67.65	327.28	8.63	-59.02
CN1C=CN=C1CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300005469298	0	52	0.0	-73.52	342.41	9.15	-64.37
CN1C=CN=C1CC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005469303	0	52	0.0	-74.24	389.47	8.76	-65.48
CN1C=CN=C1CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005469303	1	52	0.0	-74.19	389.74	8.70	-65.49
CN1C=CN=C1CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005469324	1	53	0.0	-52.05	421.55	10.24	-41.81
CN1C=CN=C1CC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005469324	1	53	0.0	-62.12	416.89	10.32	-51.80
CN1C=CN=C1CC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005469325	1	50	0.0	-56.53	407.87	9.88	-46.65
CN1C=CN=C1CC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005469325	1	50	0.0	-68.93	395.45	9.31	-59.62
CN1C=CN=C1CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005469382	0	46	0.0	-77.53	386.59	7.69	-69.84
CN1C=CN=C1CC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300005469407	0	53	0.0	-53.78	391.28	9.00	-44.78
CN1C=CN=C1CC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300005469407	1	53	0.0	-65.96	383.99	9.04	-56.92
CN1C=CN=C1CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005469408	0	54	0.0	-62.23	394.88	7.26	-54.97
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469439	1	44	0.0	-64.22	368.09	8.01	-56.21
CN1C=CN=C1CC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300005469440	1	50	0.0	-71.28	395.39	6.71	-64.57
CC[N@H+](CC1=CC=C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C=C1)C(C)C	REAL300005469442	0	55	0.0	-77.19	420.49	10.00	-67.19
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C=C1)C(C)C	REAL300005469442	1	55	0.0	-79.14	415.39	9.97	-69.17
CN1C=CN=C1CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005469467	0	50	0.0	-60.90	398.87	9.44	-51.46
CN1C=CN=C1CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005469467	1	50	0.0	-62.15	399.24	9.47	-52.68
CN1C=CN=C1CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005469468	0	51	0.0	-85.32	392.32	8.89	-76.43
CN1C=CN=C1CC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300005469496	1	55	0.0	-67.77	430.76	8.36	-59.41
CN1C=CN=C1CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005469497	0	54	0.0	-61.73	392.88	6.98	-54.75
CCC(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])[NH+](CC)CC	REAL300005469501	0	48	0.0	-49.60	363.62	7.42	-42.18
CC(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005469503	0	49	0.0	-52.82	392.03	9.10	-43.72
CC(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005469503	1	49	0.0	-69.89	386.10	9.09	-60.80
CN1C=CN=C1CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005469514	0	56	0.0	-57.44	433.06	11.34	-46.10
CN1C=CN=C1CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005469514	1	56	0.0	-65.42	439.89	11.14	-54.28
CN1C=CN=C1CC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300005469540	0	45	0.0	-86.19	361.92	6.68	-79.51
CCC[NH+](CCC)CCCC(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469550	0	54	0.0	-65.23	419.68	9.33	-55.90
CN1C=CN=C1CC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300005469551	1	54	0.0	-48.62	425.27	6.99	-41.63
CC[N@H+](C)C(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])C1=CC=CC=C1	REAL300005469552	0	49	0.0	-64.22	383.60	9.34	-54.88
CC[N@@H+](C)C(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])C1=CC=CC=C1	REAL300005469552	1	49	0.0	-52.87	389.93	9.16	-43.71
CC[NH+](CC)C(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])C1=CC=CC=C1	REAL300005469557	0	52	0.0	-59.85	392.76	9.44	-50.41
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469564	1	44	0.0	-54.14	363.00	7.79	-46.35
CN1C=CN=C1CC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300005469568	1	46	0.0	-69.26	382.74	9.13	-60.13
CN1C=CN=C1CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005469581	0	50	0.0	-80.66	400.32	9.69	-70.97
CN1C=CN=C1CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005469588	0	53	0.0	-81.11	407.88	10.34	-70.77
CCN1CCC([NH+]2CCC(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])CC2)CC1	REAL300005469594	0	61	0.0	-79.40	439.43	7.71	-71.69
CN1C=CN=C1CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005469614	1	54	0.0	-74.09	423.81	9.56	-64.53
CN1C=CN=C1CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005469614	1	54	0.0	-75.23	430.84	9.55	-65.68
CN1C=CN=C1CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005469629	0	53	0.0	-49.84	415.19	10.20	-39.64
CN1C=CN=C1CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005469629	1	53	0.0	-67.61	400.52	10.09	-57.52
CC1=C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005469631	1	44	0.0	-79.49	373.11	6.95	-72.54
CN1C=CN=C1CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005469639	0	53	0.0	-80.94	416.76	10.36	-70.58
CN1C=CN=C1CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300005469652	1	46	0.0	-75.64	379.58	7.22	-68.42
CN1C=CN=C1CC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005469653	0	49	0.0	-85.07	397.99	9.39	-75.68
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469665	1	42	0.0	-54.47	344.80	6.10	-48.37
CN1C=CN=C1CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005469666	1	51	0.0	-63.89	399.68	8.66	-55.23
CN1C=CN=C1CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005469666	1	51	0.0	-53.88	403.46	8.89	-44.99
CC(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005469678	0	59	0.0	-67.41	451.16	11.64	-55.77
CN1C=CN=C1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300005469730	0	48	0.0	-52.72	366.90	7.66	-45.06
CN1C=CN=C1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300005469730	1	48	0.0	-66.72	359.16	7.52	-59.20
CN1C=CN=C1CC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005469732	0	49	0.0	-57.33	396.50	9.49	-47.84
CN1C=CN=C1CC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005469732	1	49	0.0	-68.84	390.22	9.61	-59.23
COCCOCC[N@H+](C)CCC(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469733	0	53	0.0	-72.80	419.21	5.78	-67.02
COCCOCC[N@@H+](C)CCC(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469733	1	53	0.0	-75.90	419.26	5.79	-70.11
CN1C=CN=C1CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300005469737	0	47	0.0	-55.08	366.48	5.38	-49.70
CN1C=CN=C1CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005469737	1	47	0.0	-65.01	364.81	5.47	-59.54
CN1C=CN=C1CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005469754	0	58	0.0	-70.09	451.66	9.20	-60.89
CCCCCC[N@H+](C)CC(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469758	0	51	0.0	-67.31	394.81	8.93	-58.38
CCCCCC[N@@H+](C)CC(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469758	1	51	0.0	-54.70	400.84	8.88	-45.82
CN1C=CN=C1CC(NC(=O)C12CCC[NH+]1CCC2)C(=O)[O-]	REAL300005469768	0	44	0.0	-74.57	333.12	7.12	-67.45
CN1C=CN=C1CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300005469776	1	38	0.0	-74.48	327.79	8.58	-65.90
CN1C=CN=C1CC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300005469793	0	44	0.0	-68.72	352.07	7.33	-61.39
CN1C=CN=C1CC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300005469793	1	44	0.0	-58.80	356.60	7.35	-51.45
CC(C)[NH+]1CCN(CCC(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC1	REAL300005469808	0	54	0.0	-79.41	406.67	6.29	-73.12
CC(C)N1CC[NH+](CCC(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC1	REAL300005469808	1	54	0.0	-60.31	408.78	6.08	-54.23
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC1	REAL300005469809	0	57	0.0	-77.42	422.81	6.77	-70.65
CC(C)N1CC[NH+](CCCC(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC1	REAL300005469809	1	57	0.0	-65.89	430.28	6.88	-59.01
CN1C=CN=C1CC(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300005469810	0	47	0.0	-49.66	361.67	7.95	-41.71
CN1C=CN=C1CC(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300005469810	1	47	0.0	-52.99	352.41	7.64	-45.35
CN1C=CN=C1CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300005469812	0	46	0.0	-79.58	381.66	6.54	-73.04
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC3=NC=CN3C)C(=O)[O-])CC2)=C1	REAL300005469820	0	58	0.0	-64.03	451.32	9.11	-54.92
CN1C=CN=C1CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005469822	0	55	0.0	-65.16	430.16	8.39	-56.77
CN1C=CN=C1CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005469825	0	52	0.0	-62.24	405.37	8.70	-53.54
CN1C=CN=C1CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005469825	1	52	0.0	-76.63	407.30	8.45	-68.18
CC(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005469830	1	50	0.0	-53.14	392.38	9.56	-43.58
CC(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005469830	1	50	0.0	-66.78	391.06	9.51	-57.27
CN1C=CN=C1CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005469854	0	53	0.0	-70.34	421.54	10.27	-60.07
CN1C=CN=C1CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005469854	1	53	0.0	-69.71	419.45	10.19	-59.52
CN1C=CN=C1CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005469870	0	46	0.0	-82.66	380.34	6.58	-76.08
CN1C=CN=C1CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300005469871	0	46	0.0	-60.54	352.45	6.18	-54.36
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469877	1	47	0.0	-69.18	377.27	8.32	-60.86
CC[C@@H]1[C@@H](C(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC[N@@H+]1C	REAL300005469880	0	46	0.0	-66.67	353.21	6.76	-59.91
CC[C@@H]1[C@@H](C(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC[N@H+]1C	REAL300005469880	1	46	0.0	-65.88	358.43	7.11	-58.77
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469884	1	42	0.0	-50.15	344.01	6.83	-43.32
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469884	1	42	0.0	-63.71	339.19	7.31	-56.40
CC1C[N@H+](C)CC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])O1	REAL300005469892	1	44	0.0	-66.45	349.18	6.23	-60.22
CC1C[N@@H+](C)CC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])O1	REAL300005469892	1	44	0.0	-65.07	348.02	6.27	-58.80
CN1C=CN=C1CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005469898	0	53	0.0	-63.24	416.96	10.53	-52.71
CN1C=CN=C1CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005469898	1	53	0.0	-76.23	418.59	10.42	-65.81
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005469904	0	47	0.0	-63.17	368.67	5.78	-57.39
CN1C=CN=C1CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005469905	0	54	0.0	-65.10	427.89	7.80	-57.30
CC1CC[NH+](CC(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC1	REAL300005469915	0	46	0.0	-67.45	354.27	7.61	-59.84
CC[N@@H+]1CCOC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C1	REAL300005469930	1	44	0.0	-48.24	344.31	6.03	-42.21
CC[N@H+]1CCOC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C1	REAL300005469930	1	44	0.0	-76.26	336.34	5.95	-70.31
CN1C=CN=C1CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005469970	0	53	0.0	-58.62	401.97	8.95	-49.67
CN1C=CN=C1CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300005469970	1	53	0.0	-61.77	400.97	8.92	-52.85
CN1C=CN=C1CC(NC(=O)CCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300005469977	0	46	0.0	-75.83	353.17	7.13	-68.70
CN1C=CN=C1CC(NC(=O)CCC1CCC[N@H+]1C)C(=O)[O-]	REAL300005469977	1	46	0.0	-64.23	363.89	7.51	-56.72
CN1C=CN=C1CC(NC(=O)C12CCC[NH+](CCC1)C2)C(=O)[O-]	REAL300005469990	0	47	0.0	-66.90	353.05	7.25	-59.65
CN1C=CN=C1CC(NC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)[O-]	REAL300005469994	1	44	0.0	-76.16	335.61	3.17	-72.99
CN1C=CN=C1CC(NC(=O)C1(C)CC(O)C[N@H+]1C)C(=O)[O-]	REAL300005469994	1	44	0.0	-63.76	336.51	3.52	-60.24
CN1C=CN=C1CC(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300005469995	0	47	0.0	-54.75	357.35	7.50	-47.25
CN1C=CN=C1CC(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300005469995	1	47	0.0	-50.62	356.94	7.61	-43.01
CN1C=CN=C1CC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300005470003	0	50	0.0	-64.89	370.87	6.11	-58.78
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C=N1	REAL300005470008	0	53	0.0	-63.36	400.16	7.14	-56.22
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C=N1	REAL300005470008	1	53	0.0	-85.07	415.24	7.92	-77.15
CN1C=CN=C1CC(NC(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C(=O)[O-]	REAL300005470013	0	55	0.0	-79.00	424.99	7.91	-71.09
CN1C=CN=C1CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300005470014	0	55	0.0	-77.95	433.43	8.03	-69.92
CN1C=CN=C1CC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300005470014	1	55	0.0	-81.44	433.59	7.84	-73.60
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C=C1	REAL300005470015	0	56	0.0	-78.83	436.44	9.49	-69.34
CC(C)[NH+]1CCC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC1	REAL300005470023	0	49	0.0	-78.51	367.43	7.84	-70.67
CN1C=CN=C1CC(NC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300005470110	0	44	0.0	-65.96	338.49	6.26	-59.70
CN1C=CN=C1CC(NC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300005470110	1	44	0.0	-70.41	339.17	6.32	-64.09
CC1CCC(C)[NH+]1CC(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005470163	0	46	0.0	-62.70	346.94	7.02	-55.68
CN1C=CN=C1CC(NC(=O)C1=CC(C[NH+](C)C)=CC=C1)C(=O)[O-]	REAL300005470164	0	46	0.0	-73.57	373.82	8.56	-65.01
CN1C=CN=C1CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005470165	0	53	0.0	-57.90	411.39	10.41	-47.49
CN1C=CN=C1CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005470165	1	53	0.0	-61.35	417.59	10.21	-51.14
C#CC[NH+]1CCC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC1	REAL300005470235	0	45	0.0	-84.76	358.48	7.80	-76.96
CCC[N@@H+]1CCCCC1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005470237	0	49	0.0	-66.77	361.00	7.92	-58.85
CCC[N@H+]1CCCCC1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005470237	1	49	0.0	-53.33	378.40	8.10	-45.23
CN1C=CN=C1CC(NC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300005470238	0	46	0.0	-48.74	367.00	8.82	-39.92
CC[NH+]1CCN(CCC(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC1	REAL300005470240	0	51	0.0	-80.65	389.18	5.79	-74.86
CCN1CC[NH+](CCC(=O)NC(CC2=NC=CN2C)C(=O)[O-])CC1	REAL300005470240	1	51	0.0	-60.85	395.73	5.77	-55.08
CC(C)C(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])[NH+]1CCCCC1	REAL300005470242	0	52	0.0	-67.62	367.95	8.84	-58.78
CN1C=CN=C1CC(NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300005470243	1	46	0.0	-66.58	366.02	8.60	-57.98
CN1C=CN=C1CC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005470247	0	51	0.0	-57.73	410.51	6.60	-51.13
CN1C=CN=C1CC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005470247	1	51	0.0	-60.07	410.46	6.58	-53.49
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005470253	1	47	0.0	-68.11	376.77	8.27	-59.84
CN1C=CN=C1CC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300005470254	0	49	0.0	-56.39	395.74	8.85	-47.54
CN1C=CN=C1CC(NC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300005470260	0	50	0.0	-66.81	374.23	8.65	-58.16
CN1C=CN=C1CC(NC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300005470260	1	50	0.0	-53.65	368.52	8.34	-45.31
CC(C(=O)NC(CC1=NC=CN1C)C(=O)[O-])[NH+]1CCCCCC1	REAL300005470291	0	49	0.0	-63.68	361.14	7.58	-56.10
CN1C=CN=C1CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005470329	1	51	0.0	-82.01	409.86	8.99	-73.02
CN1C=CN=C1CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005470329	1	51	0.0	-81.85	408.63	9.01	-72.84
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])O1	REAL300005470385	0	49	0.0	-71.00	395.86	8.27	-62.73
CN1C=CN=C1CC(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300005470386	0	49	0.0	-68.61	388.44	8.43	-60.18
CC1=CC=C(N2CCC(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])CC2)[NH+]=C1	REAL300005470388	1	52	0.0	-67.45	411.15	8.19	-59.26
CN1C=CN=C1CC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005470389	1	46	0.0	-57.05	374.02	8.65	-48.40
CN1C=CN=C1CC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005470389	1	46	0.0	-70.62	367.96	8.70	-61.92
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])C=C2)CC1	REAL300005470393	0	58	0.0	-90.80	434.34	8.87	-81.93
CN1C=CN=C1CC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300005470444	1	42	0.0	-77.56	355.29	6.15	-71.41
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005470448	0	53	0.0	-66.95	422.07	10.04	-56.91
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005470448	1	53	0.0	-65.03	416.73	10.03	-55.00
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005470467	0	46	0.0	-53.77	356.20	7.18	-46.59
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005470467	1	46	0.0	-63.25	336.76	6.82	-56.43
CN1C=CN=C1CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005470474	0	54	0.0	-81.37	439.61	9.57	-71.80
CN1C=CN=C1CC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300005470495	0	47	0.0	-75.47	377.07	7.21	-68.26
CN1C=CN=C1CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005470500	0	50	0.0	-73.56	401.58	8.62	-64.94
CN1C=CN=C1CC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300005470545	0	52	0.0	-72.83	405.30	8.32	-64.51
CN1C=CN=C1CC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300005470545	1	52	0.0	-49.69	408.88	8.38	-41.31
CCC[N@@H+]1CCCC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C1	REAL300005470697	0	49	0.0	-73.14	374.27	7.89	-65.25
CCC[N@H+]1CCCC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C1	REAL300005470697	1	49	0.0	-63.24	368.81	8.33	-54.91
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005470730	0	49	0.0	-56.62	370.64	7.36	-49.26
CC(C)C[N@H+]1CCCC1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005470730	1	49	0.0	-64.30	369.07	7.79	-56.51
CN1C=CN=C1CC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300005470731	1	47	0.0	-67.08	364.88	4.36	-62.72
CN1C=CN=C1CC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005470833	0	54	0.0	-68.31	424.57	10.56	-57.75
CN1C=CN=C1CC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005470833	1	54	0.0	-59.71	426.68	10.63	-49.08
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C1	REAL300005470971	0	49	0.0	-60.50	375.40	7.82	-52.68
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C1	REAL300005470971	1	49	0.0	-52.78	369.55	8.06	-44.72
CN1C=CN=C1CC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005470972	0	43	0.0	-61.08	361.08	6.85	-54.23
CN1C=CN=C1CC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005470972	1	43	0.0	-67.88	360.70	6.87	-61.01
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=NC=CN2C)C(=O)[O-])N1	REAL300005470996	1	44	0.0	-58.11	367.60	6.34	-51.77
CN1C=CN=C1CC(NC(=O)C1=CC(CC[NH+](C)C)=CC=C1)C(=O)[O-]	REAL300005471501	0	49	0.0	-76.76	396.31	9.39	-67.37
CN1C=CN=C1CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005471509	0	50	0.0	-80.96	405.05	8.41	-72.55
CN1C=CN=C1CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005471610	0	56	0.0	-67.78	437.07	10.99	-56.79
CC1CN(CC2=CC=C(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])C=C2)CCO1	REAL300005471612	0	54	0.0	-82.65	422.88	8.72	-73.93
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])C=C2)CCO1	REAL300005471612	1	54	0.0	-94.65	413.75	8.67	-85.98
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])C=C2)CCO1	REAL300005471612	1	54	0.0	-94.65	413.75	8.67	-85.98
CN1C=CN=C1CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300005471659	0	49	0.0	-67.07	369.42	7.80	-59.27
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])=CN21	REAL300005471663	0	41	0.0	-74.09	339.36	8.34	-65.75
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C1	REAL300005471727	0	52	0.0	-59.77	396.83	8.78	-50.99
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C1	REAL300005471727	1	52	0.0	-60.83	397.67	8.72	-52.11
CC[N@@H+]1CCCC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C1	REAL300005471728	0	46	0.0	-64.43	344.36	7.44	-56.99
CC[N@H+]1CCCC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C1	REAL300005471728	1	46	0.0	-62.57	358.73	7.29	-55.28
CN1C=CN=C1CC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300005471734	1	43	0.0	-75.17	361.08	6.85	-68.32
CN1C=CN=C1CC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300005471740	0	52	0.0	-74.58	379.71	7.74	-66.84
CN1C=CN=C1CC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005471740	1	52	0.0	-82.59	380.10	8.11	-74.48
CN1C=CN=C1CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300005471743	1	45	0.0	-58.60	337.44	8.03	-50.57
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005471782	1	43	0.0	-50.93	333.50	9.97	-40.96
O=C([O-])CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CC(Cl)=C1	REAL300005473691	0	47	0.0	-75.21	377.95	9.90	-65.31
CC1=[NH+]C=C2CCC(C(=O)NC(CC(=O)[O-])C3=CC=CC(Cl)=C3)CN12	REAL300005473715	1	45	0.0	-67.17	371.71	9.57	-57.60
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1)N1CC[NH+](C)CC1	REAL300005473778	1	48	0.0	-65.11	384.07	7.40	-57.71
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005473808	0	43	0.0	-56.50	352.92	9.13	-47.37
C[N@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005473808	1	43	0.0	-61.47	336.80	8.30	-53.17
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300005473869	0	43	0.0	-69.79	355.74	9.17	-60.62
O=C([O-])CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CC(Cl)=C1	REAL300005473896	0	38	0.0	-63.73	340.97	11.16	-52.57
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)CCCCC1	REAL300005473924	0	52	0.0	-68.92	386.26	11.05	-57.87
C[N@H+](CCC(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1)C1CCCCC1	REAL300005473928	0	52	0.0	-73.85	402.21	10.42	-63.43
C[N@@H+](CCC(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1)C1CCCCC1	REAL300005473928	1	52	0.0	-73.83	402.22	10.41	-63.42
C[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005473941	0	40	0.0	-49.90	336.61	8.46	-41.44
C[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005473941	1	40	0.0	-51.19	337.36	8.50	-42.69
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300005473986	0	43	0.0	-69.79	355.74	9.17	-60.62
O=C([O-])CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300005473989	0	46	0.0	-80.29	391.51	9.43	-70.86
O=C([O-])CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=CC(Cl)=C1	REAL300005474000	0	54	0.0	-67.56	408.92	8.97	-58.59
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005474030	1	44	0.0	-62.94	381.65	10.53	-52.41
O=C([O-])CC(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=CC(Cl)=C1	REAL300005474031	1	50	0.0	-78.55	402.13	8.41	-70.14
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005474035	0	40	0.0	-57.40	330.85	8.21	-49.19
C[N@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005474035	1	40	0.0	-54.66	336.27	8.62	-46.04
O=C([O-])CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(Cl)=C1	REAL300005474068	0	50	0.0	-56.18	413.99	12.02	-44.16
O=C([O-])CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(Cl)=C1	REAL300005474068	1	50	0.0	-73.77	408.85	11.32	-62.45
O=C([O-])CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=CC(Cl)=C1	REAL300005474069	0	51	0.0	-69.11	414.46	11.38	-57.73
O=C([O-])CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=CC(Cl)=C1	REAL300005474091	0	54	0.0	-59.96	398.03	9.48	-50.48
CCC(C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1)[NH+](CC)CC	REAL300005474095	0	48	0.0	-61.45	368.81	9.27	-52.18
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300005474097	0	49	0.0	-52.72	404.93	11.73	-40.99
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005474097	1	49	0.0	-69.58	398.61	10.86	-58.72
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300005474116	0	45	0.0	-80.57	377.83	8.46	-72.11
CCC[NH+](CCC)CCCC(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005474119	0	54	0.0	-73.82	425.84	11.01	-62.81
C[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)C1	REAL300005474121	1	41	0.0	-67.01	348.07	7.99	-59.02
C[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)C1	REAL300005474121	1	41	0.0	-84.53	340.94	7.31	-77.22
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005474128	1	44	0.0	-64.66	369.45	9.57	-55.09
O=C([O-])CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300005474141	0	50	0.0	-84.63	406.90	11.49	-73.14
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300005474147	0	43	0.0	-48.56	352.60	9.64	-38.92
C[NH+](C)CCCCC(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005474154	0	45	0.0	-77.03	369.23	8.96	-68.07
CC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300005474171	1	44	0.0	-81.53	379.02	8.73	-72.80
O=C([O-])CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=CC(Cl)=C1	REAL300005474183	1	46	0.0	-71.36	394.21	9.74	-61.62
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300005474184	0	49	0.0	-87.35	404.58	11.18	-76.17
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005474189	1	42	0.0	-64.80	353.21	7.90	-56.90
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O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN=CC3=C2CCC3)C1	REAL300005475946	0	46	0.0	-50.55	356.29	7.50	-43.05
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN=CC3=C2CCC3)C1	REAL300005475946	1	46	0.0	-47.80	350.40	7.49	-40.31
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(O)CO)CC2)C1	REAL300005476030	0	48	0.0	-52.32	354.33	2.41	-49.91
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(O)CO)CC2)C1	REAL300005476030	1	48	0.0	-47.97	346.85	1.94	-46.03
CC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300005477194	0	49	0.0	-72.75	373.01	9.30	-63.45
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300005477906	0	46	0.0	-61.12	350.02	8.21	-52.91
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300005477906	1	46	0.0	-62.33	355.81	8.74	-53.59
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300005478510	1	46	0.0	-64.19	366.80	8.75	-55.44
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300005478510	1	46	0.0	-63.47	366.83	8.75	-54.72
CC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC(=O)[O-]	REAL300005478563	0	49	0.0	-63.74	367.83	8.79	-54.95
CC1=NC(C[NH+]2CCC(C(=O)NCC(C)CC(=O)[O-])CC2)=CS1	REAL300005478606	1	48	0.0	-71.51	380.73	7.12	-64.39
CC(CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300005478649	0	52	0.0	-72.05	406.26	8.87	-63.18
CC(CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300005478657	0	52	0.0	-75.11	407.05	11.18	-63.93
CC(CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300005478657	1	52	0.0	-74.59	407.06	11.19	-63.40
CC(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300005478658	0	52	0.0	-65.46	385.93	9.76	-55.70
CC(CNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005478693	0	49	0.0	-65.77	387.58	9.47	-56.30
CC(CNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005478693	1	49	0.0	-65.75	389.43	9.65	-56.10
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300005478729	1	49	0.0	-65.13	377.26	9.32	-55.81
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300005478729	1	49	0.0	-65.10	377.25	9.33	-55.77
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300005478730	1	46	0.0	-65.00	356.48	8.28	-56.72
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300005478730	1	46	0.0	-64.27	356.50	8.30	-55.97
CC(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)CC(=O)[O-]	REAL300005478770	0	42	0.0	-72.02	341.35	6.73	-65.29
CC(CNC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)CC(=O)[O-]	REAL300005478775	0	52	0.0	-75.52	405.48	8.86	-66.66
CC(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)CC(=O)[O-]	REAL300005478798	0	50	0.0	-71.93	363.91	6.38	-65.55
CC[N@H+](CC1=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C1)C(C)C	REAL300005478813	0	51	0.0	-72.93	371.50	9.05	-63.88
CC[N@@H+](CC1=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C1)C(C)C	REAL300005478813	1	51	0.0	-71.04	369.69	8.78	-62.26
CC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005478833	0	46	0.0	-67.93	357.12	8.55	-59.38
CC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005478833	1	46	0.0	-67.49	357.20	8.61	-58.88
CC(CNC(=O)C1CC[NH+](C2CCSC2)CC1)CC(=O)[O-]	REAL300005478834	0	47	0.0	-74.64	352.01	7.76	-66.88
CC(CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300005478852	1	51	0.0	-65.81	385.61	7.41	-58.40
CC(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)CC(=O)[O-]	REAL300005478853	0	50	0.0	-67.23	349.51	6.00	-61.23
CC(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005478861	0	52	0.0	-70.47	395.85	10.18	-60.29
CC(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005478861	1	52	0.0	-70.42	395.87	10.18	-60.24
CC(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)CC(=O)[O-]	REAL300005478898	1	50	0.0	-61.83	380.29	6.05	-55.78
CC[NH+](CC)C(C(=O)NCC(C)CC(=O)[O-])C1=CC=CC=C1	REAL300005478903	0	48	0.0	-60.97	353.87	8.38	-52.59
CC(CNC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)CC(=O)[O-]	REAL300005478904	1	42	0.0	-65.34	343.65	8.12	-57.22
CC(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)CC(=O)[O-]	REAL300005478916	0	46	0.0	-73.76	354.28	8.67	-65.09
CC(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)CC(=O)[O-]	REAL300005478921	0	49	0.0	-70.05	371.91	9.44	-60.61
CCN1CCC([NH+]2CCC(C(=O)NCC(C)CC(=O)[O-])CC2)CC1	REAL300005478927	0	57	0.0	-69.99	407.05	7.06	-62.93
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(C)CC(=O)[O-])=C1	REAL300005478929	0	59	0.0	-70.90	453.16	12.86	-58.04
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(C)CC(=O)[O-])=C1	REAL300005478929	1	59	0.0	-73.70	456.12	12.81	-60.89
CC(CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)CC(=O)[O-]	REAL300005478933	1	53	0.0	-77.08	405.18	8.48	-68.60
CC(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300005478943	1	50	0.0	-76.46	379.74	8.59	-67.87
CC(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300005478943	1	50	0.0	-76.51	379.81	8.59	-67.92
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300005478958	0	49	0.0	-60.90	370.87	9.24	-51.66
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300005478958	1	49	0.0	-61.43	361.39	9.10	-52.33
CC1=C(C(=O)NCC(C)CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005478959	1	40	0.0	-75.78	326.36	5.96	-69.82
CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)CC(=O)[O-]	REAL300005478966	0	49	0.0	-74.34	371.60	9.40	-64.94
CC(CNC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)CC(=O)[O-]	REAL300005478976	0	59	0.0	-71.20	446.20	12.31	-58.89
CC(CNC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)CC(=O)[O-]	REAL300005478976	1	59	0.0	-72.39	446.85	12.19	-60.20
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300005478981	1	47	0.0	-69.55	359.19	7.98	-61.57
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300005478981	1	47	0.0	-67.76	359.25	7.98	-59.78
CC(CNC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)CC(=O)[O-]	REAL300005478985	0	56	0.0	-62.17	409.20	10.66	-51.51
CC(CNC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)CC(=O)[O-]	REAL300005478985	1	56	0.0	-63.84	416.38	10.94	-52.90
CC(CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300005478993	0	55	0.0	-63.03	410.46	10.57	-52.46
COCCOCC[N@H+](C)CCC(=O)NCC(C)CC(=O)[O-]	REAL300005479014	0	49	0.0	-67.71	380.32	4.72	-62.99
COCCOCC[N@@H+](C)CCC(=O)NCC(C)CC(=O)[O-]	REAL300005479014	1	49	0.0	-68.80	380.37	4.74	-64.06
CC(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300005479023	0	54	0.0	-72.75	406.49	8.25	-64.50
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CC(=O)[O-]	REAL300005479024	1	48	0.0	-65.36	365.85	7.50	-57.86
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CC(=O)[O-]	REAL300005479024	1	48	0.0	-65.75	356.39	7.36	-58.39
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CC(=O)[O-]	REAL300005479025	1	48	0.0	-62.84	365.74	7.40	-55.44
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CC(=O)[O-]	REAL300005479025	1	48	0.0	-64.06	356.33	7.34	-56.72
CC(CNC(=O)CCCN1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300005479043	0	53	0.0	-66.32	389.04	6.09	-60.23
CC(C)N1CC[NH+](CCCC(=O)NCC(C)CC(=O)[O-])CC1	REAL300005479043	1	53	0.0	-68.54	385.36	5.88	-62.66
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(C)CC(=O)[O-])CC2)=C1	REAL300005479047	0	54	0.0	-71.74	406.39	8.11	-63.63
CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300005479048	0	51	0.0	-71.67	384.99	7.45	-64.22
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)CC(=O)[O-]	REAL300005479051	0	48	0.0	-70.50	368.27	7.55	-62.95
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)CC(=O)[O-]	REAL300005479051	1	48	0.0	-70.50	368.20	7.54	-62.96
CC(CNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300005479054	1	46	0.0	-64.15	347.26	8.67	-55.48
CC(CNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300005479054	1	46	0.0	-64.12	347.25	8.68	-55.44
CC(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005479077	0	49	0.0	-71.82	377.23	9.34	-62.48
CC(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005479077	1	49	0.0	-71.93	377.01	9.34	-62.59
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)CC(=O)[O-]	REAL300005479093	0	49	0.0	-70.45	379.74	9.38	-61.07
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)CC(=O)[O-]	REAL300005479093	1	49	0.0	-70.17	379.70	9.38	-60.79
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)CC(=O)[O-]	REAL300005479094	1	45	0.0	-61.29	346.78	6.61	-54.68
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)CC(=O)[O-]	REAL300005479094	1	45	0.0	-60.26	345.87	6.40	-53.86
CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)CC(=O)[O-]	REAL300005479096	0	50	0.0	-71.51	382.72	6.86	-64.65
CC(CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)CC(=O)[O-]	REAL300005479116	1	49	0.0	-76.54	369.73	7.56	-68.98
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)CC(=O)[O-]	REAL300005479129	0	54	0.0	-72.88	405.12	8.12	-64.76
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)CC(=O)[O-]	REAL300005479129	1	54	0.0	-75.93	406.19	8.13	-67.80
CC(C)[N@@H+]1CCC(C(=O)NCC(C)CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005479131	0	55	0.0	-68.43	400.09	7.78	-60.65
CC(C)[N@H+]1CCC(C(=O)NCC(C)CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005479131	1	55	0.0	-72.38	410.47	8.13	-64.25
CC(CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300005479132	0	49	0.0	-77.28	368.58	6.50	-70.78
CC(CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300005479132	1	49	0.0	-77.22	368.59	6.50	-70.72
CC(CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)CC(=O)[O-]	REAL300005479135	0	51	0.0	-69.20	389.03	7.02	-62.18
CC(CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)CC(=O)[O-]	REAL300005479136	0	51	0.0	-71.71	388.09	6.84	-64.87
CC(CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)CC(=O)[O-]	REAL300005479136	1	51	0.0	-75.09	388.43	6.90	-68.19
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C1	REAL300005479137	0	52	0.0	-72.00	391.52	8.45	-63.55
CC(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)CC(=O)[O-]	REAL300005479173	0	53	0.0	-77.05	403.58	6.76	-70.29
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005479175	0	49	0.0	-66.46	373.34	9.31	-57.15
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005479175	1	49	0.0	-66.44	373.29	9.31	-57.13
CC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005479220	0	47	0.0	-65.46	365.18	5.53	-59.93
CC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300005479220	1	47	0.0	-65.08	365.40	5.53	-59.55
CC(CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)CC(=O)[O-]	REAL300005479223	0	45	0.0	-62.56	357.52	7.96	-54.60
CC[NH+](CC)C(C(=O)NCC(C)CC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300005479225	0	51	0.0	-63.99	389.61	9.46	-54.53
CC(C)C(C(=O)NCC(C)CC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005479248	1	52	0.0	-60.89	377.09	7.25	-53.64
CC(CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)CC(=O)[O-]	REAL300005479266	1	47	0.0	-76.10	365.14	8.04	-68.06
CC(CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)CC(=O)[O-]	REAL300005479266	1	47	0.0	-76.08	365.16	8.04	-68.04
CC1=CC=C(N2CCC(C(=O)NCC(C)CC(=O)[O-])CC2)[NH+]=C1	REAL300005479310	1	48	0.0	-65.50	366.24	7.19	-58.31
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C2)CC1	REAL300005479313	0	54	0.0	-73.49	398.36	7.96	-65.53
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300005479341	0	49	0.0	-69.30	374.18	9.15	-60.15
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300005479341	1	49	0.0	-69.27	373.71	9.12	-60.15
CC(CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300005479355	0	50	0.0	-74.48	394.69	8.57	-65.91
CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)CC(=O)[O-]	REAL300005479367	0	46	0.0	-71.10	358.34	7.79	-63.31
CC(CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)CC(=O)[O-]	REAL300005479386	0	48	0.0	-67.32	366.20	7.31	-60.01
CC(CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)CC(=O)[O-]	REAL300005479386	1	48	0.0	-64.88	364.82	7.41	-57.47
CC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)CC(=O)[O-]	REAL300005479538	0	50	0.0	-71.62	380.65	9.58	-62.04
CC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)CC(=O)[O-]	REAL300005479538	1	50	0.0	-71.44	383.07	9.53	-61.91
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)CC(=O)[O-]	REAL300005479565	1	49	0.0	-62.13	377.30	9.32	-52.81
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)CC(=O)[O-]	REAL300005479565	1	49	0.0	-66.60	367.82	9.17	-57.43
CC(CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300005479895	0	46	0.0	-73.84	360.14	7.39	-66.45
CC(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300005479944	0	52	0.0	-67.44	391.90	10.04	-57.40
CC(CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)CC(=O)[O-]	REAL300005479946	1	50	0.0	-76.61	377.69	7.76	-68.85
CC(CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)CC(=O)[O-]	REAL300005479946	1	50	0.0	-76.53	377.70	7.77	-68.76
CC(CNC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)CC(=O)[O-]	REAL300005479984	0	58	0.0	-75.10	428.01	10.57	-64.53
CC(CNC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)CC(=O)[O-]	REAL300005479984	1	58	0.0	-75.10	428.01	10.57	-64.53
O=C([O-])C1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCOC1	REAL300005481325	0	51	0.0	-61.74	385.67	8.06	-53.68
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCOC1	REAL300005482102	0	48	0.0	-45.94	364.73	6.95	-38.99
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCOC1	REAL300005482102	1	48	0.0	-49.56	368.34	7.45	-42.11
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCOC1	REAL300005482904	1	48	0.0	-55.08	381.92	7.60	-47.48
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CCOC1	REAL300005482904	1	48	0.0	-53.08	379.09	7.45	-45.63
CC1=[NH+]C=C2CCC(C(=O)NCC3(C(=O)[O-])CCOC3)CN21	REAL300005482996	1	43	0.0	-53.39	332.10	5.55	-47.84
O=C([O-])C1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCOC1	REAL300005482997	0	51	0.0	-50.28	385.35	7.98	-42.30
CC1=NC(C[NH+]2CCC(C(=O)NCC3(C(=O)[O-])CCOC3)CC2)=CS1	REAL300005483062	1	50	0.0	-62.53	393.11	5.82	-56.71
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300005483140	0	54	0.0	-69.05	418.65	7.57	-61.48
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300005483154	0	54	0.0	-71.98	419.45	9.89	-62.09
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300005483154	1	54	0.0	-71.62	419.40	9.90	-61.72
CC1(C(=O)NCC2(C(=O)[O-])CCOC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005483155	0	54	0.0	-61.20	398.18	8.47	-52.73
C[NH+](C)CC1(C(=O)NCC2(C(=O)[O-])CCOC2)CCCCC1	REAL300005483238	0	50	0.0	-46.57	349.09	6.41	-40.16
C[N@H+](CCC(=O)NCC1(C(=O)[O-])CCOC1)C1CCCCC1	REAL300005483241	0	50	0.0	-57.07	362.99	6.40	-50.67
C[N@@H+](CCC(=O)NCC1(C(=O)[O-])CCOC1)C1CCCCC1	REAL300005483241	1	50	0.0	-57.60	362.99	6.41	-51.19
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCOC1	REAL300005483265	1	51	0.0	-52.44	380.89	7.92	-44.52
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCOC1	REAL300005483265	1	51	0.0	-52.52	382.72	8.03	-44.49
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCOC1	REAL300005483266	1	48	0.0	-55.88	371.60	7.14	-48.74
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCOC1	REAL300005483266	1	48	0.0	-53.84	368.76	7.00	-46.84
O=C([O-])C1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCOC1	REAL300005483320	0	44	0.0	-68.55	353.83	5.45	-63.10
C[NH+](C)CCN1N=CC(C(=O)NCC2(C(=O)[O-])CCOC2)=C1C1=CC=CC=C1	REAL300005483325	0	54	0.0	-69.05	417.15	7.71	-61.34
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)CCOC1	REAL300005483351	0	51	0.0	-48.73	361.34	6.58	-42.15
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2C2CCCC2)CCOC1	REAL300005483351	1	51	0.0	-50.42	357.24	6.76	-43.66
O=C([O-])C1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CCOC1	REAL300005483352	0	52	0.0	-65.72	376.30	5.11	-60.61
O=C(CCCC[NH+]1CCOCC1)NCC1(C(=O)[O-])CCOC1	REAL300005483380	1	48	0.0	-65.02	362.85	4.42	-60.60
CC[N@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOC2)C=C1)C(C)C	REAL300005483382	0	53	0.0	-66.58	387.72	7.76	-58.82
CC[N@@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOC2)C=C1)C(C)C	REAL300005483382	1	53	0.0	-66.72	382.09	7.49	-59.23
O=C([O-])C1(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300005483406	0	48	0.0	-59.01	369.16	7.26	-51.75
O=C([O-])C1(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300005483406	1	48	0.0	-57.41	370.20	7.30	-50.11
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CCSC3)CC2)CCOC1	REAL300005483407	0	49	0.0	-63.50	368.40	6.71	-56.79
C[NH+]1CCN(C(C(=O)NCC2(C(=O)[O-])CCOC2)C2=CC=CC=C2)CC1	REAL300005483430	1	53	0.0	-63.28	398.03	6.13	-57.15
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1(C(=O)[O-])CCOC1	REAL300005483431	0	52	0.0	-58.30	361.32	4.67	-53.63
CC(C(=O)NCC1(C(=O)[O-])CCOC1)[N@H+](C)CC1=CC=CC=C1	REAL300005483434	0	47	0.0	-50.81	359.50	6.81	-44.00
CC(C(=O)NCC1(C(=O)[O-])CCOC1)[N@@H+](C)CC1=CC=CC=C1	REAL300005483434	1	47	0.0	-53.93	359.55	6.79	-47.14
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCOC1	REAL300005483444	0	54	0.0	-56.86	401.99	9.07	-47.79
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCOC1	REAL300005483444	1	54	0.0	-54.98	404.50	9.23	-45.75
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOC2)C=N1	REAL300005483475	0	43	0.0	-68.14	338.51	4.46	-63.68
CCC[NH+](CCC)CCCC(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483486	0	52	0.0	-60.34	387.14	7.04	-53.30
O=C([O-])C1(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CCOC1	REAL300005483487	1	52	0.0	-51.74	392.57	4.76	-46.98
CC[N@H+](C)C(C(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CC=C1	REAL300005483488	0	47	0.0	-50.81	358.01	6.94	-43.87
CC[N@@H+](C)C(C(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CC=C1	REAL300005483488	1	47	0.0	-45.97	358.00	6.94	-39.03
CC[NH+](CC)C(C(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CC=C1	REAL300005483493	0	50	0.0	-45.00	364.79	6.99	-38.01
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=C(Cl)C=C1	REAL300005483499	1	44	0.0	-55.48	356.04	6.83	-48.65
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCOC1	REAL300005483513	0	48	0.0	-68.66	367.55	7.46	-61.20
O=C([O-])C1(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCOC1	REAL300005483520	0	51	0.0	-67.81	384.29	8.17	-59.64
CCN1CCC([NH+]2CCC(C(=O)NCC3(C(=O)[O-])CCOC3)CC2)CC1	REAL300005483526	0	59	0.0	-59.20	414.38	5.41	-53.79
CC1C[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCOC3)C=C2)CC(C)O1	REAL300005483533	1	55	0.0	-72.54	417.62	7.19	-65.35
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CCOC1	REAL300005483542	1	52	0.0	-67.47	394.66	7.45	-60.02
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CCOC1	REAL300005483542	1	52	0.0	-68.66	394.85	7.44	-61.22
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCOC1	REAL300005483556	0	51	0.0	-50.45	383.15	7.96	-42.49
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CCOC1	REAL300005483556	1	51	0.0	-49.14	376.31	7.97	-41.17
CC1=C(C(=O)NCC2(C(=O)[O-])CCOC2)C=NN1C1=CC=[NH+]C=C1	REAL300005483558	1	42	0.0	-72.53	338.80	4.69	-67.84
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCOC1	REAL300005483566	0	51	0.0	-69.88	384.29	8.17	-61.71
O=C([O-])C1(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCOC1	REAL300005483578	1	44	0.0	-72.75	347.99	4.91	-67.84
C[NH+](C)CCC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300005483579	0	47	0.0	-73.82	365.23	7.16	-66.66
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCOC1	REAL300005483587	1	49	0.0	-54.97	381.20	7.00	-47.97
O=C([O-])C1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCOC1	REAL300005483587	1	49	0.0	-58.29	377.99	6.98	-51.31
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483593	0	58	0.0	-62.84	431.30	9.80	-53.04
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483593	1	58	0.0	-61.19	424.12	9.53	-51.66
CC(C(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005483601	0	57	0.0	-51.01	417.47	9.17	-41.84
CC(C(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCSCC1	REAL300005483633	1	42	0.0	-53.00	318.81	4.70	-48.30
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483640	0	47	0.0	-56.08	363.72	7.26	-48.82
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483640	1	47	0.0	-56.19	363.72	7.26	-48.93
COCCOCC[N@H+](C)CCC(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483641	0	51	0.0	-57.99	392.71	3.45	-54.54
COCCOCC[N@@H+](C)CCC(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483641	1	51	0.0	-60.12	392.76	3.45	-56.67
C[N@@H+]1CCCC(O)(CC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300005483644	0	45	0.0	-55.29	327.71	3.13	-52.16
C[N@H+]1CCCC(O)(CC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300005483644	1	45	0.0	-61.06	325.02	3.22	-57.84
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1(C(=O)[O-])CCOC1	REAL300005483652	0	56	0.0	-64.78	418.88	6.96	-57.82
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CCOC1	REAL300005483653	1	50	0.0	-56.88	371.29	6.23	-50.65
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CCOC1	REAL300005483653	1	50	0.0	-49.27	369.43	6.11	-43.16
CCCCCC[N@H+](C)CC(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483655	0	49	0.0	-53.62	368.31	6.58	-47.04
CCCCCC[N@@H+](C)CC(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483655	1	49	0.0	-53.57	368.31	6.58	-46.99
C[N@H+](CC(=O)NCC1(C(=O)[O-])CCOC1)C1CCSC1	REAL300005483679	0	42	0.0	-57.11	323.79	5.07	-52.04
C[N@@H+](CC(=O)NCC1(C(=O)[O-])CCOC1)C1CCSC1	REAL300005483679	1	42	0.0	-55.49	323.92	5.04	-50.45
CC(C)[NH+]1CCN(CCC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300005483690	0	52	0.0	-61.58	379.93	4.00	-57.58
CC(C)N1CC[NH+](CCC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300005483690	1	52	0.0	-57.00	376.75	3.83	-53.17
CC(C)[NH+]1CCN(CCCC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300005483691	0	55	0.0	-61.39	401.43	4.80	-56.59
CC(C)N1CC[NH+](CCCC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300005483691	1	55	0.0	-61.04	398.25	4.63	-56.41
C[NH+](C)CCN1C=C(C(=O)NCC2(C(=O)[O-])CCOC2)C=N1	REAL300005483693	0	44	0.0	-72.78	348.90	4.32	-68.46
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3(C(=O)[O-])CCOC3)CC2)=C1	REAL300005483698	0	56	0.0	-61.11	418.79	6.83	-54.28
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1(C(=O)[O-])CCOC1	REAL300005483700	0	53	0.0	-61.09	397.38	6.16	-54.93
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCOC1	REAL300005483704	0	50	0.0	-58.33	374.70	6.54	-51.79
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCOC1	REAL300005483704	1	50	0.0	-60.00	377.00	6.49	-53.51
CC(C(=O)NCC1(C(=O)[O-])CCOC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005483709	1	48	0.0	-48.05	360.63	7.37	-40.68
CC(C(=O)NCC1(C(=O)[O-])CCOC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005483709	1	48	0.0	-50.27	365.47	7.35	-42.92
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCC1(C(=O)[O-])CCOC1	REAL300005483737	0	51	0.0	-60.84	388.12	8.00	-52.84
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NCC1(C(=O)[O-])CCOC1	REAL300005483737	1	51	0.0	-65.75	392.37	8.23	-57.52
C[NH+](C)CCN1C=CC(C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300005483749	0	44	0.0	-72.98	349.27	4.33	-68.65
C[NH+](C)CCN1N=CC=C1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483750	0	44	0.0	-59.61	344.70	4.25	-55.36
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483755	1	45	0.0	-53.43	350.53	6.03	-47.40
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCOC1	REAL300005483769	0	51	0.0	-60.09	386.23	8.45	-51.64
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCOC1	REAL300005483769	1	51	0.0	-59.11	388.53	8.41	-50.70
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CCOC1	REAL300005483770	1	47	0.0	-47.12	365.35	5.89	-41.23
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CCOC1	REAL300005483770	1	47	0.0	-45.39	357.52	5.25	-40.14
CC(C[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483774	0	45	0.0	-59.10	335.92	3.55	-55.55
O=C([O-])C1(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCOC1	REAL300005483775	0	52	0.0	-61.14	395.14	5.58	-55.56
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300005483821	1	51	0.0	-66.90	382.13	6.26	-60.64
O=C([O-])C1(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCOC1	REAL300005483822	0	51	0.0	-55.92	371.77	6.85	-49.07
O=C([O-])C1(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)CCOC1	REAL300005483822	1	51	0.0	-58.30	371.75	6.85	-51.45
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CCOC1	REAL300005483842	0	56	0.0	-71.70	421.43	6.78	-64.92
O=C([O-])C1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CCOC1	REAL300005483842	1	56	0.0	-65.49	416.76	7.23	-58.26
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483849	0	48	0.0	-58.98	345.37	3.92	-55.06
CC(C)[N@@H+]1CCC(C(=O)NCC2(C(=O)[O-])CCOC2)C(C2=CN(C)N=C2)C1	REAL300005483852	0	57	0.0	-64.44	417.01	6.70	-57.74
CC(C)[N@H+]1CCC(C(=O)NCC2(C(=O)[O-])CCOC2)C(C2=CN(C)N=C2)C1	REAL300005483852	1	57	0.0	-62.85	418.29	6.44	-56.41
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2(C(=O)[O-])CCOC2)C=N1	REAL300005483853	0	51	0.0	-64.40	373.16	5.05	-59.35
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2(C(=O)[O-])CCOC2)C=N1	REAL300005483853	1	51	0.0	-71.48	391.11	5.80	-65.68
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3(C(=O)[O-])CCOC3)=C2)CC1	REAL300005483859	0	53	0.0	-65.96	401.42	5.73	-60.23
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300005483860	0	53	0.0	-69.10	400.48	5.55	-63.55
CN1CC[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300005483860	1	53	0.0	-70.55	400.82	5.61	-64.94
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300005483861	0	54	0.0	-67.73	403.91	7.16	-60.57
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCOC1	REAL300005483963	0	55	0.0	-71.10	415.97	5.47	-65.63
C[NH+](C)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300005483967	0	44	0.0	-69.56	342.74	6.31	-63.25
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300005483968	0	51	0.0	-59.86	388.26	8.17	-51.69
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300005483968	1	51	0.0	-58.57	385.55	8.00	-50.57
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005484024	0	44	0.0	-50.98	335.61	6.59	-44.39
CC[NH+]1CCN(CCC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300005484026	0	49	0.0	-61.40	362.03	3.33	-58.07
CCN1CC[NH+](CCC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300005484026	1	49	0.0	-57.08	363.19	3.48	-53.60
CC(C)C(C(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCCCC1	REAL300005484029	0	50	0.0	-50.35	354.81	6.76	-43.59
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CC=C1	REAL300005484030	1	44	0.0	-53.04	339.31	6.31	-46.73
O=C([O-])C1(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300005484034	0	49	0.0	-55.15	377.58	4.24	-50.91
O=C([O-])C1(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300005484034	1	49	0.0	-57.00	377.53	4.24	-52.76
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1(C(=O)[O-])CCOC1	REAL300005484039	1	45	0.0	-52.76	349.99	5.98	-46.78
C[NH+](C)CC1=C(C(=O)NCC2(C(=O)[O-])CCOC2)OC2=CC=CC=C21	REAL300005484040	0	47	0.0	-60.05	363.84	6.64	-53.41
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2C2CCCC2)CCOC1	REAL300005484044	0	48	0.0	-49.57	347.83	6.26	-43.31
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2C2CCCC2)CCOC1	REAL300005484044	1	48	0.0	-52.56	353.04	6.36	-46.20
CC(C)C(C(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CC(C)OC(C)C1	REAL300005484068	1	54	0.0	-49.10	380.43	5.97	-43.13
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(C(=O)[O-])CCOC3)=CC=C1N2	REAL300005484095	1	49	0.0	-76.15	380.05	6.90	-69.25
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(C(=O)[O-])CCOC3)=CC=C1N2	REAL300005484095	1	49	0.0	-76.14	380.26	6.87	-69.27
CC[NH+](CC)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOC2)O1	REAL300005484148	0	47	0.0	-64.91	360.43	5.71	-59.20
CC1=CC=C(N2CCC(C(=O)NCC3(C(=O)[O-])CCOC3)CC2)[NH+]=C1	REAL300005484149	1	50	0.0	-59.32	378.62	5.90	-53.42
C[N@H+](CC(=O)NCC1(C(=O)[O-])CCOC1)CC1=CC=CC=C1	REAL300005484150	1	44	0.0	-55.16	341.24	6.41	-48.75
C[N@@H+](CC(=O)NCC1(C(=O)[O-])CCOC1)CC1=CC=CC=C1	REAL300005484150	1	44	0.0	-54.94	341.25	6.41	-48.53
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300005484153	0	56	0.0	-69.23	410.75	6.68	-62.55
O=C([O-])C1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCOC1	REAL300005484164	1	39	0.0	-70.95	323.88	4.27	-66.68
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005484198	0	51	0.0	-60.18	387.98	7.83	-52.35
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005484198	1	51	0.0	-61.71	390.31	8.16	-53.55
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300005484216	0	52	0.0	-71.37	407.08	7.28	-64.09
C[NH+]1CCC(OCC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300005484231	0	45	0.0	-67.35	344.53	4.91	-62.44
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCOC1	REAL300005484235	0	48	0.0	-64.89	370.73	6.50	-58.39
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2(C(=O)[O-])CCOC2)[C@@H](C(F)(F)F)C1	REAL300005484266	0	50	0.0	-61.35	381.28	6.18	-55.17
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2(C(=O)[O-])CCOC2)[C@@H](C(F)(F)F)C1	REAL300005484266	1	50	0.0	-46.73	377.45	6.08	-40.65
O=C([O-])C1(CNC(=O)C[NH+]2CCC(CO)CC2)CCOC1	REAL300005484426	1	45	0.0	-53.03	338.37	2.00	-51.03
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CCOC1	REAL300005484511	0	52	0.0	-63.02	396.17	8.45	-54.57
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CCOC1	REAL300005484511	1	52	0.0	-52.33	394.61	8.28	-44.05
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCOC1	REAL300005484543	1	51	0.0	-55.24	389.44	8.01	-47.23
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CCOC1	REAL300005484543	1	51	0.0	-51.35	382.92	8.02	-43.33
C[N@@H+]1CC(C(=O)NCC2(C(=O)[O-])CCOC2)C(C(F)(F)F)C1	REAL300005484626	0	41	0.0	-66.16	317.42	5.08	-61.08
C[N@H+]1CC(C(=O)NCC2(C(=O)[O-])CCOC2)C(C(F)(F)F)C1	REAL300005484626	1	41	0.0	-63.36	320.75	4.64	-58.72
C[NH+](C)CCC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300005485059	0	47	0.0	-73.83	368.52	7.00	-66.83
C[NH+](C)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300005485065	0	48	0.0	-69.87	372.52	6.09	-63.78
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1(C(=O)[O-])CCOC1	REAL300005485144	0	54	0.0	-64.83	404.02	8.71	-56.12
CC1C[N@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCOC3)C=C2)CCO1	REAL300005485146	1	52	0.0	-71.77	390.09	6.48	-65.29
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCOC3)C=C2)CCO1	REAL300005485146	1	52	0.0	-71.60	390.02	6.47	-65.13
CC(C)C[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300005485230	0	50	0.0	-55.89	366.08	6.72	-49.17
CC(C)C[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300005485230	1	50	0.0	-55.89	366.08	6.72	-49.17
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300005485238	0	50	0.0	-65.22	349.17	5.51	-59.71
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300005485238	1	50	0.0	-65.22	349.17	5.51	-59.71
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005485320	0	48	0.0	-70.69	378.52	8.41	-62.28
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC=CC(C(F)(F)F)=N1	REAL300005485447	0	44	0.0	-51.94	360.04	6.54	-45.40
COC1=CC(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=CC(OC)=C1	REAL300005485571	0	58	0.0	-47.27	423.45	9.11	-38.16
COC1=CC(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=CC(OC)=C1	REAL300005485571	1	58	0.0	-47.27	423.45	9.11	-38.16
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN3C=C(C(F)(F)F)N=C3C2)C1	REAL300005485691	0	44	0.0	-55.33	355.05	8.49	-46.84
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC3=CC=C(Cl)C=C3)CC2)C1	REAL300005485819	0	52	0.0	-49.49	404.16	9.86	-39.63
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC3=CC=C(Cl)C=C3)CC2)C1	REAL300005485819	1	52	0.0	-49.49	404.16	9.86	-39.63
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3C=C(Cl)C=N3)C(Cl)=C2)C1	REAL300005485929	0	44	0.0	-57.94	382.82	9.74	-48.20
N#CC1=CC=C(CC2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300005486040	0	54	0.0	-48.75	406.07	11.64	-37.11
N#CC1=CC=C(CC2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300005486040	1	54	0.0	-51.55	412.77	12.10	-39.45
CC1=NN(C2=CC=C(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=N2)C=C1	REAL300005486170	0	49	0.0	-52.47	388.00	8.48	-43.99
CC1=NN(C2=CC=C(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=N2)C=C1	REAL300005486170	1	49	0.0	-55.05	394.20	8.50	-46.55
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486223	0	48	0.0	-72.89	358.80	6.34	-66.55
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486223	1	48	0.0	-70.50	355.48	5.90	-64.60
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300005486224	0	52	0.0	-82.64	389.89	6.61	-76.03
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300005486224	1	52	0.0	-78.23	386.58	6.18	-72.05
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300005486225	0	48	0.0	-85.36	358.79	6.33	-79.03
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300005486225	1	48	0.0	-80.78	355.50	5.90	-74.88
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])S2)CC1	REAL300005486226	0	45	0.0	-65.89	353.10	5.49	-60.40
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300005486227	0	47	0.0	-59.61	356.93	4.61	-55.00
CC(SC1=CC=CC=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300005486228	0	55	0.0	-84.19	411.18	7.92	-76.27
CC(SC1=CC=CC=C1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300005486228	1	55	0.0	-77.71	408.24	7.64	-70.07
CCOC1=CC(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)=CC=C1OCC(=O)[O-]	REAL300005486229	0	59	0.0	-78.50	440.88	7.29	-71.21
CCOC1=CC(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)=CC=C1OCC(=O)[O-]	REAL300005486229	1	59	0.0	-76.44	437.57	6.85	-69.59
C[NH+]1CCN(C(C)(C)CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486230	0	54	0.0	-77.97	404.87	7.82	-70.15
CN1CC[NH+](C(C)(C)CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486230	1	54	0.0	-75.29	401.56	7.40	-67.89
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300005486231	0	47	0.0	-86.81	354.90	4.56	-82.25
C[NH+]1CCN(C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486232	0	52	0.0	-77.78	393.33	7.52	-70.26
CN1CC[NH+](C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486232	1	52	0.0	-75.30	390.02	7.09	-68.21
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300005486233	0	50	0.0	-74.44	386.97	6.99	-67.45
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300005486234	0	50	0.0	-74.44	386.97	6.99	-67.45
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C=C1	REAL300005486235	0	58	0.0	-78.51	433.18	7.65	-70.86
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C=C1	REAL300005486235	1	58	0.0	-78.34	430.49	7.46	-70.88
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300005486236	0	55	0.0	-73.37	416.88	7.33	-66.04
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300005486237	0	45	0.0	-60.42	345.24	4.72	-55.70
C[NH+]1CCN(C(C)(C)CNC(=O)CCC2=CC=CC=C2C(=O)[O-])CC1	REAL300005486238	0	54	0.0	-76.40	396.15	7.57	-68.83
CN1CC[NH+](C(C)(C)CNC(=O)CCC2=CC=CC=C2C(=O)[O-])CC1	REAL300005486238	1	54	0.0	-64.00	392.67	7.14	-56.86
CC1=CC(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300005486239	0	58	0.0	-75.93	433.91	8.17	-67.76
CC1=CC(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300005486239	1	58	0.0	-73.69	430.59	7.73	-65.96
C[NH+]1CCN(C(C)(C)CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300005486240	0	51	0.0	-87.60	383.48	7.00	-80.60
CN1CC[NH+](C(C)(C)CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300005486240	1	51	0.0	-81.11	380.17	6.58	-74.53
C[NH+]1CCN(C(C)(C)CNC(=O)C2CCCC(C(=O)[O-])C2)CC1	REAL300005486241	0	54	0.0	-85.20	377.78	6.17	-79.03
CN1CC[NH+](C(C)(C)CNC(=O)C2CCCC(C(=O)[O-])C2)CC1	REAL300005486241	1	54	0.0	-80.36	375.08	5.98	-74.38
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300005486242	0	47	0.0	-71.71	354.06	4.32	-67.39
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300005486243	0	47	0.0	-63.56	356.19	4.59	-58.97
C[NH+]1CCN(C(C)(C)CNC(=O)CC(C)(C)CC(=O)[O-])CC1	REAL300005486244	0	53	0.0	-73.90	367.97	5.76	-68.14
CN1CC[NH+](C(C)(C)CNC(=O)CC(C)(C)CC(=O)[O-])CC1	REAL300005486244	1	53	0.0	-69.32	364.74	5.34	-63.98
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300005486245	0	48	0.0	-73.50	363.30	6.41	-67.09
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CN=C(C(=O)[O-])C=N2)CC1	REAL300005486246	0	46	0.0	-65.96	351.77	2.73	-63.23
C[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300005486247	0	54	0.0	-73.62	384.91	6.57	-67.05
CN1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300005486247	1	54	0.0	-70.54	381.28	6.13	-64.41
C[NH+]1CCN(C(C)(C)CNC(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300005486248	0	54	0.0	-76.66	378.40	6.43	-70.23
CN1CC[NH+](C(C)(C)CNC(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300005486248	1	54	0.0	-71.79	375.08	5.98	-65.81
C[NH+]1CCN(C(C)(C)CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486249	0	51	0.0	-86.79	383.47	7.02	-79.77
CN1CC[NH+](C(C)(C)CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486249	1	51	0.0	-83.30	380.16	6.59	-76.71
C[NH+]1CCN(C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005486250	0	47	0.0	-87.72	360.63	2.99	-84.73
CN1CC[NH+](C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005486250	1	47	0.0	-83.73	357.31	2.55	-81.18
CC1=NC(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300005486251	0	50	0.0	-64.02	372.49	5.12	-58.90
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300005486252	0	48	0.0	-77.39	380.09	6.93	-70.46
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300005486252	1	48	0.0	-72.95	376.78	6.51	-66.44
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486253	0	48	0.0	-72.89	358.80	6.34	-66.55
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486253	1	48	0.0	-70.50	355.48	5.90	-64.60
C[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300005486254	0	51	0.0	-78.58	366.10	5.88	-72.70
CN1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300005486254	1	51	0.0	-75.39	362.90	5.49	-69.90
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300005486255	0	51	0.0	-80.37	380.97	7.09	-73.28
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300005486255	1	51	0.0	-74.39	377.77	6.67	-67.72
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300005486256	0	58	0.0	-82.60	424.85	9.70	-72.90
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300005486256	1	58	0.0	-66.55	421.65	9.25	-57.30
C[NH+]1CCN(C(C)(C)CNC(=O)C2=C(CC(=O)[O-])OC=C2)CC1	REAL300005486257	0	48	0.0	-81.70	361.26	5.25	-76.45
CC1=COC(CC(=O)[O-])=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486258	0	51	0.0	-74.44	388.10	5.86	-68.58
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300005486259	0	47	0.0	-73.97	356.40	4.61	-69.36
C[NH+]1CCN(C(C)(C)CNC(=O)C23CC(C(=O)[O-])(C2)C3)CC1	REAL300005486260	0	49	0.0	-71.49	362.22	5.89	-65.60
CN1CC[NH+](C(C)(C)CNC(=O)C23CC(C(=O)[O-])(C2)C3)CC1	REAL300005486260	1	49	0.0	-67.52	358.74	5.49	-62.03
C[NH+]1CCN(C(C)(C)CNC(=O)CC2CCC(C(=O)[O-])CC2)CC1	REAL300005486261	0	57	0.0	-81.34	403.60	7.27	-74.07
CN1CC[NH+](C(C)(C)CNC(=O)CC2CCC(C(=O)[O-])CC2)CC1	REAL300005486261	1	57	0.0	-77.16	400.29	6.84	-70.32
C[NH+]1CCN(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	REAL300005486262	0	55	0.0	-83.16	392.78	6.72	-76.44
CN1CC[NH+](C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	REAL300005486262	1	55	0.0	-79.65	389.46	6.30	-73.35
C[NH+]1CCN(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300005486263	0	58	0.0	-74.60	401.75	6.99	-67.61
CN1CC[NH+](C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300005486263	1	58	0.0	-73.15	399.06	6.81	-66.34
C[NH+]1CCN(C(C)(C)CNC(=O)CC(C)(C)CC(=O)[O-])CC1	REAL300005486264	0	53	0.0	-73.90	367.97	5.76	-68.14
CN1CC[NH+](C(C)(C)CNC(=O)CC(C)(C)CC(=O)[O-])CC1	REAL300005486264	1	53	0.0	-69.32	364.74	5.34	-63.98
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300005486265	0	50	0.0	-73.31	380.65	5.64	-67.67
C[NH+]1CCN(C(C)(C)CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300005486266	0	55	0.0	-86.93	410.94	7.03	-79.90
CN1CC[NH+](C(C)(C)CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300005486266	1	55	0.0	-74.98	407.64	6.62	-68.36
C[NH+]1CCN(C(C)(C)CNC(=O)C2=NOC(C(=O)[O-])=C2)CC1	REAL300005486267	0	44	0.0	-62.46	339.68	3.90	-58.56
C[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CCCC2)CC1	REAL300005486268	0	51	0.0	-66.96	362.34	5.77	-61.19
CN1CC[NH+](C(C)(C)CNC(=O)C2(C(=O)[O-])CCCC2)CC1	REAL300005486268	1	51	0.0	-50.12	357.29	5.53	-44.59
C[NH+]1CCN(C(C)(C)CNC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300005486269	0	61	0.0	-68.30	437.69	9.22	-59.08
CN1CC[NH+](C(C)(C)CNC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300005486269	1	61	0.0	-67.03	433.96	8.78	-58.25
CC1=C(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C=C(C(=O)[O-])O1	REAL300005486270	0	48	0.0	-64.89	361.92	5.47	-59.42
CC1=C(C(=O)[O-])OC(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)=C1	REAL300005486271	0	48	0.0	-60.79	363.14	5.30	-55.49
C[NH+]1CCN(C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300005486272	0	48	0.0	-84.03	365.54	4.48	-79.55
CN1CC[NH+](C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300005486272	1	48	0.0	-79.46	362.23	4.05	-75.41
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300005486273	0	49	0.0	-63.13	378.34	5.91	-57.22
C[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300005486274	0	55	0.0	-63.34	389.32	6.79	-56.55
CN1CC[NH+](C(C)(C)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300005486274	1	55	0.0	-40.88	386.64	6.60	-34.28
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300005486275	0	52	0.0	-73.44	389.81	6.63	-66.81
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300005486275	1	52	0.0	-70.84	386.50	6.17	-64.67
C[NH+]1CCN(C(C)(C)CNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300005486276	0	57	0.0	-86.65	426.30	6.66	-79.99
CN1CC[NH+](C(C)(C)CNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300005486276	1	57	0.0	-80.98	423.80	6.48	-74.50
C[NH+]1CCN(C(C)(C)CNC(=O)CCSCC(=O)[O-])CC1	REAL300005486277	0	48	0.0	-71.61	368.64	5.53	-66.08
CN1CC[NH+](C(C)(C)CNC(=O)CCSCC(=O)[O-])CC1	REAL300005486277	1	48	0.0	-67.79	365.42	5.10	-62.69
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300005486278	0	47	0.0	-63.56	356.19	4.59	-58.97
CN1N=C(C(=O)[O-])C=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486279	0	48	0.0	-82.98	357.90	4.20	-78.78
C[C@@H]1C[C@H](C(=O)NCC(C)(C)N2CC[NH+](C)CC2)O[C@H]1C(=O)[O-]	REAL300005486280	0	52	0.0	-83.63	381.04	5.84	-77.79
C[C@@H]1C[C@H](C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)O[C@H]1C(=O)[O-]	REAL300005486280	1	52	0.0	-76.67	377.92	5.43	-71.24
C[NH+]1CCN(C(C)(C)CNC(=O)C(C)(C)CCC(=O)[O-])CC1	REAL300005486281	0	53	0.0	-80.28	376.77	5.89	-74.39
CN1CC[NH+](C(C)(C)CNC(=O)C(C)(C)CCC(=O)[O-])CC1	REAL300005486281	1	53	0.0	-74.73	373.55	5.46	-69.27
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300005486282	0	51	0.0	-72.47	380.99	7.11	-65.36
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300005486282	1	51	0.0	-66.38	377.67	6.67	-59.71
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300005486283	0	52	0.0	-74.69	390.88	7.64	-67.05
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300005486283	1	52	0.0	-72.66	387.57	7.19	-65.47
C[NH+]1CCN(C(C)(C)CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC1	REAL300005486284	0	49	0.0	-74.92	377.88	5.78	-69.14
CN1CC[NH+](C(C)(C)CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC1	REAL300005486284	1	49	0.0	-71.09	374.57	5.35	-65.74
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC=C2CCC(=O)[O-])CC1	REAL300005486285	0	54	0.0	-84.56	393.72	7.89	-76.67
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=CC=C2CCC(=O)[O-])CC1	REAL300005486285	1	54	0.0	-76.53	390.54	7.43	-69.10
C[NH+]1CCN(C(C)(C)CNC(=O)COCC2=C(C(=O)[O-])N=CO2)CC1	REAL300005486286	0	51	0.0	-87.47	391.58	2.08	-85.39
CN1CC[NH+](C(C)(C)CNC(=O)COCC2=C(C(=O)[O-])N=CO2)CC1	REAL300005486286	1	51	0.0	-79.45	388.27	1.65	-77.80
C[NH+]1CCN(C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300005486287	0	49	0.0	-68.95	378.79	5.91	-63.04
CN1CC[NH+](C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300005486287	1	49	0.0	-64.82	376.10	5.70	-59.12
C[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300005486288	0	51	0.0	-78.58	366.10	5.88	-72.70
CN1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300005486288	1	51	0.0	-75.39	362.90	5.49	-69.90
CC1=CC=C(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300005486289	0	51	0.0	-85.54	374.87	6.89	-78.65
CC1=CC=C(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C=C1C(=O)[O-]	REAL300005486289	1	51	0.0	-80.58	371.58	6.46	-74.12
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300005486290	0	47	0.0	-76.06	353.97	4.54	-71.52
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486291	0	50	0.0	-58.91	370.26	5.19	-53.72
C[NH+]1CCN(C(C)(C)CNC(=O)CN2C=CC(C(=O)[O-])=N2)CC1	REAL300005486292	0	48	0.0	-93.48	364.86	4.49	-88.99
CN1CC[NH+](C(C)(C)CNC(=O)CN2C=CC(C(=O)[O-])=N2)CC1	REAL300005486292	1	48	0.0	-88.80	361.57	4.07	-84.73
C[NH+]1CCN(C(C)(C)CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC1	REAL300005486293	0	54	0.0	-94.35	408.49	5.87	-88.48
CN1CC[NH+](C(C)(C)CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC1	REAL300005486293	1	54	0.0	-89.67	405.18	5.45	-84.22
C[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	REAL300005486294	0	55	0.0	-82.78	402.45	6.19	-76.59
CN1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	REAL300005486294	1	55	0.0	-79.08	399.05	5.82	-73.26
C[NH+]1CCN(C(C)(C)CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	REAL300005486295	0	55	0.0	-77.03	401.60	5.14	-71.89
CN1CC[NH+](C(C)(C)CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	REAL300005486295	1	55	0.0	-70.58	398.39	4.72	-65.86
CC1=C(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)OC(C(=O)[O-])=C1	REAL300005486296	0	48	0.0	-60.72	363.02	5.40	-55.32
C[NH+]1CCN(C(C)(C)CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC1	REAL300005486297	0	56	0.0	-64.03	380.22	7.54	-56.49
CN1CC[NH+](C(C)(C)CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC1	REAL300005486297	1	56	0.0	-43.02	377.64	7.33	-35.69
C[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300005486298	0	54	0.0	-85.64	374.81	6.87	-78.77
CN1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300005486298	1	54	0.0	-66.53	368.86	6.67	-59.86
C[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300005486300	0	55	0.0	-52.23	398.11	7.92	-44.31
CN1CC[NH+](C(C)(C)CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300005486300	1	55	0.0	-38.26	395.50	7.72	-30.54
C[NH+]1CCN(C(C)(C)CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300005486301	0	55	0.0	-86.93	410.94	7.03	-79.90
CN1CC[NH+](C(C)(C)CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300005486301	1	55	0.0	-74.98	407.64	6.62	-68.36
C[NH+]1CCN(C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300005486302	0	55	0.0	-92.61	416.83	8.46	-84.15
CN1CC[NH+](C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300005486302	1	55	0.0	-92.74	413.51	8.03	-84.71
C[NH+]1CCN(C(C)(C)CNC(=O)C2CC3(CC3C(=O)[O-])C2)CC1	REAL300005486303	0	52	0.0	-86.93	376.75	7.49	-79.44
CN1CC[NH+](C(C)(C)CNC(=O)C2CC3(CC3C(=O)[O-])C2)CC1	REAL300005486303	1	52	0.0	-71.82	379.28	6.32	-65.50
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486304	0	54	0.0	-82.29	391.44	7.14	-75.15
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1	REAL300005486304	1	54	0.0	-74.89	386.26	7.07	-67.82
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486305	0	51	0.0	-61.02	374.85	7.00	-54.02
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1	REAL300005486305	1	51	0.0	-55.20	371.02	6.61	-48.59
C[NH+]1CCN(C(C)(C)CNC(=O)C2CC(C)(C(=O)[O-])C2)CC1	REAL300005486306	0	51	0.0	-67.00	367.80	5.64	-61.36
CN1CC[NH+](C(C)(C)CNC(=O)C2CC(C)(C(=O)[O-])C2)CC1	REAL300005486306	1	51	0.0	-60.73	364.66	5.31	-55.42
C[NH+]1CCN(C(C)(C)CNC(=O)C2=C(C(=O)[O-])SC=C2)CC1	REAL300005486307	0	45	0.0	-86.25	346.19	6.30	-79.95
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=NN2)CC1	REAL300005486308	0	45	0.0	-77.38	342.67	2.75	-74.63
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486309	0	50	0.0	-72.96	364.35	5.06	-67.90
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486310	0	51	0.0	-72.38	374.84	7.00	-65.38
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1	REAL300005486310	1	51	0.0	-70.85	371.57	6.57	-64.28
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300005486311	0	48	0.0	-71.83	371.26	6.83	-65.00
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300005486311	1	48	0.0	-69.57	367.98	6.41	-63.16
C[NH+]1CCN(C(C)(C)CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005486312	0	55	0.0	-77.09	399.76	7.19	-69.90
CN1CC[NH+](C(C)(C)CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300005486312	1	55	0.0	-73.36	396.45	6.76	-66.60
COC1=CC(C(=O)[O-])=NC(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)=C1	REAL300005486313	0	51	0.0	-57.92	386.63	3.92	-54.00
CN1C(C(=O)[O-])=CC=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486314	0	49	0.0	-65.02	358.25	5.44	-59.58
CN1C(C(=O)[O-])=CC=C1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1	REAL300005486314	1	49	0.0	-61.32	355.27	5.23	-56.09
C[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC=CC2)CC1	REAL300005486315	0	49	0.0	-66.21	354.65	5.63	-60.58
CN1CC[NH+](C(C)(C)CNC(=O)C2(C(=O)[O-])CC=CC2)CC1	REAL300005486315	1	49	0.0	-43.95	351.98	5.44	-38.51
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300005486316	0	54	0.0	-73.52	402.39	7.91	-65.61
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300005486316	1	54	0.0	-70.18	399.07	7.48	-62.70
CC1=NNC(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)=C1C(=O)[O-]	REAL300005486317	0	48	0.0	-79.26	354.36	4.15	-75.11
C[NH+]1CCN(C(C)(C)CNC(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300005486318	0	51	0.0	-63.78	369.68	6.00	-57.78
CN1CC[NH+](C(C)(C)CNC(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300005486318	1	51	0.0	-56.55	366.87	5.55	-51.00
C[NH+]1CCN(C(C)(C)CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300005486319	0	52	0.0	-82.50	388.40	7.52	-74.98
CN1CC[NH+](C(C)(C)CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300005486319	1	52	0.0	-70.40	389.57	6.40	-64.00
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CSC(C(=O)[O-])=N2)CC1	REAL300005486320	0	44	0.0	-57.76	348.48	3.48	-54.28
CC1=C(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C=C(C(=O)[O-])S1	REAL300005486321	0	48	0.0	-61.68	368.05	6.17	-55.51
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300005486322	0	48	0.0	-75.23	388.60	6.90	-68.33
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)=C1	REAL300005486323	0	52	0.0	-77.85	396.49	6.02	-71.83
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486324	0	51	0.0	-69.04	386.67	6.63	-62.41
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300005486325	0	51	0.0	-85.70	393.95	7.60	-78.10
C[NH+]1CCN(C(C)(C)CNC(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300005486326	0	53	0.0	-81.28	392.35	5.81	-75.47
CN1CC[NH+](C(C)(C)CNC(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300005486326	1	53	0.0	-65.78	388.78	5.34	-60.44
C[NH+]1CCN(C(C)(C)CNC(=O)C23CC(C(=O)[O-])(C2)CO3)CC1	REAL300005486327	0	50	0.0	-67.13	369.36	3.83	-63.30
C[NH+]1CCN(C(C)(C)CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486328	0	52	0.0	-77.75	393.31	7.51	-70.24
CN1CC[NH+](C(C)(C)CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005486328	1	52	0.0	-75.34	390.02	7.09	-68.25
C[NH+]1CCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300005486329	0	55	0.0	-63.34	389.32	6.79	-56.55
CN1CC[NH+](C(C)(C)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300005486329	1	55	0.0	-40.88	386.64	6.60	-34.28
CN1N=CC(C(=O)[O-])=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486330	0	48	0.0	-84.52	351.77	5.07	-79.45
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300005486331	0	49	0.0	-62.03	383.97	5.35	-56.68
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300005486331	1	49	0.0	-57.76	380.66	4.91	-52.85
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300005486332	0	49	0.0	-73.57	384.14	5.47	-68.10
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300005486332	1	49	0.0	-72.37	380.85	5.04	-67.33
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300005486333	0	49	0.0	-63.58	375.33	4.49	-59.09
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300005486333	1	49	0.0	-60.10	372.02	4.05	-56.05
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486334	0	51	0.0	-79.50	368.64	6.72	-72.78
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1	REAL300005486334	1	51	0.0	-78.36	365.37	6.49	-71.87
C[NH+]1CCN(C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300005486335	0	51	0.0	-78.62	389.10	5.74	-72.88
CN1CC[NH+](C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300005486335	1	51	0.0	-76.38	385.78	5.31	-71.07
C=C1CCC1(C(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486336	0	49	0.0	-54.81	358.92	5.79	-49.02
C=C1CCC1(C(=O)[O-])C(=O)NCC(C)(C)[NH+]1CCN(C)CC1	REAL300005486336	1	49	0.0	-43.00	355.68	5.37	-37.63
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300005486337	0	45	0.0	-79.95	352.00	5.34	-74.61
C[NH+]1CCN(C(C)(C)CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300005486338	0	53	0.0	-66.06	378.91	4.76	-61.30
CN1CC[NH+](C(C)(C)CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300005486338	1	53	0.0	-55.52	374.87	4.55	-50.97
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300005486339	0	54	0.0	-79.62	394.82	8.42	-71.20
CN1CC[NH+](C(C)(C)CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300005486339	1	54	0.0	-78.83	391.40	7.96	-70.87
CC(C)[C@]1(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@H]1C(=O)[O-]	REAL300005486340	0	54	0.0	-85.95	387.55	6.12	-79.83
CC(C)[C@]1(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@H]1C(=O)[O-]	REAL300005486340	1	54	0.0	-37.99	381.62	6.19	-31.80
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(C)(C)N1CC[NH+](C)CC1	REAL300005486341	0	54	0.0	-87.95	400.17	7.47	-80.48
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(C)(C)[NH+]1CCN(C)CC1	REAL300005486341	1	54	0.0	-85.32	396.87	7.05	-78.27
C[NH+]1CCN(C(C)(C)CNC(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300005486342	0	48	0.0	-85.70	375.02	6.15	-79.55
CN1CC[NH+](C(C)(C)CNC(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300005486342	1	48	0.0	-80.03	371.71	5.72	-74.31
C[NH+]1CCN(C(C)(C)CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300005486343	0	51	0.0	-89.95	388.02	7.04	-82.91
CN1CC[NH+](C(C)(C)CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300005486343	1	51	0.0	-86.74	384.71	6.61	-80.13
C[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1	REAL300005486344	0	51	0.0	-66.51	365.46	5.87	-60.64
CN1CC[NH+](C(C)(C)CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1	REAL300005486344	1	51	0.0	-57.81	363.10	5.50	-52.31
C[NH+]1CCN(C(C)(C)CNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300005486345	0	55	0.0	-66.18	407.81	7.87	-58.31
C[NH+]1CCN(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300005486346	0	58	0.0	-74.60	401.75	6.99	-67.61
CN1CC[NH+](C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300005486346	1	58	0.0	-73.15	399.06	6.81	-66.34
O=C([O-])C1=NNC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300005487607	0	44	0.0	-91.45	350.84	8.20	-83.25
O=C([O-])C1=NNC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300005488367	1	41	0.0	-81.84	334.99	7.64	-74.20
O=C([O-])C1=NNC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300005488367	1	41	0.0	-80.89	333.68	7.64	-73.25
O=C([O-])C1=NNC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300005489121	0	44	0.0	-80.39	344.34	7.59	-72.80
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC(C(=O)[O-])=NN3)CC2)=CS1	REAL300005489180	1	43	0.0	-87.28	358.35	6.27	-81.01
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC(C(=O)[O-])=NN2)C=C1	REAL300005489235	0	47	0.0	-87.66	383.84	7.73	-79.93
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=NNC(C(=O)[O-])=C2)C=C1	REAL300005489235	1	47	0.0	-74.94	384.45	7.52	-67.42
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC(C(=O)[O-])=NN2)=C1	REAL300005489247	0	47	0.0	-87.75	384.62	10.06	-77.69
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC(C(=O)[O-])=NN2)=C1	REAL300005489247	1	47	0.0	-87.71	384.51	10.06	-77.65
CC1(C(=O)NC2=CC(C(=O)[O-])=NN2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005489248	0	47	0.0	-78.06	363.52	8.60	-69.46
O=C([O-])C1=NNC(NC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300005489285	0	44	0.0	-76.91	365.15	8.27	-68.64
O=C([O-])C1=NNC(NC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300005489285	1	44	0.0	-79.38	366.06	8.43	-70.95
O=C([O-])C1=NNC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300005489380	0	37	0.0	-87.03	319.00	5.62	-81.41
C[NH+](C)CCN1N=CC(C(=O)NC2=CC(C(=O)[O-])=NN2)=C1C1=CC=CC=C1	REAL300005489385	0	47	0.0	-88.73	387.21	7.80	-80.93
C[NH+](C)CCN1N=CC(C(=O)NC2=NNC(C(=O)[O-])=C2)=C1C1=CC=CC=C1	REAL300005489385	1	47	0.0	-76.17	387.81	7.61	-68.56
O=C([O-])C1=NNC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300005489409	0	44	0.0	-77.56	322.42	6.89	-70.67
O=C([O-])C1=NNC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300005489409	1	44	0.0	-77.46	322.43	6.89	-70.57
O=C([O-])C1=NNC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300005489410	0	45	0.0	-76.87	334.97	5.09	-71.78
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2)C=C1)C(C)C	REAL300005489430	0	46	0.0	-91.10	348.41	7.72	-83.38
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2)C=C1)C(C)C	REAL300005489430	1	46	0.0	-88.65	347.26	7.64	-81.01
CC[N@H+](CC1=CC=C(C(=O)NC2=NNC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300005489430	1	46	0.0	-75.17	353.50	7.71	-67.46
CC[N@@H+](CC1=CC=C(C(=O)NC2=NNC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300005489430	1	46	0.0	-78.71	348.65	7.63	-71.08
O=C([O-])C1=NNC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300005489451	0	41	0.0	-84.52	334.49	7.40	-77.12
O=C([O-])C1=NNC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300005489451	1	41	0.0	-85.19	334.52	7.47	-77.72
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C[N@@H+]1CCCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005504189	0	41	0.0	-75.86	315.41	8.33	-67.53
C[N@H+]1CCCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005504189	1	41	0.0	-71.59	323.01	8.63	-62.96
CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)N1CC[NH+](C)CC1	REAL300005504190	1	46	0.0	-77.05	350.09	6.60	-70.45
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005504234	0	41	0.0	-68.51	323.06	8.64	-59.87
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CC[N@H+](CC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=C1)C(C)C	REAL300005504526	0	53	0.0	-78.27	399.96	11.53	-66.74
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=C1)C(C)C	REAL300005504526	1	53	0.0	-78.00	397.41	11.38	-66.62
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CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[N@H+](C)CC1=CC=CC=C1	REAL300005504609	0	47	0.0	-73.19	375.78	11.03	-62.16
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CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+]1CCSCC1	REAL300005504824	1	42	0.0	-73.72	333.89	8.72	-65.00
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C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005504832	1	47	0.0	-79.12	381.83	11.49	-67.63
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C[N@H+]1CCCC(O)(CC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005504838	1	45	0.0	-74.86	340.43	7.34	-67.52
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CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005504934	1	48	0.0	-78.62	375.96	11.37	-67.25
CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[N@H+]1CCC2=CC=CC=C2C1	REAL300005504934	1	48	0.0	-74.29	373.47	11.29	-63.00
CCCC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+](C)C	REAL300005504955	0	43	0.0	-74.68	334.40	8.88	-65.80
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O=C([O-])C1=CC2=C(CN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005504957	1	51	0.0	-79.59	408.30	12.36	-67.23
C[NH+](C)CCN1C=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=N1	REAL300005504972	0	44	0.0	-82.73	364.23	8.91	-73.82
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005504973	0	44	0.0	-72.59	358.95	8.27	-64.32
C[C@@H]1[C@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC[N@@H+]1C	REAL300005504979	0	41	0.0	-73.61	318.92	8.39	-65.22
C[C@@H]1[C@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC[N@H+]1C	REAL300005504979	1	41	0.0	-73.84	323.87	8.28	-65.56
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005504981	1	45	0.0	-68.69	368.65	10.33	-58.36
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC[N@@H+]1C	REAL300005504984	0	44	0.0	-74.41	340.65	8.73	-65.68
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC[N@H+]1C	REAL300005504984	1	44	0.0	-73.52	347.80	9.32	-64.20
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=NN1	REAL300005504987	1	45	0.0	-80.70	365.73	8.44	-72.26
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=NN1	REAL300005504987	1	45	0.0	-79.56	366.09	8.42	-71.14
CC1C[N@H+](C)CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)O1	REAL300005504996	1	42	0.0	-85.45	329.45	7.64	-77.81
CC1C[N@@H+](C)CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)O1	REAL300005504996	1	42	0.0	-85.00	336.68	8.06	-76.94
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)CC2)S1	REAL300005505002	1	47	0.0	-68.14	375.96	9.57	-58.57
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)CC2)S1	REAL300005505002	1	47	0.0	-69.96	374.60	9.36	-60.60
CC1=[NH+]C=CN1CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505006	1	36	0.0	-71.65	311.09	8.64	-63.01
CC(C[NH+]1CCOCC1)C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505008	0	45	0.0	-76.27	349.52	7.54	-68.73
CC1CC[NH+](CC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005505023	0	44	0.0	-74.95	345.63	9.54	-65.41
CC[N@@H+]1CCOC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005505036	1	42	0.0	-82.59	326.86	7.83	-74.76
CC[N@H+]1CCOC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005505036	1	42	0.0	-78.78	326.30	7.78	-71.00
O=C([O-])C1=CC2=C(CN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)CC2)S1	REAL300005505075	0	51	0.0	-73.78	384.72	10.87	-62.91
O=C([O-])C1=CC2=C(CN(C(=O)C3CC[N@H+](C4CCCCC4)C3)CC2)S1	REAL300005505075	1	51	0.0	-75.91	384.71	10.80	-65.11
C[N@@H+]1CCCC1CCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505082	0	44	0.0	-74.93	344.50	9.15	-65.78
C[N@H+]1CCCC1CCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505082	1	44	0.0	-73.90	344.69	9.16	-64.74
O=C([O-])C1=CC2=C(CN(C(=O)C34CCC[NH+](CCC3)C4)CC2)S1	REAL300005505095	0	45	0.0	-82.69	330.58	8.75	-73.94
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505097	0	42	0.0	-72.70	322.24	4.43	-68.27
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505097	1	42	0.0	-69.69	319.22	4.68	-65.01
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)S1	REAL300005505098	0	45	0.0	-68.32	342.04	9.54	-58.78
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC4CCCC[N@H+]43)CC2)S1	REAL300005505098	1	45	0.0	-70.64	342.55	9.53	-61.11
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505105	0	48	0.0	-75.34	354.94	7.69	-67.65
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=N1	REAL300005505110	0	51	0.0	-86.64	402.23	9.63	-77.01
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=N1	REAL300005505110	1	51	0.0	-80.72	407.85	9.81	-70.91
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)=C2)CC1	REAL300005505114	0	53	0.0	-73.02	418.97	9.68	-63.34
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)C=C2)CC1	REAL300005505115	0	53	0.0	-77.76	418.88	9.67	-68.09
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)C=C2)CC1	REAL300005505115	1	53	0.0	-80.29	418.34	9.54	-70.75
CC(C)[NH+]1CCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005505124	0	47	0.0	-76.35	357.10	9.64	-66.71
O=C([O-])C1=CC2=C(CN(C(=O)C34CC[NH+](CC3)C4)CC2)S1	REAL300005505205	0	39	0.0	-77.04	306.83	7.32	-69.72
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CC1CCC(C)[NH+]1CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505264	0	44	0.0	-70.17	339.43	8.92	-61.25
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=C1	REAL300005505265	0	44	0.0	-75.96	360.42	10.26	-65.70
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O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005505266	1	51	0.0	-73.08	393.21	12.16	-60.92
C[NH+](C)C1(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CCC1	REAL300005505306	0	41	0.0	-68.78	312.02	8.02	-60.76
C#CC[NH+]1CCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005505339	0	43	0.0	-79.36	347.44	9.61	-69.75
CCC[N@@H+]1CCCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505341	0	47	0.0	-73.02	354.37	9.75	-63.27
CCC[N@H+]1CCCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505341	1	47	0.0	-69.94	350.81	9.54	-60.40
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505342	0	44	0.0	-62.23	357.99	10.27	-51.96
CC[NH+]1CCN(CCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005505344	0	49	0.0	-75.74	381.31	7.78	-67.96
CCN1CC[NH+](CCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005505344	1	49	0.0	-76.80	381.30	7.78	-69.02
CC(C)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+]1CCCCC1	REAL300005505346	0	50	0.0	-66.22	367.29	10.40	-55.82
C[NH+](C)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1=CC=CC=C1	REAL300005505347	1	44	0.0	-68.08	350.97	10.27	-57.81
O=C([O-])C1=CC2=C(CN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005505351	0	49	0.0	-71.24	393.47	8.47	-62.77
O=C([O-])C1=CC2=C(CN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005505351	1	49	0.0	-77.96	389.93	8.49	-69.47
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505357	1	45	0.0	-68.30	368.14	10.27	-58.03
C[NH+](C)CC1=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)OC2=CC=CC=C21	REAL300005505358	0	47	0.0	-71.25	385.52	11.05	-60.20
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)S1	REAL300005505363	0	48	0.0	-68.83	353.95	10.31	-58.52
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)S1	REAL300005505363	1	48	0.0	-69.46	362.19	10.28	-59.18
CC[N@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1CC1	REAL300005505365	0	41	0.0	-73.06	323.79	8.64	-64.42
CC[N@@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1CC1	REAL300005505365	1	41	0.0	-72.80	324.04	8.97	-63.83
CC(C)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+]1CC(C)OC(C)C1	REAL300005505394	1	54	0.0	-72.34	402.29	9.57	-62.77
CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+]1CCCCCC1	REAL300005505395	0	47	0.0	-69.35	350.40	9.51	-59.84
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)=CC=C1N2	REAL300005505437	1	49	0.0	-79.60	395.34	10.63	-68.97
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)=CC=C1N2	REAL300005505437	1	49	0.0	-84.00	394.30	10.59	-73.41
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)O1	REAL300005505488	0	47	0.0	-76.41	380.15	10.36	-66.05
O=C([O-])C1=CC2=C(CN(C(=O)CCCC[NH+]3CCCC3)CC2)S1	REAL300005505489	0	47	0.0	-75.19	374.02	10.43	-64.76
CC1=CC=C(N2CCC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)CC2)[NH+]=C1	REAL300005505491	1	50	0.0	-77.54	395.78	10.03	-67.51
C[N@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)CC1=CC=CC=C1	REAL300005505492	1	44	0.0	-78.90	359.35	10.65	-68.25
C[N@@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)CC1=CC=CC=C1	REAL300005505492	1	44	0.0	-78.71	359.35	10.65	-68.06
CC(C)[C@@H](C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+](C)C	REAL300005505503	0	43	0.0	-70.58	325.49	8.76	-61.82
O=C([O-])C1=CC2=C(CN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)S1	REAL300005505521	1	39	0.0	-81.28	338.22	8.15	-73.13
C[NH+](C)CC1=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=NO1	REAL300005505551	1	40	0.0	-81.83	338.05	8.35	-73.48
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505555	0	51	0.0	-77.30	402.95	12.20	-65.10
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505555	1	51	0.0	-77.74	403.11	12.22	-65.52
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505571	0	44	0.0	-69.03	338.31	9.00	-60.03
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505571	1	44	0.0	-67.55	329.23	9.22	-58.33
C[NH+]1CCC(OCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005505597	0	45	0.0	-80.17	362.68	9.25	-70.92
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)CC2)S1	REAL300005505602	0	48	0.0	-77.77	385.08	10.75	-67.02
CCC[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005505796	0	47	0.0	-76.49	366.01	9.99	-66.50
CCC[N@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005505796	1	47	0.0	-73.61	362.00	9.82	-63.79
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505828	0	47	0.0	-70.06	363.53	10.05	-60.01
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005505828	1	47	0.0	-69.35	345.90	10.04	-59.31
O=C([O-])C1=CC2=C(CN(C(=O)C[NH+]3CCC(CO)CC3)CC2)S1	REAL300005505829	1	45	0.0	-76.33	356.46	6.23	-70.10
O=C([O-])C1=CC2=C(CN(C(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)CC2)S1	REAL300005505936	0	52	0.0	-71.45	407.31	12.31	-59.14
O=C([O-])C1=CC2=C(CN(C(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)CC2)S1	REAL300005505936	1	52	0.0	-86.52	408.42	12.26	-74.26
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506067	0	47	0.0	-69.03	350.97	9.78	-59.25
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506067	1	47	0.0	-71.82	357.06	9.58	-62.24
C[N@@H+]1CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C(C(F)(F)F)C1	REAL300005506068	0	41	0.0	-82.91	331.40	8.81	-74.10
C[N@H+]1CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C(C(F)(F)F)C1	REAL300005506068	1	41	0.0	-86.80	343.17	8.63	-78.17
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)N1	REAL300005506094	1	42	0.0	-69.47	353.87	8.44	-61.03
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=C1	REAL300005506591	0	47	0.0	-75.09	382.86	11.08	-64.01
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=C1	REAL300005506598	0	48	0.0	-79.19	389.73	10.02	-69.17
O=C([O-])C1=CC2=C(CN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)CC2)S1	REAL300005506695	0	54	0.0	-76.85	422.43	13.07	-63.78
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506741	0	41	0.0	-72.86	331.53	8.80	-64.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005506745	0	47	0.0	-76.01	351.61	9.57	-66.44
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)=CN21	REAL300005506749	0	39	0.0	-72.22	338.83	10.21	-62.01
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506815	0	50	0.0	-75.90	383.23	10.70	-65.20
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506815	1	50	0.0	-73.11	379.39	10.50	-62.61
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506816	0	44	0.0	-69.68	334.35	9.26	-60.42
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506816	1	44	0.0	-71.45	335.49	9.41	-62.04
C[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506820	0	41	0.0	-77.75	326.84	8.59	-69.16
C[N@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506820	1	41	0.0	-78.10	317.52	8.47	-69.63
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)O1	REAL300005506822	1	41	0.0	-78.66	344.11	8.89	-69.77
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506828	0	50	0.0	-82.53	358.64	9.11	-73.42
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005506828	1	50	0.0	-77.11	360.03	9.21	-67.90
O=C([O-])C1=CC2=C(CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2)S1	REAL300005506831	1	43	0.0	-70.81	334.58	10.40	-60.41
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NN(C2=CC=CC=C2)C=C1	REAL300005506913	1	50	0.0	-46.81	389.00	9.43	-37.38
O=C([O-])COC1CCC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300005508184	0	57	0.0	-84.05	432.64	10.54	-73.51
O=C([O-])COC1CCC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300005508874	0	54	0.0	-63.78	404.91	9.85	-53.93
O=C([O-])COC1CCC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300005508874	1	54	0.0	-73.13	415.43	9.96	-63.17
O=C([O-])COC1CCC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300005509712	1	54	0.0	-67.07	421.69	10.37	-56.70
O=C([O-])COC1CCC(NC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300005509712	1	54	0.0	-68.10	428.94	10.93	-57.17
O=C([O-])COC1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300005509796	0	51	0.0	-65.13	380.98	8.80	-56.33
O=C([O-])COC1CCC(NC(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300005509825	0	48	0.0	-69.53	369.05	7.83	-61.70
O=C([O-])COC1CCC(NC(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300005509825	1	48	0.0	-60.94	359.60	8.09	-52.85
CC1=[NH+]C=C2CCC(C(=O)NC3CCC(OCC(=O)[O-])CC3)CN21	REAL300005509831	1	49	0.0	-69.83	379.17	8.06	-61.77
O=C([O-])COC1CCC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300005509832	0	57	0.0	-80.43	432.32	10.46	-69.97
CC1=NC(C[NH+]2CCC(C(=O)NC3CCC(OCC(=O)[O-])CC3)CC2)=CS1	REAL300005509910	1	56	0.0	-81.66	439.63	8.23	-73.43
CC(C(=O)NC1CCC(OCC(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300005509911	1	52	0.0	-68.67	380.37	5.56	-63.11
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2CCC(OCC(=O)[O-])CC2)C=C1	REAL300005509997	0	60	0.0	-80.11	465.61	10.06	-70.05
CC1(C(=O)NC2CCC(OCC(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005510009	0	60	0.0	-74.49	445.27	10.96	-63.53
O=C([O-])COC1CCC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300005510067	0	42	0.0	-68.42	337.28	9.24	-59.18
C[NH+](C)CC1(C(=O)NC2CCC(OCC(=O)[O-])CC2)CCCCC1	REAL300005510100	0	56	0.0	-71.93	391.60	9.36	-62.57
C[N@H+](CCC(=O)NC1CCC(OCC(=O)[O-])CC1)C1CCCCC1	REAL300005510105	0	56	0.0	-77.34	409.96	8.91	-68.43
C[N@@H+](CCC(=O)NC1CCC(OCC(=O)[O-])CC1)C1CCCCC1	REAL300005510105	1	56	0.0	-77.30	409.95	8.89	-68.41
O=C([O-])COC1CCC(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300005510124	1	57	0.0	-76.71	427.22	10.36	-66.35
O=C([O-])COC1CCC(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300005510124	1	57	0.0	-65.85	422.74	10.78	-55.07
O=C([O-])COC1CCC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300005510125	1	54	0.0	-67.95	411.37	9.91	-58.04
O=C([O-])COC1CCC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300005510125	1	54	0.0	-69.07	418.61	10.48	-58.59
O=C([O-])COC1CCC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300005510180	0	50	0.0	-68.85	396.35	8.37	-60.48
O=C([O-])COC1CCC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300005510204	0	57	0.0	-61.50	401.01	9.67	-51.83
O=C([O-])COC1CCC(NC(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300005510204	1	57	0.0	-60.62	404.64	9.55	-51.07
O=C([O-])COC1CCC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300005510205	0	58	0.0	-81.74	423.27	7.60	-74.14
CC1=[NH+]C=CN1CCCC(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005510235	1	48	0.0	-72.99	382.52	8.20	-64.79
O=C([O-])COC1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1	REAL300005510236	1	54	0.0	-79.83	409.82	6.90	-72.93
CC[N@H+](CC1=CC=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)C=C1)C(C)C	REAL300005510238	0	59	0.0	-71.49	425.15	10.61	-60.88
CC[N@@H+](CC1=CC=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)C=C1)C(C)C	REAL300005510238	1	59	0.0	-69.42	424.61	10.41	-59.01
O=C([O-])COC1CCC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005510273	0	54	0.0	-67.86	411.68	10.21	-57.65
O=C([O-])COC1CCC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005510273	1	54	0.0	-76.87	414.67	9.69	-67.18
O=C([O-])COC1CCC(NC(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300005510274	0	55	0.0	-75.11	410.93	9.61	-65.50
C[NH+]1CCN(C(C(=O)NC2CCC(OCC(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300005510302	1	59	0.0	-73.08	444.96	8.61	-64.47
O=C([O-])COC1CCC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300005510303	0	58	0.0	-67.30	400.03	7.40	-59.90
CCC(C(=O)NC1CCC(OCC(=O)[O-])CC1)[NH+](CC)CC	REAL300005510307	0	52	0.0	-67.88	377.68	7.61	-60.27
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CC(C)C(C(=O)NC1CCC(OCC(=O)[O-])CC1)[NH+]1CCCCC1	REAL300005511041	0	56	0.0	-70.13	400.36	9.39	-60.74
C[NH+](C)C(C(=O)NC1CCC(OCC(=O)[O-])CC1)C1=CC=CC=C1	REAL300005511042	1	50	0.0	-71.93	386.27	8.81	-63.12
O=C([O-])COC1CCC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005511046	0	55	0.0	-66.02	420.94	7.18	-58.84
O=C([O-])COC1CCC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005511046	1	55	0.0	-67.25	420.38	7.12	-60.13
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005511052	1	51	0.0	-69.78	396.96	8.46	-61.32
C[NH+](C)CC1=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)OC2=CC=CC=C21	REAL300005511053	0	53	0.0	-69.55	406.37	9.55	-60.00
O=C([O-])COC1CCC(NC(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300005511058	0	54	0.0	-64.18	383.90	9.04	-55.14
O=C([O-])COC1CCC(NC(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300005511058	1	54	0.0	-64.20	385.20	9.13	-55.07
CC(C)C(C(=O)NC1CCC(OCC(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300005511088	1	60	0.0	-71.72	436.42	8.41	-63.31
CC(C(=O)NC1CCC(OCC(=O)[O-])CC1)[NH+]1CCCCCC1	REAL300005511089	0	53	0.0	-70.57	381.61	7.72	-62.85
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCC(OCC(=O)[O-])CC3)=CC=C1N2	REAL300005511127	1	55	0.0	-77.71	420.06	9.66	-68.05
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCC(OCC(=O)[O-])CC3)=CC=C1N2	REAL300005511127	1	55	0.0	-77.88	420.27	9.63	-68.25
CC[NH+](CC)CC1=CC=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)O1	REAL300005511180	0	53	0.0	-66.82	407.48	8.89	-57.93
O=C([O-])COC1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1	REAL300005511181	0	53	0.0	-76.52	402.88	8.62	-67.90
CC1=CC=C(N2CCC(C(=O)NC3CCC(OCC(=O)[O-])CC3)CC2)[NH+]=C1	REAL300005511183	1	56	0.0	-74.84	425.58	8.37	-66.47
C[N@H+](CC(=O)NC1CCC(OCC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300005511184	1	50	0.0	-68.47	383.77	9.32	-59.15
C[N@@H+](CC(=O)NC1CCC(OCC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300005511184	1	50	0.0	-79.09	388.21	8.91	-70.18
CC(C)[C@@H](C(=O)NC1CCC(OCC(=O)[O-])CC1)[NH+](C)C	REAL300005511195	0	49	0.0	-61.98	354.91	7.42	-54.56
O=C([O-])COC1CCC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300005511208	1	45	0.0	-76.50	366.42	7.17	-69.33
C[NH+](C)CC1=CC(C(=O)NC2CCC(OCC(=O)[O-])CC2)=NO1	REAL300005511239	1	46	0.0	-78.13	365.22	6.71	-71.42
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005511243	0	57	0.0	-73.01	431.84	10.79	-62.22
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005511243	1	57	0.0	-78.00	432.99	10.33	-67.67
CC(C)[N@@H+]1CCCC1C(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005511260	0	50	0.0	-69.90	370.47	7.41	-62.49
CC(C)[N@H+]1CCCC1C(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005511260	1	50	0.0	-72.31	363.91	7.51	-64.80
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CCC(OCC(=O)[O-])CC2)C=C1	REAL300005511267	0	58	0.0	-83.24	454.04	9.77	-73.47
C[NH+]1CCC(OCC(=O)NC2CCC(OCC(=O)[O-])CC2)CC1	REAL300005511287	0	51	0.0	-82.20	391.50	7.40	-74.80
O=C([O-])COC1CCC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300005511292	0	54	0.0	-69.54	413.26	9.42	-60.12
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2CCC(OCC(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300005511337	0	56	0.0	-64.96	421.09	8.93	-56.03
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2CCC(OCC(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300005511337	1	56	0.0	-69.15	419.73	9.01	-60.14
CCC[N@@H+]1CCCC(C(=O)NC2CCC(OCC(=O)[O-])CC2)C1	REAL300005511487	0	53	0.0	-74.45	395.29	8.32	-66.13
CCC[N@H+]1CCCC(C(=O)NC2CCC(OCC(=O)[O-])CC2)C1	REAL300005511487	1	53	0.0	-74.47	395.28	8.33	-66.14
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005511520	0	53	0.0	-62.02	390.80	8.88	-53.14
CC(C)C[N@H+]1CCCC1C(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005511520	1	53	0.0	-73.50	384.79	7.62	-65.88
O=C([O-])COC1CCC(NC(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300005511521	0	51	0.0	-75.95	385.34	4.49	-71.46
O=C([O-])COC1CCC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300005511624	0	58	0.0	-81.06	440.72	10.79	-70.27
O=C([O-])COC1CCC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300005511624	1	58	0.0	-82.18	441.76	10.76	-71.42
O=C([O-])COC1CCC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300005511666	1	57	0.0	-77.74	427.23	10.37	-67.37
O=C([O-])COC1CCC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300005511666	1	57	0.0	-64.14	422.73	10.78	-53.36
CC(C)[N@@H+]1CCCC(C(=O)NC2CCC(OCC(=O)[O-])CC2)C1	REAL300005511759	0	53	0.0	-72.83	390.46	8.10	-64.73
CC(C)[N@H+]1CCCC(C(=O)NC2CCC(OCC(=O)[O-])CC2)C1	REAL300005511759	1	53	0.0	-61.35	379.74	8.72	-52.63
C[N@@H+]1CC(C(=O)NC2CCC(OCC(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300005511760	0	47	0.0	-84.49	375.49	7.05	-77.44
C[N@H+]1CC(C(=O)NC2CCC(OCC(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300005511760	1	47	0.0	-75.02	348.29	7.48	-67.54
CC1=C(C)[NH+]=C(CCC(=O)NC2CCC(OCC(=O)[O-])CC2)N1	REAL300005511784	1	48	0.0	-70.55	381.79	6.59	-63.96
C[NH+](C)CCC1=CC=CC(C(=O)NC2CCC(OCC(=O)[O-])CC2)=C1	REAL300005512282	0	53	0.0	-73.77	407.76	10.05	-63.72
C[NH+](C)CCOC1=CC=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)C=C1	REAL300005512290	0	54	0.0	-72.43	415.06	9.01	-63.42
O=C([O-])COC1CCC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300005512390	0	60	0.0	-74.46	451.26	11.24	-63.22
CC1CN(CC2=CC=C(C(=O)NC3CCC(OCC(=O)[O-])CC3)C=C2)CCO1	REAL300005512392	0	58	0.0	-74.79	432.64	9.39	-65.40
CC1C[N@H+](CC2=CC=C(C(=O)NC3CCC(OCC(=O)[O-])CC3)C=C2)CCO1	REAL300005512392	1	58	0.0	-75.54	432.63	9.39	-66.15
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CCC(OCC(=O)[O-])CC3)C=C2)CCO1	REAL300005512392	1	58	0.0	-75.54	432.63	9.39	-66.15
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCC(OCC(=O)[O-])CC2)CC1	REAL300005512438	0	53	0.0	-71.28	383.84	8.00	-63.28
CC1=[NH+]C=C2C=CC(C(=O)NC3CCC(OCC(=O)[O-])CC3)=CN21	REAL300005512442	0	45	0.0	-64.37	358.71	9.01	-55.36
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCC(OCC(=O)[O-])CC2)C1	REAL300005512506	0	56	0.0	-61.18	402.04	9.63	-51.55
CC(C)C[N@H+]1CCCC(C(=O)NC2CCC(OCC(=O)[O-])CC2)C1	REAL300005512506	1	56	0.0	-73.88	412.73	9.01	-64.87
CC[N@@H+]1CCCC(C(=O)NC2CCC(OCC(=O)[O-])CC2)C1	REAL300005512507	0	50	0.0	-67.74	367.54	7.80	-59.94
CC[N@H+]1CCCC(C(=O)NC2CCC(OCC(=O)[O-])CC2)C1	REAL300005512507	1	50	0.0	-67.74	367.54	7.80	-59.94
C[NH+](C)CC1=CC=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)O1	REAL300005512513	1	47	0.0	-69.31	371.65	7.54	-61.77
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CCC(OCC(=O)[O-])CC2)C1	REAL300005512518	0	56	0.0	-77.27	401.53	8.43	-68.84
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CCC(OCC(=O)[O-])CC2)C1	REAL300005512518	1	56	0.0	-70.92	389.47	8.41	-62.51
O=C([O-])COC1CCC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300005512521	1	49	0.0	-60.26	365.23	8.22	-52.04
CN(CC1OCCN(C)C1C1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005512598	0	59	0.0	-46.26	436.62	9.25	-37.01
CN(CC1OCCN(C)C1C1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005512598	1	59	0.0	-43.67	429.14	8.77	-34.90
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC(N2CCOCC2)C(F)(F)F)C1	REAL300005512713	1	52	0.0	-51.03	382.90	4.28	-46.75
C[C@@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OC(C)CC2=C1	REAL300005512885	1	51	0.0	-50.10	385.14	8.87	-41.23
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C(F)C(F)(F)F)C=C2)C1	REAL300005513013	0	46	0.0	-48.40	372.79	8.75	-39.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C(F)C(F)(F)F)C=C2)C1	REAL300005513013	1	46	0.0	-49.19	374.72	9.20	-39.99
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300005513140	0	46	0.0	-48.69	376.24	10.02	-38.67
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300005513140	1	46	0.0	-48.30	370.04	10.00	-38.30
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OC(C)CC2=C1	REAL300005513270	0	51	0.0	-50.38	390.39	8.85	-41.53
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OC(C)CC2=C1	REAL300005513270	1	51	0.0	-49.32	385.15	8.90	-40.42
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300005513322	0	58	0.0	-71.12	414.75	8.55	-62.57
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300005513322	1	58	0.0	-70.16	408.72	8.05	-62.11
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=CC(C(=O)[O-])=C3)CCCC2)CC1	REAL300005513323	0	58	0.0	-76.11	412.63	8.67	-67.44
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=CC(C(=O)[O-])=C3)CCCC2)CC1	REAL300005513323	1	58	0.0	-81.26	415.35	8.49	-72.77
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C(=O)[O-])S3)CCCC2)CC1	REAL300005513324	0	55	0.0	-66.09	408.63	7.81	-58.28
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300005513325	0	57	0.0	-67.37	411.16	6.96	-60.41
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300005513325	1	57	0.0	-50.94	410.47	6.55	-44.39
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=NC(C(=O)[O-])=C3)CCCC2)CC1	REAL300005513326	0	57	0.0	-85.64	410.84	6.78	-78.86
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=NC(C(=O)[O-])=C3)CCCC2)CC1	REAL300005513326	1	57	0.0	-83.87	411.44	6.73	-77.14
CC(C)N1CC[NH+](C2(CNC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300005513327	0	62	0.0	-75.58	449.87	9.68	-65.90
CC(C)[NH+]1CCN(C2(CNC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300005513327	1	62	0.0	-75.37	451.72	9.88	-65.49
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C(=O)[O-])O3)CCCC2)CC1	REAL300005513328	0	55	0.0	-57.73	401.19	6.93	-50.80
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(C(=O)[O-])O3)CCCC2)CC1	REAL300005513328	1	55	0.0	-54.27	398.79	6.68	-47.59
CC(C)[NH+]1CCN(C2(CNC(=O)CC3=CC=CC(C(=O)[O-])=C3)CCCC2)CC1	REAL300005513329	0	61	0.0	-78.44	438.21	9.04	-69.40
CC(C)N1CC[NH+](C2(CNC(=O)CC3=CC=CC(C(=O)[O-])=C3)CCCC2)CC1	REAL300005513329	1	61	0.0	-77.94	440.02	9.16	-68.78
CC(C)[NH+]1CCN(C2(CNC(=O)C3(C(=O)[O-])CC3)CCCC2)CC1	REAL300005513330	0	55	0.0	-58.26	390.82	7.15	-51.11
CC(C)N1CC[NH+](C2(CNC(=O)C3(C(=O)[O-])CC3)CCCC2)CC1	REAL300005513330	1	55	0.0	-44.93	387.96	7.05	-37.88
CC(C)[NH+]1CCN(C2(CNC(=O)C3(C(=O)[O-])CC3)CCCC2)CC1	REAL300005513331	0	55	0.0	-58.26	390.82	7.15	-51.11
CC(C)N1CC[NH+](C2(CNC(=O)C3(C(=O)[O-])CC3)CCCC2)CC1	REAL300005513331	1	55	0.0	-44.93	387.96	7.05	-37.88
CC(C)[NH+]1CCN(C2(CNC(=O)C3CCCC(C(=O)[O-])C3)CCCC2)CC1	REAL300005513332	0	64	0.0	-79.80	443.80	8.81	-70.99
CC(C)N1CC[NH+](C2(CNC(=O)C3CCCC(C(=O)[O-])C3)CCCC2)CC1	REAL300005513332	1	64	0.0	-78.33	434.33	8.26	-70.07
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C(=O)[O-])N=C3)CCCC2)CC1	REAL300005513333	0	57	0.0	-70.70	410.22	6.87	-63.83
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(C(=O)[O-])N=C3)CCCC2)CC1	REAL300005513333	1	57	0.0	-69.79	411.22	6.72	-63.07
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C(=O)[O-])C=N3)CCCC2)CC1	REAL300005513334	0	57	0.0	-63.73	410.45	6.95	-56.78
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(C(=O)[O-])C=N3)CCCC2)CC1	REAL300005513334	1	57	0.0	-58.24	409.75	6.55	-51.69
CC(C)[NH+]1CCN(C2(CNC(=O)CC(C)(C)CC(=O)[O-])CCCC2)CC1	REAL300005513335	0	63	0.0	-71.71	422.69	7.80	-63.91
CC(C)N1CC[NH+](C2(CNC(=O)CC(C)(C)CC(=O)[O-])CCCC2)CC1	REAL300005513335	1	63	0.0	-69.24	424.51	7.92	-61.32
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C(=O)[O-])C=C3F)CCCC2)CC1	REAL300005513336	0	58	0.0	-68.83	418.86	8.72	-60.11
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(C(=O)[O-])C=C3F)CCCC2)CC1	REAL300005513336	1	58	0.0	-70.98	413.25	8.12	-62.86
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CN=C(C(=O)[O-])C=N3)CCCC2)CC1	REAL300005513337	0	56	0.0	-65.30	406.03	5.09	-60.21
CC(C)N1CC[NH+](C2(CNC(=O)C3=CN=C(C(=O)[O-])C=N3)CCCC2)CC1	REAL300005513337	1	56	0.0	-61.32	405.33	4.69	-56.63
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CCCC2)CC1	REAL300005513338	0	64	0.0	-69.74	436.52	8.66	-61.08
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CCCC2)CC1	REAL300005513338	1	64	0.0	-69.52	434.59	8.25	-61.27
CC(C)[NH+]1CCN(C2(CNC(=O)C3CCC(C(=O)[O-])CC3)CCCC2)CC1	REAL300005513339	0	64	0.0	-74.77	434.35	8.63	-66.14
CC(C)N1CC[NH+](C2(CNC(=O)C3CCC(C(=O)[O-])CC3)CCCC2)CC1	REAL300005513339	1	64	0.0	-70.38	441.46	8.73	-61.65
CC(C)[NH+]1CCN(C2(CNC(=O)CC3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300005513340	0	61	0.0	-84.54	442.87	9.28	-75.26
CC(C)N1CC[NH+](C2(CNC(=O)CC3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300005513340	1	61	0.0	-83.82	440.01	9.17	-74.65
CC(C)[NH+]1CCN(C2(CNC(=O)CN3C=C(C(=O)[O-])N=N3)CCCC2)CC1	REAL300005513341	0	57	0.0	-85.74	419.02	5.33	-80.41
CC(C)N1CC[NH+](C2(CNC(=O)CN3C=C(C(=O)[O-])N=N3)CCCC2)CC1	REAL300005513341	1	57	0.0	-84.84	417.16	5.15	-79.69
CC1=NC(C(=O)NCC2(N3CC[NH+](C(C)C)CC3)CCCC2)=CC=C1C(=O)[O-]	REAL300005513342	0	60	0.0	-63.34	428.02	7.44	-55.90
CC1=NC(C(=O)NCC2([NH+]3CCN(C(C)C)CC3)CCCC2)=CC=C1C(=O)[O-]	REAL300005513342	1	60	0.0	-58.60	426.02	7.06	-51.54
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300005513343	0	58	0.0	-71.12	414.75	8.55	-62.57
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300005513343	1	58	0.0	-70.16	408.72	8.05	-62.11
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300005513344	0	61	0.0	-72.80	421.63	8.25	-64.55
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300005513344	1	61	0.0	-76.56	416.87	7.58	-68.98
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=CC(CC(=O)[O-])=C3)CCCC2)CC1	REAL300005513345	0	61	0.0	-71.52	434.83	9.43	-62.09
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=CC(CC(=O)[O-])=C3)CCCC2)CC1	REAL300005513345	1	61	0.0	-73.24	437.53	9.25	-63.99
CC(C)[NH+]1CCN(C2(CNC(=O)C3=C(CC(=O)[O-])OC=C3)CCCC2)CC1	REAL300005513346	0	58	0.0	-74.84	415.99	7.29	-67.55
CC(C)N1CC[NH+](C2(CNC(=O)C3=C(CC(=O)[O-])OC=C3)CCCC2)CC1	REAL300005513346	1	58	0.0	-68.32	411.26	6.96	-61.36
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513347	0	61	0.0	-63.71	443.66	8.18	-55.53
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513347	1	61	0.0	-43.46	444.65	8.03	-35.43
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC(C(=O)[O-])=CC=N3)CCCC2)CC1	REAL300005513348	0	57	0.0	-68.31	410.64	6.97	-61.34
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC(C(=O)[O-])=CC=N3)CCCC2)CC1	REAL300005513348	1	57	0.0	-66.64	409.95	6.57	-60.07
CC(C)[NH+]1CCN(C2(CNC(=O)C34CC(C(=O)[O-])(C3)C4)CCCC2)CC1	REAL300005513349	0	59	0.0	-68.79	413.81	7.98	-60.81
CC(C)N1CC[NH+](C2(CNC(=O)C34CC(C(=O)[O-])(C3)C4)CCCC2)CC1	REAL300005513349	1	59	0.0	-67.60	418.85	8.04	-59.56
CC(C)[NH+]1CCN(C2(CNC(=O)C3(C(=O)[O-])CCC3)CCCC2)CC1	REAL300005513350	0	58	0.0	-59.81	399.60	7.66	-52.15
CC(C)N1CC[NH+](C2(CNC(=O)C3(C(=O)[O-])CCC3)CCCC2)CC1	REAL300005513350	1	58	0.0	-47.21	401.90	7.49	-39.72
CC(C)[NH+]1CCN(C2(CNC(=O)C(C)(C)C(=O)[O-])CCCC2)CC1	REAL300005513351	0	57	0.0	-77.09	393.29	7.64	-69.45
CC(C)N1CC[NH+](C2(CNC(=O)C(C)(C)C(=O)[O-])CCCC2)CC1	REAL300005513351	1	57	0.0	-71.19	395.23	7.70	-63.49
CC(C)[NH+]1CCN(C2(CNC(=O)CC3CCC(C(=O)[O-])CC3)CCCC2)CC1	REAL300005513352	0	67	0.0	-65.73	452.44	9.21	-56.52
CC(C)N1CC[NH+](C2(CNC(=O)CC3CCC(C(=O)[O-])CC3)CCCC2)CC1	REAL300005513352	1	67	0.0	-65.85	448.80	8.96	-56.89
CC(C)[NH+]1CCN(C2(CNC(=O)C34CCC(C(=O)[O-])(CC3)C4)CCCC2)CC1	REAL300005513353	0	65	0.0	-74.91	448.15	9.01	-65.90
CC(C)N1CC[NH+](C2(CNC(=O)C34CCC(C(=O)[O-])(CC3)C4)CCCC2)CC1	REAL300005513353	1	65	0.0	-79.92	449.41	8.87	-71.05
CC(C)[NH+]1CCN(C2(CNC(=O)CC(C)(C)CC(=O)[O-])CCCC2)CC1	REAL300005513354	0	63	0.0	-71.71	422.69	7.80	-63.91
CC(C)N1CC[NH+](C2(CNC(=O)CC(C)(C)CC(=O)[O-])CCCC2)CC1	REAL300005513354	1	63	0.0	-69.24	424.51	7.92	-61.32
CC(C)[NH+]1CCN(C2(CNC(=O)CCCC(=O)[O-])CCCC2)CC1	REAL300005513355	0	57	0.0	-75.35	400.34	6.98	-68.37
CC(C)N1CC[NH+](C2(CNC(=O)CCCC(=O)[O-])CCCC2)CC1	REAL300005513355	1	57	0.0	-71.79	402.15	7.10	-64.69
CC(CC(=O)[O-])CC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513356	0	60	0.0	-74.56	412.94	7.42	-67.14
CC(CC(=O)[O-])CC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513356	1	60	0.0	-70.67	414.75	7.54	-63.13
CC(C)[NH+]1CCN(C2(CNC(=O)C3=NOC(C(=O)[O-])=C3)CCCC2)CC1	REAL300005513357	0	54	0.0	-60.45	394.40	5.93	-54.52
CC(C)N1CC[NH+](C2(CNC(=O)C3=NOC(C(=O)[O-])=C3)CCCC2)CC1	REAL300005513357	1	54	0.0	-56.55	393.22	5.85	-50.70
CC(C)[NH+]1CCN(C2(CNC(=O)C3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300005513358	0	61	0.0	-64.74	422.42	8.25	-56.49
CC(C)N1CC[NH+](C2(CNC(=O)C3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300005513358	1	61	0.0	-50.99	419.56	8.16	-42.83
CC1=C(C(=O)NCC2(N3CC[NH+](C(C)C)CC3)CCCC2)C=C(C(=O)[O-])O1	REAL300005513359	0	58	0.0	-67.11	416.17	7.85	-59.26
CC1=C(C(=O)NCC2([NH+]3CCN(C(C)C)CC3)CCCC2)C=C(C(=O)[O-])O1	REAL300005513359	1	58	0.0	-59.72	411.02	7.26	-52.46
CC1=C(C(=O)[O-])OC(C(=O)NCC2(N3CC[NH+](C(C)C)CC3)CCCC2)=C1	REAL300005513360	0	58	0.0	-64.96	417.39	7.66	-57.30
CC1=C(C(=O)[O-])OC(C(=O)NCC2([NH+]3CCN(C(C)C)CC3)CCCC2)=C1	REAL300005513360	1	58	0.0	-54.36	416.70	7.26	-47.10
CC(C)[NH+]1CCN(C2(CNC(=O)CN3C=C(C(=O)[O-])C=N3)CCCC2)CC1	REAL300005513361	0	58	0.0	-75.67	421.06	6.79	-68.88
CC(C)N1CC[NH+](C2(CNC(=O)CN3C=C(C(=O)[O-])C=N3)CCCC2)CC1	REAL300005513361	1	58	0.0	-80.18	422.09	6.64	-73.54
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C=CC(=O)[O-])O3)CCCC2)CC1	REAL300005513362	0	59	0.0	-67.50	432.59	8.27	-59.23
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(C=CC(=O)[O-])O3)CCCC2)CC1	REAL300005513362	1	59	0.0	-59.31	431.90	7.86	-51.45
CC(C)[NH+]1CCN(C2(CNC(=O)C3(C(=O)[O-])CC4(CCC4)C3)CCCC2)CC1	REAL300005513363	0	65	0.0	-59.92	443.60	9.42	-50.50
CC(C)N1CC[NH+](C2(CNC(=O)C3(C(=O)[O-])CC4(CCC4)C3)CCCC2)CC1	REAL300005513363	1	65	0.0	-46.71	443.26	8.99	-37.72
CC(C)[NH+]1CCN(C2(CNC(=O)CCSCC(=O)[O-])CCCC2)CC1	REAL300005513364	0	58	0.0	-69.60	423.37	7.56	-62.04
CC(C)N1CC[NH+](C2(CNC(=O)CCSCC(=O)[O-])CCCC2)CC1	REAL300005513364	1	58	0.0	-67.76	425.18	7.68	-60.08
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C(=O)[O-])C=N3)CCCC2)CC1	REAL300005513365	0	57	0.0	-63.73	410.45	6.95	-56.78
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(C(=O)[O-])C=N3)CCCC2)CC1	REAL300005513365	1	57	0.0	-58.24	409.75	6.55	-51.69
CC(C)[NH+]1CCN(C2(CNC(=O)COCC(=O)[O-])CCCC2)CC1	REAL300005513366	0	55	0.0	-77.45	392.47	6.23	-71.22
CC(C)N1CC[NH+](C2(CNC(=O)COCC(=O)[O-])CCCC2)CC1	REAL300005513366	1	55	0.0	-73.52	394.28	6.35	-67.17
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC(C(=O)[O-])=NN3C)CCCC2)CC1	REAL300005513367	0	58	0.0	-77.23	412.81	6.44	-70.79
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC(C(=O)[O-])=NN3C)CCCC2)CC1	REAL300005513367	1	58	0.0	-65.89	414.84	5.95	-59.94
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)CCCC2)CC1	REAL300005513368	0	62	0.0	-74.85	436.56	8.16	-66.69
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)CCCC2)CC1	REAL300005513368	1	62	0.0	-73.91	430.75	7.52	-66.39
CC(C)[NH+]1CCN(C2(CNC(=O)C(C)(C)CCC(=O)[O-])CCCC2)CC1	REAL300005513369	0	63	0.0	-77.99	431.50	7.93	-70.06
CC(C)N1CC[NH+](C2(CNC(=O)C(C)(C)CCC(=O)[O-])CCCC2)CC1	REAL300005513369	1	63	0.0	-74.73	433.31	8.04	-66.69
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(CC(=O)[O-])C=C3)CCCC2)CC1	REAL300005513370	0	61	0.0	-67.54	436.94	9.32	-58.22
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(CC(=O)[O-])C=C3)CCCC2)CC1	REAL300005513370	1	61	0.0	-66.48	437.53	9.27	-57.21
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C=CC(=O)[O-])C=C3)CCCC2)CC1	REAL300005513371	0	62	0.0	-72.16	449.28	9.98	-62.18
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(C=CC(=O)[O-])C=C3)CCCC2)CC1	REAL300005513371	1	62	0.0	-72.94	447.42	9.78	-63.16
CC(C)N1CC[NH+](C2(CNC(=O)C=CC3=CC(C(=O)[O-])=CO3)CCCC2)CC1	REAL300005513372	0	59	0.0	-71.37	434.42	7.93	-63.44
CC(C)[NH+]1CCN(C2(CNC(=O)C=CC3=CC(C(=O)[O-])=CO3)CCCC2)CC1	REAL300005513372	1	59	0.0	-73.39	433.83	7.99	-65.40
CC(C)N1CC[NH+](C2(CNC(=O)C=CC3=CC=C(C(=O)[O-])O3)CCCC2)CC1	REAL300005513373	0	59	0.0	-64.84	435.95	8.29	-56.55
CC(C)[NH+]1CCN(C2(CNC(=O)C=CC3=CC=C(C(=O)[O-])O3)CCCC2)CC1	REAL300005513373	1	59	0.0	-67.03	434.14	8.18	-58.85
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300005513374	0	61	0.0	-72.80	421.63	8.25	-64.55
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300005513374	1	61	0.0	-76.56	416.87	7.58	-68.98
CC1=CC=C(C(=O)NCC2(N3CC[NH+](C(C)C)CC3)CCCC2)C=C1C(=O)[O-]	REAL300005513375	0	61	0.0	-82.35	430.83	9.00	-73.35
CC1=CC=C(C(=O)NCC2([NH+]3CCN(C(C)C)CC3)CCCC2)C=C1C(=O)[O-]	REAL300005513375	1	61	0.0	-82.20	435.17	9.12	-73.08
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CN=CC(C(=O)[O-])=C3)CCCC2)CC1	REAL300005513376	0	57	0.0	-74.67	409.92	6.76	-67.91
CC(C)N1CC[NH+](C2(CNC(=O)C3=CN=CC(C(=O)[O-])=C3)CCCC2)CC1	REAL300005513376	1	57	0.0	-72.66	410.51	6.70	-65.96
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513377	0	60	0.0	-63.20	423.65	7.51	-55.69
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513377	1	60	0.0	-53.61	423.64	7.16	-46.45
CC(C)[NH+]1CCN(C2(CNC(=O)CN3C=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300005513378	0	58	0.0	-97.41	420.83	6.71	-90.70
CC(C)N1CC[NH+](C2(CNC(=O)CN3C=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300005513378	1	58	0.0	-92.13	421.42	6.66	-85.47
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513379	0	58	0.0	-56.90	405.70	7.43	-49.47
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513379	1	58	0.0	-72.47	395.12	8.10	-64.37
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)CCCC2)CC1	REAL300005513380	0	65	0.0	-81.44	458.59	8.41	-73.03
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)CCCC2)CC1	REAL300005513380	1	65	0.0	-78.44	459.46	8.41	-70.03
CC(C)[NH+]1CCN(C2(CNC(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)CCCC2)CC1	REAL300005513381	0	65	0.0	-74.20	456.46	7.17	-67.03
CC(C)N1CC[NH+](C2(CNC(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)CCCC2)CC1	REAL300005513381	1	65	0.0	-70.25	454.20	7.07	-63.18
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513382	0	58	0.0	-56.90	405.70	7.43	-49.47
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513382	1	58	0.0	-72.47	395.12	8.10	-64.37
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513383	0	55	0.0	-72.03	381.20	7.85	-64.18
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513383	1	55	0.0	-71.85	385.91	6.74	-65.11
CC1=C(C(=O)NCC2(N3CC[NH+](C(C)C)CC3)CCCC2)OC(C(=O)[O-])=C1	REAL300005513384	0	58	0.0	-59.14	417.77	7.45	-51.69
CC1=C(C(=O)NCC2([NH+]3CCN(C(C)C)CC3)CCCC2)OC(C(=O)[O-])=C1	REAL300005513384	1	58	0.0	-54.48	416.59	7.37	-47.11
CCC(C(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513385	0	57	0.0	-60.80	392.31	7.05	-53.75
CCC(C(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513385	1	57	0.0	-40.79	394.96	7.01	-33.78
CC(C)C(C(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513386	0	60	0.0	-69.35	408.89	7.13	-62.22
CC(C)C(C(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513386	1	60	0.0	-50.39	416.21	7.50	-42.89
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513387	0	64	0.0	-71.74	431.96	9.37	-62.37
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513387	1	64	0.0	-66.65	421.79	8.77	-57.88
CC(C)[NH+]1CCN(C2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513389	0	55	0.0	-66.71	387.52	6.95	-59.76
CC(C)N1CC[NH+](C2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513389	1	55	0.0	-64.73	383.96	6.58	-58.15
CC(C)[NH+]1CCN(C2(CNC(=O)C3CC4(CC4C(=O)[O-])C3)CCCC2)CC1	REAL300005513390	0	62	0.0	-60.68	439.59	9.02	-51.66
CC(C)N1CC[NH+](C2(CNC(=O)C3CC4(CC4C(=O)[O-])C3)CCCC2)CC1	REAL300005513390	1	62	0.0	-59.24	437.73	8.84	-50.40
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300005513391	0	58	0.0	-70.91	402.53	7.26	-63.65
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300005513391	1	58	0.0	-71.86	400.97	7.31	-64.55
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)CCCC2)CC1	REAL300005513392	0	64	0.0	-61.16	453.35	8.88	-52.28
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)CCCC2)CC1	REAL300005513392	1	64	0.0	-72.20	447.94	8.97	-63.23
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513393	0	61	0.0	-57.46	430.72	9.05	-48.41
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513393	1	61	0.0	-53.93	428.23	8.96	-44.97
CC(C)[NH+]1CCN(C2(CNC(=O)C3CC(C)(C(=O)[O-])C3)CCCC2)CC1	REAL300005513394	0	61	0.0	-73.68	424.92	7.82	-65.86
CC(C)N1CC[NH+](C2(CNC(=O)C3CC(C)(C(=O)[O-])C3)CCCC2)CC1	REAL300005513394	1	61	0.0	-60.37	424.46	7.89	-52.48
CC(C)[NH+]1CCN(C2(CNC(=O)C3=C(C(=O)[O-])SC=C3)CCCC2)CC1	REAL300005513395	0	55	0.0	-72.48	404.37	8.46	-64.02
CC(C)N1CC[NH+](C2(CNC(=O)C3=C(C(=O)[O-])SC=C3)CCCC2)CC1	REAL300005513395	1	55	0.0	-68.44	401.99	8.13	-60.31
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC(C(=O)[O-])=NN3)CCCC2)CC1	REAL300005513396	0	55	0.0	-72.98	396.90	5.10	-67.88
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC(C(=O)[O-])=NN3)CCCC2)CC1	REAL300005513396	1	55	0.0	-74.59	396.22	4.70	-69.89
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513397	0	60	0.0	-67.66	419.93	7.42	-60.24
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513397	1	60	0.0	-70.72	418.00	7.05	-63.67
CCCC(C(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513398	0	60	0.0	-61.09	413.82	7.83	-53.26
CCCC(C(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513398	1	60	0.0	-47.52	415.65	7.93	-39.59
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513399	0	61	0.0	-70.84	429.57	9.05	-61.79
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513399	1	61	0.0	-71.46	424.36	8.95	-62.51
CC(C)[NH+]1CCN(C2(CNC(=O)C3CC4(CC(C(=O)[O-])C4)C3)CCCC2)CC1	REAL300005513400	0	65	0.0	-75.14	455.72	9.40	-65.74
CC(C)N1CC[NH+](C2(CNC(=O)C3CC4(CC(C(=O)[O-])C4)C3)CCCC2)CC1	REAL300005513400	1	65	0.0	-73.52	456.28	9.35	-64.17
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C(=O)[O-])N3C)CCCC2)CC1	REAL300005513401	0	59	0.0	-71.51	416.15	7.59	-63.92
CC(C)N1CC[NH+](C2(CNC(=O)C3=CC=C(C(=O)[O-])N3C)CCCC2)CC1	REAL300005513401	1	59	0.0	-69.98	411.55	7.26	-62.72
CC(C)[NH+]1CCN(C2(CNC(=O)C3(C(=O)[O-])CC=CC3)CCCC2)CC1	REAL300005513402	0	59	0.0	-64.34	415.04	8.15	-56.19
CC(C)N1CC[NH+](C2(CNC(=O)C3(C(=O)[O-])CC=CC3)CCCC2)CC1	REAL300005513402	1	59	0.0	-50.49	412.11	7.99	-42.50
CC1=NNC(C(=O)NCC2(N3CC[NH+](C(C)C)CC3)CCCC2)=C1C(=O)[O-]	REAL300005513403	0	58	0.0	-70.46	408.59	6.51	-63.95
CC1=NNC(C(=O)NCC2([NH+]3CCN(C(C)C)CC3)CCCC2)=C1C(=O)[O-]	REAL300005513403	1	58	0.0	-71.08	407.90	6.10	-64.98
CC(C)[NH+]1CCN(C2(CNC(=O)CC3(CC(=O)[O-])CC3)CCCC2)CC1	REAL300005513404	0	61	0.0	-63.88	426.82	8.36	-55.52
CC(C)N1CC[NH+](C2(CNC(=O)CC3(CC(=O)[O-])CC3)CCCC2)CC1	REAL300005513404	1	61	0.0	-56.75	427.81	8.20	-48.55
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CSC(C(=O)[O-])=N3)CCCC2)CC1	REAL300005513405	0	54	0.0	-63.24	404.01	5.79	-57.45
CC(C)N1CC[NH+](C2(CNC(=O)C3=CSC(C(=O)[O-])=N3)CCCC2)CC1	REAL300005513405	1	54	0.0	-49.63	402.02	5.43	-44.20
COC(C(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513406	0	55	0.0	-65.12	389.57	6.08	-59.04
COC(C(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513406	1	55	0.0	-46.77	391.39	6.19	-40.58
CC(C)[NH+]1CCN(C2(CNC(=O)[C@@]3(C)C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513407	0	58	0.0	-85.77	403.18	7.59	-78.18
CC(C)N1CC[NH+](C2(CNC(=O)[C@@]3(C)C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513407	1	58	0.0	-74.93	406.57	7.55	-67.38
CC1=C(C(=O)NCC2(N3CC[NH+](C(C)C)CC3)CCCC2)C=C(C(=O)[O-])S1	REAL300005513408	0	58	0.0	-58.84	424.03	8.29	-50.55
CC1=C(C(=O)NCC2([NH+]3CCN(C(C)C)CC3)CCCC2)C=C(C(=O)[O-])S1	REAL300005513408	1	58	0.0	-55.99	421.61	8.12	-47.87
CC(C)[NH+]1CCN(C2(CNC(=O)C34CC(C(=O)[O-])(C3)CO4)CCCC2)CC1	REAL300005513409	0	60	0.0	-65.01	424.19	6.24	-58.77
CC(C)N1CC[NH+](C2(CNC(=O)C34CC(C(=O)[O-])(C3)CO4)CCCC2)CC1	REAL300005513409	1	60	0.0	-61.98	422.21	5.88	-56.10
CC(C)[NH+]1CCN(C2(CNC(=O)C(C)C(=O)[O-])CCCC2)CC1	REAL300005513410	0	54	0.0	-74.01	374.63	7.07	-66.94
CC(C)N1CC[NH+](C2(CNC(=O)C(C)C(=O)[O-])CCCC2)CC1	REAL300005513410	1	54	0.0	-68.66	378.00	7.12	-61.54
CC(C)N1CC[NH+](C2(CNC(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300005513411	0	62	0.0	-75.54	446.87	9.47	-66.07
CC(C)[NH+]1CCN(C2(CNC(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300005513411	1	62	0.0	-73.52	447.56	9.87	-63.65
CC(C)[NH+]1CCN(C2(CNC(=O)C3(C(=O)[O-])CC3C)CCCC2)CC1	REAL300005513412	0	58	0.0	-58.40	404.30	7.55	-50.85
CC(C)N1CC[NH+](C2(CNC(=O)C3(C(=O)[O-])CC3C)CCCC2)CC1	REAL300005513412	1	58	0.0	-38.85	401.82	7.76	-31.09
CC(C)[NH+]1CCN(C2(CNC(=O)C3(C(=O)[O-])CC4(CCC4)C3)CCCC2)CC1	REAL300005513413	0	65	0.0	-59.92	443.60	9.42	-50.50
CC(C)N1CC[NH+](C2(CNC(=O)C3(C(=O)[O-])CC4(CCC4)C3)CCCC2)CC1	REAL300005513413	1	65	0.0	-46.71	443.26	8.99	-37.72
CC(C)[NH+]1CCN(C2(CNC(=O)C3=C(C(=O)[O-])C=NN3C)CCCC2)CC1	REAL300005513414	0	58	0.0	-74.69	406.70	7.30	-67.39
CC(C)N1CC[NH+](C2(CNC(=O)C3=C(C(=O)[O-])C=NN3C)CCCC2)CC1	REAL300005513414	1	58	0.0	-68.07	418.65	5.72	-62.35
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513415	0	61	0.0	-73.84	424.35	9.22	-64.62
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513415	1	61	0.0	-78.46	418.82	8.58	-69.88
C=C1CCC1(C(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300005513416	0	59	0.0	-50.35	417.39	8.15	-42.20
C=C1CCC1(C(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300005513416	1	59	0.0	-42.27	415.54	7.95	-34.32
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC(C(=O)[O-])=CS3)CCCC2)CC1	REAL300005513417	0	55	0.0	-72.87	406.26	7.70	-65.17
CC(C)[NH+]1CCN(C2(CNC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300005513418	0	63	0.0	-67.64	430.55	6.77	-60.87
CC(C)N1CC[NH+](C2(CNC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300005513418	1	63	0.0	-57.90	428.57	6.31	-51.59
CC(C)[NH+]1CCN(C2(CNC(=O)[C@@]3(C(C)C)C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513419	0	64	0.0	-71.40	441.68	8.80	-62.60
CC(C)N1CC[NH+](C2(CNC(=O)[C@@]3(C(C)C)C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300005513419	1	64	0.0	-44.90	438.63	8.56	-36.34
CC(C)[NH+]1CCN(C2(CNC(=O)CC3=CC(C(=O)[O-])=CS3)CCCC2)CC1	REAL300005513420	0	58	0.0	-78.24	433.42	8.49	-69.75
CC(C)N1CC[NH+](C2(CNC(=O)CC3=CC(C(=O)[O-])=CS3)CCCC2)CC1	REAL300005513420	1	58	0.0	-78.22	431.56	8.31	-69.91
CC(C)[NH+]1CCN(C2(CNC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)CCCC2)CC1	REAL300005513421	0	61	0.0	-77.04	423.24	8.11	-68.93
CC(C)N1CC[NH+](C2(CNC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)CCCC2)CC1	REAL300005513421	1	61	0.0	-63.14	415.06	7.55	-55.59
CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)COCCO1	REAL300005513450	0	45	0.0	-46.82	330.02	4.35	-42.47
CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)COCCO1	REAL300005513450	1	45	0.0	-45.74	328.60	3.89	-41.85
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])C=C1)N1CC[NH+](C(C)C)CC1	REAL300005513473	0	58	0.0	-70.67	423.56	7.43	-63.24
COCC(C)(CNC(=O)C1=CC=CC(C(=O)[O-])=C1)N1CC[NH+](C(C)C)CC1	REAL300005513474	0	58	0.0	-83.03	423.58	7.43	-75.60
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])S1)N1CC[NH+](C(C)C)CC1	REAL300005513475	0	55	0.0	-64.95	417.87	6.58	-58.37
COCC(C)(CNC(=O)C1=CC=CC(C(=O)[O-])=N1)N1CC[NH+](C(C)C)CC1	REAL300005513476	0	57	0.0	-59.44	421.68	5.69	-53.75
COCC(C)(CNC(=O)C1=CC=NC(C(=O)[O-])=C1)N1CC[NH+](C(C)C)CC1	REAL300005513477	0	57	0.0	-84.20	419.66	5.66	-78.54
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])O1)N1CC[NH+](C(C)C)CC1	REAL300005513478	0	55	0.0	-60.08	410.00	5.81	-54.27
COCC(C)(CNC(=O)CC1=CC=CC(C(=O)[O-])=C1)N1CC[NH+](C(C)C)CC1	REAL300005513479	0	61	0.0	-78.72	448.64	8.13	-70.59
COCC(C)(CNC(=O)C1(C(=O)[O-])CC1)N1CC[NH+](C(C)C)CC1	REAL300005513480	0	55	0.0	-52.88	394.10	5.97	-46.91
COCC(C)(CNC(=O)C1(C(=O)[O-])CC1)N1CC[NH+](C(C)C)CC1	REAL300005513481	0	55	0.0	-52.88	394.10	5.97	-46.91
COCC(C)(CNC(=O)C1CCCC(C(=O)[O-])C1)N1CC[NH+](C(C)C)CC1	REAL300005513482	0	64	0.0	-82.43	443.00	7.60	-74.83
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])N=C1)N1CC[NH+](C(C)C)CC1	REAL300005513483	0	57	0.0	-69.50	419.27	5.72	-63.78
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])C=N1)N1CC[NH+](C(C)C)CC1	REAL300005513484	0	57	0.0	-62.79	420.97	5.68	-57.11
COCC(C)(CNC(=O)CC(C)(C)CC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513485	0	63	0.0	-71.60	433.13	6.89	-64.71
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])C=C1F)N1CC[NH+](C(C)C)CC1	REAL300005513486	0	58	0.0	-70.83	427.92	7.60	-63.23
COCC(C)(CNC(=O)C1=CN=C(C(=O)[O-])C=N1)N1CC[NH+](C(C)C)CC1	REAL300005513487	0	56	0.0	-64.83	416.39	3.92	-60.91
COCC(C)(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)N1CC[NH+](C(C)C)CC1	REAL300005513488	0	64	0.0	-70.21	448.35	7.62	-62.59
COCC(C)(CNC(=O)C1CCC(C(=O)[O-])CC1)N1CC[NH+](C(C)C)CC1	REAL300005513489	0	64	0.0	-70.89	450.10	7.71	-63.18
COCC(C)(CNC(=O)CC1=CC=C(C(=O)[O-])C=C1)N1CC[NH+](C(C)C)CC1	REAL300005513490	0	61	0.0	-83.76	448.64	8.14	-75.62
COCC(C)(CNC(=O)CN1C=C(C(=O)[O-])N=N1)N1CC[NH+](C(C)C)CC1	REAL300005513491	0	57	0.0	-84.78	425.38	4.06	-80.72
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)N1CC[NH+](C(C)C)CC1	REAL300005513492	0	60	0.0	-63.01	437.35	6.21	-56.80
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])C=C1)N1CC[NH+](C(C)C)CC1	REAL300005513493	0	58	0.0	-70.67	423.56	7.43	-63.24
COCC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)N1CC[NH+](C(C)C)CC1	REAL300005513494	0	61	0.0	-79.14	428.08	6.74	-72.40
COCC(C)(CNC(=O)C1=CC=CC(CC(=O)[O-])=C1)N1CC[NH+](C(C)C)CC1	REAL300005513495	0	61	0.0	-78.09	445.59	8.28	-69.81
COCC(C)(CNC(=O)C1=C(CC(=O)[O-])OC=C1)N1CC[NH+](C(C)C)CC1	REAL300005513496	0	58	0.0	-80.38	426.01	6.32	-74.06
COCC(C)(CNC(=O)C1=C(CC(=O)[O-])OC=C1C)N1CC[NH+](C(C)C)CC1	REAL300005513497	0	61	0.0	-73.45	452.87	6.94	-66.51
COCC(C)(CNC(=O)C1=CC(C(=O)[O-])=CC=N1)N1CC[NH+](C(C)C)CC1	REAL300005513498	0	57	0.0	-73.16	421.17	5.70	-67.46
COCC(C)(CNC(=O)C12CC(C(=O)[O-])(C1)C2)N1CC[NH+](C(C)C)CC1	REAL300005513499	0	59	0.0	-70.08	422.84	6.75	-63.33
COCC(C)(CNC(=O)C1(C(=O)[O-])CCC1)N1CC[NH+](C(C)C)CC1	REAL300005513500	0	58	0.0	-54.88	411.22	6.44	-48.44
COCC(C)(CNC(=O)C(C)(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513501	0	57	0.0	-77.79	403.72	6.72	-71.07
COCC(C)(CNC(=O)CC1CCC(C(=O)[O-])CC1)N1CC[NH+](C(C)C)CC1	REAL300005513502	0	67	0.0	-78.94	468.77	8.39	-70.55
COCC(C)(CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)N1CC[NH+](C(C)C)CC1	REAL300005513503	0	65	0.0	-80.39	457.41	7.79	-72.60
COCC(C)(CNC(=O)CC(C)(C)CC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513504	0	63	0.0	-71.60	433.13	6.89	-64.71
COCC(C)(CNC(=O)CCCC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513505	0	57	0.0	-75.38	410.77	6.07	-69.31
COCC(C)(CNC(=O)CC(C)CC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513506	0	60	0.0	-74.43	423.38	6.51	-67.92
COCC(C)(CNC(=O)C1=NOC(C(=O)[O-])=C1)N1CC[NH+](C(C)C)CC1	REAL300005513507	0	54	0.0	-61.61	404.84	5.02	-56.59
COCC(C)(CNC(=O)C1(C(=O)[O-])CCCC1)N1CC[NH+](C(C)C)CC1	REAL300005513508	0	61	0.0	-64.62	424.90	7.20	-57.42
COCC(C)(CNC(=O)C1=C(C)OC(C(=O)[O-])=C1)N1CC[NH+](C(C)C)CC1	REAL300005513509	0	58	0.0	-63.73	426.54	6.67	-57.06
COCC(C)(CNC(=O)C1=CC(C)=C(C(=O)[O-])O1)N1CC[NH+](C(C)C)CC1	REAL300005513510	0	58	0.0	-60.48	427.91	6.39	-54.09
COCC(C)(CNC(=O)CN1C=C(C(=O)[O-])C=N1)N1CC[NH+](C(C)C)CC1	REAL300005513511	0	58	0.0	-81.36	430.31	5.55	-75.81
COCC(C)(CNC(=O)C1=CC=C(C=CC(=O)[O-])O1)N1CC[NH+](C(C)C)CC1	REAL300005513512	0	59	0.0	-61.98	443.13	7.00	-54.98
COCC(C)(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)N1CC[NH+](C(C)C)CC1	REAL300005513513	0	65	0.0	-63.65	459.23	8.14	-55.51
COCC(C)(CNC(=O)CCSCC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513514	0	58	0.0	-69.38	433.80	6.65	-62.73
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])C=N1)N1CC[NH+](C(C)C)CC1	REAL300005513515	0	57	0.0	-62.79	420.97	5.68	-57.11
COCC(C)(CNC(=O)COCC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513516	0	55	0.0	-77.66	402.90	5.32	-72.34
COCC(C)(CNC(=O)C1=CC(C(=O)[O-])=NN1C)N1CC[NH+](C(C)C)CC1	REAL300005513517	0	58	0.0	-81.68	423.86	4.26	-77.42
COCC(C)(CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)N1CC[NH+](C(C)C)CC1	REAL300005513518	0	62	0.0	-82.36	441.78	6.79	-75.57
COCC(C)(CNC(=O)C(C)(C)CCC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513519	0	63	0.0	-78.01	441.93	7.01	-71.00
COCC(C)(CNC(=O)C1=CC=C(CC(=O)[O-])C=C1)N1CC[NH+](C(C)C)CC1	REAL300005513520	0	61	0.0	-70.44	445.75	8.20	-62.24
COCC(C)(CNC(=O)C=CC1=CC(C(=O)[O-])=CO1)N1CC[NH+](C(C)C)CC1	REAL300005513521	0	59	0.0	-72.83	443.04	6.91	-65.92
COCC(C)(CNC(=O)C=CC1=CC=C(C(=O)[O-])O1)N1CC[NH+](C(C)C)CC1	REAL300005513522	0	59	0.0	-67.03	444.58	7.27	-59.76
COCC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)N1CC[NH+](C(C)C)CC1	REAL300005513523	0	61	0.0	-79.14	428.08	6.74	-72.40
COCC(C)(CNC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)N1CC[NH+](C(C)C)CC1	REAL300005513524	0	61	0.0	-82.90	439.57	7.97	-74.93
COCC(C)(CNC(=O)C1=CN=CC(C(=O)[O-])=C1)N1CC[NH+](C(C)C)CC1	REAL300005513525	0	57	0.0	-73.36	418.56	5.71	-67.65
COCC(C)(CNC(=O)C1=CC(C(=O)[O-])=CN=C1C)N1CC[NH+](C(C)C)CC1	REAL300005513526	0	60	0.0	-57.98	435.05	6.36	-51.62
COCC(C)(CNC(=O)CN1C=CC(C(=O)[O-])=N1)N1CC[NH+](C(C)C)CC1	REAL300005513527	0	58	0.0	-90.15	429.48	5.68	-84.47
COCC(C)(CNC(=O)[C@H]1CC[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513528	0	58	0.0	-70.49	410.70	6.35	-64.14
COCC(C)(CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)N1CC[NH+](C(C)C)CC1	REAL300005513529	0	65	0.0	-81.84	463.57	7.14	-74.70
COCC(C)(CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)N1CC[NH+](C(C)C)CC1	REAL300005513530	0	65	0.0	-73.77	466.00	5.99	-67.78
COCC(C)(CNC(=O)[C@H]1CC[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513531	0	58	0.0	-70.49	410.70	6.35	-64.14
COCC(C)(CNC(=O)[C@H]1C[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513532	0	55	0.0	-82.65	393.64	5.66	-76.99
COCC(C)(CNC(=O)C1=C(C)C=C(C(=O)[O-])O1)N1CC[NH+](C(C)C)CC1	REAL300005513533	0	58	0.0	-60.39	427.81	6.49	-53.90
CCC(C(=O)[O-])C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300005513534	0	57	0.0	-55.76	408.76	5.89	-49.87
COCC(C)(CNC(=O)C(C(=O)[O-])C(C)C)N1CC[NH+](C(C)C)CC1	REAL300005513535	0	60	0.0	-66.14	418.06	6.26	-59.88
COCC(C)(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513536	0	64	0.0	-84.20	439.58	7.95	-76.25
COCC(C)(CNC(=O)CN1CCCC(C(=O)[O-])C1)N1CC[NH+](C(C)C)CC1	REAL300005513537	1	66	0.0	-68.96	463.15	5.51	-63.45
COCC(C)(CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513538	0	55	0.0	-70.99	399.92	5.93	-65.06
COCC(C)(CNC(=O)C1CC2(CC2C(=O)[O-])C1)N1CC[NH+](C(C)C)CC1	REAL300005513539	0	62	0.0	-70.97	444.64	7.73	-63.24
COCC(C)(CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)N1CC[NH+](C(C)C)CC1	REAL300005513540	0	58	0.0	-74.17	411.39	6.15	-68.02
COCC(C)(CNC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)N1CC[NH+](C(C)C)CC1	REAL300005513541	0	64	0.0	-83.31	453.19	8.51	-74.80
COCC(C)(CNC(=O)C1=CC(C(=O)[O-])=CC=C1C)N1CC[NH+](C(C)C)CC1	REAL300005513542	0	61	0.0	-60.43	439.64	8.09	-52.34
COCC(C)(CNC(=O)C1CC(C)(C(=O)[O-])C1)N1CC[NH+](C(C)C)CC1	REAL300005513543	0	61	0.0	-72.37	428.38	6.63	-65.74
COCC(C)(CNC(=O)C1=C(C(=O)[O-])SC=C1)N1CC[NH+](C(C)C)CC1	REAL300005513544	0	55	0.0	-82.53	410.25	7.49	-75.04
COCC(C)(CNC(=O)C1=CC(C(=O)[O-])=NN1)N1CC[NH+](C(C)C)CC1	REAL300005513545	0	55	0.0	-75.42	407.44	3.83	-71.59
COCC(C)(CNC(=O)C1=CN=CC(C(=O)[O-])=C1C)N1CC[NH+](C(C)C)CC1	REAL300005513546	0	60	0.0	-71.52	429.14	6.20	-65.32
CCCC(C(=O)[O-])C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300005513547	0	60	0.0	-52.73	425.08	6.75	-45.98
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])C=C1C)N1CC[NH+](C(C)C)CC1	REAL300005513548	0	61	0.0	-70.10	439.62	8.10	-62.00
COCC(C)(CNC(=O)C1CC2(CC(C(=O)[O-])C2)C1)N1CC[NH+](C(C)C)CC1	REAL300005513549	0	65	0.0	-74.76	464.51	8.27	-66.49
COCC(C)(CNC(=O)C1=CC=C(C(=O)[O-])N1C)N1CC[NH+](C(C)C)CC1	REAL300005513550	0	59	0.0	-67.77	423.27	5.83	-61.94
COCC(C)(CNC(=O)C1(C(=O)[O-])CC=CC1)N1CC[NH+](C(C)C)CC1	REAL300005513551	0	59	0.0	-63.78	416.10	7.19	-56.59
COCC(C)(CNC(=O)C1=C(C(=O)[O-])C(C)=NN1)N1CC[NH+](C(C)C)CC1	REAL300005513552	0	58	0.0	-77.83	419.10	5.23	-72.60
COCC(C)(CNC(=O)CC1(CC(=O)[O-])CC1)N1CC[NH+](C(C)C)CC1	REAL300005513553	0	61	0.0	-62.75	435.17	7.19	-55.56
COCC(C)(CNC(=O)C1=CSC(C(=O)[O-])=N1)N1CC[NH+](C(C)C)CC1	REAL300005513554	0	54	0.0	-57.53	413.23	4.56	-52.97
COCC(C)(CNC(=O)C(OC)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513555	0	55	0.0	-58.10	400.01	5.17	-52.93
COCC(C)(CNC(=O)[C@@]1(C)C[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513556	0	58	0.0	-83.63	412.12	7.44	-76.19
COCC(C)(CNC(=O)C1=C(C)SC(C(=O)[O-])=C1)N1CC[NH+](C(C)C)CC1	REAL300005513557	0	58	0.0	-60.79	433.99	7.26	-53.53
COCC(C)(CNC(=O)C12CC(C(=O)[O-])(C1)CO2)N1CC[NH+](C(C)C)CC1	REAL300005513558	0	60	0.0	-66.94	433.40	5.00	-61.94
COCC(C)(CNC(=O)C(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513559	0	54	0.0	-75.75	385.07	6.16	-69.59
COCC(C)(CNC(=O)C1(C(=O)[O-])CC1C)N1CC[NH+](C(C)C)CC1	REAL300005513560	0	58	0.0	-52.65	410.46	6.74	-45.91
COCC(C)(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)N1CC[NH+](C(C)C)CC1	REAL300005513561	0	65	0.0	-63.65	459.23	8.14	-55.51
COCC(C)(CNC(=O)C1=C(C(=O)[O-])C=NN1C)N1CC[NH+](C(C)C)CC1	REAL300005513562	0	58	0.0	-81.89	416.59	5.15	-76.74
COCC(C)(CNC(=O)C1=CC=CC(C(=O)[O-])=C1C)N1CC[NH+](C(C)C)CC1	REAL300005513563	0	61	0.0	-77.24	433.49	7.95	-69.29
C=C1CCC1(C(=O)[O-])C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300005513564	0	59	0.0	-63.34	419.90	7.19	-56.15
COCC(C)(CNC(=O)C1=CC(C(=O)[O-])=CS1)N1CC[NH+](C(C)C)CC1	REAL300005513565	0	55	0.0	-78.66	416.79	6.42	-72.24
COCC(C)(CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513566	0	63	0.0	-75.72	442.98	5.43	-70.29
COCC(C)(CNC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300005513567	0	64	0.0	-57.72	447.98	7.04	-50.68
COCC(C)(CNC(=O)CC1=CC(C(=O)[O-])=CS1)N1CC[NH+](C(C)C)CC1	REAL300005513568	0	58	0.0	-83.17	439.79	7.23	-75.94
COCC(C)(CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)N1CC[NH+](C(C)C)CC1	REAL300005513569	0	61	0.0	-76.70	430.21	6.94	-69.76
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300005513648	0	50	0.0	-52.71	388.45	8.93	-43.78
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300005513648	1	50	0.0	-55.39	390.36	9.38	-46.01
CC1=CC([C@H](C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300005513776	0	46	0.0	-49.41	373.07	9.44	-39.97
CC1=CC([C@H](C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300005513776	1	46	0.0	-47.84	367.56	9.47	-38.37
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CSC=C2C(F)(F)F)C1	REAL300005513897	0	40	0.0	-47.55	340.22	7.64	-39.91
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CSC=C2C(F)(F)F)C1	REAL300005513897	1	40	0.0	-48.16	334.01	7.62	-40.54
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1(C(=O)[O-])CC1	REAL300005514843	0	47	0.0	-82.75	352.56	10.85	-71.90
CC1=NC(C[NH+]2CCC(C(=O)N(C)C3(C(=O)[O-])CC3)CC2)=CS1	REAL300005515867	1	46	0.0	-49.14	369.69	8.35	-40.79
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1(C(=O)[O-])CC1	REAL300005515900	0	50	0.0	-86.55	388.91	10.64	-75.91
CN(C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1)C1(C(=O)[O-])CC1	REAL300005515905	0	50	0.0	-82.47	388.05	12.61	-69.86
CN(C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1)C1(C(=O)[O-])CC1	REAL300005515905	1	50	0.0	-84.02	388.08	12.61	-71.41
CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1(C(=O)[O-])CC1	REAL300005515984	0	40	0.0	-87.46	321.73	8.20	-79.26
CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1(C(=O)[O-])CC1	REAL300005516001	0	48	0.0	-53.73	342.39	7.23	-46.50
CC[N@H+](CC1=CC=C(C(=O)N(C)C2(C(=O)[O-])CC2)C=C1)C(C)C	REAL300005516013	0	49	0.0	-87.58	357.83	10.49	-77.09
CC[N@@H+](CC1=CC=C(C(=O)N(C)C2(C(=O)[O-])CC2)C=C1)C(C)C	REAL300005516013	1	49	0.0	-89.87	348.43	9.94	-79.93
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CC1	REAL300005516027	0	44	0.0	-72.18	334.58	10.11	-62.07
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CC1	REAL300005516027	1	44	0.0	-73.19	336.05	10.16	-63.03
CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C1(C(=O)[O-])CC1	REAL300005516028	0	45	0.0	-84.80	331.37	9.32	-75.48
CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1(C(=O)[O-])CC1	REAL300005516045	0	48	0.0	-70.46	326.89	7.37	-63.09
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1(C(=O)[O-])CC1	REAL300005516052	0	50	0.0	-42.80	367.03	10.80	-32.00
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1(C(=O)[O-])CC1	REAL300005516052	1	50	0.0	-62.35	368.81	11.80	-50.55
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1(C(=O)[O-])CC1	REAL300005516086	0	44	0.0	-92.27	335.43	10.15	-82.12
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1(C(=O)[O-])CC1	REAL300005516089	0	47	0.0	-79.60	352.96	10.86	-68.74
CCN1CCC([NH+]2CCC(C(=O)N(C)C3(C(=O)[O-])CC3)CC2)CC1	REAL300005516094	0	55	0.0	-79.37	385.17	8.44	-70.93
CC1C[NH+](CC2=CC=C(C(=O)N(C)C3(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300005516099	1	51	0.0	-95.22	385.49	9.89	-85.33
CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1(C(=O)[O-])CC1	REAL300005516108	1	48	0.0	-86.75	362.40	10.05	-76.70
CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1(C(=O)[O-])CC1	REAL300005516108	1	48	0.0	-80.96	358.87	9.59	-71.37
CC1=C(C(=O)N(C)C2(C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300005516120	1	38	0.0	-85.09	309.23	7.38	-77.71
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1(C(=O)[O-])CC1	REAL300005516123	0	47	0.0	-92.53	352.18	10.86	-81.67
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1(C(=O)[O-])CC1	REAL300005516134	1	45	0.0	-65.91	337.73	9.05	-56.86
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1(C(=O)[O-])CC1	REAL300005516134	1	45	0.0	-80.26	345.48	9.31	-70.95
CC(C(=O)N(C)C1(C(=O)[O-])CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005516142	0	53	0.0	-67.33	380.62	11.73	-55.60
COCCOCC[N@H+](C)CCC(=O)N(C)C1(C(=O)[O-])CC1	REAL300005516158	0	47	0.0	-72.35	363.02	6.50	-65.85
COCCOCC[N@@H+](C)CCC(=O)N(C)C1(C(=O)[O-])CC1	REAL300005516158	1	47	0.0	-73.13	363.03	6.53	-66.60
CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1(C(=O)[O-])CC1	REAL300005516163	0	52	0.0	-79.30	389.15	10.03	-69.27
CC(C)[NH+]1CCN(CCCC(=O)N(C)C2(C(=O)[O-])CC2)CC1	REAL300005516179	0	51	0.0	-77.30	366.59	7.49	-69.81
CC(C)N1CC[NH+](CCCC(=O)N(C)C2(C(=O)[O-])CC2)CC1	REAL300005516179	1	51	0.0	-75.12	368.19	7.66	-67.46
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C3(C(=O)[O-])CC3)CC2)=C1	REAL300005516183	0	52	0.0	-75.38	389.06	9.90	-65.48
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1(C(=O)[O-])CC1	REAL300005516184	0	49	0.0	-75.38	367.64	9.23	-66.15
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1(C(=O)[O-])CC1	REAL300005516186	0	46	0.0	-42.79	336.64	8.07	-34.72
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1(C(=O)[O-])CC1	REAL300005516186	1	46	0.0	-71.69	339.73	9.09	-62.60
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CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCC3)C=C2)CCO1	REAL300005526051	1	51	0.0	-84.71	381.73	8.50	-76.21
CC1(C)CC(NC(=O)C2CC[NH+](C3CC3)CC2)(C(=O)[O-])CC(C)(C)O1	REAL300005527928	0	57	0.0	-70.56	403.66	10.02	-60.54
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CC(C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)N1CC[NH+](C)CC1	REAL300005528014	1	58	0.0	-70.33	403.08	6.72	-63.61
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CC1(C)CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528131	0	48	0.0	-71.56	360.00	10.42	-61.14
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CCCCC1	REAL300005528159	0	62	0.0	-58.43	386.89	9.77	-48.66
C[N@H+](CCC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CCCCC1	REAL300005528163	0	62	0.0	-67.52	428.21	10.55	-56.97
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C[N@@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528176	0	50	0.0	-58.87	351.74	7.75	-51.12
C[N@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528176	1	50	0.0	-54.36	345.34	7.22	-47.14
C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528220	0	53	0.0	-73.77	374.44	8.57	-65.20
CC1(C)CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528223	0	56	0.0	-83.44	419.07	9.54	-73.90
CC1(C)CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)(C(=O)[O-])CC(C)(C)O1	REAL300005528234	0	64	0.0	-78.93	441.57	9.18	-69.75
CC1=[NH+]C=CN1CCCC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528265	1	54	0.0	-68.83	400.60	9.83	-59.00
CC1(C)CC(NC(=O)CCCC[NH+]2CCOCC2)(C(=O)[O-])CC(C)(C)O1	REAL300005528266	1	60	0.0	-75.74	428.08	8.56	-67.18
C[C@@H](C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[NH+](C)C	REAL300005528270	0	49	0.0	-63.44	345.49	7.21	-56.23
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528271	0	50	0.0	-55.01	344.32	7.12	-47.89
C[N@H+]1CCC[C@@H]1C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528271	1	50	0.0	-59.64	355.51	7.88	-51.76
C[C@H](C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[NH+](C)C	REAL300005528273	0	49	0.0	-63.16	346.32	7.28	-55.88
CC1(C)CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528304	0	60	0.0	-66.79	434.49	11.34	-55.45
CC1(C)CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528304	1	60	0.0	-69.80	429.98	11.17	-58.63
CC1(C)CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)(C(=O)[O-])CC(C)(C)O1	REAL300005528305	0	61	0.0	-74.95	429.65	10.53	-64.42
CC1(C)CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)(C(=O)[O-])CC(C)(C)O1	REAL300005528327	0	64	0.0	-68.34	426.54	8.58	-59.76
CCC(C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[NH+](CC)CC	REAL300005528331	0	58	0.0	-55.06	390.50	8.88	-46.18
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300005528333	0	59	0.0	-64.11	421.91	10.79	-53.32
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005528333	1	59	0.0	-64.21	421.67	10.75	-53.46
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C=N1	REAL300005528353	0	55	0.0	-81.44	403.78	8.93	-72.51
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528356	0	64	0.0	-69.78	447.90	10.89	-58.89
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528365	1	54	0.0	-56.75	392.82	9.50	-47.25
CC1(C)CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528377	0	60	0.0	-84.04	432.80	11.56	-72.48
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528383	0	53	0.0	-51.40	374.24	8.66	-42.74
C[NH+](C)CCCCC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528390	0	55	0.0	-75.12	395.18	9.10	-66.02
CC1=C(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C=NN1C1=CC=[NH+]C=C1	REAL300005528407	1	54	0.0	-81.29	405.62	8.74	-72.55
CC1(C)CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528419	1	56	0.0	-79.15	414.30	9.16	-69.99
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C=C1	REAL300005528420	0	59	0.0	-87.69	430.48	11.26	-76.43
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528425	1	52	0.0	-60.19	377.97	7.79	-52.40
CCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528432	0	52	0.0	-60.21	368.94	8.27	-51.94
CCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528432	1	52	0.0	-59.87	369.04	8.28	-51.59
C[N@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CCC1	REAL300005528446	0	53	0.0	-56.93	375.85	8.84	-48.09
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CCC1	REAL300005528446	1	53	0.0	-58.52	375.97	8.80	-49.72
C[N@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)CC(C)(C)C	REAL300005528469	0	58	0.0	-59.39	397.67	9.26	-50.13
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)CC(C)(C)C	REAL300005528469	1	58	0.0	-59.99	399.76	9.42	-50.57
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528471	0	59	0.0	-62.71	428.99	11.26	-51.45
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528471	1	59	0.0	-62.78	428.85	11.29	-51.49
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528472	0	63	0.0	-66.82	457.98	7.51	-59.31
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528472	1	63	0.0	-70.21	457.99	7.59	-62.62
CC[C@@H](C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[NH+](C)C	REAL300005528475	0	52	0.0	-59.69	360.04	7.79	-51.90
C[N@@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005528477	0	57	0.0	-57.58	390.38	6.63	-50.95
C[N@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005528477	1	57	0.0	-65.63	400.16	6.81	-58.82
CCCCCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528489	0	61	0.0	-61.13	433.54	10.62	-50.51
CCCCCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528489	1	61	0.0	-60.90	433.43	10.60	-50.30
CC1(C)CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528503	1	48	0.0	-79.54	360.27	10.43	-69.11
C[N@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CCSC1	REAL300005528511	0	54	0.0	-65.90	389.30	9.10	-56.80
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CCSC1	REAL300005528511	1	54	0.0	-61.39	389.10	9.08	-52.31
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528525	0	64	0.0	-73.85	445.06	8.11	-65.74
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528525	1	64	0.0	-67.22	444.55	8.12	-59.10
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528526	0	67	0.0	-72.86	461.57	8.50	-64.36
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528526	1	67	0.0	-70.52	463.17	8.74	-61.78
CC1(C)CC(NC(=O)C2CCCC3CCC[N@@H+]32)(C(=O)[O-])CC(C)(C)O1	REAL300005528527	0	57	0.0	-55.48	382.67	9.27	-46.21
CC1(C)CC(NC(=O)C2CCCC3CCC[N@H+]32)(C(=O)[O-])CC(C)(C)O1	REAL300005528527	1	57	0.0	-58.49	382.71	9.19	-49.30
C[NH+](C)CCN1C=C(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C=N1	REAL300005528529	0	56	0.0	-82.36	413.53	8.41	-73.95
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005528537	1	60	0.0	-61.33	423.74	11.28	-50.05
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005528537	1	60	0.0	-59.56	425.27	11.36	-48.20
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300005528564	0	56	0.0	-88.86	414.52	8.43	-80.43
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528565	0	56	0.0	-58.89	409.20	8.32	-50.57
C[C@@H]1[C@H](C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC[N@@H+]1C	REAL300005528567	0	53	0.0	-64.86	359.64	7.84	-57.02
C[C@@H]1[C@H](C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC[N@H+]1C	REAL300005528567	1	53	0.0	-64.13	364.11	7.91	-56.22
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528568	1	57	0.0	-63.33	415.80	10.03	-53.30
CC[C@@H]1[C@@H](C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC[N@@H+]1C	REAL300005528571	0	56	0.0	-67.88	384.84	8.51	-59.37
CC[C@@H]1[C@@H](C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC[N@H+]1C	REAL300005528571	1	56	0.0	-67.75	388.48	8.65	-59.10
CC1C[N@H+](C)CC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)O1	REAL300005528578	1	54	0.0	-83.32	379.70	7.63	-75.69
CC1C[N@@H+](C)CC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)O1	REAL300005528578	1	54	0.0	-77.27	381.13	7.32	-69.95
CC1(C)CC(NC(=O)C[NH+]2CCCC2)(C(=O)[O-])CC(C)(C)O1	REAL300005528584	0	50	0.0	-60.16	355.33	7.98	-52.18
CC1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528586	1	48	0.0	-57.76	359.29	8.54	-49.22
CC(C[NH+]1CCOCC1)C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528588	1	57	0.0	-67.80	399.24	7.60	-60.20
CC1CC[NH+](CC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528607	0	56	0.0	-60.24	392.38	9.35	-50.89
CC[N@@H+]1CCOC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005528618	1	54	0.0	-73.66	384.35	7.63	-66.03
CC[N@H+]1CCOC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005528618	1	54	0.0	-53.66	374.42	7.45	-46.21
CC1(C)CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528647	0	63	0.0	-68.53	430.95	10.71	-57.82
CC1(C)CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528647	1	63	0.0	-63.25	434.81	10.81	-52.44
C[N@@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528653	0	56	0.0	-74.31	397.12	9.37	-64.94
C[N@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528653	1	56	0.0	-74.42	393.57	9.29	-65.13
CC1(C)CC(NC(=O)C2CCC3CCCC[N@@H+]32)(C(=O)[O-])CC(C)(C)O1	REAL300005528664	0	57	0.0	-58.54	396.17	9.68	-48.86
CC1(C)CC(NC(=O)C2CCC3CCCC[N@H+]32)(C(=O)[O-])CC(C)(C)O1	REAL300005528664	1	57	0.0	-62.96	387.40	9.07	-53.89
CC[NH+](CC)CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528683	0	52	0.0	-58.24	361.40	7.95	-50.29
CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528685	0	59	0.0	-70.20	405.06	9.57	-60.63
CC1(C)CC(NC(=O)C23CC[NH+](CC2)C3)(C(=O)[O-])CC(C)(C)O1	REAL300005528751	0	51	0.0	-72.95	361.22	7.47	-65.48
CCC(C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[NH+](C)C	REAL300005528754	0	52	0.0	-55.86	358.11	7.69	-48.17
CC1(C)CC(NC(=O)C23CC[N@H+](C2)CCC3)(C(=O)[O-])CC(C)(C)O1	REAL300005528761	0	54	0.0	-73.64	368.28	7.94	-65.70
CC1(C)CC(NC(=O)C23CC[N@@H+](C2)CCC3)(C(=O)[O-])CC(C)(C)O1	REAL300005528761	1	54	0.0	-70.69	371.59	8.10	-62.59
CC1CCC(C)[NH+]1CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528796	0	56	0.0	-56.27	379.84	8.57	-47.70
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=C1	REAL300005528797	0	56	0.0	-78.08	408.00	10.46	-67.62
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528844	0	55	0.0	-74.48	399.11	9.71	-64.77
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528846	0	61	0.0	-75.56	428.32	7.60	-67.96
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005528846	1	61	0.0	-67.04	428.42	7.62	-59.42
CC(C)[N@H+](C)CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528847	0	52	0.0	-57.10	364.05	8.06	-49.04
CC(C)[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528847	1	52	0.0	-57.20	364.26	8.02	-49.18
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528852	1	57	0.0	-62.34	415.27	10.12	-52.22
CC[N@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CC1	REAL300005528859	0	53	0.0	-57.88	379.06	8.89	-48.99
CC[N@@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CC1	REAL300005528859	1	53	0.0	-56.29	374.61	8.64	-47.65
CC(C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[NH+]1CCCCCC1	REAL300005528882	0	59	0.0	-57.95	396.02	9.17	-48.78
C[N@@H+]1CCC[C@H]1C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528885	0	50	0.0	-57.84	350.83	7.69	-50.15
C[N@H+]1CCC[C@H]1C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528885	1	50	0.0	-54.62	345.44	7.27	-47.35
CC(C)(C)[NH2+]CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005528949	0	52	0.0	-58.35	368.77	6.69	-51.66
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)O1	REAL300005528951	0	59	0.0	-79.67	430.02	10.13	-69.54
CC1(C)CC(NC(=O)CCCC[NH+]2CCCC2)(C(=O)[O-])CC(C)(C)O1	REAL300005528952	0	59	0.0	-73.00	421.14	10.28	-62.72
C[N@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)CC1=CC=CC=C1	REAL300005528954	1	56	0.0	-63.91	406.37	10.45	-53.46
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)CC1=CC=CC=C1	REAL300005528954	1	56	0.0	-63.89	406.57	10.42	-53.47
CC1(C)CC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528978	1	51	0.0	-79.27	389.12	8.38	-70.89
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=NO1	REAL300005528997	1	52	0.0	-80.88	387.89	7.96	-72.92
CC(C)[N@@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005529010	0	56	0.0	-60.06	364.48	7.45	-52.61
CC(C)[N@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300005529010	1	56	0.0	-59.21	383.83	8.76	-50.45
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005529026	0	57	0.0	-79.34	409.64	8.65	-70.69
CC1(C)CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)(C(=O)[O-])CC(C)(C)O1	REAL300005529030	0	60	0.0	-78.91	434.59	10.57	-68.34
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529163	0	59	0.0	-67.96	413.55	9.96	-58.00
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529163	1	59	0.0	-66.22	412.64	9.94	-56.28
CC1(C)CC(NC(=O)C[NH+]2CCC(CO)CC2)(C(=O)[O-])CC(C)(C)O1	REAL300005529185	1	57	0.0	-62.85	403.65	6.00	-56.85
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529346	0	59	0.0	-66.37	408.69	9.75	-56.62
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529346	1	59	0.0	-52.71	398.86	9.72	-42.99
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C(C(F)(F)F)C1	REAL300005529347	0	53	0.0	-75.65	379.56	7.83	-67.82
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C(C(F)(F)F)C1	REAL300005529347	1	53	0.0	-79.59	376.39	8.07	-71.52
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)N1	REAL300005529368	1	54	0.0	-62.70	400.07	8.19	-54.51
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=C1	REAL300005529727	0	59	0.0	-80.70	430.45	11.30	-69.40
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C=C1	REAL300005529733	0	60	0.0	-85.24	437.79	10.19	-75.05
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529845	0	53	0.0	-67.35	376.93	8.58	-58.77
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300005529849	0	59	0.0	-53.13	398.13	9.36	-43.77
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CC(C)(C)OC(C)(C)C3)=CN21	REAL300005529853	0	51	0.0	-68.34	381.38	10.23	-58.11
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529902	0	62	0.0	-54.84	417.55	10.55	-44.29
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529902	1	62	0.0	-65.54	430.03	10.64	-54.90
CC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529903	0	56	0.0	-65.78	389.92	9.12	-56.66
CC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529903	1	56	0.0	-53.43	381.67	9.19	-44.24
C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529908	0	53	0.0	-68.15	372.71	8.45	-59.70
C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300005529908	1	53	0.0	-67.83	371.27	8.44	-59.39
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)O1	REAL300005529910	1	53	0.0	-82.78	393.30	8.65	-74.13
CC1(C)CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)(C(=O)[O-])CC(C)(C)O1	REAL300005529918	1	55	0.0	-67.99	386.90	9.86	-58.13
CC1(C)CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)(C(=O)[O-])CC(C)(C)O1	REAL300005529918	1	55	0.0	-64.58	368.68	8.39	-56.19
COCC1(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300005529989	0	53	0.0	-47.34	382.93	7.26	-40.08
COCC1(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300005529989	1	53	0.0	-44.60	381.03	6.83	-37.77
O=C([O-])C1=CC=C(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C=C1	REAL300005530061	0	45	0.0	-72.61	342.40	6.23	-66.38
O=C([O-])COC1=CC=CC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=C1	REAL300005530062	0	49	0.0	-81.76	370.62	6.30	-75.46
O=C([O-])C1=CC=CC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=C1	REAL300005530063	0	45	0.0	-81.26	341.82	6.09	-75.17
O=C([O-])C1=CC=C(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)S1	REAL300005530064	1	42	0.0	-66.47	334.10	5.37	-61.10
O=C([O-])C1=CC=CC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=N1	REAL300005530065	1	44	0.0	-50.99	337.17	5.28	-45.71
CC(SC1=CC=CC=C1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)[O-]	REAL300005530066	1	52	0.0	-79.17	399.59	7.91	-71.26
CCOC1=CC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=CC=C1OCC(=O)[O-]	REAL300005530067	0	56	0.0	-80.15	421.74	6.98	-73.17
O=C([O-])C1=CC=C(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C=C1	REAL300005530068	0	51	0.0	-78.61	387.94	8.04	-70.57
O=C([O-])C1=CC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=CC=N1	REAL300005530069	1	44	0.0	-87.01	335.46	4.25	-82.76
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O=C([O-])C1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCC1	REAL300005530106	0	48	0.0	-50.46	335.19	5.46	-45.00
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2=C1	REAL300005530107	0	58	0.0	-71.04	420.44	9.33	-61.71
CC1=C(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C=C(C(=O)[O-])O1	REAL300005530108	1	45	0.0	-64.54	345.97	5.46	-59.08
CC1=C(C(=O)[O-])OC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=C1	REAL300005530109	1	45	0.0	-57.44	343.50	5.54	-51.90
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C[C@@H]1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)O[C@H]1C(=O)[O-]	REAL300005530118	1	49	0.0	-81.39	356.44	5.42	-75.97
CC(C)(CCC(=O)[O-])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300005530119	0	50	0.0	-81.44	351.34	5.52	-75.92
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O=C([O-])CCC1=CC=CC=C1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300005530123	0	51	0.0	-74.16	380.90	7.64	-66.52
O=C([O-])C1=C(COCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)OC=N1	REAL300005530124	0	48	0.0	-83.70	374.97	2.33	-81.37
O=C([O-])C1=CC=C(C=CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)O1	REAL300005530125	0	46	0.0	-67.66	361.68	6.32	-61.34
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1	REAL300005530126	0	48	0.0	-81.57	345.11	5.87	-75.70
CC1=CC=C(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C=C1C(=O)[O-]	REAL300005530127	0	48	0.0	-85.10	359.74	6.78	-78.32
O=C([O-])C1=CN=CC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=C1	REAL300005530128	1	44	0.0	-58.24	336.28	4.40	-53.84
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300005530129	1	47	0.0	-60.83	355.05	5.01	-55.82
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O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)O1	REAL300005530132	1	52	0.0	-86.28	383.29	6.14	-80.14
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1	REAL300005530133	0	52	0.0	-75.83	384.59	5.35	-70.48
CC1=C(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)OC(C(=O)[O-])=C1	REAL300005530134	1	45	0.0	-59.47	343.21	5.51	-53.96
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O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300005530136	0	51	0.0	-68.86	354.21	6.97	-61.89
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CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300005530143	0	48	0.0	-62.64	359.79	6.83	-55.81
CC1(C(=O)[O-])CC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1	REAL300005530144	0	48	0.0	-63.54	350.32	5.90	-57.64
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O=C([O-])C1=NNC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=C1	REAL300005530146	1	42	0.0	-78.78	322.59	2.99	-75.79
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300005530147	1	47	0.0	-70.50	350.15	4.87	-65.63
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COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=C1	REAL300005530151	1	48	0.0	-49.74	366.89	4.60	-45.14
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300005530152	0	46	0.0	-74.44	341.01	5.42	-69.02
O=C([O-])C1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC=CC1	REAL300005530153	0	46	0.0	-53.16	330.61	5.49	-47.67
O=C([O-])CCC1=CC=C(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C=C1	REAL300005530154	0	51	0.0	-73.77	385.01	7.77	-66.00
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CC1=C(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C=C(C(=O)[O-])S1	REAL300005530159	1	45	0.0	-62.58	352.51	6.05	-56.53
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C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2C(C)C)CC1	REAL300005535159	1	50	0.0	-64.67	343.77	9.18	-55.49
C=CCC1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)CC1	REAL300005535166	0	58	0.0	-75.87	433.92	11.45	-64.42
C=CCC1(C(=O)[O-])CCN(C(=O)COC2CC[NH+](C)CC2)CC1	REAL300005535187	0	51	0.0	-78.52	374.86	9.20	-69.32
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300005535192	0	54	0.0	-73.62	396.15	10.61	-63.01
C=CCC1(C(=O)[O-])CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CC1	REAL300005535237	0	56	0.0	-77.73	406.79	10.16	-67.57
C=CCC1(C(=O)[O-])CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CC1	REAL300005535237	1	56	0.0	-62.11	402.83	10.00	-52.11
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CCC)C2)CC1	REAL300005535389	0	53	0.0	-68.67	376.15	9.91	-58.76
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CCC)C2)CC1	REAL300005535389	1	53	0.0	-70.42	378.12	9.97	-60.45
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC(C)C)CC1	REAL300005535422	0	53	0.0	-65.97	375.62	10.04	-55.93
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC(C)C)CC1	REAL300005535422	1	53	0.0	-64.25	371.95	9.67	-54.58
C=CCC1(C(=O)[O-])CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300005535423	0	51	0.0	-68.51	366.28	6.13	-62.38
C=CCC1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300005535525	0	58	0.0	-67.03	417.98	12.22	-54.81
C=CCC1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300005535525	1	58	0.0	-72.59	421.13	12.21	-60.38
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300005535566	1	57	0.0	-72.16	418.37	12.24	-59.92
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300005535566	1	57	0.0	-66.26	415.31	12.11	-54.15
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](C(C)C)C2)CC1	REAL300005535663	0	53	0.0	-68.34	373.24	9.74	-58.60
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](C(C)C)C2)CC1	REAL300005535663	1	53	0.0	-64.73	371.26	9.70	-55.03
C=CCC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)CC1	REAL300005535664	0	47	0.0	-68.28	346.80	8.21	-60.07
C=CCC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)CC1	REAL300005535664	1	47	0.0	-76.65	343.44	9.00	-67.65
C=CCC1(C(=O)[O-])CCN(C(=O)CCC2=[NH+]C(C)=C(C)N2)CC1	REAL300005535688	1	48	0.0	-66.44	365.17	8.36	-58.08
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)CC1	REAL300005536193	0	53	0.0	-73.42	392.34	10.98	-62.44
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)CC1	REAL300005536201	0	54	0.0	-77.14	399.16	9.90	-67.24
C=CCC1(C(=O)[O-])CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300005536302	0	60	0.0	-72.47	432.21	12.96	-59.51
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)CC1	REAL300005536304	0	58	0.0	-83.31	426.54	10.41	-72.90
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)CC1	REAL300005536304	1	58	0.0	-83.27	426.53	10.41	-72.86
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)CC1	REAL300005536304	1	58	0.0	-83.27	426.53	10.41	-72.86
C=CCC1(C(=O)[O-])CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC1	REAL300005536351	0	53	0.0	-68.14	362.54	9.43	-58.71
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CN3C(C)=[NH+]C=C3C=C2)CC1	REAL300005536355	0	45	0.0	-71.33	351.10	10.18	-61.15
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC(C)C)C2)CC1	REAL300005536419	0	56	0.0	-61.14	384.00	10.70	-50.44
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC(C)C)C2)CC1	REAL300005536419	1	56	0.0	-68.17	394.67	10.59	-57.58
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC)C2)CC1	REAL300005536420	0	50	0.0	-67.32	354.16	9.15	-58.17
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC)C2)CC1	REAL300005536420	1	50	0.0	-67.94	356.59	9.22	-58.72
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)CC1	REAL300005536426	1	47	0.0	-75.76	355.60	8.84	-66.92
C=CCC1(C(=O)[O-])CCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CC1	REAL300005536432	0	56	0.0	-73.08	378.02	9.52	-63.56
C=CCC1(C(=O)[O-])CCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CC1	REAL300005536432	1	56	0.0	-74.84	367.40	9.14	-65.70
C=CCC1(C(=O)[O-])CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300005536435	1	49	0.0	-67.56	349.07	9.96	-57.60
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537211	0	51	0.0	-69.13	383.29	10.96	-58.17
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2C2CC2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537225	0	48	0.0	-59.89	376.12	10.82	-49.07
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2C2CC2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537225	1	48	0.0	-59.55	367.17	10.22	-49.33
C[NH+](C)CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537263	0	40	0.0	-63.15	318.34	8.36	-54.79
C[N@@H+]1CCCCC1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537264	0	47	0.0	-62.57	350.71	9.58	-52.99
C[N@H+]1CCCCC1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537264	1	47	0.0	-59.58	362.37	10.08	-49.50
CC(C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300005537265	1	52	0.0	-69.79	388.36	8.01	-61.78
C[N@@H+]1CCCC[C@H]1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537285	0	47	0.0	-59.08	360.84	10.03	-49.05
C[N@H+]1CCCC[C@H]1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537285	1	47	0.0	-65.29	354.52	9.76	-55.53
C[NH+]1CCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC1	REAL300005537305	0	47	0.0	-72.53	358.41	9.74	-62.79
O=C([O-])C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537323	0	42	0.0	-69.84	353.26	11.72	-58.12
C[N@@H+]1CCCC1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537348	0	44	0.0	-60.70	342.46	9.21	-51.49
C[N@H+]1CCCC1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537348	1	44	0.0	-59.70	338.22	9.16	-50.54
C[NH+]1CCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC1	REAL300005537379	0	47	0.0	-72.53	358.41	9.74	-62.79
CC1=[NH+]C=CN1CCCC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537401	1	48	0.0	-64.99	389.31	11.32	-53.67
C[C@@H](C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)[NH+](C)C	REAL300005537405	0	43	0.0	-60.97	333.30	8.65	-52.32
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537406	0	44	0.0	-63.30	339.19	8.99	-54.31
C[N@H+]1CCC[C@@H]1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537406	1	44	0.0	-58.97	338.65	9.12	-49.85
C[C@H](C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)[NH+](C)C	REAL300005537410	0	43	0.0	-59.67	333.57	8.73	-50.94
C[NH+](C)C1(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC1	REAL300005537418	0	44	0.0	-63.86	339.41	8.85	-55.01
CCC(C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)[NH+](CC)CC	REAL300005537466	0	52	0.0	-55.02	378.37	10.26	-44.76
C[N@@H+]1CCOC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005537477	1	45	0.0	-75.10	351.13	8.62	-66.48
C[N@H+]1CCOC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005537477	1	45	0.0	-55.87	352.06	8.67	-47.20
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537483	1	48	0.0	-57.79	383.98	11.11	-46.68
C[NH+](C)CC1(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC1	REAL300005537490	0	47	0.0	-59.71	364.45	9.85	-49.86
C[NH+](C)CCCCC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537494	0	49	0.0	-70.68	383.71	10.56	-60.12
CC(C)C(C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)[NH+](C)C	REAL300005537504	0	49	0.0	-61.96	358.81	9.83	-52.13
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537516	1	46	0.0	-56.99	368.85	8.92	-48.07
CCC[N@H+](C)CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537520	0	46	0.0	-61.93	357.57	9.76	-52.17
CCC[N@@H+](C)CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537520	1	46	0.0	-61.93	357.56	9.76	-52.17
C[N@H+](CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)C1CCC1	REAL300005537532	0	47	0.0	-59.37	364.44	10.34	-49.03
C[N@@H+](CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)C1CCC1	REAL300005537532	1	47	0.0	-61.88	366.71	10.42	-51.46
C[N@H+](CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)CC(C)(C)C	REAL300005537542	0	52	0.0	-61.34	386.17	10.77	-50.57
C[N@@H+](CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)CC(C)(C)C	REAL300005537542	1	52	0.0	-61.07	388.12	10.92	-50.15
CC[C@@H](C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)[NH+](C)C	REAL300005537544	0	46	0.0	-58.33	341.62	9.16	-49.17
O=C([O-])C1CN(C(=O)C23CCC[NH+]2CCC3)CC2=C1C=CC=C2C(F)(F)F	REAL300005537568	0	48	0.0	-42.93	346.50	9.69	-33.24
O=C([O-])C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537574	1	42	0.0	-72.85	353.40	11.76	-61.09
O=C([O-])C1CN(C(=O)C2CCCC3CCC[N@@H+]32)CC2=C1C=CC=C2C(F)(F)F	REAL300005537590	0	51	0.0	-60.63	373.45	10.57	-50.06
O=C([O-])C1CN(C(=O)C2CCCC3CCC[N@H+]32)CC2=C1C=CC=C2C(F)(F)F	REAL300005537590	1	51	0.0	-60.34	374.49	10.55	-49.79
CCCC(C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)[NH+](C)C	REAL300005537603	0	49	0.0	-60.46	370.86	10.19	-50.27
C[C@@H]1[C@H](C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC[N@@H+]1C	REAL300005537610	0	47	0.0	-68.08	352.52	9.83	-58.25
C[C@@H]1[C@H](C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC[N@H+]1C	REAL300005537610	1	47	0.0	-68.07	361.13	9.99	-58.08
CC[C@@H]1[C@@H](C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC[N@@H+]1C	REAL300005537613	0	50	0.0	-68.42	369.64	9.84	-58.58
CC[C@@H]1[C@@H](C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC[N@H+]1C	REAL300005537613	1	50	0.0	-68.94	377.53	10.23	-58.71
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537615	1	46	0.0	-56.43	363.51	10.13	-46.30
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537615	1	46	0.0	-61.67	368.00	10.44	-51.23
CC1C[N@H+](C)CC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)O1	REAL300005537618	1	48	0.0	-65.67	365.28	9.15	-56.52
CC1C[N@@H+](C)CC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)O1	REAL300005537618	1	48	0.0	-55.22	372.26	9.34	-45.88
O=C([O-])C1CN(C(=O)C[NH+]2CCCC2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537622	0	44	0.0	-60.90	342.50	9.47	-51.43
CC1=[NH+]C=CN1CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537624	1	42	0.0	-61.77	349.83	10.01	-51.76
CC1CC[NH+](CC(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC1	REAL300005537640	0	50	0.0	-61.83	381.03	10.85	-50.98
CC[N@@H+]1CCOC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005537644	1	48	0.0	-58.68	361.76	9.08	-49.60
CC[N@H+]1CCOC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005537644	1	48	0.0	-52.72	365.61	9.22	-43.50
C[N@@H+]1CCCC1CCC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537657	0	50	0.0	-69.48	382.17	10.48	-59.00
C[N@H+]1CCCC1CCC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537657	1	50	0.0	-68.76	382.42	10.53	-58.23
O=C([O-])C1CN(C(=O)C23CCC[NH+](CCC2)C3)CC2=C1C=CC=C2C(F)(F)F	REAL300005537663	0	51	0.0	-68.85	364.11	9.98	-58.87
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537664	0	48	0.0	-44.59	353.56	5.86	-38.73
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537664	1	48	0.0	-59.93	354.81	6.14	-53.79
O=C([O-])C1CN(C(=O)C2CCC3CCCC[N@@H+]32)CC2=C1C=CC=C2C(F)(F)F	REAL300005537665	0	51	0.0	-56.19	380.21	11.06	-45.13
O=C([O-])C1CN(C(=O)C2CCC3CCCC[N@H+]32)CC2=C1C=CC=C2C(F)(F)F	REAL300005537665	1	51	0.0	-58.05	378.03	10.80	-47.25
CC[NH+](CC)CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537672	0	46	0.0	-59.90	349.92	9.44	-50.46
CC(C)[NH+]1CCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC1	REAL300005537673	0	53	0.0	-69.22	392.73	10.93	-58.29
O=C([O-])C1CN(C(=O)C23CC[NH+](CC2)C3)CC2=C1C=CC=C2C(F)(F)F	REAL300005537708	0	45	0.0	-57.72	343.67	8.68	-49.04
CCC(C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)[NH+](C)C	REAL300005537711	0	46	0.0	-57.64	345.18	9.25	-48.39
O=C([O-])C1CN(C(=O)C23CC[N@H+](C2)CCC3)CC2=C1C=CC=C2C(F)(F)F	REAL300005537714	0	48	0.0	-68.22	347.94	9.12	-59.10
O=C([O-])C1CN(C(=O)C23CC[N@@H+](C2)CCC3)CC2=C1C=CC=C2C(F)(F)F	REAL300005537714	1	48	0.0	-68.76	348.38	9.12	-59.64
CC1CCC(C)[NH+]1CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537735	0	50	0.0	-57.39	375.06	10.23	-47.16
C[NH+](C)C1(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CCC1	REAL300005537754	0	47	0.0	-63.25	341.19	9.33	-53.92
C#CC[NH+]1CCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC1	REAL300005537766	0	49	0.0	-72.48	383.07	10.90	-61.58
CCC[N@@H+]1CCCCC1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537767	0	53	0.0	-58.50	400.27	11.41	-47.09
CCC[N@H+]1CCCCC1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537767	1	53	0.0	-58.95	401.68	11.47	-47.48
CC(C)[N@H+](C)CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537768	0	46	0.0	-61.91	356.30	9.70	-52.21
CC(C)[N@@H+](C)CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537768	1	46	0.0	-59.02	352.75	9.55	-49.47
CC[N@H+](CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)C1CC1	REAL300005537777	0	47	0.0	-60.59	370.48	10.53	-50.06
CC[N@@H+](CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)C1CC1	REAL300005537777	1	47	0.0	-59.24	364.80	10.37	-48.87
CC(C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300005537786	0	53	0.0	-59.72	387.89	10.82	-48.90
C[N@@H+]1CCC[C@H]1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537788	0	44	0.0	-59.55	342.67	9.24	-50.31
C[N@H+]1CCC[C@H]1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537788	1	44	0.0	-58.20	336.78	8.91	-49.29
CC(C)(C)[NH2+]CC(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537823	0	46	0.0	-60.28	357.29	8.08	-52.20
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCCC2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537824	0	53	0.0	-69.08	409.71	11.75	-57.33
CC(C)[C@@H](C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1)[NH+](C)C	REAL300005537831	0	49	0.0	-61.22	357.36	10.02	-51.20
C[NH+](C)CC1=CC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)=NO1	REAL300005537850	1	46	0.0	-76.29	373.00	9.66	-66.63
CC(C)[N@@H+]1CCCC1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537857	0	50	0.0	-57.71	369.93	10.19	-47.52
CC(C)[N@H+]1CCCC1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537857	1	50	0.0	-56.79	377.63	10.27	-46.52
CCC[N@@H+]1CCCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005537935	0	53	0.0	-64.95	396.57	11.08	-53.87
CCC[N@H+]1CCCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005537935	1	53	0.0	-58.24	390.39	11.26	-46.98
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537948	0	53	0.0	-48.96	405.66	11.60	-37.36
CC(C)C[N@H+]1CCCC1C(=O)N1CC2=C(C=CC=C2C(F)(F)F)C(C(=O)[O-])C1	REAL300005537948	1	53	0.0	-62.78	393.04	11.65	-51.13
CC(C)[N@@H+]1CCCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005538030	0	53	0.0	-66.54	398.44	11.12	-55.42
CC(C)[N@H+]1CCCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005538030	1	53	0.0	-64.34	395.75	11.02	-53.32
CC1=C(C)[NH+]=C(CCC(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)N1	REAL300005538043	1	48	0.0	-60.83	388.58	9.70	-51.13
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005538290	0	47	0.0	-71.26	371.03	10.24	-61.02
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)CC1	REAL300005538294	0	53	0.0	-58.31	389.27	10.92	-47.39
CC[N@@H+]1CCCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005538320	0	50	0.0	-67.08	378.17	10.42	-56.66
CC[N@H+]1CCCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005538320	1	50	0.0	-67.08	378.17	10.42	-56.66
C[N@@H+]1CCCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005538324	0	47	0.0	-63.89	353.02	9.77	-54.12
C[N@H+]1CCCC(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)C1	REAL300005538324	1	47	0.0	-63.89	353.02	9.77	-54.12
CN(C)CC1=CC=C(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)O1	REAL300005538326	0	47	0.0	-57.35	378.62	10.10	-47.25
C[NH+](C)CC1=CC=C(C(=O)N2CC3=C(C=CC=C3C(F)(F)F)C(C(=O)[O-])C2)O1	REAL300005538326	1	47	0.0	-57.35	378.62	10.10	-47.25
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC2=C1C=CC=C2C(F)(F)F	REAL300005538329	0	49	0.0	-58.54	375.78	10.86	-47.68
CN1C=NC=C1[C@@H]1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C[C@H]1CO	REAL300005538408	0	51	0.0	-57.22	382.72	6.57	-50.65
CN1C=NC=C1[C@@H]1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C[C@H]1CO	REAL300005538408	1	51	0.0	-57.22	382.72	6.57	-50.65
CC[NH+](CC)CCC(C)NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300005538460	0	49	0.0	-82.96	380.87	8.93	-74.03
CC[NH+](CC)CCC(C)NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300005538461	0	52	0.0	-84.93	397.86	10.09	-74.84
CCOC1=CC(C(=O)NC(C)CC[NH+](CC)CC)=CC=C1OCC(=O)[O-]	REAL300005538462	0	56	0.0	-80.46	427.56	9.30	-71.16
CC[NH+](CC)CCC(C)NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005538463	0	51	0.0	-78.71	396.22	10.06	-68.65
CC[NH+](CC)CCC(C)NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005538464	0	49	0.0	-78.83	384.67	9.75	-69.08
CC[NH+](CC)CCC(C)NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005538465	0	53	0.0	-78.50	428.88	4.95	-73.55
CC[NH+](CC)CCC(C)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005538466	0	47	0.0	-76.57	378.31	9.23	-67.34
CC[NH+](CC)CCC(C)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005538467	0	47	0.0	-76.57	378.31	9.23	-67.34
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1	REAL300005538468	0	55	0.0	-81.51	420.60	9.91	-71.60
CC[NH+](CC)CCC(C)NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005538469	0	52	0.0	-73.86	403.45	9.36	-64.50
CC[NH+](CC)CCC(C)NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005538470	0	51	0.0	-64.13	387.22	9.77	-54.36
CC[NH+](CC)CCC(C)NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300005538471	0	55	0.0	-77.54	420.69	10.18	-67.36
CC[NH+](CC)CCC(C)NC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300005538472	0	48	0.0	-87.88	370.17	9.00	-78.88
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300005538473	0	45	0.0	-75.79	350.01	8.41	-67.38
CC[NH+](CC)CCC(C)NC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300005538474	0	48	0.0	-86.97	370.26	9.02	-77.95
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1	REAL300005538475	0	47	0.0	-63.93	363.13	7.35	-56.58
CC[NH+](CC)CCC(C)NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300005538476	0	45	0.0	-78.24	371.44	9.18	-69.06
CC[NH+](CC)CCC(C)NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005538477	0	48	0.0	-80.19	371.98	9.41	-70.78
CC[NH+](CC)CCC(C)NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300005538478	0	55	0.0	-67.47	416.32	11.91	-55.56
CC[NH+](CC)CCC(C)NC(=O)C1=C(CC(=O)[O-])OC=C1C	REAL300005538479	0	48	0.0	-48.38	374.32	7.86	-40.52
CC[NH+](CC)CCC(C)NC(=O)CC1CCC(C(=O)[O-])CC1	REAL300005538480	0	54	0.0	-74.65	383.17	9.09	-65.56
CC[NH+](CC)CCC(C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300005538481	0	52	0.0	-84.68	379.46	8.72	-75.96
CC[NH+](CC)CCC(C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005538482	0	55	0.0	-77.07	393.36	9.55	-67.52
CC[NH+](CC)CCC(C)NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005538483	0	47	0.0	-72.51	372.02	7.88	-64.63
CC[NH+](CC)CCC(C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005538484	0	52	0.0	-85.55	397.64	9.04	-76.51
CC[NH+](CC)CCC(C)NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005538485	0	58	0.0	-68.84	424.52	11.23	-57.61
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300005538486	0	46	0.0	-63.95	365.04	7.92	-56.03
CC[NH+](CC)CCC(C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300005538487	0	52	0.0	-47.16	380.93	9.34	-37.82
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005538488	0	49	0.0	-74.87	380.79	8.94	-65.93
CC[NH+](CC)CCC(C)NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005538489	0	54	0.0	-88.52	413.90	8.91	-79.61
CC[NH+](CC)CCC(C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300005538490	0	49	0.0	-83.40	372.13	8.15	-75.25
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300005538491	0	48	0.0	-70.40	371.97	9.42	-60.98
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005538492	0	49	0.0	-79.73	381.87	9.93	-69.80
CC[NH+](CC)CCC(C)NC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300005538493	0	46	0.0	-75.26	368.86	8.11	-67.15
CC[NH+](CC)CCC(C)NC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300005538494	0	51	0.0	-82.68	380.13	9.86	-72.82
CC[NH+](CC)CCC(C)NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300005538495	0	48	0.0	-87.00	378.27	4.08	-82.92
CC[NH+](CC)CCC(C)NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300005538496	0	46	0.0	-69.39	370.40	8.45	-60.94
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300005538497	0	48	0.0	-85.99	361.63	8.89	-77.10
CC[NH+](CC)CCC(C)NC(=O)C1=CC(C(=O)[O-])=CN=C1C	REAL300005538498	0	47	0.0	-59.58	360.93	7.45	-52.13
CC[NH+](CC)CCC(C)NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005538499	0	51	0.0	-93.28	399.48	8.18	-85.10
CC[NH+](CC)CCC(C)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005538500	0	52	0.0	-84.07	388.86	8.26	-75.81
CC[NH+](CC)CCC(C)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300005538501	0	52	0.0	-74.16	388.29	7.13	-67.03
CC[NH+](CC)CCC(C)NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300005538502	0	53	0.0	-54.20	370.92	9.83	-44.37
CC[NH+](CC)CCC(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005538503	1	53	0.0	-71.06	389.33	6.62	-64.44
CC[NH+](CC)CCC(C)NC(=O)CN1CCCC(C(=O)[O-])C1	REAL300005538503	1	53	0.0	-71.06	389.33	6.62	-64.44
CC[NH+](CC)CCC(C)NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300005538504	0	52	0.0	-47.00	385.44	10.38	-36.62
CC[NH+](CC)CCC(C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005538505	0	52	0.0	-85.55	397.64	9.04	-76.51
CC[NH+](CC)CCC(C)NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300005538506	0	52	0.0	-98.23	408.18	10.69	-87.54
CC[NH+](CC)CCC(C)NC(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300005538507	0	48	0.0	-60.55	361.54	9.02	-51.53
CC[NH+](CC)CCC(C)NC(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300005538508	0	47	0.0	-75.69	355.51	7.36	-68.33
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300005538509	0	48	0.0	-74.34	365.51	9.26	-65.08
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300005538510	0	45	0.0	-74.00	357.97	8.85	-65.15
CC[NH+](CC)CCC(C)NC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300005538511	0	52	0.0	-77.58	386.45	9.20	-68.38
CC[NH+](CC)CCC(C)NC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1	REAL300005538512	0	48	0.0	-57.45	373.44	5.95	-51.50
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300005538513	0	51	0.0	-73.99	393.37	10.22	-63.77
CC[NH+](CC)CCC(C)NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300005538514	0	49	0.0	-82.23	379.74	9.75	-72.48
CC[NH+](CC)CCC(C)NC(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300005538515	0	45	0.0	-61.42	355.92	8.19	-53.23
CC[NH+](CC)CCC(C)NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005538516	0	45	0.0	-76.19	375.30	8.92	-67.27
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CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCC2)O1	REAL300005551654	0	46	0.0	-73.20	360.63	8.10	-65.10
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3CCC3)CC2)[NH+]=C1	REAL300005551656	1	49	0.0	-71.75	370.59	7.84	-63.91
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCC1	REAL300005551690	0	50	0.0	-66.91	373.53	9.63	-57.28
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCC1	REAL300005551690	1	50	0.0	-69.14	378.21	9.78	-59.36
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300005551705	0	51	0.0	-82.78	403.78	9.40	-73.38
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CCC1	REAL300005551717	0	47	0.0	-76.67	369.48	8.62	-68.05
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2CCC2)C(C(F)(F)F)C1	REAL300005551951	0	40	0.0	-68.54	310.56	6.56	-61.98
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2CCC2)C(C(F)(F)F)C1	REAL300005551951	1	40	0.0	-79.17	320.43	6.57	-72.60
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300005552227	0	46	0.0	-79.59	363.84	9.25	-70.34
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300005552230	0	47	0.0	-82.47	364.49	8.14	-74.33
O=C([O-])C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCC1	REAL300005552288	0	53	0.0	-69.11	395.79	10.78	-58.33
CC1C[N@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCC3)C=C2)CCO1	REAL300005552290	1	51	0.0	-82.90	385.99	8.56	-74.34
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCC3)C=C2)CCO1	REAL300005552290	1	51	0.0	-84.71	381.73	8.50	-76.21
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005553652	0	45	0.0	-55.93	363.60	8.63	-47.30
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OC(F)(F)F)C=C3C(=O)[O-])CN12	REAL300005553674	1	43	0.0	-50.91	357.49	8.34	-42.57
C[NH+](C)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005553723	1	34	0.0	-52.06	290.59	5.64	-46.42
CC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])N1CC[NH+](C)CC1	REAL300005553724	1	46	0.0	-60.44	364.86	5.52	-54.92
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005553750	1	41	0.0	-45.72	332.68	7.26	-38.46
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005553750	1	41	0.0	-49.93	322.54	7.04	-42.89
C[NH+]1CCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC1	REAL300005553788	0	41	0.0	-59.40	334.77	7.27	-52.13
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005553815	0	36	0.0	-59.40	320.75	9.15	-50.25
C[NH+](C)CC1(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CCCCC1	REAL300005553836	0	50	0.0	-43.38	374.59	9.16	-34.22
C[N@H+](CCC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])C1CCCCC1	REAL300005553839	0	50	0.0	-54.90	388.99	9.23	-45.67
C[N@@H+](CCC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])C1CCCCC1	REAL300005553839	1	50	0.0	-54.42	389.00	9.24	-45.18
C[N@@H+]1CCCC1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005553851	1	38	0.0	-47.68	317.10	6.62	-41.06
C[N@H+]1CCCC1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005553851	1	38	0.0	-46.62	311.45	6.23	-40.39
C[NH+]1CCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC1	REAL300005553890	0	41	0.0	-59.40	334.77	7.27	-52.13
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005553923	1	42	0.0	-54.10	361.56	8.55	-45.55
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300005553924	1	48	0.0	-61.72	388.85	7.23	-54.49
C[C@@H](C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])[NH+](C)C	REAL300005553928	0	37	0.0	-48.76	308.38	6.09	-42.67
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005553929	1	38	0.0	-48.08	309.95	6.15	-41.93
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005553929	1	38	0.0	-49.49	314.89	6.64	-42.85
C[C@H](C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])[NH+](C)C	REAL300005553932	0	37	0.0	-49.29	308.02	6.11	-43.18
CCC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])[NH+](CC)CC	REAL300005553985	0	46	0.0	-46.73	354.58	8.05	-38.68
CC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005553987	0	47	0.0	-48.55	384.16	9.64	-38.91
CC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005553987	1	47	0.0	-49.62	382.32	9.69	-39.93
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=N1	REAL300005554000	0	43	0.0	-64.59	363.38	7.59	-57.00
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554002	0	52	0.0	-58.24	408.08	9.52	-48.72
C[N@@H+]1CCOC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005554003	1	39	0.0	-58.31	328.11	6.03	-52.28
C[N@H+]1CCOC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005554003	1	39	0.0	-58.03	327.66	6.00	-52.03
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554011	1	42	0.0	-48.21	355.11	8.31	-39.90
C[NH+](C)CC1(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC1	REAL300005554022	0	41	0.0	-43.66	342.00	7.46	-36.20
C[NH+](C)CCCCC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554026	0	43	0.0	-60.66	354.80	7.72	-52.94
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005554046	1	44	0.0	-68.59	374.01	7.74	-60.85
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=C1	REAL300005554047	0	47	0.0	-68.21	391.25	9.98	-58.23
CCC[N@H+](C)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554055	0	40	0.0	-51.47	328.82	7.00	-44.47
CCC[N@@H+](C)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554055	1	40	0.0	-51.33	328.65	7.01	-44.32
C[N@H+](CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])C1CCC1	REAL300005554067	0	41	0.0	-48.15	336.83	7.64	-40.51
C[N@@H+](CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])C1CCC1	REAL300005554067	1	41	0.0	-49.23	335.55	7.56	-41.67
C[N@H+](CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])CC(C)(C)C	REAL300005554083	0	46	0.0	-49.51	358.10	8.04	-41.47
C[N@@H+](CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])CC(C)(C)C	REAL300005554083	1	46	0.0	-49.07	361.22	8.21	-40.86
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554085	0	47	0.0	-54.20	389.55	10.07	-44.13
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554085	1	47	0.0	-54.24	389.75	10.10	-44.14
CC[C@@H](C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])[NH+](C)C	REAL300005554087	0	40	0.0	-48.52	320.80	6.64	-41.88
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005554089	0	45	0.0	-56.60	350.50	5.66	-50.94
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005554089	1	45	0.0	-52.25	360.10	5.84	-46.41
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554100	0	49	0.0	-52.52	393.31	9.35	-43.17
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554100	1	49	0.0	-52.43	393.15	9.35	-43.08
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005554114	1	36	0.0	-62.08	319.88	9.07	-53.01
C[N@H+](CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])C1CCSC1	REAL300005554122	1	42	0.0	-54.67	350.29	7.84	-46.83
C[N@@H+](CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])C1CCSC1	REAL300005554122	1	42	0.0	-55.42	349.89	7.91	-47.51
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005554136	0	45	0.0	-48.02	347.15	8.18	-39.84
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1CCCC2CCC[N@H+]21	REAL300005554136	1	45	0.0	-45.18	354.29	8.42	-36.76
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=N1	REAL300005554137	0	44	0.0	-69.53	373.77	7.08	-62.45
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=N1	REAL300005554163	0	44	0.0	-67.36	374.27	7.10	-60.26
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554164	0	44	0.0	-56.42	370.16	7.09	-49.33
C[C@@H]1[C@H](C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC[N@@H+]1C	REAL300005554166	0	41	0.0	-52.92	327.28	6.85	-46.07
C[C@@H]1[C@H](C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC[N@H+]1C	REAL300005554166	1	41	0.0	-53.11	334.10	6.91	-46.20
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554167	1	45	0.0	-50.77	375.39	8.78	-41.99
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC[N@@H+]1C	REAL300005554170	0	44	0.0	-58.13	347.25	7.33	-50.80
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC[N@H+]1C	REAL300005554170	1	44	0.0	-58.50	352.26	7.63	-50.87
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=NN1	REAL300005554172	1	45	0.0	-67.32	376.39	6.72	-60.60
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=NN1	REAL300005554172	1	45	0.0	-68.55	375.82	6.64	-61.91
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])O1	REAL300005554176	1	42	0.0	-58.47	341.07	6.21	-52.26
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])O1	REAL300005554176	1	42	0.0	-60.28	342.45	6.27	-54.01
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C[NH+]1CCCC1	REAL300005554181	1	38	0.0	-50.14	314.55	6.66	-43.48
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554183	1	36	0.0	-48.09	320.05	7.27	-40.82
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554185	1	45	0.0	-51.06	360.72	6.41	-44.65
CC1CC[NH+](CC(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC1	REAL300005554204	1	44	0.0	-49.83	353.15	8.13	-41.70
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005554215	1	42	0.0	-56.10	345.90	6.69	-49.41
CC[N@H+]1CCOC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005554215	1	42	0.0	-52.98	338.22	6.46	-46.52
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554244	0	44	0.0	-53.45	357.82	8.12	-45.33
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554244	1	44	0.0	-56.68	351.76	7.64	-49.04
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005554252	0	45	0.0	-45.11	351.22	8.12	-36.99
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1CCC2CCCC[N@H+]21	REAL300005554252	1	45	0.0	-45.41	356.94	8.46	-36.95
CC[NH+](CC)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554268	0	40	0.0	-49.76	326.34	6.98	-42.78
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC1	REAL300005554270	0	47	0.0	-55.78	369.09	8.46	-47.32
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C12CC[NH+](CC1)C2	REAL300005554330	0	39	0.0	-57.17	322.10	6.19	-50.98
CCC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])[NH+](C)C	REAL300005554333	0	40	0.0	-49.92	319.07	6.74	-43.18
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C12CC[N@H+](C1)CCC2	REAL300005554340	0	42	0.0	-58.12	331.94	6.80	-51.32
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300005554340	1	42	0.0	-57.12	332.36	6.86	-50.26
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554368	0	44	0.0	-47.15	347.08	7.47	-39.68
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300005554369	0	44	0.0	-65.11	368.73	9.14	-55.97
C#CC[NH+]1CCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC1	REAL300005554406	0	43	0.0	-59.62	359.44	8.42	-51.20
CC[NH+]1CCN(CCC(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC1	REAL300005554408	0	49	0.0	-57.87	386.87	6.10	-51.77
CCN1CC[NH+](CCC(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC1	REAL300005554408	1	49	0.0	-55.39	388.05	6.23	-49.16
CC(C)[N@H+](C)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554409	0	40	0.0	-48.99	324.01	6.80	-42.19
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554409	1	40	0.0	-48.83	323.84	6.77	-42.06
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554413	1	45	0.0	-49.84	376.03	8.80	-41.04
CC[N@H+](CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])C1CC1	REAL300005554418	0	41	0.0	-46.78	339.18	7.67	-39.11
CC[N@@H+](CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])C1CC1	REAL300005554418	1	41	0.0	-47.17	336.51	7.42	-39.75
CC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])[NH+]1CCCCCC1	REAL300005554433	0	47	0.0	-46.83	360.74	8.13	-38.70
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554436	1	38	0.0	-49.55	315.79	6.62	-42.93
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554436	1	38	0.0	-46.26	311.52	6.21	-40.05
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554482	0	40	0.0	-50.33	328.39	5.29	-45.04
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCCC[NH+]1CCCC1	REAL300005554483	0	47	0.0	-59.01	380.77	8.89	-50.12
C[N@H+](CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])CC1=CC=CC=C1	REAL300005554485	1	44	0.0	-52.81	367.27	9.25	-43.56
C[N@@H+](CC(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-])CC1=CC=CC=C1	REAL300005554485	1	44	0.0	-53.76	366.14	9.17	-44.59
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=NO1	REAL300005554518	1	40	0.0	-70.35	349.71	6.69	-63.66
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554529	0	44	0.0	-48.13	348.30	7.68	-40.45
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300005554529	1	44	0.0	-46.67	348.93	7.67	-39.00
C[NH+]1CCC(OCC(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC1	REAL300005554543	0	45	0.0	-62.85	369.39	7.57	-55.28
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005554644	0	47	0.0	-52.04	367.72	8.83	-43.21
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005554644	1	47	0.0	-55.10	373.45	8.59	-46.51
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C[NH+]1CCC(CO)CC1	REAL300005554660	1	45	0.0	-50.92	365.15	4.82	-46.10
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005554785	0	47	0.0	-51.01	363.52	8.63	-42.38
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005554785	1	47	0.0	-51.20	363.06	8.63	-42.57
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])N1	REAL300005554802	1	42	0.0	-50.24	360.82	6.92	-43.32
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300005555078	0	47	0.0	-67.26	391.23	9.96	-57.30
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005555169	0	41	0.0	-59.68	341.24	7.40	-52.28
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])CC1	REAL300005555173	0	47	0.0	-58.76	361.99	8.25	-50.51
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(OC(F)(F)F)C=C3C(=O)[O-])=CN12	REAL300005555176	0	39	0.0	-54.47	342.17	8.92	-45.55
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005555215	0	50	0.0	-52.76	384.61	9.48	-43.28
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005555215	1	50	0.0	-52.92	385.99	9.51	-43.41
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005555216	0	44	0.0	-51.94	346.22	8.09	-43.85
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005555216	1	44	0.0	-52.79	345.84	8.06	-44.73
C[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005555221	0	41	0.0	-52.99	328.56	7.43	-45.56
C[N@H+]1CCCC(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C1	REAL300005555221	1	41	0.0	-55.82	335.90	7.29	-48.53
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])O1	REAL300005555223	1	41	0.0	-60.07	355.18	7.46	-52.61
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005555231	1	43	0.0	-48.77	346.48	8.17	-40.60
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300005555231	1	43	0.0	-46.72	348.11	8.79	-37.93
CC(C)OC1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(C(=O)[O-])=C1	REAL300005556098	0	57	0.0	-67.35	435.16	11.91	-55.44
CC(C)OC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C(C(=O)[O-])=C1	REAL300005557242	0	51	0.0	-61.88	384.83	9.63	-52.25
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OC(C)C)C=C3C(=O)[O-])CN21	REAL300005557266	1	49	0.0	-57.07	381.83	9.45	-47.62
CC(C)OC1=CC=C(NC(=O)C(C)N2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300005557332	1	52	0.0	-67.41	386.25	6.64	-60.77
CC(C)OC1=CC=C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C(=O)[O-])=C1	REAL300005557362	1	47	0.0	-55.37	345.84	8.10	-47.27
CC(C)OC1=CC=C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(C(=O)[O-])=C1	REAL300005557362	1	47	0.0	-50.60	357.18	8.35	-42.25
CC(C)OC1=CC=C(NC(=O)C2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300005557429	0	47	0.0	-65.78	358.66	8.33	-57.45
CC(C)OC1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(C(=O)[O-])=C1	REAL300005557456	0	42	0.0	-63.85	345.06	10.23	-53.62
CC(C)OC1=CC=C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(C(=O)[O-])=C1	REAL300005557485	0	56	0.0	-51.56	398.57	10.14	-41.42
CC(C)OC1=CC=C(NC(=O)CC[N@H+](C)C2CCCCC2)C(C(=O)[O-])=C1	REAL300005557489	0	56	0.0	-60.85	412.32	10.30	-50.55
CC(C)OC1=CC=C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(C(=O)[O-])=C1	REAL300005557489	1	56	0.0	-61.29	412.31	10.31	-50.98
CC(C)OC1=CC=C(NC(=O)C2CCC[N@@H+]2C)C(C(=O)[O-])=C1	REAL300005557502	1	44	0.0	-55.17	341.34	7.80	-47.37
CC(C)OC1=CC=C(NC(=O)C2CCC[N@H+]2C)C(C(=O)[O-])=C1	REAL300005557502	1	44	0.0	-54.18	338.61	7.61	-46.57
CC(C)OC1=CC=C(NC(=O)C2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300005557549	0	47	0.0	-65.78	358.66	8.33	-57.45
CC(C)OC1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(C(=O)[O-])=C1	REAL300005557552	0	50	0.0	-69.50	403.26	9.34	-60.16
CC(C)OC1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(C(=O)[O-])=C1	REAL300005557563	0	58	0.0	-65.60	426.89	8.99	-56.61
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005557595	1	48	0.0	-57.53	386.77	9.68	-47.85
CC(C)OC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C(C(=O)[O-])=C1	REAL300005557596	1	54	0.0	-65.30	414.07	8.38	-56.92
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1)C(C)C	REAL300005557598	0	59	0.0	-68.16	439.82	11.81	-56.35
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1)C(C)C	REAL300005557598	1	59	0.0	-69.04	432.54	11.41	-57.63
CC(C)OC1=CC=C(NC(=O)[C@H]2CCC[N@@H+]2C)C(C(=O)[O-])=C1	REAL300005557601	1	44	0.0	-55.02	339.19	7.76	-47.26
CC(C)OC1=CC=C(NC(=O)[C@H]2CCC[N@H+]2C)C(C(=O)[O-])=C1	REAL300005557601	1	44	0.0	-53.05	333.71	7.23	-45.82
CC(C)OC1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300005557637	0	54	0.0	-61.91	418.60	11.15	-50.76
CC(C)OC1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300005557637	1	54	0.0	-61.96	418.88	11.19	-50.77
CC(C)OC1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(C(=O)[O-])=C1	REAL300005557638	0	55	0.0	-69.42	414.13	10.36	-59.06
CC(C)OC1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(C(=O)[O-])=C1	REAL300005557662	0	58	0.0	-61.35	411.26	8.58	-52.77
CCC(C(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-])[NH+](CC)CC	REAL300005557666	0	52	0.0	-50.89	379.34	9.10	-41.79
CC(C)OC1=CC=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300005557668	0	53	0.0	-53.06	409.59	10.74	-42.32
CC(C)OC1=CC=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300005557668	1	53	0.0	-51.00	407.58	10.71	-40.29
CC(C)OC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(C(=O)[O-])=C1	REAL300005557688	0	49	0.0	-70.45	389.55	8.40	-62.05
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005557692	0	58	0.0	-63.11	436.42	10.97	-52.14
CC(C)OC1=CC=C(NC(=O)C2C[N@H+](C)CCO2)C(C(=O)[O-])=C1	REAL300005557694	1	45	0.0	-63.22	352.70	7.13	-56.09
CC(C)OC1=CC=C(NC(=O)C2C[N@@H+](C)CCO2)C(C(=O)[O-])=C1	REAL300005557694	1	45	0.0	-63.25	352.80	7.17	-56.08
CC(C)OC1=CC=C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(C(=O)[O-])=C1	REAL300005557701	1	48	0.0	-53.81	379.55	9.43	-44.38
CC(C)OC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(C(=O)[O-])=C1	REAL300005557716	0	54	0.0	-71.58	416.86	11.34	-60.24
CC(C)OC1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(C(=O)[O-])=C1	REAL300005557721	0	57	0.0	-70.70	435.44	12.14	-58.56
CC(C)OC1=CC=C(NC(=O)C2(C[NH+](C)C)CC2)C(C(=O)[O-])=C1	REAL300005557724	0	47	0.0	-61.53	364.97	8.46	-53.07
CC(C)OC1=CC=C(NC(=O)CCCC[NH+](C)C)C(C(=O)[O-])=C1	REAL300005557732	0	49	0.0	-64.03	381.16	8.92	-55.11
CC1=C(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005557753	1	48	0.0	-76.51	389.46	8.63	-67.88
CC(C)OC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(C(=O)[O-])=C1	REAL300005557756	0	57	0.0	-71.89	434.74	12.10	-59.79
CC(C)OC1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(C(=O)[O-])=C1	REAL300005557767	1	50	0.0	-75.22	398.13	8.86	-66.36
CC(C)OC1=CC=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300005557768	0	53	0.0	-75.48	414.55	11.04	-64.44
CC(C)OC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])=C1	REAL300005557774	1	55	0.0	-60.38	422.43	10.56	-49.82
CC(C)OC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])=C1	REAL300005557774	1	55	0.0	-61.97	429.58	10.73	-51.24
CCC[N@H+](C)CC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005557781	0	46	0.0	-52.64	355.02	8.21	-44.43
CCC[N@@H+](C)CC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005557781	1	46	0.0	-55.47	354.84	8.19	-47.28
CC(C)OC1=CC=C(NC(=O)C[N@H+](C)C2CCC2)C(C(=O)[O-])=C1	REAL300005557795	0	47	0.0	-54.41	359.90	8.67	-45.74
CC(C)OC1=CC=C(NC(=O)C[N@@H+](C)C2CCC2)C(C(=O)[O-])=C1	REAL300005557795	1	47	0.0	-54.38	360.12	8.69	-45.69
CC(C)OC1=CC=C(NC(=O)C[N@H+](C)CC(C)(C)C)C(C(=O)[O-])=C1	REAL300005557821	0	52	0.0	-51.91	385.00	9.31	-42.60
CC(C)OC1=CC=C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(C(=O)[O-])=C1	REAL300005557821	1	52	0.0	-55.54	381.09	9.12	-46.42
CC(C)OC1=CC=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300005557823	0	53	0.0	-57.23	414.01	11.17	-46.06
CC(C)OC1=CC=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300005557823	1	53	0.0	-60.49	413.04	11.14	-49.35
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005557824	0	57	0.0	-62.74	442.83	7.36	-55.38
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005557824	1	57	0.0	-62.52	442.08	7.32	-55.20
CC[C@@H](C(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-])[NH+](C)C	REAL300005557827	0	46	0.0	-50.50	344.91	7.73	-42.77
CC(C)OC1=CC=C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(C(=O)[O-])=C1	REAL300005557829	0	51	0.0	-58.32	383.63	6.95	-51.37
CC(C)OC1=CC=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(C(=O)[O-])=C1	REAL300005557829	1	51	0.0	-54.91	375.46	6.79	-48.12
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005557841	0	55	0.0	-57.68	418.72	10.50	-47.18
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005557841	1	55	0.0	-56.45	419.34	10.53	-45.92
CC(C)OC1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(C(=O)[O-])=C1	REAL300005557855	1	42	0.0	-68.43	344.23	10.18	-58.25
CC(C)OC1=CC=C(NC(=O)C[N@H+](C)C2CCSC2)C(C(=O)[O-])=C1	REAL300005557865	1	48	0.0	-58.75	374.88	9.03	-49.72
CC(C)OC1=CC=C(NC(=O)C[N@@H+](C)C2CCSC2)C(C(=O)[O-])=C1	REAL300005557865	1	48	0.0	-58.47	374.23	9.00	-49.47
CC(C)OC1=CC=C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(C(=O)[O-])=C1	REAL300005557880	0	58	0.0	-59.77	431.15	7.96	-51.81
CC(C)OC1=CC=C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(C(=O)[O-])=C1	REAL300005557880	1	58	0.0	-59.90	427.55	7.76	-52.14
CC(C)OC1=CC=C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(C(=O)[O-])=C1	REAL300005557881	0	61	0.0	-65.47	450.75	8.68	-56.79
CC(C)OC1=CC=C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(C(=O)[O-])=C1	REAL300005557881	1	61	0.0	-63.79	448.09	8.53	-55.26
CC(C)OC1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C(C(=O)[O-])=C1	REAL300005557882	0	51	0.0	-53.29	371.02	9.27	-44.02
CC(C)OC1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C(C(=O)[O-])=C1	REAL300005557882	1	51	0.0	-53.96	369.98	9.20	-44.76
CC(C)OC1=CC=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(C(=O)[O-])=C1	REAL300005557884	0	50	0.0	-75.89	399.92	8.27	-67.62
CC(C)OC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(C(=O)[O-])=C1	REAL300005557889	0	56	0.0	-66.96	431.22	10.15	-56.81
CC(C)OC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(C(=O)[O-])=C1	REAL300005557889	1	56	0.0	-64.78	430.54	10.08	-54.70
CC(C)OC1=CC=C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])=C1	REAL300005557894	1	54	0.0	-51.68	412.98	11.14	-40.54
CC(C)OC1=CC=C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])=C1	REAL300005557894	1	54	0.0	-54.68	409.51	11.25	-43.43
CC(C)OC1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300005557909	0	57	0.0	-67.30	437.89	11.90	-55.40
CC(C)OC1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300005557909	1	57	0.0	-66.39	440.32	11.98	-54.41
CC(C)OC1=CC=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300005557922	0	50	0.0	-70.69	400.47	8.30	-62.39
CC(C)OC1=CC=C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(C(=O)[O-])=C1	REAL300005557923	0	50	0.0	-61.83	394.15	8.20	-53.63
CC(C)OC1=CC=C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C(=O)[O-])=C1	REAL300005557925	0	47	0.0	-58.21	352.50	7.84	-50.37
CC(C)OC1=CC=C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C(=O)[O-])=C1	REAL300005557925	1	47	0.0	-59.72	356.75	7.97	-51.75
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005557926	1	51	0.0	-56.99	400.98	9.95	-47.04
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])CC[N@@H+]1C	REAL300005557929	0	50	0.0	-64.63	370.79	8.44	-56.19
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])CC[N@H+]1C	REAL300005557929	1	50	0.0	-60.62	376.88	8.79	-51.83
CC(C)OC1=CC=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C(C(=O)[O-])=C1	REAL300005557931	1	51	0.0	-72.49	402.00	7.84	-64.65
CC(C)OC1=CC=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C(C(=O)[O-])=C1	REAL300005557931	1	51	0.0	-73.81	399.51	7.77	-66.04
CC(C)OC1=CC=C(NC(=O)C2C[N@H+](C)CC(C)O2)C(C(=O)[O-])=C1	REAL300005557936	1	48	0.0	-63.94	366.59	7.39	-56.55
CC(C)OC1=CC=C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(C(=O)[O-])=C1	REAL300005557936	1	48	0.0	-63.01	367.27	7.87	-55.14
CC(C)OC1=CC=C(NC(=O)C[NH+]2CCCC2)C(C(=O)[O-])=C1	REAL300005557943	1	44	0.0	-55.35	338.69	7.77	-47.58
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005557945	1	42	0.0	-54.44	343.33	8.32	-46.12
CC(C)OC1=CC=C(NC(=O)C(C)C[NH+]2CCOCC2)C(C(=O)[O-])=C1	REAL300005557947	0	51	0.0	-62.22	385.33	7.41	-54.81
CC(C)OC1=CC=C(NC(=O)C[NH+]2CCC(C)CC2)C(C(=O)[O-])=C1	REAL300005557966	1	50	0.0	-55.91	376.50	9.19	-46.72
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C1	REAL300005557977	1	48	0.0	-61.06	369.53	7.73	-53.33
CC[N@H+]1CCOC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C1	REAL300005557977	1	48	0.0	-57.93	362.29	7.50	-50.43
CC(C)OC1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(C(=O)[O-])=C1	REAL300005558006	0	57	0.0	-60.26	420.32	10.65	-49.61
CC(C)OC1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(C(=O)[O-])=C1	REAL300005558006	1	57	0.0	-60.17	419.84	10.60	-49.57
CC(C)OC1=CC=C(NC(=O)CCC2CCC[N@@H+]2C)C(C(=O)[O-])=C1	REAL300005558012	0	50	0.0	-64.33	375.30	8.73	-55.60
CC(C)OC1=CC=C(NC(=O)CCC2CCC[N@H+]2C)C(C(=O)[O-])=C1	REAL300005558012	1	50	0.0	-59.39	383.19	9.28	-50.11
CC(C)OC1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C(C(=O)[O-])=C1	REAL300005558023	0	51	0.0	-49.91	376.12	9.26	-40.65
CC(C)OC1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C(C(=O)[O-])=C1	REAL300005558023	1	51	0.0	-48.76	374.36	9.18	-39.58
CC[NH+](CC)CC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300005558043	0	46	0.0	-55.39	349.33	8.02	-47.37
CC(C)OC1=CC=C(NC(=O)C2CC[NH+](C(C)C)CC2)C(C(=O)[O-])=C1	REAL300005558045	0	53	0.0	-59.46	394.08	9.55	-49.91
CC(C)OC1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C(C(=O)[O-])=C1	REAL300005558112	0	45	0.0	-63.00	346.60	7.28	-55.72
CCC(C(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-])[NH+](C)C	REAL300005558115	0	46	0.0	-53.84	343.21	7.82	-46.02
CC(C)OC1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C(C(=O)[O-])=C1	REAL300005558122	0	48	0.0	-63.31	356.45	7.97	-55.34
CC(C)OC1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C(C(=O)[O-])=C1	REAL300005558122	1	48	0.0	-63.33	355.26	7.91	-55.42
CC(C)OC1=CC=C(NC(=O)C[NH+]2C(C)CCC2C)C(C(=O)[O-])=C1	REAL300005558158	0	50	0.0	-53.14	370.72	8.70	-44.44
CC(C)OC1=CC=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(C(=O)[O-])=C1	REAL300005558159	0	50	0.0	-72.67	393.19	10.24	-62.43
CC(C)OC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300005558160	0	57	0.0	-58.34	431.23	12.13	-46.21
CC(C)OC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300005558160	1	57	0.0	-60.44	430.14	12.14	-48.30
C#CC[NH+]1CCC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])CC1	REAL300005558211	0	49	0.0	-66.20	383.33	9.49	-56.71
CC[NH+]1CCN(CCC(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])CC1	REAL300005558213	0	55	0.0	-64.07	412.28	7.24	-56.83
CCN1CC[NH+](CCC(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])CC1	REAL300005558213	1	55	0.0	-57.50	414.40	7.43	-50.07
CC(C)OC1=CC=C(NC(=O)C[N@H+](C)C(C)C)C(C(=O)[O-])=C1	REAL300005558214	0	46	0.0	-53.09	350.03	7.98	-45.11
CC(C)OC1=CC=C(NC(=O)C[N@@H+](C)C(C)C)C(C(=O)[O-])=C1	REAL300005558214	1	46	0.0	-50.26	350.22	7.98	-42.28
CC(C)OC1=CC=C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(C(=O)[O-])=C1	REAL300005558219	1	51	0.0	-56.41	400.44	9.90	-46.51
CC[N@H+](CC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-])C1CC1	REAL300005558226	0	47	0.0	-52.98	363.62	8.77	-44.21
CC[N@@H+](CC(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-])C1CC1	REAL300005558226	1	47	0.0	-53.37	360.77	8.70	-44.67
CC(C)OC1=CC=C(NC(=O)C(C)[NH+]2CCCCCC2)C(C(=O)[O-])=C1	REAL300005558251	0	53	0.0	-52.79	382.92	9.14	-43.65
CC(C)OC1=CC=C(NC(=O)[C@@H]2CCC[N@@H+]2C)C(C(=O)[O-])=C1	REAL300005558255	1	44	0.0	-51.33	334.68	7.27	-44.06
CC(C)OC1=CC=C(NC(=O)[C@@H]2CCC[N@H+]2C)C(C(=O)[O-])=C1	REAL300005558255	1	44	0.0	-54.15	341.32	7.81	-46.34
CC(C)OC1=CC=C(NC(=O)C[NH2+]C(C)(C)C)C(C(=O)[O-])=C1	REAL300005558322	0	46	0.0	-54.68	353.69	6.47	-48.21
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])O1	REAL300005558324	0	53	0.0	-65.79	409.32	9.58	-56.21
CC(C)OC1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C(C(=O)[O-])=C1	REAL300005558325	0	53	0.0	-65.30	406.18	10.04	-55.26
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(OC(C)C)C=C3C(=O)[O-])CC2)[NH+]=C1	REAL300005558327	1	56	0.0	-61.30	428.13	9.76	-51.54
CC(C)OC1=CC=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300005558328	1	50	0.0	-57.48	392.32	10.37	-47.11
CC(C)OC1=CC=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300005558328	1	50	0.0	-54.66	392.46	10.38	-44.28
CC(C)OC1=CC=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(C(=O)[O-])=C1	REAL300005558375	1	46	0.0	-74.45	374.90	7.83	-66.62
CC(C)OC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])=C1	REAL300005558379	0	57	0.0	-65.51	434.55	11.72	-53.79
CC(C)OC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])=C1	REAL300005558379	1	57	0.0	-64.88	434.45	11.85	-53.03
CC(C)OC1=CC=C(NC(=O)C2CCC[N@@H+]2C(C)C)C(C(=O)[O-])=C1	REAL300005558391	0	50	0.0	-52.23	373.08	8.78	-43.45
CC(C)OC1=CC=C(NC(=O)C2CCC[N@H+]2C(C)C)C(C(=O)[O-])=C1	REAL300005558391	1	50	0.0	-53.68	372.64	8.78	-44.90
CC(C)OC1=CC=C(NC(=O)COC2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300005558408	0	51	0.0	-66.00	395.75	8.78	-57.22
CC(C)OC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(C(=O)[O-])=C1	REAL300005558412	0	54	0.0	-65.47	418.97	10.29	-55.18
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C1	REAL300005558557	0	53	0.0	-59.02	391.53	9.90	-49.12
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C1	REAL300005558557	1	53	0.0	-61.04	398.88	9.74	-51.30
CC(C)OC1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C(C(=O)[O-])=C1	REAL300005558582	1	51	0.0	-55.82	388.35	5.90	-49.92
CC(C)OC1=CC=C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C(C(=O)[O-])=C1	REAL300005558757	0	53	0.0	-57.35	386.73	9.71	-47.64
CC(C)OC1=CC=C(NC(=O)C2CCC[N@H+](C(C)C)C2)C(C(=O)[O-])=C1	REAL300005558757	1	53	0.0	-57.34	387.21	9.75	-47.59
CC(C)OC1=CC=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(C(=O)[O-])=C1	REAL300005558758	0	47	0.0	-66.72	371.70	8.21	-58.51
CC(C)OC1=CC=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(C(=O)[O-])=C1	REAL300005558758	1	47	0.0	-69.34	365.90	8.15	-61.19
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])N1	REAL300005558782	1	48	0.0	-56.76	385.26	8.03	-48.73
CC(C)OC1=CC=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(C(=O)[O-])=C1	REAL300005559168	0	53	0.0	-74.30	415.36	11.08	-63.22
CC(C)OC1=CC=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300005559175	0	54	0.0	-71.80	423.54	10.04	-61.76
CC(C)OC1=CC=C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(C(=O)[O-])=C1	REAL300005559289	0	47	0.0	-65.63	363.50	8.41	-57.22
CC(C)OC1=CC=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(C(=O)[O-])=C1	REAL300005559293	0	53	0.0	-63.81	388.66	9.45	-54.36
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(OC(C)C)C=C3C(=O)[O-])=CN21	REAL300005559297	0	45	0.0	-60.76	367.29	10.07	-50.69
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C1	REAL300005559346	0	56	0.0	-59.16	406.12	10.61	-48.55
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C1	REAL300005559346	1	56	0.0	-60.25	414.20	10.35	-49.90
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C1	REAL300005559347	0	50	0.0	-58.18	370.07	9.21	-48.97
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C1	REAL300005559347	1	50	0.0	-59.03	370.21	9.18	-49.85
CC(C)OC1=CC=C(NC(=O)C2CCC[N@H+](C)C2)C(C(=O)[O-])=C1	REAL300005559352	0	47	0.0	-61.97	358.98	8.35	-53.62
CC(C)OC1=CC=C(NC(=O)C2CCC[N@@H+](C)C2)C(C(=O)[O-])=C1	REAL300005559352	1	47	0.0	-55.88	353.23	8.56	-47.32
CC(C)OC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(C(=O)[O-])=C1	REAL300005559354	1	47	0.0	-66.80	378.42	8.52	-58.28
CC(C)OC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(C(=O)[O-])=C1	REAL300005559362	1	49	0.0	-50.91	368.15	9.22	-41.69
CC(C)OC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(C(=O)[O-])=C1	REAL300005559362	1	49	0.0	-52.14	371.27	9.85	-42.29
CC1=NC2=C(F)C=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2S1	REAL300005559442	1	42	0.0	-57.80	350.01	7.55	-50.25
CC1=NC2=C(F)C=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2S1	REAL300005559442	1	42	0.0	-57.75	344.56	7.57	-50.18
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC23CCOCC3)C1	REAL300005559554	0	51	0.0	-44.78	341.85	7.45	-37.33
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC23CCOCC3)C1	REAL300005559554	1	51	0.0	-48.25	349.50	7.93	-40.32
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCCC2(CCOC2)O1	REAL300005559695	0	52	0.0	-45.26	374.79	4.95	-40.31
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CCCC2(CCOC2)O1	REAL300005559695	1	52	0.0	-46.37	376.12	5.47	-40.90
CCC1=CC=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300005559817	0	50	0.0	-47.45	376.09	11.07	-36.38
CCC1=CC=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300005559817	1	50	0.0	-48.49	375.98	11.09	-37.40
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3(CCC3)CC2)C1	REAL300005559904	0	48	0.0	-47.34	339.17	8.44	-38.90
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3(CCC3)CC2)C1	REAL300005559904	1	48	0.0	-46.43	337.92	8.41	-38.02
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3)CCCCO2)C1	REAL300005560017	0	54	0.0	-46.71	395.41	8.98	-37.73
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3)CCCCO2)C1	REAL300005560017	1	54	0.0	-44.98	389.10	8.92	-36.06
COC1=CC=C2CC(C)N(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300005560136	0	51	0.0	-48.73	377.17	9.55	-39.18
COC1=CC=C2CC(C)N(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300005560136	1	51	0.0	-45.95	369.81	9.11	-36.84
CC1(C)C(C(F)(F)F)OCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005560243	0	47	0.0	-47.32	340.10	6.83	-40.49
CC1(C)C(C(F)(F)F)OCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005560243	1	47	0.0	-51.63	347.54	7.26	-44.37
C[NH+](C)CC(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300005560377	0	36	0.0	-51.79	322.01	8.12	-43.67
C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1)[NH+](C)C	REAL300005560400	0	39	0.0	-48.24	339.50	8.66	-39.58
C[C@H](C(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1)[NH+](C)C	REAL300005560402	0	39	0.0	-61.63	333.40	7.82	-53.81
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C1	REAL300005560681	0	44	0.0	-51.58	363.81	10.61	-40.97
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C1	REAL300005560681	1	44	0.0	-50.45	363.95	10.59	-39.86
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=CC=C1N(C)C	REAL300005560806	0	51	0.0	-47.43	386.84	8.35	-39.08
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=CC=C1N(C)C	REAL300005560806	1	51	0.0	-46.90	387.13	8.33	-38.57
CC1=CSC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005560900	0	43	0.0	-46.89	340.50	9.29	-37.60
CC1=CSC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005560900	1	43	0.0	-46.79	346.66	9.27	-37.52
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN3C(=NC4=C3CCCC4)C2)C1	REAL300005561010	0	51	0.0	-50.15	369.58	9.33	-40.82
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN3C(=NC4=C3CCCC4)C2)C1	REAL300005561010	1	51	0.0	-48.55	370.75	9.76	-38.79
COC1=C(F)C=CC=C1N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005561122	1	44	0.0	-48.76	341.67	8.04	-40.72
COC1=C(F)C=CC=C1N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005561122	1	44	0.0	-49.75	342.11	8.53	-41.22
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)(C)C(C(F)(F)F)O1	REAL300005561224	0	50	0.0	-47.08	361.27	7.57	-39.51
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)(C)C(C(F)(F)F)O1	REAL300005561224	1	50	0.0	-51.34	364.01	8.15	-43.19
CCC[C@H](CC(=O)[O-])NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005562528	0	52	0.0	-79.18	395.81	10.34	-68.84
CCC[C@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005563289	0	49	0.0	-52.77	366.65	9.54	-43.23
CCC[C@H](CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005563289	1	49	0.0	-65.88	378.21	9.74	-56.14
CCC[C@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300005564005	1	49	0.0	-64.82	388.66	9.71	-55.11
CCC[C@H](CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300005564005	1	49	0.0	-52.15	394.71	10.88	-41.27
CCC[C@H](CC(=O)[O-])NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005564079	0	52	0.0	-54.26	389.14	10.06	-44.20
CCC[C@H](CC(=O)[O-])NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300005564140	1	51	0.0	-74.83	402.35	8.34	-66.49
CCC[C@H](CC(=O)[O-])NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005564196	0	55	0.0	-77.13	429.20	10.18	-66.95
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300005564209	0	55	0.0	-73.57	429.10	12.79	-60.78
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300005564209	1	55	0.0	-74.55	429.04	12.78	-61.77
CCC[C@H](CC(=O)[O-])NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005564210	0	55	0.0	-67.43	408.84	10.81	-56.62
CCC[C@H](CC(=O)[O-])NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005564248	0	52	0.0	-65.68	410.53	10.66	-55.02
CCC[C@H](CC(=O)[O-])NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005564248	1	52	0.0	-52.02	412.15	10.91	-41.11
CCC[C@H](CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005564303	1	52	0.0	-57.11	399.73	10.67	-46.44
CCC[C@H](CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005564303	1	52	0.0	-45.52	398.99	10.59	-34.93
CCC[C@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005564304	1	49	0.0	-65.62	378.34	9.26	-56.36
CCC[C@H](CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005564304	1	49	0.0	-52.91	384.38	10.43	-42.48
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005564350	0	45	0.0	-77.23	365.52	8.05	-69.18
CCC[C@H](CC(=O)[O-])NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300005564355	0	55	0.0	-79.26	432.11	9.97	-69.29
CCC[C@H](CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005564379	0	52	0.0	-63.07	367.83	9.09	-53.98
CCC[C@H](CC(=O)[O-])NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005564379	1	52	0.0	-50.08	359.48	9.33	-40.75
CCC[C@H](CC(=O)[O-])NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005564380	0	53	0.0	-66.87	374.66	7.84	-59.03
CCC[C@H](CC(=O)[O-])NC(=O)CCCC[NH+]1CCOCC1	REAL300005564403	1	49	0.0	-69.95	373.40	7.02	-62.93
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1	REAL300005564404	0	54	0.0	-75.64	393.26	10.27	-65.37
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1	REAL300005564404	1	54	0.0	-75.00	400.55	10.68	-64.32
CCC[C@H](CC(=O)[O-])NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005564425	0	49	0.0	-61.89	379.47	9.86	-52.03
CCC[C@H](CC(=O)[O-])NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005564425	1	49	0.0	-60.30	379.20	10.19	-50.11
CCC[C@H](CC(=O)[O-])NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005564426	0	50	0.0	-81.67	378.49	8.99	-72.68
CCC[C@H](CC(=O)[O-])NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300005564447	1	54	0.0	-66.44	408.24	8.73	-57.71
CCC[C@H](CC(=O)[O-])NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005564448	0	53	0.0	-57.83	370.11	7.16	-50.67
CCC[C@H](CC(=O)[O-])NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300005564451	0	48	0.0	-68.23	369.88	9.11	-59.12
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C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300005584421	0	62	0.0	-79.74	466.68	12.36	-67.38
CC1(C(=O)NC(CC(=O)[O-])CC2CCCC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005584434	0	62	0.0	-43.08	436.36	13.11	-29.97
O=C([O-])CC(CC1CCCC1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005584491	0	44	0.0	-63.85	346.40	10.71	-53.14
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])CC2CCCC2)CCCCC1	REAL300005584523	0	58	0.0	-47.51	371.83	11.20	-36.31
C[N@H+](CCC(=O)NC(CC(=O)[O-])CC1CCCC1)C1CCCCC1	REAL300005584528	0	58	0.0	-59.09	408.40	11.63	-47.46
C[N@@H+](CCC(=O)NC(CC(=O)[O-])CC1CCCC1)C1CCCCC1	REAL300005584528	1	58	0.0	-59.75	413.70	10.78	-48.97
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005584549	1	59	0.0	-69.27	419.51	12.22	-57.05
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005584549	1	59	0.0	-56.38	429.49	12.82	-43.56
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005584550	1	56	0.0	-62.07	421.37	12.82	-49.25
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005584550	1	56	0.0	-50.23	397.61	12.76	-37.47
O=C([O-])CC(CC1CCCC1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005584604	0	52	0.0	-83.65	401.18	10.22	-73.43
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005584629	0	59	0.0	-49.54	408.97	11.64	-37.90
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005584629	1	59	0.0	-64.95	406.97	11.55	-53.40
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005584630	0	60	0.0	-47.49	417.67	9.42	-38.07
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005584661	1	50	0.0	-70.96	383.66	10.50	-60.46
O=C([O-])CC(CC1CCCC1)NC(=O)CCCC[NH+]1CCOCC1	REAL300005584662	1	56	0.0	-68.83	408.25	9.63	-59.20
CC[N@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1)C(C)C	REAL300005584664	0	61	0.0	-76.04	435.93	13.15	-62.89
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1)C(C)C	REAL300005584664	1	61	0.0	-75.78	427.44	12.75	-63.03
O=C([O-])CC(CC1CCCC1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005584692	0	56	0.0	-73.43	420.62	11.33	-62.10
O=C([O-])CC(CC1CCCC1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005584692	1	56	0.0	-73.18	420.76	11.34	-61.84
O=C([O-])CC(CC1CCCC1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005584693	0	57	0.0	-71.14	419.18	11.10	-60.04
C[NH+]1CCN(C(C(=O)NC(CC(=O)[O-])CC2CCCC2)C2=CC=CC=C2)CC1	REAL300005584721	1	61	0.0	-67.31	444.70	10.77	-56.54
O=C([O-])CC(CC1CCCC1)NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005584722	0	60	0.0	-58.50	412.36	9.06	-49.44
CCC(C(=O)NC(CC(=O)[O-])CC1CCCC1)[NH+](CC)CC	REAL300005584726	0	54	0.0	-50.06	382.48	9.68	-40.38
CC(C(=O)NC(CC(=O)[O-])CC1CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300005584728	0	55	0.0	-47.73	409.72	11.18	-36.55
CC(C(=O)NC(CC(=O)[O-])CC1CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300005584728	1	55	0.0	-54.88	398.73	11.64	-43.24
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005584738	0	62	0.0	-64.43	460.10	13.25	-51.18
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005584738	1	62	0.0	-67.46	453.04	14.14	-53.32
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)C=N1	REAL300005584764	0	51	0.0	-80.68	386.59	9.61	-71.07
CCC[NH+](CCC)CCCC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005584774	0	60	0.0	-63.56	438.96	11.47	-52.09
O=C([O-])CC(CC1CCCC1)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005584775	1	60	0.0	-55.08	431.14	9.46	-45.62
CC[N@H+](C)C(C(=O)NC(CC(=O)[O-])CC1CCCC1)C1=CC=CC=C1	REAL300005584776	0	55	0.0	-56.89	393.17	11.33	-45.56
CC[N@@H+](C)C(C(=O)NC(CC(=O)[O-])CC1CCCC1)C1=CC=CC=C1	REAL300005584776	1	55	0.0	-61.34	405.48	11.68	-49.66
CC[NH+](CC)C(C(=O)NC(CC(=O)[O-])CC1CCCC1)C1=CC=CC=C1	REAL300005584781	0	58	0.0	-46.26	395.69	11.58	-34.68
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005584789	1	50	0.0	-51.41	372.20	10.27	-41.14
C[NH+](C)C(C(=O)NC(CC(=O)[O-])CC1CCCC1)C1=CC=C(Cl)C=C1	REAL300005584793	1	52	0.0	-57.53	398.62	11.96	-45.57
O=C([O-])CC(CC1CCCC1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005584806	0	56	0.0	-78.95	412.96	12.69	-66.26
O=C([O-])CC(CC1CCCC1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005584813	0	59	0.0	-67.07	434.88	12.55	-54.52
CCN1CCC([NH+]2CCC(C(=O)NC(CC(=O)[O-])CC3CCCC3)CC2)CC1	REAL300005584819	0	67	0.0	-60.76	467.43	9.92	-50.84
O=C([O-])CC(CC1CCCC1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005584839	1	60	0.0	-72.69	437.70	12.39	-60.30
O=C([O-])CC(CC1CCCC1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005584839	1	60	0.0	-74.10	434.94	12.35	-61.75
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005584853	0	59	0.0	-65.46	413.10	12.16	-53.30
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005584853	1	59	0.0	-55.19	415.70	12.90	-42.29
CC1=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)C=NN1C1=CC=[NH+]C=C1	REAL300005584855	1	50	0.0	-80.30	386.81	9.45	-70.85
O=C([O-])CC(CC1CCCC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005584863	0	59	0.0	-78.91	429.71	13.40	-65.51
O=C([O-])CC(CC1CCCC1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005584876	1	52	0.0	-70.89	399.07	9.33	-61.56
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300005584877	0	55	0.0	-83.62	410.64	12.39	-71.23
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005584889	1	48	0.0	-63.14	361.90	8.68	-54.46
O=C([O-])CC(CC1CCCC1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005584890	1	57	0.0	-58.97	430.61	11.16	-47.81
O=C([O-])CC(CC1CCCC1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005584890	1	57	0.0	-73.99	430.37	11.45	-62.54
CC(C(=O)NC(CC(=O)[O-])CC1CCCC1)[NH+]1CCSCC1	REAL300005584946	1	50	0.0	-54.54	361.46	9.50	-45.04
C[N@H+](CC(=O)NC(CC(=O)[O-])CC1CCCC1)CC(C)(C)C	REAL300005584952	0	54	0.0	-67.67	379.70	9.98	-57.69
C[N@@H+](CC(=O)NC(CC(=O)[O-])CC1CCCC1)CC(C)(C)C	REAL300005584952	1	54	0.0	-51.50	386.41	10.21	-41.29
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005584954	0	55	0.0	-54.42	409.12	12.43	-41.99
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005584954	1	55	0.0	-72.18	411.77	12.03	-60.15
COCCOCC[N@H+](C)CCC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005584955	0	59	0.0	-61.62	444.83	7.89	-53.73
COCCOCC[N@@H+](C)CCC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005584955	1	59	0.0	-62.86	438.16	8.67	-54.19
C[N@@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005584959	0	53	0.0	-52.05	376.87	7.34	-44.71
C[N@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005584959	1	53	0.0	-62.94	374.10	7.75	-55.19
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300005584976	1	58	0.0	-71.34	426.23	11.02	-60.32
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300005584976	1	58	0.0	-58.89	410.71	11.17	-47.72
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300005584977	1	58	0.0	-71.78	421.80	10.12	-61.66
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300005584977	1	58	0.0	-65.59	424.92	10.82	-54.77
CCCCCC[N@H+](C)CC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005584979	0	57	0.0	-70.35	416.34	11.34	-59.01
CCCCCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005584979	1	57	0.0	-52.76	413.71	11.75	-41.01
O=C([O-])CC(CC1CCCC1)NC(=O)C12CCC[NH+]1CCC2	REAL300005584989	0	50	0.0	-52.81	361.05	9.23	-43.58
O=C([O-])CC(CC1CCCC1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005584997	1	44	0.0	-70.29	346.67	10.72	-59.57
C[N@H+](CC(=O)NC(CC(=O)[O-])CC1CCCC1)C1CCSC1	REAL300005585014	0	50	0.0	-55.59	369.32	10.24	-45.35
C[N@@H+](CC(=O)NC(CC(=O)[O-])CC1CCCC1)C1CCSC1	REAL300005585014	1	50	0.0	-59.21	374.64	9.42	-49.79
CC(C)[NH+]1CCN(CCC(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585029	0	60	0.0	-68.09	425.33	9.21	-58.88
CC(C)N1CC[NH+](CCC(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585029	1	60	0.0	-60.65	421.26	9.06	-51.59
CC(C)[NH+]1CCN(CCCC(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585030	0	63	0.0	-65.36	446.83	10.02	-55.34
CC(C)N1CC[NH+](CCCC(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585030	1	63	0.0	-65.29	442.76	9.86	-55.43
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005585031	0	53	0.0	-47.62	365.51	9.66	-37.96
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300005585031	1	53	0.0	-60.93	382.20	9.77	-51.16
C[NH+](C)CCN1C=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)C=N1	REAL300005585033	0	52	0.0	-76.46	401.66	9.12	-67.34
O=C([O-])CC(CC1CCCC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005585042	0	61	0.0	-65.18	441.89	11.39	-53.79
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005585045	0	58	0.0	-72.74	427.26	10.63	-62.11
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005585045	1	58	0.0	-73.26	432.93	10.26	-63.00
CC(C(=O)NC(CC(=O)[O-])CC1CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005585050	1	56	0.0	-67.86	411.24	12.00	-55.86
CC(C(=O)NC(CC(=O)[O-])CC1CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005585050	1	56	0.0	-67.80	408.04	12.09	-55.71
O=C([O-])CC(CC1CCCC1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005585074	0	59	0.0	-65.54	440.26	12.43	-53.11
O=C([O-])CC(CC1CCCC1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005585074	1	59	0.0	-64.47	438.60	12.38	-52.09
C[NH+](C)CCN1C=CC(C(=O)NC(CC(=O)[O-])CC2CCCC2)=N1	REAL300005585089	0	52	0.0	-86.80	401.85	8.44	-78.36
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585090	0	52	0.0	-54.88	387.69	9.82	-45.06
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585096	1	53	0.0	-56.62	395.94	11.19	-45.43
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])CC2CCCC2)CC[N@@H+]1C	REAL300005585099	0	52	0.0	-73.34	370.22	9.22	-64.12
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])CC2CCCC2)CC[N@H+]1C	REAL300005585099	1	52	0.0	-71.18	378.04	9.15	-62.03
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585103	1	48	0.0	-64.26	359.04	9.36	-54.90
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585103	1	48	0.0	-65.99	364.59	9.87	-56.12
CC1C[N@H+](C)CC(C(=O)NC(CC(=O)[O-])CC2CCCC2)O1	REAL300005585111	1	50	0.0	-60.11	358.57	8.21	-51.90
CC1C[N@@H+](C)CC(C(=O)NC(CC(=O)[O-])CC2CCCC2)O1	REAL300005585111	1	50	0.0	-63.59	375.13	8.32	-55.27
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005585117	0	59	0.0	-73.10	438.74	12.46	-60.64
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005585117	1	59	0.0	-73.27	444.48	12.18	-61.09
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300005585118	1	55	0.0	-42.60	406.87	9.74	-32.86
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300005585118	1	55	0.0	-58.30	406.19	10.38	-47.92
CC(C[NH+]1CCOCC1)C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585123	0	53	0.0	-73.52	383.79	8.31	-65.21
O=C([O-])CC(CC1CCCC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005585124	0	60	0.0	-77.79	443.24	10.35	-67.44
CC1CC[NH+](CC(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585134	0	52	0.0	-53.60	379.51	9.81	-43.79
CC[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005585149	1	50	0.0	-62.99	370.14	8.23	-54.76
CC[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005585149	1	50	0.0	-68.03	361.24	8.51	-59.52
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585188	1	59	0.0	-70.11	432.93	10.65	-59.46
O=C([O-])CC(CC1CCCC1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005585189	0	59	0.0	-54.76	412.13	11.46	-43.30
O=C([O-])CC(CC1CCCC1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005585189	1	59	0.0	-71.31	421.86	10.80	-60.51
C[N@@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585196	0	52	0.0	-63.69	377.20	10.56	-53.13
C[N@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585196	1	52	0.0	-71.97	378.94	8.99	-62.98
O=C([O-])CC(CC1CCCC1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300005585209	0	53	0.0	-64.26	374.77	9.80	-54.46
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585213	0	50	0.0	-74.18	356.31	5.67	-68.51
C[N@H+]1CC(O)CC1(C)C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585213	1	50	0.0	-73.84	354.30	5.70	-68.14
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005585214	0	53	0.0	-53.33	377.40	11.00	-42.33
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300005585214	1	53	0.0	-52.43	374.50	9.69	-42.74
CC(C)(C[NH+]1CCOCC1)C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585222	0	56	0.0	-69.11	387.35	8.48	-60.63
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC(=O)[O-])CC2CCCC2)C=N1	REAL300005585227	0	59	0.0	-78.23	432.10	9.57	-68.66
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC(=O)[O-])CC2CCCC2)C=N1	REAL300005585227	1	59	0.0	-85.67	441.09	9.81	-75.86
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC(=O)[O-])CC3CCCC3)=C2)CC1	REAL300005585232	0	61	0.0	-72.96	449.47	10.51	-62.45
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC(=O)[O-])CC3CCCC3)C=C2)CC1	REAL300005585233	0	61	0.0	-83.36	448.53	10.33	-73.03
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC(=O)[O-])CC3CCCC3)C=C2)CC1	REAL300005585233	1	61	0.0	-79.63	446.24	10.85	-68.78
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300005585234	0	62	0.0	-78.31	448.76	12.46	-65.85
CC(C)[NH+]1CCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585242	0	55	0.0	-59.71	381.60	10.16	-49.55
O=C([O-])CC(CC1CCCC1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300005585329	0	50	0.0	-74.66	350.49	8.63	-66.03
O=C([O-])CC(CC1CCCC1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300005585329	1	50	0.0	-81.58	358.08	8.31	-73.27
CC1CCC(C)[NH+]1CC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585382	0	52	0.0	-51.57	373.90	9.30	-42.27
C[NH+](C)CC1=CC=CC(C(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300005585383	0	52	0.0	-67.73	393.32	10.69	-57.04
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005585384	0	59	0.0	-53.98	421.72	13.46	-40.52
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005585384	1	59	0.0	-54.04	421.26	12.93	-41.11
C#CC[NH+]1CCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585454	0	51	0.0	-64.81	385.80	10.01	-54.80
CCC[N@@H+]1CCCCC1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585456	0	55	0.0	-53.74	383.58	10.34	-43.40
CCC[N@H+]1CCCCC1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585456	1	55	0.0	-65.39	393.91	10.58	-54.81
C[NH+](C)CC1=CC=CC=C1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585457	0	52	0.0	-53.78	383.59	11.37	-42.41
CC[NH+]1CCN(CCC(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585459	0	57	0.0	-65.04	413.76	7.85	-57.19
CCN1CC[NH+](CCC(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585459	1	57	0.0	-59.88	413.89	7.85	-52.03
CC(C)C(C(=O)NC(CC(=O)[O-])CC1CCCC1)[NH+]1CCCCC1	REAL300005585461	0	58	0.0	-65.91	406.88	11.07	-54.84
C[NH+](C)C(C(=O)NC(CC(=O)[O-])CC1CCCC1)C1=CC=CC=C1	REAL300005585462	1	52	0.0	-62.77	391.86	10.44	-52.33
O=C([O-])CC(CC1CCCC1)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005585466	0	57	0.0	-53.64	420.74	9.08	-44.56
O=C([O-])CC(CC1CCCC1)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005585466	1	57	0.0	-54.23	420.04	9.09	-45.14
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585472	1	53	0.0	-56.08	400.70	10.35	-45.73
C[NH+](C)CC1=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)OC2=CC=CC=C21	REAL300005585473	0	55	0.0	-58.96	414.21	11.13	-47.83
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005585479	0	56	0.0	-52.27	399.57	11.07	-41.20
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300005585479	1	56	0.0	-66.37	398.60	10.97	-55.40
CC(C)C(C(=O)NC(CC(=O)[O-])CC1CCCC1)[NH+]1CC(C)OC(C)C1	REAL300005585509	1	62	0.0	-43.15	434.21	9.76	-33.39
CC(C(=O)NC(CC(=O)[O-])CC1CCCC1)[NH+]1CCCCCC1	REAL300005585510	0	55	0.0	-50.93	387.11	9.99	-40.94
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(=O)[O-])CC3CCCC3)=CC=C1N2	REAL300005585548	1	57	0.0	-77.36	429.19	11.13	-66.23
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(=O)[O-])CC3CCCC3)=CC=C1N2	REAL300005585548	1	57	0.0	-77.82	429.39	11.10	-66.72
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)O1	REAL300005585603	0	55	0.0	-78.34	413.22	9.88	-68.46
O=C([O-])CC(CC1CCCC1)NC(=O)CCCC[NH+]1CCCC1	REAL300005585604	0	55	0.0	-68.02	400.93	11.40	-56.62
CC1=CC=C(N2CCC(C(=O)NC(CC(=O)[O-])CC3CCCC3)CC2)[NH+]=C1	REAL300005585606	1	58	0.0	-62.16	421.14	10.70	-51.46
C[N@H+](CC(=O)NC(CC(=O)[O-])CC1CCCC1)CC1=CC=CC=C1	REAL300005585607	1	52	0.0	-55.38	386.64	11.58	-43.80
C[N@@H+](CC(=O)NC(CC(=O)[O-])CC1CCCC1)CC1=CC=CC=C1	REAL300005585607	1	52	0.0	-73.52	389.29	11.18	-62.34
O=C([O-])CC(CC1CCCC1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005585629	1	47	0.0	-75.20	368.88	9.56	-65.64
C[NH+](C)CC1=CC(C(=O)NC(CC(=O)[O-])CC2CCCC2)=NO1	REAL300005585660	1	48	0.0	-72.48	373.77	8.20	-64.28
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585664	0	59	0.0	-79.47	437.24	12.59	-66.88
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585664	1	59	0.0	-61.96	427.11	12.76	-49.20
CC(C)[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585681	0	52	0.0	-58.02	356.91	9.98	-48.04
CC(C)[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585681	1	52	0.0	-50.27	360.14	9.44	-40.83
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300005585688	0	60	0.0	-83.47	455.10	12.08	-71.39
C[NH+]1CCC(OCC(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005585708	0	53	0.0	-81.06	392.64	9.69	-71.37
O=C([O-])CC(CC1CCCC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005585713	0	56	0.0	-79.11	423.32	10.62	-68.49
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC(=O)[O-])CC2CCCC2)[C@@H](C(F)(F)F)C1	REAL300005585758	0	58	0.0	-68.69	430.44	10.80	-57.89
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC(=O)[O-])CC2CCCC2)[C@@H](C(F)(F)F)C1	REAL300005585758	1	58	0.0	-72.44	429.66	10.21	-62.23
CCC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005585911	0	55	0.0	-50.77	390.80	10.47	-40.30
CCC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005585911	1	55	0.0	-71.25	391.25	10.40	-60.85
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585944	0	55	0.0	-66.42	396.36	9.61	-56.81
CC(C)C[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300005585944	1	55	0.0	-68.50	391.05	9.27	-59.23
O=C([O-])CC(CC1CCCC1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300005585945	0	53	0.0	-54.39	390.34	6.50	-47.89
O=C([O-])CC(CC1CCCC1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005586047	0	60	0.0	-77.53	437.84	12.93	-64.60
O=C([O-])CC(CC1CCCC1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005586047	1	60	0.0	-59.38	433.56	13.62	-45.76
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005586088	1	59	0.0	-65.50	422.60	12.34	-53.16
O=C([O-])CC(CC1CCCC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005586088	1	59	0.0	-64.78	432.70	12.02	-52.76
CC(C)[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005586183	0	55	0.0	-69.75	391.32	10.38	-59.37
CC(C)[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005586183	1	55	0.0	-62.28	385.07	10.58	-51.70
C[N@@H+]1CC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C(C(F)(F)F)C1	REAL300005586184	0	49	0.0	-72.14	380.61	8.78	-63.36
C[N@H+]1CC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C(C(F)(F)F)C1	REAL300005586184	1	49	0.0	-79.07	376.73	9.33	-69.74
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(=O)[O-])CC2CCCC2)N1	REAL300005586208	1	50	0.0	-66.21	387.54	8.27	-57.94
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300005586708	0	55	0.0	-71.28	415.81	11.54	-59.74
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300005586716	0	56	0.0	-80.77	417.95	11.33	-69.44
O=C([O-])CC(CC1CCCC1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005586818	0	62	0.0	-70.21	456.87	12.87	-57.34
CC1CN(CC2=CC=C(C(=O)NC(CC(=O)[O-])CC3CCCC3)C=C2)CCO1	REAL300005586820	0	60	0.0	-86.75	438.31	11.26	-75.49
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC(=O)[O-])CC3CCCC3)C=C2)CCO1	REAL300005586820	1	60	0.0	-86.92	438.36	11.26	-75.66
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC(=O)[O-])CC3CCCC3)C=C2)CCO1	REAL300005586820	1	60	0.0	-86.92	438.36	11.26	-75.66
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300005586867	0	55	0.0	-64.85	389.53	9.67	-55.18
CC1=[NH+]C=C2C=CC(C(=O)NC(CC(=O)[O-])CC3CCCC3)=CN21	REAL300005586871	0	47	0.0	-68.92	368.76	10.22	-58.70
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005586934	0	58	0.0	-68.94	418.61	10.71	-58.23
CC(C)C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005586934	1	58	0.0	-58.54	417.65	10.91	-47.63
CC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005586935	0	52	0.0	-70.80	374.70	9.88	-60.92
CC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005586935	1	52	0.0	-60.00	368.60	9.82	-50.18
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])CC2CCCC2)O1	REAL300005586941	1	49	0.0	-80.34	381.75	8.74	-71.60
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005586947	0	58	0.0	-67.88	405.67	10.34	-57.54
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300005586947	1	58	0.0	-69.06	388.11	10.58	-58.48
O=C([O-])CC(CC1CCCC1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300005586950	1	51	0.0	-61.70	363.44	10.62	-51.08
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005588273	0	55	0.0	-81.12	399.97	10.38	-70.74
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005589050	0	52	0.0	-49.77	393.04	10.51	-39.26
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005589050	1	52	0.0	-47.29	385.77	9.83	-37.46
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300005589852	1	52	0.0	-55.08	410.02	11.05	-44.03
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300005589852	1	52	0.0	-48.37	402.66	10.36	-38.01
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC2=C[NH+]=C(C)N2C1	REAL300005589944	1	47	0.0	-66.78	345.82	7.88	-58.90
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005589945	0	55	0.0	-58.34	403.58	10.52	-47.82
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300005590010	1	54	0.0	-64.76	416.52	8.75	-56.01
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005590088	0	58	0.0	-72.29	442.07	10.46	-61.83
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300005590102	0	58	0.0	-72.88	442.83	12.90	-59.98
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300005590102	1	58	0.0	-80.03	432.86	12.20	-67.83
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005590103	0	58	0.0	-67.65	412.35	10.80	-56.85
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300005590186	0	54	0.0	-76.58	358.18	10.33	-66.25
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)CC[N@H+](C)C1CCCCC1	REAL300005590189	0	54	0.0	-57.80	386.64	9.31	-48.49
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300005590189	1	54	0.0	-58.70	386.64	9.30	-49.40
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005590213	1	55	0.0	-69.20	404.09	10.37	-58.83
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005590213	1	55	0.0	-70.20	403.45	10.35	-59.85
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005590214	1	52	0.0	-55.90	399.69	10.60	-45.30
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005590214	1	52	0.0	-49.03	392.33	9.91	-39.12
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005590268	0	48	0.0	-73.09	375.87	8.43	-64.66
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300005590273	0	58	0.0	-82.30	435.91	10.04	-72.26
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005590299	0	55	0.0	-65.55	372.04	9.09	-56.46
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005590299	1	55	0.0	-64.94	371.13	9.09	-55.85
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005590300	0	56	0.0	-66.72	400.05	8.10	-58.62
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)CCCC[NH+]1CCOCC1	REAL300005590328	1	52	0.0	-78.77	376.90	6.76	-72.01
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1	REAL300005590330	0	57	0.0	-82.61	395.71	9.82	-72.79
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CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005590992	0	52	0.0	-59.09	356.17	8.87	-50.22
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300005590992	1	52	0.0	-59.71	355.99	9.97	-49.74
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1	REAL300005591016	1	58	0.0	-45.97	393.42	8.94	-37.03
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300005591043	1	53	0.0	-83.04	391.60	9.10	-73.94
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300005591043	1	53	0.0	-83.04	391.81	9.06	-73.98
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[NH+](CC)CC)O1	REAL300005591096	0	51	0.0	-80.64	375.55	8.09	-72.55
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300005591097	1	54	0.0	-63.29	402.51	8.81	-54.48
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300005591098	1	48	0.0	-54.59	364.75	9.44	-45.15
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300005591098	1	48	0.0	-71.86	354.73	8.71	-63.15
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300005591101	0	60	0.0	-74.72	434.26	9.67	-65.05
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005591112	1	43	0.0	-80.97	337.96	6.60	-74.37
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300005591146	0	55	0.0	-66.38	411.60	10.79	-55.59
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005591146	1	55	0.0	-62.68	412.69	10.86	-51.82
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005591164	0	56	0.0	-75.61	430.49	10.19	-65.42
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)COC1CC[NH+](C)CC1	REAL300005591179	0	49	0.0	-69.85	368.18	7.81	-62.04
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005591183	0	52	0.0	-66.46	393.17	9.40	-57.06
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300005591214	0	54	0.0	-77.60	393.02	8.35	-69.25
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300005591214	1	54	0.0	-70.94	391.95	8.40	-62.54
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C[NH+]1CCC(CO)CC1	REAL300005591374	1	49	0.0	-53.77	361.71	4.95	-48.82
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005591459	0	56	0.0	-79.79	406.88	10.61	-69.18
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005591459	1	56	0.0	-80.58	408.94	10.67	-69.91
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005591491	1	55	0.0	-51.25	412.96	10.97	-40.28
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005591491	1	55	0.0	-66.34	395.58	10.23	-56.11
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300005591574	0	45	0.0	-56.03	352.52	7.55	-48.48
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300005591574	1	45	0.0	-89.92	328.77	7.65	-82.27
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300005592007	0	51	0.0	-78.71	379.05	9.48	-69.23
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300005592013	0	52	0.0	-86.22	386.05	8.41	-77.81
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005592092	0	58	0.0	-64.23	427.83	11.76	-52.47
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300005592094	1	56	0.0	-86.77	403.57	8.77	-78.00
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300005592094	1	56	0.0	-73.91	413.66	9.47	-64.44
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300005592178	0	54	0.0	-72.19	379.28	8.85	-63.34
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300005592178	1	54	0.0	-72.19	379.28	8.85	-63.34
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300005592186	0	54	0.0	-67.33	378.10	8.93	-58.40
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300005592186	1	54	0.0	-67.33	378.10	8.93	-58.40
O=C([O-])C1(C(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)CC1	REAL300005592451	0	47	0.0	-60.00	385.98	9.60	-50.40
O=C([O-])C1(C(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)CC1	REAL300005592452	0	47	0.0	-60.00	385.98	9.60	-50.40
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)C1	REAL300005592453	0	53	0.0	-85.12	418.07	10.87	-74.25
O=C([O-])C12CC(C(=O)NCC(C3=CC=C(C(F)(F)F)C=C3)[NH+]3CCCC3)(C1)C2	REAL300005592454	0	51	0.0	-78.82	413.53	10.86	-67.96
O=C([O-])C1(C(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)CCC1	REAL300005592455	0	50	0.0	-54.94	397.30	10.27	-44.67
CC(C)(C(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592456	0	49	0.0	-78.07	388.70	10.40	-67.67
O=C([O-])CCCC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592457	0	49	0.0	-79.62	395.63	9.79	-69.83
CC(CC(=O)[O-])CC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592458	0	52	0.0	-79.23	408.23	10.23	-69.00
O=C([O-])C1(C(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)CCCC1	REAL300005592460	0	53	0.0	-57.17	414.66	10.96	-46.21
O=C([O-])COCC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592461	0	47	0.0	-81.37	387.76	9.04	-72.33
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)C1	REAL300005592462	0	53	0.0	-85.12	418.07	10.87	-74.25
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592463	0	50	0.0	-65.30	393.63	10.25	-55.05
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592464	0	50	0.0	-65.30	393.63	10.25	-55.05
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592465	0	47	0.0	-54.99	374.60	9.24	-45.75
CCC(C(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592466	0	49	0.0	-54.40	388.44	9.71	-44.69
CC(C)C(C(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592467	0	52	0.0	-58.10	409.69	10.19	-47.91
O=C([O-])[C@@H]1C[C@H]1C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592468	0	47	0.0	-74.02	386.87	9.83	-64.19
O=C([O-])[C@H]1C[C@@H](C(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)C1	REAL300005592469	0	50	0.0	-78.75	402.13	10.27	-68.48
CC1(C(=O)[O-])CC(C(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)C1	REAL300005592470	0	53	0.0	-72.51	417.99	10.59	-61.92
CCCC(C(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592472	0	52	0.0	-61.99	415.11	10.40	-51.59
O=C([O-])C1(C(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)CC=CC1	REAL300005592473	0	51	0.0	-56.49	406.97	10.82	-45.67
O=C([O-])CC1(CC(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)CC1	REAL300005592474	0	53	0.0	-72.90	416.58	11.50	-61.40
C[C@]1(C(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)C[C@H]1C(=O)[O-]	REAL300005592476	0	50	0.0	-76.68	404.72	10.26	-66.42
CC(C(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592477	0	46	0.0	-75.99	371.46	9.82	-66.17
CC1CC1(C(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592478	0	50	0.0	-54.00	399.12	10.38	-43.62
C=C1CCC1(C(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592479	0	51	0.0	-56.35	411.38	10.67	-45.68
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300005592480	0	53	0.0	-69.73	416.53	10.81	-58.92
CC1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300005593480	0	50	0.0	-82.04	372.91	11.24	-70.80
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C)C3C(=O)[O-])CC2)=CS1	REAL300005594710	1	49	0.0	-82.76	380.67	9.06	-73.70
CC1CCN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C1C(=O)[O-]	REAL300005594755	0	53	0.0	-86.14	406.15	10.67	-75.47
CC1CCN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C1C(=O)[O-]	REAL300005594760	0	53	0.0	-82.82	402.65	12.60	-70.22
CC1CCN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C1C(=O)[O-]	REAL300005594760	1	53	0.0	-84.11	402.59	12.59	-71.52
CC1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1C(=O)[O-]	REAL300005594871	0	43	0.0	-89.83	335.86	8.45	-81.38
CC1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1C(=O)[O-]	REAL300005594889	0	51	0.0	-84.63	363.90	8.33	-76.30
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C)C2C(=O)[O-])C=C1)C(C)C	REAL300005594907	0	52	0.0	-55.46	363.92	9.91	-45.55
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C)C2C(=O)[O-])C=C1)C(C)C	REAL300005594907	1	52	0.0	-88.05	362.85	10.62	-77.43
CC1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300005594922	0	47	0.0	-73.27	353.01	10.14	-63.13
CC1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300005594922	1	47	0.0	-70.07	353.22	10.45	-59.62
CC1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1C(=O)[O-]	REAL300005594923	0	48	0.0	-83.16	355.91	9.95	-73.21
CC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1C(=O)[O-]	REAL300005594944	0	51	0.0	-72.66	353.24	8.04	-64.62
CC(C(=O)N1CCC(C)C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005594947	0	46	0.0	-65.93	352.57	9.78	-56.15
CC(C(=O)N1CCC(C)C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005594947	1	46	0.0	-67.07	341.91	10.21	-56.86
CC1CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300005594953	0	53	0.0	-60.42	388.61	11.87	-48.55
CC1CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300005594953	1	53	0.0	-78.34	392.77	11.52	-66.82
CC1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1C(=O)[O-]	REAL300005594988	0	47	0.0	-60.36	351.98	9.91	-50.45
CC1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1C(=O)[O-]	REAL300005594992	0	50	0.0	-79.50	367.50	10.86	-68.64
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C)C3C(=O)[O-])CC2)CC1	REAL300005594998	0	58	0.0	-80.74	408.77	9.12	-71.62
CC1CCN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C1C(=O)[O-]	REAL300005595004	1	54	0.0	-62.75	402.04	9.64	-53.11
CC1CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300005595014	1	51	0.0	-84.23	378.35	10.57	-73.66
CC1CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300005595014	1	51	0.0	-82.29	391.51	10.62	-71.67
CC1=C(C(=O)N2CCC(C)C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005595028	1	41	0.0	-85.20	327.60	7.65	-77.55
CC1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1C(=O)[O-]	REAL300005595031	0	50	0.0	-91.84	365.09	11.28	-80.56
CC1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1C(=O)[O-]	REAL300005595041	1	43	0.0	-80.66	331.32	8.56	-72.10
CC1CCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1C(=O)[O-]	REAL300005595042	0	46	0.0	-67.36	349.66	9.60	-57.76
CC1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300005595045	1	48	0.0	-87.08	360.87	9.79	-77.29
CC1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300005595045	1	48	0.0	-85.49	362.74	9.62	-75.87
CC(C(=O)N1CCC(C)C1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005595053	0	56	0.0	-64.62	408.83	12.33	-52.29
CC1CCN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1C(=O)[O-]	REAL300005595079	0	46	0.0	-68.03	357.73	10.27	-57.76
CC1CCN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1C(=O)[O-]	REAL300005595079	1	46	0.0	-64.61	348.78	10.65	-53.96
COCCOCC[N@H+](C)CCC(=O)N1CCC(C)C1C(=O)[O-]	REAL300005595080	0	50	0.0	-70.83	380.21	6.55	-64.28
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C)C1C(=O)[O-]	REAL300005595080	1	50	0.0	-72.48	385.42	6.70	-65.78
CC1CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300005595086	0	55	0.0	-79.32	411.54	10.21	-69.11
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300005595110	0	51	0.0	-75.33	365.01	7.50	-67.83
CC(C)N1CC[NH+](CCC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300005595110	1	51	0.0	-71.48	369.09	7.04	-64.44
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300005595111	0	54	0.0	-77.15	383.81	7.54	-69.61
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300005595111	1	54	0.0	-75.23	390.59	7.85	-67.38
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C)C3C(=O)[O-])CC2)=C1	REAL300005595115	0	55	0.0	-74.33	406.28	9.92	-64.41
CC1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300005595116	0	52	0.0	-75.20	390.04	9.41	-65.79
CC1CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1C(=O)[O-]	REAL300005595119	0	49	0.0	-70.40	361.05	9.24	-61.16
CC1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1C(=O)[O-]	REAL300005595119	1	49	0.0	-71.11	366.62	9.57	-61.54
CC(C(=O)N1CCC(C)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005595123	1	47	0.0	-32.77	342.18	9.82	-22.95
CC(C(=O)N1CCC(C)C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005595123	1	47	0.0	-65.05	342.15	10.27	-54.78
CC1CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300005595139	0	50	0.0	-78.22	374.73	11.53	-66.69
CC1CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300005595139	1	50	0.0	-77.84	375.38	11.42	-66.42
CC1CCN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1C(=O)[O-]	REAL300005595149	1	44	0.0	-86.62	337.71	7.04	-79.58
CC1CCN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1C(=O)[O-]	REAL300005595149	1	44	0.0	-87.52	340.04	7.31	-80.21
CC1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1C(=O)[O-]	REAL300005595156	0	50	0.0	-68.81	374.69	11.46	-57.35
CC1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1C(=O)[O-]	REAL300005595156	1	50	0.0	-70.97	376.95	11.44	-59.53
CC1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1C(=O)[O-]	REAL300005595158	0	51	0.0	-74.57	387.80	8.82	-65.75
CC1CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1C(=O)[O-]	REAL300005595179	0	50	0.0	-71.87	354.62	9.92	-61.95
CC1CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1C(=O)[O-]	REAL300005595179	1	50	0.0	-70.37	352.01	9.96	-60.41
CC1CCN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C1C(=O)[O-]	REAL300005595195	0	52	0.0	-80.52	384.57	8.43	-72.09
CC1CCN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C1C(=O)[O-]	REAL300005595196	0	52	0.0	-67.18	385.78	8.19	-58.99
CC1CCN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C1C(=O)[O-]	REAL300005595196	1	52	0.0	-92.59	381.93	8.78	-83.81
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300005595197	0	53	0.0	-90.55	384.40	10.31	-80.24
CC1CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1C(=O)[O-]	REAL300005595247	0	54	0.0	-96.20	397.09	8.64	-87.56
CC1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300005595249	0	50	0.0	-64.39	362.03	11.45	-52.94
CC1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300005595249	1	50	0.0	-63.48	365.39	11.28	-52.20
CC1CCN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C1C(=O)[O-]	REAL300005595327	1	48	0.0	-94.77	366.43	9.93	-84.84
CC1CCN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C1C(=O)[O-]	REAL300005595327	1	48	0.0	-90.56	367.87	9.33	-81.23
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C)C2C(=O)[O-])O1	REAL300005595365	0	46	0.0	-86.64	350.10	8.98	-77.66
CC1=CC=C(N2CCC(C(=O)N3CCC(C)C3C(=O)[O-])CC2)[NH+]=C1	REAL300005595367	1	49	0.0	-77.30	366.64	8.66	-68.64
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(C)C3C(=O)[O-])C=C2)CC1	REAL300005595370	0	55	0.0	-90.82	391.86	9.85	-80.97
CC1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1C(=O)[O-]	REAL300005595377	1	38	0.0	-85.07	311.11	7.15	-77.92
CC1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C1C(=O)[O-]	REAL300005595401	0	50	0.0	-82.53	372.38	11.20	-71.33
CC1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C1C(=O)[O-]	REAL300005595401	1	50	0.0	-72.36	371.75	10.76	-61.60
CC1CCN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C1C(=O)[O-]	REAL300005595416	0	51	0.0	-90.93	398.79	10.51	-80.42
CC1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1C(=O)[O-]	REAL300005595428	0	47	0.0	-85.21	354.48	9.58	-75.63
CC1CCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1C(=O)[O-]	REAL300005595662	0	40	0.0	-86.90	312.82	7.67	-79.23
CC1CCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1C(=O)[O-]	REAL300005595662	1	40	0.0	-76.05	321.76	7.47	-68.58
CC1CCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1C(=O)[O-]	REAL300005595938	0	46	0.0	-83.87	348.44	9.84	-74.03
CC1CCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C1C(=O)[O-]	REAL300005595941	0	47	0.0	-92.34	353.46	9.29	-83.05
CC1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300005595999	0	53	0.0	-78.05	396.88	11.97	-66.08
CC1CCN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C1C(=O)[O-]	REAL300005596001	1	51	0.0	-92.06	384.66	9.72	-82.34
CC1CCN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C1C(=O)[O-]	REAL300005596001	1	51	0.0	-90.52	386.33	9.08	-81.44
CC1=CC(C)=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300005596129	0	50	0.0	-50.39	365.62	10.82	-39.57
CC1=CC(C)=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300005596129	1	50	0.0	-45.32	364.96	10.38	-34.94
CCC1=CC=CC2=C1CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300005596248	0	50	0.0	-48.81	369.49	10.80	-38.01
CCC1=CC=CC2=C1CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300005596248	1	50	0.0	-45.09	361.95	10.35	-34.74
C=CCC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005597615	0	54	0.0	-82.97	402.64	11.37	-71.60
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005598385	0	51	0.0	-55.87	383.26	10.61	-45.26
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005598385	1	51	0.0	-67.28	386.60	10.89	-56.39
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005599234	1	51	0.0	-69.57	402.27	11.39	-58.18
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005599234	1	51	0.0	-70.80	399.44	11.06	-59.74
C=CCC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300005599309	0	48	0.0	-78.28	351.32	9.05	-69.23
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C1	REAL300005599337	1	46	0.0	-66.46	357.79	9.20	-57.26
C=CCC1(C(=O)[O-])CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300005599338	0	54	0.0	-66.91	407.83	11.59	-55.32
C=CCC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C1	REAL300005599414	1	53	0.0	-82.09	410.00	9.12	-72.97
C=CCC1(C(=O)[O-])CCN(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300005599415	1	49	0.0	-72.71	352.75	6.01	-66.70
C=CCC1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300005599499	0	57	0.0	-76.35	439.73	11.30	-65.05
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300005599511	0	57	0.0	-78.44	438.73	13.23	-65.21
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300005599511	1	57	0.0	-79.83	438.67	13.22	-66.61
C=CCC1(C(=O)[O-])CCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005599513	0	57	0.0	-69.10	412.21	11.67	-57.43
C=CCC1(C(=O)[O-])CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300005599598	0	53	0.0	-69.25	360.46	9.74	-59.51
C=CCC1(C(=O)[O-])CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300005599602	0	53	0.0	-72.98	384.07	10.16	-62.82
C=CCC1(C(=O)[O-])CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300005599602	1	53	0.0	-71.91	386.14	10.26	-61.65
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005599625	1	54	0.0	-52.28	403.01	11.42	-40.86
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005599625	1	54	0.0	-57.59	409.72	11.64	-45.95
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005599626	1	51	0.0	-70.44	391.95	10.94	-59.50
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005599626	1	51	0.0	-71.63	389.12	10.60	-61.03
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300005599683	0	47	0.0	-60.55	370.25	8.63	-51.92
C=CCC1(C(=O)[O-])CCN(C(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)C1	REAL300005599688	0	57	0.0	-80.42	438.82	11.00	-69.42
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300005599713	0	54	0.0	-60.60	378.98	10.20	-50.40
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300005599713	1	54	0.0	-60.25	375.99	10.14	-50.11
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300005599714	0	55	0.0	-73.22	387.14	8.29	-64.93
C=CCC1(C(=O)[O-])CCN(C(=O)CCCN2C=C[NH+]=C2C)C1	REAL300005599745	1	45	0.0	-69.95	356.63	9.46	-60.49
C=CCC1(C(=O)[O-])CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300005599746	1	51	0.0	-77.71	382.93	8.09	-69.62
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@@H+](CC)C(C)C)C=C2)C1	REAL300005599748	0	56	0.0	-71.30	408.37	11.09	-60.21
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@H+](CC)C(C)C)C=C2)C1	REAL300005599748	1	56	0.0	-81.53	399.91	10.82	-70.71
C=CCC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005599773	0	51	0.0	-71.68	383.77	10.70	-60.98
C=CCC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005599773	1	51	0.0	-65.44	387.26	10.92	-54.52
C=CCC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300005599774	0	52	0.0	-85.39	381.70	9.82	-75.57
C=CCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C1	REAL300005599803	1	56	0.0	-64.10	419.81	9.52	-54.58
C=CCC1(C(=O)[O-])CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300005599804	0	55	0.0	-69.83	382.41	8.39	-61.44
C=CCC1(C(=O)[O-])CCN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300005599807	0	50	0.0	-70.18	379.78	10.41	-59.77
C=CCC1(C(=O)[O-])CCN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300005599807	1	50	0.0	-66.67	376.12	10.29	-56.38
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300005599818	0	57	0.0	-67.79	422.48	12.62	-55.17
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300005599818	1	57	0.0	-61.25	418.93	12.47	-48.78
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300005599847	0	46	0.0	-73.65	354.21	7.67	-65.98
C=CCC1(C(=O)[O-])CCN(C(=O)CCC[NH+](CCC)CCC)C1	REAL300005599858	0	55	0.0	-72.31	402.75	10.43	-61.88
C=CCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300005599859	1	55	0.0	-55.12	410.85	8.27	-46.85
C=CCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[N@@H+](C)CC)C1	REAL300005599860	0	50	0.0	-63.46	376.76	10.46	-53.00
C=CCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[N@H+](C)CC)C1	REAL300005599860	1	50	0.0	-61.08	377.85	10.56	-50.52
C=CCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+](CC)CC)C1	REAL300005599865	0	53	0.0	-67.25	380.88	10.88	-56.37
C=CCC1(C(=O)[O-])CCN(C(=O)CN2C=C[NH+]=C2C(C)C)C1	REAL300005599871	1	45	0.0	-66.81	351.85	9.19	-57.62
C=CCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C1	REAL300005599873	1	47	0.0	-56.69	375.03	10.27	-46.42
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300005599887	0	51	0.0	-83.21	385.84	10.69	-72.52
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300005599894	0	54	0.0	-75.57	402.46	11.39	-64.18
C=CCC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)C1	REAL300005599901	0	62	0.0	-80.24	432.74	8.88	-71.36
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C1	REAL300005599908	1	58	0.0	-67.52	434.17	10.38	-57.14
C=CCC1(C(=O)[O-])CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005599919	1	55	0.0	-80.95	422.90	11.16	-69.79
C=CCC1(C(=O)[O-])CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005599919	1	55	0.0	-81.45	412.41	10.99	-70.46
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005599934	0	54	0.0	-49.98	396.59	11.35	-38.63
C=CCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005599934	1	54	0.0	-58.63	404.24	11.66	-46.97
C=CCC1(C(=O)[O-])CCN(C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005599936	1	45	0.0	-76.85	357.82	8.07	-68.78
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300005599944	0	54	0.0	-76.56	405.34	11.50	-65.06
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300005599956	1	47	0.0	-74.55	368.16	8.78	-65.77
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300005599957	0	50	0.0	-79.68	386.28	10.49	-69.19
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CCC[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005605551	1	51	0.0	-67.94	384.66	8.64	-59.30
CCC[C@@H](CC(=O)[O-])NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005605555	1	49	0.0	-52.75	370.48	9.94	-42.81
CCC[C@@H](CC(=O)[O-])NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005605555	1	49	0.0	-52.23	370.63	9.96	-42.27
CCC[C@@H](CC(=O)[O-])NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005605582	0	52	0.0	-65.11	400.60	10.60	-54.51
CCC[C@@H](CC(=O)[O-])NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005605582	1	52	0.0	-65.54	400.40	10.62	-54.92
CCC[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005605607	0	52	0.0	-62.19	403.01	10.60	-51.59
CCC[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005605607	1	52	0.0	-67.07	396.20	10.57	-56.50
CCC[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300005605608	1	48	0.0	-60.71	375.67	8.21	-52.50
CCC[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300005605608	1	48	0.0	-57.42	374.51	8.16	-49.26
CCC[C@@H](CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005605610	0	53	0.0	-60.62	406.13	8.11	-52.51
CCC[C@@H](CC(=O)[O-])NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1	REAL300005605642	1	52	0.0	-70.13	392.92	8.79	-61.34
CCC[C@@H](CC(=O)[O-])NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005605643	0	52	0.0	-70.12	380.77	9.08	-61.04
CCC[C@@H](CC(=O)[O-])NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005605643	1	52	0.0	-68.95	380.42	9.05	-59.90
CCC[C@@H](CC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300005605659	0	57	0.0	-59.30	421.92	9.77	-49.53
CCC[C@@H](CC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300005605659	1	57	0.0	-71.55	425.24	9.62	-61.93
CCC[C@@H](CC(=O)[O-])NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300005605663	0	49	0.0	-50.80	354.90	6.32	-44.48
CCC[C@@H](CC(=O)[O-])NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300005605667	0	58	0.0	-65.54	410.80	8.58	-56.96
CCC[C@@H](CC(=O)[O-])NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300005605667	1	58	0.0	-79.53	426.17	8.58	-70.95
CCC[C@@H](CC(=O)[O-])NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300005605668	0	52	0.0	-70.13	386.19	7.92	-62.21
CCC[C@@H](CC(=O)[O-])NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300005605668	1	52	0.0	-76.33	391.76	7.73	-68.60
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300005605673	0	54	0.0	-72.18	411.80	8.05	-64.13
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300005605674	0	54	0.0	-78.76	411.48	8.01	-70.75
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300005605674	1	54	0.0	-82.93	410.95	7.88	-75.05
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300005605675	0	55	0.0	-80.23	414.01	9.44	-70.79
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005605750	0	56	0.0	-84.47	426.11	7.74	-76.73
CCC[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005605752	0	52	0.0	-59.25	396.55	10.54	-48.71
CCC[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005605752	1	52	0.0	-52.06	384.58	10.63	-41.43
CCC[C@@H](CC(=O)[O-])NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005605807	0	50	0.0	-66.82	388.60	6.62	-60.20
CCC[C@@H](CC(=O)[O-])NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005605807	1	50	0.0	-68.02	388.06	6.54	-61.48
CCC[C@@H](CC(=O)[O-])NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300005605811	0	48	0.0	-59.54	373.98	8.92	-50.62
CCC[C@@H](CC(=O)[O-])NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC	REAL300005605813	0	54	0.0	-67.74	414.51	10.35	-57.39
CCC[C@@H](CC(=O)[O-])NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1	REAL300005605838	1	55	0.0	-45.43	381.09	8.72	-36.71
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300005605861	1	50	0.0	-77.89	388.28	9.25	-68.64
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300005605861	1	50	0.0	-80.30	387.87	9.00	-71.30
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[NH+](CC)CC)O1	REAL300005605911	0	48	0.0	-76.28	374.24	8.26	-68.02
CCC[C@@H](CC(=O)[O-])NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300005605913	1	51	0.0	-64.64	389.47	8.43	-56.21
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300005605916	0	57	0.0	-77.33	421.76	9.23	-68.10
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005605925	1	40	0.0	-74.10	334.43	6.81	-67.29
CCC[C@@H](CC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300005605956	0	52	0.0	-68.28	399.09	10.34	-57.94
CCC[C@@H](CC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005605956	1	52	0.0	-73.10	396.44	10.22	-62.88
CCC[C@@H](CC(=O)[O-])NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005605972	0	53	0.0	-76.82	418.06	9.82	-67.00
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005605988	0	49	0.0	-77.66	379.81	8.68	-68.98
CCC[C@@H](CC(=O)[O-])NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300005606014	0	51	0.0	-75.03	388.33	8.27	-66.76
CCC[C@@H](CC(=O)[O-])NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300005606014	1	51	0.0	-70.13	386.96	8.37	-61.76
CCC[C@@H](CC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005606215	0	53	0.0	-69.97	404.32	10.85	-59.12
CCC[C@@H](CC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005606215	1	53	0.0	-72.38	406.80	10.82	-61.56
CCC[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005606244	1	52	0.0	-63.42	399.60	10.36	-53.06
CCC[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005606244	1	52	0.0	-63.71	390.31	10.18	-53.53
CCC[C@@H](CC(=O)[O-])NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300005606312	0	42	0.0	-69.99	338.41	7.17	-62.82
CCC[C@@H](CC(=O)[O-])NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300005606312	1	42	0.0	-71.18	338.29	6.89	-64.29
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300005606682	0	48	0.0	-76.45	375.37	9.42	-67.03
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300005606686	0	49	0.0	-82.12	382.66	8.36	-73.76
CCC[C@@H](CC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005606753	0	55	0.0	-64.26	415.35	11.29	-52.97
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300005606755	1	53	0.0	-76.16	401.10	9.03	-67.13
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300005606755	1	53	0.0	-76.22	401.16	9.03	-67.19
C=CCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005607952	0	47	0.0	-73.88	370.51	9.51	-64.37
C=CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005608642	0	44	0.0	-59.98	354.53	9.08	-50.90
C=CCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005608642	1	44	0.0	-58.24	347.26	8.52	-49.72
C=CCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300005609292	0	47	0.0	-63.66	373.49	9.49	-54.17
C=CCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300005609333	1	46	0.0	-73.67	378.24	7.33	-66.34
C=CCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005609374	0	50	0.0	-77.01	403.53	9.15	-67.86
C=CCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005609382	0	50	0.0	-78.04	403.77	11.44	-66.60
C=CCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005609382	1	50	0.0	-77.90	404.60	11.41	-66.49
C=CCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005609383	0	50	0.0	-53.57	381.38	9.97	-43.60
C=CCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609418	0	47	0.0	-63.87	384.78	9.72	-54.15
C=CCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609418	1	47	0.0	-64.32	385.63	9.89	-54.43
C=CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005609452	1	47	0.0	-54.92	374.76	9.54	-45.38
C=CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005609452	1	47	0.0	-62.37	363.15	9.39	-52.98
C=CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005609453	1	44	0.0	-65.37	361.39	9.11	-56.26
C=CCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005609453	1	44	0.0	-59.39	358.61	9.02	-50.37
C=CCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005609492	0	40	0.0	-78.39	338.89	6.98	-71.41
C=CCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300005609497	0	50	0.0	-80.16	402.74	9.15	-71.01
C=CCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005609520	0	48	0.0	-76.43	361.18	6.67	-69.76
C=CCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300005609535	0	49	0.0	-76.37	375.60	9.47	-66.90
C=CCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300005609535	1	49	0.0	-79.79	368.03	9.17	-70.62
C=CCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609554	0	44	0.0	-64.67	352.86	8.70	-55.97
C=CCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609554	1	44	0.0	-65.26	352.89	8.71	-56.55
C=CCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005609555	0	45	0.0	-72.68	349.52	7.98	-64.70
C=CCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300005609574	1	49	0.0	-63.92	383.14	7.64	-56.28
C=CCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005609575	0	48	0.0	-67.47	346.78	6.31	-61.16
C=CCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609583	0	50	0.0	-57.22	387.09	10.59	-46.63
C=CCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609583	1	50	0.0	-68.14	393.37	10.38	-57.76
C=CCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300005609620	1	48	0.0	-57.46	376.81	6.31	-51.15
C=CCC(NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300005609625	0	46	0.0	-61.02	348.41	8.68	-52.34
C=CCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300005609626	1	40	0.0	-61.81	341.10	8.35	-53.46
C=CCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005609638	0	44	0.0	-80.08	351.82	8.90	-71.18
C=CCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005609643	0	47	0.0	-73.89	369.45	9.67	-64.22
C=CCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300005609648	0	55	0.0	-69.43	404.33	7.34	-62.09
C=CCC(NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300005609650	0	57	0.0	-65.15	452.89	13.07	-52.08
C=CCC(NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300005609650	1	57	0.0	-71.87	451.93	12.78	-59.09
C=CCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300005609654	1	51	0.0	-83.66	401.89	8.74	-74.92
C=CCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005609664	1	48	0.0	-76.24	377.05	8.87	-67.37
C=CCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005609664	1	48	0.0	-77.59	383.80	8.92	-68.67
C=CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005609679	0	47	0.0	-59.00	368.14	9.56	-49.44
C=CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005609679	1	47	0.0	-58.76	356.73	9.32	-49.44
C=CCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005609680	1	38	0.0	-78.28	325.25	6.28	-72.00
C=CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005609687	0	47	0.0	-80.21	368.31	9.67	-70.54
C=CCC(NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300005609697	0	57	0.0	-71.47	439.60	12.36	-59.11
C=CCC(NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300005609697	1	57	0.0	-65.85	438.88	12.37	-53.48
C=CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005609702	1	45	0.0	-70.74	355.88	8.24	-62.50
C=CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005609702	1	45	0.0	-72.98	356.53	8.25	-64.73
C=CCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300005609706	0	54	0.0	-64.72	413.89	11.17	-53.55
C=CCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300005609706	1	54	0.0	-61.82	406.47	10.95	-50.87
C=CCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005609714	0	53	0.0	-55.81	402.32	10.75	-45.06
C=CCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300005609735	0	47	0.0	-64.36	377.59	5.01	-59.35
C=CCC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300005609735	1	47	0.0	-64.32	377.09	4.99	-59.33
C=CCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005609744	0	52	0.0	-72.14	404.04	8.47	-63.67
C=CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300005609745	1	46	0.0	-53.91	362.59	7.77	-46.14
C=CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300005609745	1	46	0.0	-56.30	363.34	7.75	-48.55
C=CCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300005609764	0	51	0.0	-69.32	385.76	6.35	-62.97
C=CCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300005609764	1	51	0.0	-67.04	382.07	6.13	-60.91
C=CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300005609768	0	52	0.0	-67.04	403.11	8.37	-58.67
C=CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005609769	0	49	0.0	-66.79	381.71	7.70	-59.09
C=CCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005609772	0	46	0.0	-66.87	364.97	7.80	-59.07
C=CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005609772	1	46	0.0	-68.79	365.68	7.68	-61.11
C=CCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005609775	1	44	0.0	-57.44	343.94	8.92	-48.52
C=CCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005609775	1	44	0.0	-57.47	344.92	8.92	-48.55
C=CCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609798	0	47	0.0	-71.82	372.08	9.50	-62.32
C=CCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609798	1	47	0.0	-72.39	375.20	9.58	-62.81
C=CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005609812	0	47	0.0	-65.48	370.19	9.84	-55.64
C=CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300005609812	1	47	0.0	-68.35	376.98	9.65	-58.70
C=CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300005609813	1	43	0.0	-57.82	343.49	6.89	-50.93
C=CCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300005609813	1	43	0.0	-56.08	343.13	6.71	-49.37
C=CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300005609815	0	48	0.0	-67.43	380.27	7.07	-60.36
C=CCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300005609834	1	47	0.0	-78.77	367.00	7.83	-70.94
C=CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300005609847	0	52	0.0	-74.75	399.53	8.25	-66.50
C=CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300005609847	1	52	0.0	-70.43	404.18	8.34	-62.09
C=CCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005609849	0	53	0.0	-71.60	398.80	8.11	-63.49
C=CCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005609849	1	53	0.0	-59.68	391.84	7.63	-52.05
C=CCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005609850	0	47	0.0	-81.70	365.91	6.77	-74.93
C=CCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005609850	1	47	0.0	-74.41	373.71	7.17	-67.24
C=CCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300005609853	0	49	0.0	-74.23	385.74	7.28	-66.95
C=CCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300005609854	0	49	0.0	-78.30	385.63	7.06	-71.24
C=CCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300005609854	1	49	0.0	-80.89	385.14	7.16	-73.73
C=CCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300005609855	0	50	0.0	-78.53	388.24	8.73	-69.80
C=CCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300005609889	0	51	0.0	-83.74	400.30	7.02	-76.72
C=CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609891	0	47	0.0	-63.03	370.61	9.58	-53.45
C=CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609891	1	47	0.0	-65.07	370.77	9.52	-55.55
C=CCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609934	0	45	0.0	-62.50	363.33	5.84	-56.66
C=CCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005609934	1	45	0.0	-63.50	362.79	5.88	-57.62
C=CCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300005609937	0	43	0.0	-53.59	354.23	8.22	-45.37
C=CCC(NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300005609939	0	49	0.0	-60.45	390.14	9.60	-50.85
C=CCC(NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300005609962	1	50	0.0	-51.46	369.39	7.42	-44.04
C=CCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005609980	1	45	0.0	-80.58	361.85	8.31	-72.27
C=CCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005609980	1	45	0.0	-80.34	362.61	8.31	-72.03
C=CCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300005610020	1	46	0.0	-69.99	363.50	7.48	-62.51
C=CCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300005610023	0	52	0.0	-80.68	395.87	8.20	-72.48
C=CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005610051	0	47	0.0	-74.11	374.46	9.31	-64.80
C=CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005610051	1	47	0.0	-65.34	365.71	9.19	-56.15
C=CCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005610064	0	48	0.0	-81.37	391.95	8.85	-72.52
C=CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005610076	0	44	0.0	-74.24	353.98	7.97	-66.27
C=CCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300005610094	0	46	0.0	-61.11	363.46	7.58	-53.53
C=CCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300005610094	1	46	0.0	-52.61	362.08	7.70	-44.91
C=CCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005610238	0	48	0.0	-63.46	378.61	9.82	-53.64
C=CCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005610238	1	48	0.0	-75.04	378.49	9.89	-65.15
C=CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005610264	1	47	0.0	-56.22	373.92	9.59	-46.63
C=CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005610264	1	47	0.0	-52.70	364.50	9.42	-43.28
C=CCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005610580	0	44	0.0	-80.54	356.84	7.67	-72.87
C=CCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005610624	0	50	0.0	-64.90	388.61	10.31	-54.59
C=CCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005610626	1	48	0.0	-82.94	374.98	8.06	-74.88
C=CCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300005610626	1	48	0.0	-82.76	375.30	8.00	-74.76
C=CCC(NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300005610664	0	56	0.0	-75.27	425.39	10.86	-64.41
C=CCC(NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300005610664	1	56	0.0	-75.27	425.39	10.86	-64.41
O=C([O-])C(CC1CCCCO1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005611905	0	57	0.0	-73.56	429.53	10.90	-62.66
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005612595	0	54	0.0	-62.40	408.39	9.16	-53.24
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005612595	1	54	0.0	-62.48	408.35	9.17	-53.31
O=C([O-])C(CC1CCCCO1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005613517	0	51	0.0	-70.78	379.24	7.96	-62.82
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300005613546	0	48	0.0	-66.53	359.88	6.90	-59.63
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300005613546	1	48	0.0	-52.10	349.58	7.28	-44.82
CC1=[NH+]C=C2CCC(C(=O)NC(CC3CCCCO3)C(=O)[O-])CN21	REAL300005613552	1	49	0.0	-64.46	377.43	7.83	-56.63
O=C([O-])C(CC1CCCCO1)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005613553	0	57	0.0	-60.72	434.12	10.28	-50.44
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3CCCCO3)C(=O)[O-])CC2)=CS1	REAL300005613631	1	56	0.0	-77.47	438.33	8.09	-69.38
CC(C(=O)NC(CC1CCCCO1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005613632	1	52	0.0	-69.71	381.92	5.46	-64.25
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300005613718	0	60	0.0	-78.29	462.48	10.43	-67.86
CC1(C(=O)NC(CC2CCCCO2)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300005613730	0	60	0.0	-70.66	444.19	10.76	-59.90
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005613788	0	42	0.0	-73.04	340.80	8.58	-64.46
C[NH+](C)CC1(C(=O)NC(CC2CCCCO2)C(=O)[O-])CCCCC1	REAL300005613821	0	56	0.0	-79.02	393.01	8.28	-70.74
C[N@H+](CCC(=O)NC(CC1CCCCO1)C(=O)[O-])C1CCCCC1	REAL300005613826	0	56	0.0	-70.01	409.04	8.63	-61.38
C[N@@H+](CCC(=O)NC(CC1CCCCO1)C(=O)[O-])C1CCCCC1	REAL300005613826	1	56	0.0	-64.84	407.07	9.19	-55.65
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005613845	1	57	0.0	-55.36	422.69	10.60	-44.76
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005613845	1	57	0.0	-58.52	435.43	10.33	-48.19
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005613846	1	54	0.0	-68.12	422.09	9.83	-58.29
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005613846	1	54	0.0	-55.85	411.98	9.24	-46.61
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005613901	0	50	0.0	-77.93	397.91	8.24	-69.69
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005613925	0	57	0.0	-61.84	404.54	9.01	-52.83
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005613925	1	57	0.0	-61.38	403.30	8.98	-52.40
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005613926	0	58	0.0	-76.98	420.13	7.93	-69.05
CC1=[NH+]C=CN1CCCC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005613956	1	48	0.0	-65.54	379.39	8.57	-56.97
O=C(CCCC[NH+]1CCOCC1)NC(CC1CCCCO1)C(=O)[O-]	REAL300005613957	1	54	0.0	-76.96	408.07	6.69	-70.27
CC[N@H+](CC1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1)C(C)C	REAL300005613959	0	59	0.0	-79.06	435.40	10.71	-68.35
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1)C(C)C	REAL300005613959	1	59	0.0	-78.96	426.16	10.29	-68.67
O=C([O-])C(CC1CCCCO1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005613994	0	54	0.0	-64.50	411.53	10.05	-54.45
O=C([O-])C(CC1CCCCO1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005613994	1	54	0.0	-65.22	413.17	10.18	-55.04
O=C([O-])C(CC1CCCCO1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005613995	0	55	0.0	-73.90	412.48	9.50	-64.40
C[NH+]1CCN(C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300005614023	1	59	0.0	-64.21	435.04	8.63	-55.58
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614024	0	58	0.0	-70.47	402.73	6.77	-63.70
CCC(C(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+](CC)CC	REAL300005614028	0	52	0.0	-59.01	373.23	7.06	-51.95
CC(C(=O)NC(CC1CCCCO1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005614030	0	53	0.0	-60.58	404.89	9.09	-51.49
CC(C(=O)NC(CC1CCCCO1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005614030	1	53	0.0	-59.31	403.19	9.66	-49.65
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005614040	0	60	0.0	-71.93	454.03	11.18	-60.75
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005614040	1	60	0.0	-59.94	445.82	11.93	-48.01
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300005614064	0	49	0.0	-77.88	382.38	7.68	-70.20
CCC[NH+](CCC)CCCC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614073	0	58	0.0	-71.95	433.19	9.27	-62.68
O=C([O-])C(CC1CCCCO1)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005614074	1	58	0.0	-57.02	436.41	7.62	-49.40
CC[N@H+](C)C(C(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CC=C1	REAL300005614075	0	53	0.0	-49.53	395.73	9.61	-39.92
CC[N@@H+](C)C(C(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CC=C1	REAL300005614075	1	53	0.0	-48.39	395.91	9.63	-38.76
C[N@@H+]1CCOC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005614077	1	45	0.0	-55.14	340.64	5.41	-49.73
C[N@H+]1CCOC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005614077	1	45	0.0	-50.66	338.94	5.89	-44.77
CC[NH+](CC)C(C(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CC=C1	REAL300005614080	0	56	0.0	-59.26	405.96	10.01	-49.25
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614088	1	48	0.0	-55.22	374.16	8.42	-46.80
C[NH+](C)C(C(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005614092	1	50	0.0	-64.83	401.78	9.13	-55.70
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005614105	0	54	0.0	-82.20	411.62	10.26	-71.94
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005614112	0	57	0.0	-77.82	430.35	10.39	-67.43
CCN1CCC([NH+]2CCC(C(=O)NC(CC3CCCCO3)C(=O)[O-])CC2)CC1	REAL300005614118	0	65	0.0	-76.62	460.42	7.64	-68.98
C[NH+](C)CCCCC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614130	0	49	0.0	-76.51	376.00	7.20	-69.31
CC(C)C(C(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+](C)C	REAL300005614138	0	49	0.0	-63.60	354.05	6.73	-56.87
O=C([O-])C(CC1CCCCO1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005614140	1	58	0.0	-75.59	435.39	10.14	-65.45
O=C([O-])C(CC1CCCCO1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005614140	1	58	0.0	-78.34	444.72	9.64	-68.70
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005614152	0	57	0.0	-51.98	416.56	10.61	-41.37
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005614152	1	57	0.0	-51.99	416.25	10.59	-41.40
CC1=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005614154	1	48	0.0	-78.29	382.59	7.51	-70.78
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005614162	0	57	0.0	-82.27	428.36	10.97	-71.30
O=C([O-])C(CC1CCCCO1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005614175	1	50	0.0	-79.22	394.04	7.14	-72.08
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300005614176	0	53	0.0	-84.63	409.32	9.95	-74.68
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614188	1	46	0.0	-56.66	357.96	6.70	-49.96
O=C([O-])C(CC1CCCCO1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005614189	1	55	0.0	-55.57	415.63	9.48	-46.09
O=C([O-])C(CC1CCCCO1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005614189	1	55	0.0	-76.11	422.80	9.63	-66.48
C[N@H+](CC(=O)NC(CC1CCCCO1)C(=O)[O-])CC(C)(C)C	REAL300005614252	0	52	0.0	-56.55	376.50	8.03	-48.52
C[N@@H+](CC(=O)NC(CC1CCCCO1)C(=O)[O-])CC(C)(C)C	REAL300005614252	1	52	0.0	-61.28	379.42	7.60	-53.68
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614254	0	53	0.0	-65.26	409.77	9.49	-55.77
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614254	1	53	0.0	-65.36	409.76	9.49	-55.87
COCCOCC[N@H+](C)CCC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614255	0	57	0.0	-63.91	436.83	6.23	-57.68
COCCOCC[N@@H+](C)CCC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614255	1	57	0.0	-69.79	438.81	5.66	-64.13
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005614259	0	51	0.0	-70.84	378.07	5.50	-65.34
C[N@H+]1CCCC(O)(CC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005614259	1	51	0.0	-57.00	378.98	5.98	-51.02
CCCCCC[N@H+](C)CC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614279	0	55	0.0	-62.42	413.51	8.85	-53.57
CCCCCC[N@@H+](C)CC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614279	1	55	0.0	-57.89	412.39	9.36	-48.53
O=C([O-])C(CC1CCCCO1)NC(=O)C12CCC[NH+]1CCC2	REAL300005614289	0	48	0.0	-58.08	347.14	7.63	-50.45
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005614297	1	42	0.0	-79.79	340.25	8.62	-71.17
C[N@H+](CC(=O)NC(CC1CCCCO1)C(=O)[O-])C1CCSC1	REAL300005614315	0	48	0.0	-60.03	368.01	7.86	-52.17
C[N@@H+](CC(=O)NC(CC1CCCCO1)C(=O)[O-])C1CCSC1	REAL300005614315	1	48	0.0	-59.00	367.76	7.90	-51.10
CC(C)[NH+]1CCN(CCC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005614330	0	58	0.0	-68.96	418.90	6.40	-62.56
CC(C)N1CC[NH+](CCC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005614330	1	58	0.0	-68.96	422.29	6.03	-62.93
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005614331	0	61	0.0	-74.22	447.48	7.02	-67.20
CC(C)N1CC[NH+](CCCC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005614331	1	61	0.0	-71.46	442.96	6.86	-64.60
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005614332	0	51	0.0	-56.99	374.80	7.97	-49.02
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300005614332	1	51	0.0	-56.85	374.36	7.93	-48.92
C[NH+](C)CCN1C=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300005614334	0	50	0.0	-79.54	392.73	7.16	-72.38
O=C([O-])C(CC1CCCCO1)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005614343	0	59	0.0	-66.37	441.22	9.01	-57.36
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005614346	0	56	0.0	-70.73	420.42	8.69	-62.04
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005614346	1	56	0.0	-72.38	426.58	8.39	-63.99
CC(C(=O)NC(CC1CCCCO1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005614351	1	54	0.0	-57.11	403.68	10.18	-46.93
CC(C(=O)NC(CC1CCCCO1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005614351	1	54	0.0	-57.81	403.33	10.19	-47.62
CCCC(C(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+](C)C	REAL300005614374	0	49	0.0	-55.99	363.80	7.55	-48.44
O=C([O-])C(CC1CCCCO1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005614376	0	57	0.0	-76.43	432.97	10.22	-66.21
O=C([O-])C(CC1CCCCO1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005614376	1	57	0.0	-71.86	434.12	10.87	-60.99
C[NH+](C)CCN1C=CC(C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300005614391	0	50	0.0	-88.37	394.49	6.60	-81.77
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614392	0	50	0.0	-65.78	376.69	7.70	-58.08
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614398	1	51	0.0	-59.59	394.38	8.89	-50.70
CC[C@@H]1[C@@H](C(=O)NC(CC2CCCCO2)C(=O)[O-])CC[N@@H+]1C	REAL300005614401	0	50	0.0	-65.73	365.62	7.29	-58.44
CC[C@@H]1[C@@H](C(=O)NC(CC2CCCCO2)C(=O)[O-])CC[N@H+]1C	REAL300005614401	1	50	0.0	-63.96	370.63	7.70	-56.26
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614405	1	46	0.0	-56.90	355.33	7.37	-49.53
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614405	1	46	0.0	-56.19	360.79	7.97	-48.22
CC1C[N@H+](C)CC(C(=O)NC(CC2CCCCO2)C(=O)[O-])O1	REAL300005614413	1	48	0.0	-56.51	362.10	6.08	-50.43
CC1C[N@@H+](C)CC(C(=O)NC(CC2CCCCO2)C(=O)[O-])O1	REAL300005614413	1	48	0.0	-76.34	361.85	6.15	-70.19
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005614419	0	57	0.0	-71.04	437.36	10.34	-60.70
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005614419	1	57	0.0	-72.09	437.88	10.38	-61.71
CC(C[NH+]1CCOCC1)C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614425	0	51	0.0	-65.44	379.97	6.33	-59.11
O=C([O-])C(CC1CCCCO1)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005614426	0	58	0.0	-66.80	438.98	8.42	-58.38
CC1CC[NH+](CC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005614436	0	50	0.0	-57.02	371.62	8.12	-48.90
CC[N@@H+]1CCOC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005614451	1	48	0.0	-49.46	356.46	6.61	-42.85
CC[N@H+]1CCOC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005614451	1	48	0.0	-66.61	363.57	6.77	-59.84
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005614490	1	57	0.0	-78.26	425.97	9.10	-69.16
O=C([O-])C(CC1CCCCO1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005614491	0	57	0.0	-69.22	416.38	9.05	-60.17
O=C([O-])C(CC1CCCCO1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005614491	1	57	0.0	-66.78	415.73	9.06	-57.72
C[N@@H+]1CCCC1CCC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614498	0	50	0.0	-69.74	375.81	8.17	-61.57
C[N@H+]1CCCC1CCC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614498	1	50	0.0	-69.51	372.34	7.14	-62.37
O=C([O-])C(CC1CCCCO1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300005614510	0	51	0.0	-69.31	366.05	7.81	-61.50
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614514	1	48	0.0	-74.90	358.75	3.22	-71.68
C[N@H+]1CC(O)CC1(C)C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614514	1	48	0.0	-72.25	356.79	3.24	-69.01
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005614515	0	51	0.0	-62.82	371.52	7.61	-55.21
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300005614515	1	51	0.0	-54.64	376.43	8.53	-46.11
CC(C)(C[NH+]1CCOCC1)C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614523	0	54	0.0	-60.52	391.45	6.15	-54.37
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300005614528	0	57	0.0	-70.61	426.16	7.63	-62.98
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300005614528	1	57	0.0	-79.82	427.01	7.43	-72.39
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC3CCCCO3)C(=O)[O-])=C2)CC1	REAL300005614532	0	59	0.0	-78.23	446.63	8.01	-70.22
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC3CCCCO3)C(=O)[O-])C=C2)CC1	REAL300005614533	0	59	0.0	-82.66	446.52	7.79	-74.87
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC3CCCCO3)C(=O)[O-])C=C2)CC1	REAL300005614533	1	59	0.0	-82.43	444.65	8.47	-73.96
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300005614534	0	60	0.0	-78.24	447.75	10.04	-68.20
CC(C)[NH+]1CCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005614542	0	53	0.0	-70.42	383.91	8.21	-62.21
O=C([O-])C(CC1CCCCO1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300005614629	0	48	0.0	-73.93	352.06	6.35	-67.58
O=C([O-])C(CC1CCCCO1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300005614629	1	48	0.0	-69.97	350.38	6.84	-63.13
CC1CCC(C)[NH+]1CC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614682	0	50	0.0	-53.36	365.55	7.69	-45.67
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300005614683	0	50	0.0	-76.27	386.81	9.09	-67.18
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005614684	0	57	0.0	-67.56	431.78	10.24	-57.32
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005614684	1	57	0.0	-68.09	431.46	10.31	-57.78
C#CC[NH+]1CCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005614755	0	49	0.0	-76.26	379.92	7.87	-68.39
CCC[N@@H+]1CCCCC1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614757	0	53	0.0	-57.86	391.91	8.04	-49.82
CCC[N@H+]1CCCCC1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614757	1	53	0.0	-56.48	391.08	8.09	-48.39
C[NH+](C)CC1=CC=CC=C1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614758	0	50	0.0	-47.18	379.27	9.38	-37.80
CC[NH+]1CCN(CCC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005614760	0	55	0.0	-70.06	405.86	6.17	-63.89
CCN1CC[NH+](CCC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005614760	1	55	0.0	-68.98	409.24	5.70	-63.28
CC(C)C(C(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+]1CCCCC1	REAL300005614762	0	56	0.0	-49.63	396.97	9.14	-40.49
C[NH+](C)C(C(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CC=C1	REAL300005614763	1	50	0.0	-56.24	385.36	8.54	-47.70
O=C([O-])C(CC1CCCCO1)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005614767	0	55	0.0	-61.87	422.43	7.08	-54.79
O=C([O-])C(CC1CCCCO1)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005614767	1	55	0.0	-59.09	422.16	7.14	-51.95
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614773	1	51	0.0	-58.78	393.83	8.83	-49.95
C[NH+](C)CC1=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])OC2=CC=CC=C21	REAL300005614774	0	53	0.0	-61.63	409.87	8.89	-52.74
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005614779	0	54	0.0	-61.19	393.23	8.67	-52.52
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300005614779	1	54	0.0	-59.39	379.78	8.69	-50.70
CC(C)C(C(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005614809	1	60	0.0	-61.04	432.52	8.21	-52.83
CC(C(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+]1CCCCCC1	REAL300005614810	0	53	0.0	-61.00	381.72	7.83	-53.17
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCCCO3)C(=O)[O-])=CC=C1N2	REAL300005614848	1	55	0.0	-85.08	423.33	9.06	-76.02
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCCCO3)C(=O)[O-])=CC=C1N2	REAL300005614848	1	55	0.0	-85.03	423.60	9.00	-76.03
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])O1	REAL300005614901	0	53	0.0	-78.56	406.48	7.97	-70.59
O=C(CCCC[NH+]1CCCC1)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614902	0	53	0.0	-74.00	401.13	8.41	-65.59
CC1=CC=C(N2CCC(C(=O)NC(CC3CCCCO3)C(=O)[O-])CC2)[NH+]=C1	REAL300005614904	1	56	0.0	-74.80	424.65	8.13	-66.67
C[N@H+](CC(=O)NC(CC1CCCCO1)C(=O)[O-])CC1=CC=CC=C1	REAL300005614905	1	50	0.0	-59.34	385.08	9.27	-50.07
C[N@@H+](CC(=O)NC(CC1CCCCO1)C(=O)[O-])CC1=CC=CC=C1	REAL300005614905	1	50	0.0	-66.01	387.29	8.65	-57.36
CC(C)[C@@H](C(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+](C)C	REAL300005614916	0	49	0.0	-64.99	354.86	6.61	-58.38
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005614929	1	45	0.0	-80.97	369.93	6.49	-74.48
C[NH+](C)CC1=CC(C(=O)NC(CC2CCCCO2)C(=O)[O-])=NO1	REAL300005614960	1	46	0.0	-80.20	367.90	6.07	-74.13
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614964	0	57	0.0	-66.13	426.89	10.50	-55.63
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614964	1	57	0.0	-66.32	426.15	10.61	-55.71
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614981	0	50	0.0	-65.42	353.34	7.26	-58.16
CC(C)[N@H+]1CCCC1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614981	1	50	0.0	-64.48	355.44	7.01	-57.47
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300005614988	0	58	0.0	-82.16	450.91	10.14	-72.02
C[NH+]1CCC(OCC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005615008	0	51	0.0	-76.62	388.37	7.77	-68.85
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005615013	0	54	0.0	-79.75	416.78	8.75	-71.00
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC2CCCCO2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005615058	0	56	0.0	-76.68	424.60	8.27	-68.41
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC2CCCCO2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005615058	1	56	0.0	-57.05	423.51	8.34	-48.71
CCC[N@@H+]1CCCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005615208	0	53	0.0	-65.06	392.40	8.63	-56.43
CCC[N@H+]1CCCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005615208	1	53	0.0	-56.85	385.92	8.90	-47.95
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005615241	0	53	0.0	-55.03	393.23	8.85	-46.18
CC(C)C[N@H+]1CCCC1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005615241	1	53	0.0	-59.31	382.38	7.99	-51.32
O=C([O-])C(CC1CCCCO1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300005615242	1	51	0.0	-57.28	382.45	4.80	-52.48
O=C([O-])C(CC1CCCCO1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005615345	0	58	0.0	-76.59	437.10	11.13	-65.46
O=C([O-])C(CC1CCCCO1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005615345	1	58	0.0	-81.41	439.35	10.60	-70.81
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005615387	1	57	0.0	-58.42	426.24	10.10	-48.32
O=C([O-])C(CC1CCCCO1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005615387	1	57	0.0	-56.85	433.71	10.83	-46.02
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005615480	0	53	0.0	-60.96	383.04	8.12	-52.84
CC(C)[N@H+]1CCCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005615480	1	53	0.0	-57.36	381.31	8.60	-48.76
C[N@@H+]1CC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005615481	0	47	0.0	-71.20	361.88	6.73	-64.47
C[N@H+]1CC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005615481	1	47	0.0	-57.61	366.12	7.12	-50.49
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2CCCCO2)C(=O)[O-])N1	REAL300005615505	1	48	0.0	-63.54	380.02	6.37	-57.17
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300005616003	0	53	0.0	-78.87	409.30	9.93	-68.94
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300005616011	0	54	0.0	-80.81	416.61	8.89	-71.92
O=C([O-])C(CC1CCCCO1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005616111	0	60	0.0	-68.75	448.37	11.55	-57.20
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3CCCCO3)C(=O)[O-])C=C2)CCO1	REAL300005616113	1	58	0.0	-83.64	433.93	9.33	-74.31
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3CCCCO3)C(=O)[O-])C=C2)CCO1	REAL300005616113	1	58	0.0	-87.23	436.15	8.71	-78.52
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300005616159	0	53	0.0	-59.68	382.92	7.74	-51.94
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005616227	0	56	0.0	-61.35	404.72	9.01	-52.34
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005616227	1	56	0.0	-61.35	404.72	9.01	-52.34
CC[N@@H+]1CCCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005616228	0	50	0.0	-53.30	363.70	8.13	-45.17
CC[N@H+]1CCCC(C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005616228	1	50	0.0	-53.30	363.70	8.13	-45.17
CN(C)CC1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])O1	REAL300005616234	0	47	0.0	-80.35	374.12	6.78	-73.57
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])O1	REAL300005616234	1	47	0.0	-80.35	374.12	6.78	-73.57
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005616239	0	56	0.0	-76.10	391.01	8.29	-67.81
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300005616239	1	56	0.0	-76.10	391.01	8.29	-67.81
O=C([O-])C(CC1CCCCO1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005616242	0	49	0.0	-63.65	365.55	7.27	-56.38
CN(CC1=CC2=CC=NC=C2C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005616453	0	48	0.0	-52.33	375.19	9.99	-42.34
CN(CC1=CC2=CC=NC=C2C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005616453	1	48	0.0	-52.33	375.19	9.99	-42.34
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005617559	0	57	0.0	-50.52	401.69	12.31	-38.21
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CC[NH+](C2CC2)CC1	REAL300005618882	0	51	0.0	-48.19	354.75	10.22	-37.97
CC1=[NH+]C=C2CCC(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)CN12	REAL300005618909	1	49	0.0	-72.80	340.21	10.05	-62.75
CC1=NC(C[NH+]2CCC(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)CC2)=CS1	REAL300005618972	1	56	0.0	-52.59	424.10	10.56	-42.03
CC(C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)N1CC[NH+](C)CC1	REAL300005618973	1	52	0.0	-56.63	348.46	6.72	-49.91
C[NH+](C)CCOC1=CC=C(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1	REAL300005619045	0	60	0.0	-69.94	449.41	12.49	-57.45
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005619102	0	42	0.0	-44.73	310.15	9.90	-34.83
C[NH+](C)CC1(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CCCCC1	REAL300005619130	0	56	0.0	-40.29	344.24	9.59	-30.70
C[N@H+](CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CCCCC1	REAL300005619134	0	56	0.0	-38.92	379.53	10.86	-28.06
C[N@@H+](CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CCCCC1	REAL300005619134	1	56	0.0	-40.33	379.52	10.86	-29.47
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005619195	0	50	0.0	-60.92	363.63	9.39	-51.53
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005619210	0	58	0.0	-77.60	378.61	9.45	-68.15
CC1=[NH+]C=CN1CCCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619237	1	48	0.0	-47.95	352.59	10.15	-37.80
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCC[NH+]1CCOCC1	REAL300005619238	1	54	0.0	-53.86	379.39	8.87	-44.99
CC[N@H+](CC1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1)C(C)C	REAL300005619239	0	59	0.0	-57.04	398.73	11.71	-45.33
CC[N@@H+](CC1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1)C(C)C	REAL300005619239	1	59	0.0	-57.27	397.44	11.55	-45.72
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005619258	0	54	0.0	-74.44	395.45	12.08	-62.36
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005619258	1	54	0.0	-77.08	379.31	11.97	-65.11
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005619259	0	55	0.0	-91.48	378.14	11.22	-80.26
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005619287	0	58	0.0	-39.87	372.42	8.97	-30.90
CCC(C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[NH+](CC)CC	REAL300005619291	0	52	0.0	-59.94	335.32	9.48	-50.46
CC(C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@H+](C)CC1=CC=CC=C1	REAL300005619293	0	53	0.0	-31.48	372.26	11.16	-20.32
CC(C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@@H+](C)CC1=CC=CC=C1	REAL300005619293	1	53	0.0	-29.28	372.42	11.10	-18.18
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005619301	0	60	0.0	-69.24	410.81	13.53	-55.71
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005619301	1	60	0.0	-78.26	416.23	13.18	-65.08
C[NH+](C)CC1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=N1	REAL300005619315	0	49	0.0	-58.39	353.74	8.74	-49.65
CCC[NH+](CCC)CCCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619322	0	58	0.0	-47.01	399.21	11.19	-35.82
CC(C)C1=[NH+]C=CN1CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619330	1	48	0.0	-37.69	346.86	9.97	-27.72
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005619344	0	54	0.0	-58.35	382.90	11.42	-46.93
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005619349	0	57	0.0	-58.42	399.88	12.17	-46.25
CCN1CCC([NH+]2CCC(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)CC2)CC1	REAL300005619354	0	65	0.0	-48.78	435.76	10.08	-38.70
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005619373	1	58	0.0	-46.94	407.59	11.65	-35.29
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005619373	1	58	0.0	-54.30	415.58	11.75	-42.55
CC1=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=NN1C1=CC=[NH+]C=C1	REAL300005619388	1	48	0.0	-71.05	350.50	8.62	-62.43
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005619391	0	57	0.0	-58.11	399.69	12.13	-45.98
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005619402	1	50	0.0	-68.95	376.46	10.19	-58.76
C[NH+](C)CCC1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1	REAL300005619403	0	53	0.0	-67.32	375.68	11.08	-56.24
CNC1=[NH+]C(C)=CC=C1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619409	1	46	0.0	-33.44	331.22	7.63	-25.81
CC(C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005619419	0	63	0.0	-35.13	438.14	13.69	-21.44
CC(C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[NH+]1CCSCC1	REAL300005619453	1	48	0.0	-33.67	337.99	9.18	-24.49
C[N@H+](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC(C)(C)C	REAL300005619459	0	52	0.0	-37.41	361.12	10.16	-27.25
C[N@@H+](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC(C)(C)C	REAL300005619459	1	52	0.0	-35.69	365.15	10.26	-25.43
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619461	0	53	0.0	-40.98	394.51	12.15	-28.83
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619461	1	53	0.0	-37.40	379.89	11.69	-25.71
COCCOCC[N@H+](C)CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619462	0	57	0.0	-41.21	409.25	7.89	-33.32
COCCOCC[N@@H+](C)CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619462	1	57	0.0	-44.94	409.29	7.89	-37.05
C[N@@H+]1CCCC(O)(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005619465	0	51	0.0	-47.94	348.58	7.61	-40.33
C[N@H+]1CCCC(O)(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005619465	1	51	0.0	-49.55	351.71	7.53	-42.02
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005619475	0	62	0.0	-50.69	435.41	11.41	-39.28
CCCCCC[N@H+](C)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619477	0	55	0.0	-34.64	384.48	11.01	-23.63
CCCCCC[N@@H+](C)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619477	1	55	0.0	-38.36	399.10	11.47	-26.89
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005619491	1	42	0.0	-49.66	313.76	10.44	-39.22
C[N@H+](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CCSC1	REAL300005619506	0	48	0.0	-44.21	354.83	9.95	-34.26
C[N@@H+](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CCSC1	REAL300005619506	1	48	0.0	-34.06	340.43	9.46	-24.60
CC(C)[NH+]1CCN(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005619519	0	58	0.0	-48.54	395.29	8.27	-40.27
CC(C)N1CC[NH+](CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005619519	1	58	0.0	-39.32	393.23	8.26	-31.06
CC(C)[NH+]1CCN(CCCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005619520	0	61	0.0	-55.54	414.00	9.01	-46.53
CC(C)N1CC[NH+](CCCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005619520	1	61	0.0	-47.07	414.46	9.04	-38.03
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCCC2CCC[N@@H+]21	REAL300005619521	0	51	0.0	-32.90	332.72	9.24	-23.66
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCCC2CCC[N@H+]21	REAL300005619521	1	51	0.0	-32.28	345.21	9.91	-22.37
C[NH+](C)CCN1C=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=N1	REAL300005619523	0	50	0.0	-71.72	373.97	8.78	-62.94
CC1=CC=CC(N2CC[NH+](CCC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)CC2)=C1	REAL300005619526	0	62	0.0	-42.53	435.35	11.27	-31.26
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005619528	0	59	0.0	-42.45	413.91	10.60	-31.85
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005619530	0	56	0.0	-71.33	383.75	10.80	-60.53
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005619530	1	56	0.0	-44.12	402.71	11.32	-32.80
CC(C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005619535	1	54	0.0	-29.05	375.59	11.49	-17.56
CC(C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@H+]1CCC2=CC=CC=C2C1	REAL300005619535	1	54	0.0	-33.76	376.15	11.59	-22.17
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005619555	0	57	0.0	-47.63	407.15	12.49	-35.14
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005619555	1	57	0.0	-48.19	406.51	12.49	-35.70
C[NH+](C)CCN1C=CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300005619569	0	50	0.0	-63.65	362.57	9.11	-54.54
C[NH+](C)CCN1N=CC=C1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619570	0	50	0.0	-56.88	353.49	8.27	-48.61
CCC1=[NH+]C=CN1C(C)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619571	1	51	0.0	-41.52	367.03	10.47	-31.05
CC[C@@H]1[C@@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC[N@@H+]1C	REAL300005619574	0	50	0.0	-80.20	329.39	8.88	-71.32
CC[C@@H]1[C@@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC[N@H+]1C	REAL300005619574	1	50	0.0	-78.94	333.71	9.66	-69.28
C[N@@H+]1CCCC1C1=CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=NN1	REAL300005619577	1	51	0.0	-63.79	372.70	8.75	-55.04
C[N@H+]1CCCC1C1=CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=NN1	REAL300005619577	1	51	0.0	-64.42	358.57	8.32	-56.10
CC1C[N@H+](C)CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)O1	REAL300005619584	1	48	0.0	-94.55	323.75	8.30	-86.25
CC1C[N@@H+](C)CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)O1	REAL300005619584	1	48	0.0	-47.35	327.57	8.08	-39.27
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005619588	0	57	0.0	-67.42	394.40	12.55	-54.87
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005619588	1	57	0.0	-44.40	414.19	13.15	-31.25
CC(C[NH+]1CCOCC1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619593	1	51	0.0	-46.87	358.23	8.14	-38.73
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005619594	0	58	0.0	-42.68	411.12	9.97	-32.71
CC1CC[NH+](CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005619604	0	50	0.0	-32.71	343.73	9.72	-22.99
CC[N@@H+]1CCOC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005619617	1	48	0.0	-81.72	320.93	8.00	-73.72
CC[N@H+]1CCOC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005619617	1	48	0.0	-51.00	324.31	7.86	-43.14
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005619649	0	57	0.0	-77.91	379.46	11.47	-66.44
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005619649	1	57	0.0	-77.54	378.42	11.33	-66.21
C[N@@H+]1CCCC1CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619655	0	50	0.0	-55.04	353.20	9.74	-45.30
C[N@H+]1CCCC1CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619655	1	50	0.0	-45.41	344.91	9.62	-35.79
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC2CCCC[N@@H+]21	REAL300005619667	0	51	0.0	-64.54	342.01	10.41	-54.13
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC2CCCC[N@H+]21	REAL300005619667	1	51	0.0	-32.77	337.52	9.50	-23.27
C[NH+]1CCN(CC2=CC=CC(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)=C2)CC1	REAL300005619681	0	59	0.0	-73.80	432.61	10.28	-63.52
C[NH+]1CCN(CC2=CC=C(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C=C2)CC1	REAL300005619682	0	59	0.0	-68.10	411.24	9.67	-58.43
CN1CC[NH+](CC2=CC=C(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C=C2)CC1	REAL300005619682	1	59	0.0	-57.83	415.89	9.59	-48.24
CC[NH+](CC)CCOC1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1	REAL300005619683	0	60	0.0	-60.88	417.43	11.36	-49.52
CC(C)[NH+]1CCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005619691	0	53	0.0	-49.11	356.17	9.74	-39.37
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C12CC[N@H+](C1)CCC2	REAL300005619764	0	48	0.0	-80.55	299.62	8.03	-72.52
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C12CC[N@@H+](C1)CCC2	REAL300005619764	1	48	0.0	-41.91	305.99	7.84	-34.07
CC1CCC(C)[NH+]1CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619804	0	50	0.0	-32.56	338.41	9.10	-23.46
C[NH+](C)CC1=CC=CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=C1	REAL300005619805	0	50	0.0	-58.78	358.33	10.33	-48.45
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005619806	0	57	0.0	-38.90	402.84	12.36	-26.54
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005619806	1	57	0.0	-43.90	391.71	12.42	-31.48
C#CC[NH+]1CCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005619857	0	49	0.0	-50.15	350.17	9.95	-40.20
CC[NH+]1CCN(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005619859	0	55	0.0	-51.08	378.96	7.74	-43.34
CCN1CC[NH+](CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005619859	1	55	0.0	-39.39	379.66	7.91	-31.48
CC(C)C1=[NH+]C=CN1CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005619866	1	51	0.0	-39.47	365.15	10.37	-29.10
CC(C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[NH+]1CCCCCC1	REAL300005619897	0	53	0.0	-36.45	347.40	9.38	-27.07
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)=CC=C1N2	REAL300005619931	1	55	0.0	-66.81	392.83	10.70	-56.11
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)=CC=C1N2	REAL300005619931	1	55	0.0	-68.22	393.58	10.30	-57.92
CC[NH+](CC)CC1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)O1	REAL300005619974	0	53	0.0	-51.41	378.64	10.92	-40.49
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCC[NH+]1CCCC1	REAL300005619975	0	53	0.0	-52.02	371.42	10.52	-41.50
CC1=CC=C(N2CCC(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)CC2)[NH+]=C1	REAL300005619977	1	56	0.0	-57.33	408.35	10.47	-46.86
C[N@H+](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC1=CC=CC=C1	REAL300005619978	1	50	0.0	-38.59	372.02	11.31	-27.28
C[N@@H+](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC1=CC=CC=C1	REAL300005619978	1	50	0.0	-33.52	357.82	10.82	-22.70
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C=C2)CC1	REAL300005619982	0	62	0.0	-61.95	417.25	10.37	-51.58
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005619998	1	45	0.0	-67.55	334.11	8.19	-59.36
C[NH+](C)CC1=CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=NO1	REAL300005620022	1	46	0.0	-71.42	350.22	8.99	-62.43
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005620026	0	57	0.0	-88.51	397.63	12.45	-76.06
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005620026	1	57	0.0	-87.28	398.69	12.46	-74.82
CC(C)[N@@H+]1CCCC1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005620044	0	50	0.0	-34.60	333.86	9.04	-25.56
CC(C)[N@H+]1CCCC1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300005620044	1	50	0.0	-37.01	318.17	8.04	-28.97
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1	REAL300005620051	0	58	0.0	-69.52	424.02	11.68	-57.84
C[NH+]1CCC(OCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005620066	0	51	0.0	-59.79	360.35	9.25	-50.54
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005620071	0	54	0.0	-50.96	383.16	11.38	-39.58
CCC[N@@H+]1CCCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005620219	0	53	0.0	-73.22	356.48	10.13	-63.09
CCC[N@H+]1CCCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005620219	1	53	0.0	-64.11	350.49	10.31	-53.80
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[NH+]1CCC(CO)CC1	REAL300005620247	0	51	0.0	-36.06	354.59	6.41	-29.65
CC(C)[N@@H+]1CCCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005620431	0	53	0.0	-72.44	351.66	9.90	-62.54
CC(C)[N@H+]1CCCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005620431	1	53	0.0	-64.25	345.68	10.10	-54.15
C[N@@H+]1CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C(C(F)(F)F)C1	REAL300005620432	0	47	0.0	-54.84	340.94	8.76	-46.08
C[N@H+]1CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C(C(F)(F)F)C1	REAL300005620432	1	47	0.0	-45.20	333.96	8.57	-36.63
CC1=C(C)[NH+]=C(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)N1	REAL300005620454	1	48	0.0	-39.05	351.34	8.54	-30.51
C[NH+](C)CCC1=CC=CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=C1	REAL300005620851	0	53	0.0	-64.18	380.82	11.16	-53.02
C[NH+](C)CCOC1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1	REAL300005620859	0	54	0.0	-63.36	382.41	10.02	-53.34
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005620952	0	60	0.0	-55.71	420.61	13.16	-42.55
CC1C[N@H+](CC2=CC=C(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C=C2)CCO1	REAL300005620954	1	58	0.0	-55.07	412.47	10.08	-44.99
CC1C[N@@H+](CC2=CC=C(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C=C2)CCO1	REAL300005620954	1	58	0.0	-61.19	407.53	10.50	-50.69
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300005620984	0	53	0.0	-76.21	345.27	9.78	-66.43
CC1=[NH+]C=C2C=CC(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)=CN21	REAL300005620988	0	45	0.0	-55.05	351.32	10.76	-44.29
CC(C)C[N@@H+]1CCCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005621038	0	56	0.0	-74.43	373.90	11.13	-63.30
CC(C)C[N@H+]1CCCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005621038	1	56	0.0	-65.19	367.80	11.01	-54.18
CC[N@@H+]1CCCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005621039	0	50	0.0	-72.61	356.86	9.90	-62.71
CC[N@H+]1CCCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300005621039	1	50	0.0	-39.67	343.97	9.47	-30.20
C[NH+](C)CC1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)O1	REAL300005621045	1	47	0.0	-55.06	342.85	9.56	-45.50
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005621053	0	49	0.0	-23.71	333.03	9.52	-14.19
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300005621053	1	49	0.0	-30.30	327.43	9.68	-20.62
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CC(C)[C@]1(C(=O)N2CCC3CC[N@H+](CC4=CC=CC=C4)C32)C[C@H]1C(=O)[O-]	REAL300005627353	0	54	0.0	-53.37	379.12	11.23	-42.14
CC(C)[C@]1(C(=O)N2CCC3CC[N@@H+](CC4=CC=CC=C4)C32)C[C@H]1C(=O)[O-]	REAL300005627353	1	54	0.0	-51.87	396.83	11.96	-39.91
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CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300005627354	1	54	0.0	-75.84	411.40	13.19	-62.65
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CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300005627357	0	51	0.0	-54.18	375.79	11.61	-42.57
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CC(C)(C)C1CC2=CC(F)=CC=C2N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005627423	0	56	0.0	-50.67	402.68	11.98	-38.69
CC(C)(C)C1CC2=CC(F)=CC=C2N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005627423	1	56	0.0	-51.39	403.33	12.01	-39.38
CN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627458	0	42	0.0	-69.84	331.83	4.27	-65.57
CN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627458	1	42	0.0	-92.09	326.13	4.41	-87.68
CN(C(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627459	0	49	0.0	-91.33	399.34	7.00	-84.33
CN(C(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627459	1	49	0.0	-94.62	398.22	7.19	-87.43
CC(SC1=CC=CC=C1C(=O)N(C)[C@@H]1C[N@H+](C)C[C@H]1O)C(=O)[O-]	REAL300005627460	0	45	0.0	-85.53	356.69	5.72	-79.81
CC(SC1=CC=CC=C1C(=O)N(C)[C@@H]1C[N@@H+](C)C[C@H]1O)C(=O)[O-]	REAL300005627460	1	45	0.0	-87.44	355.56	5.86	-81.58
CCOC1=CC(C(=O)N(C)[C@@H]2C[N@H+](C)C[C@H]2O)=CC=C1OCC(=O)[O-]	REAL300005627461	0	49	0.0	-85.31	382.39	4.91	-80.40
CCOC1=CC(C(=O)N(C)[C@@H]2C[N@@H+](C)C[C@H]2O)=CC=C1OCC(=O)[O-]	REAL300005627461	1	49	0.0	-87.53	382.49	4.93	-82.60
CN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627462	0	44	0.0	-83.09	347.65	5.79	-77.30
CN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627462	1	44	0.0	-83.90	346.54	5.99	-77.91
CN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627463	0	42	0.0	-83.67	335.13	5.50	-78.17
CN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627463	1	42	0.0	-85.35	336.29	5.53	-79.82
CN(C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627464	0	46	0.0	-81.61	380.49	0.68	-80.93
CN(C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627464	1	46	0.0	-83.55	380.83	0.71	-82.84
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627465	0	40	0.0	-66.15	328.95	4.66	-61.49
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627465	1	40	0.0	-68.35	328.58	4.63	-63.72
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627466	0	40	0.0	-66.15	328.95	4.66	-61.49
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627466	1	40	0.0	-68.35	328.58	4.63	-63.72
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CN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627468	0	45	0.0	-80.04	355.39	5.08	-74.96
CN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627468	1	45	0.0	-82.56	355.53	5.00	-77.56
CN(C(=O)CCC1=CC=CC=C1C(=O)[O-])[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627469	0	44	0.0	-77.82	338.89	5.56	-72.26
CN(C(=O)CCC1=CC=CC=C1C(=O)[O-])[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627469	1	44	0.0	-80.38	339.52	5.58	-74.80
CC1=CC(C(=O)N(C)[C@@H]2C[N@H+](C)C[C@H]2O)=CC(C)=C1OCC(=O)[O-]	REAL300005627470	0	48	0.0	-82.36	373.05	5.76	-76.60
CC1=CC(C(=O)N(C)[C@@H]2C[N@@H+](C)C[C@H]2O)=CC(C)=C1OCC(=O)[O-]	REAL300005627470	1	48	0.0	-85.06	373.35	5.76	-79.30
CN(C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627471	0	38	0.0	-82.99	319.21	4.54	-78.45
CN(C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627471	1	38	0.0	-85.72	321.70	4.56	-81.16
CN(C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627472	0	48	0.0	-67.35	365.46	7.04	-60.31
CN(C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627472	1	48	0.0	-69.85	365.91	7.07	-62.78
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627473	0	48	0.0	-80.83	332.38	4.68	-76.15
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627473	1	48	0.0	-83.03	333.71	4.71	-78.32
CN(C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627474	0	40	0.0	-97.23	330.35	2.99	-94.24
CN(C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627474	1	40	0.0	-93.47	331.58	3.04	-90.43
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627475	0	45	0.0	-88.71	349.67	5.30	-83.41
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627475	1	45	0.0	-80.72	357.46	4.66	-76.06
CN(C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627476	0	51	0.0	-75.12	381.17	7.27	-67.85
CN(C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627476	1	51	0.0	-75.36	379.11	7.40	-67.96
CN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627477	0	42	0.0	-80.23	329.54	4.22	-76.01
CN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627477	1	42	0.0	-82.62	326.05	4.33	-78.29
CN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627478	0	47	0.0	-86.17	369.91	4.87	-81.30
CN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627478	1	47	0.0	-93.46	369.08	4.83	-88.63
CN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627479	0	42	0.0	-82.07	329.36	5.19	-76.88
CN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627479	1	42	0.0	-84.39	327.10	5.41	-78.98
CN(C(=O)C1=CC=CC=C1CCC(=O)[O-])[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627480	0	44	0.0	-75.22	340.35	5.45	-69.77
CN(C(=O)C1=CC=CC=C1CCC(=O)[O-])[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627480	1	44	0.0	-87.94	339.34	5.48	-82.46
CN(C(=O)COCC1=C(C(=O)[O-])N=CO1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627481	0	41	0.0	-87.91	334.24	0.07	-87.84
CN(C(=O)COCC1=C(C(=O)[O-])N=CO1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627481	1	41	0.0	-88.97	333.25	0.25	-88.72
CN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627482	0	44	0.0	-98.55	351.46	3.87	-94.68
CN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627482	1	44	0.0	-101.50	350.14	4.04	-97.46
CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627483	0	45	0.0	-90.25	342.57	4.09	-86.16
CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627483	1	45	0.0	-90.48	342.72	4.11	-86.37
CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627484	0	45	0.0	-79.40	343.65	3.12	-76.28
CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627484	1	45	0.0	-81.28	344.28	3.14	-78.14
CN(C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627485	0	46	0.0	-77.80	324.38	5.74	-72.06
CN(C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627485	1	46	0.0	-67.64	325.59	5.41	-62.23
CN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627486	0	45	0.0	-71.69	346.64	5.76	-65.93
CN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627486	1	45	0.0	-55.80	341.43	5.85	-49.95
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627487	0	45	0.0	-88.71	349.67	5.30	-83.41
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627487	1	45	0.0	-80.72	357.46	4.66	-76.06
CN(C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627488	0	45	0.0	-100.43	359.47	6.40	-94.03
CN(C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627488	1	45	0.0	-103.02	360.12	6.42	-96.60
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627489	0	38	0.0	-76.76	316.10	4.50	-72.26
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627489	1	38	0.0	-79.52	314.58	4.61	-74.91
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)[C@@H]2C[N@H+](C)C[C@H]2O)=C1	REAL300005627490	0	41	0.0	-63.40	327.19	2.49	-60.91
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)[C@@H]2C[N@@H+](C)C[C@H]2O)=C1	REAL300005627490	1	41	0.0	-60.86	324.84	2.77	-58.09
CN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627491	0	44	0.0	-79.03	343.65	5.52	-73.51
CN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627491	1	44	0.0	-81.20	341.08	5.70	-75.50
CN(C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627492	0	42	0.0	-68.79	335.44	4.81	-63.98
CN(C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627492	1	42	0.0	-82.19	335.11	4.76	-77.43
CN(C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627493	1	38	0.0	-85.98	327.41	4.43	-81.55
CN(C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627493	1	38	0.0	-87.80	324.96	4.63	-83.17
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)[C@@H]2C[N@H+](C)C[C@H]2O)=C1	REAL300005627494	0	42	0.0	-78.60	341.36	3.64	-74.96
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)[C@@H]2C[N@@H+](C)C[C@H]2O)=C1	REAL300005627494	1	42	0.0	-83.83	339.64	3.84	-79.99
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627495	0	41	0.0	-73.30	330.47	4.70	-68.60
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627495	1	41	0.0	-70.48	324.65	4.76	-65.72
CN(C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627496	1	41	0.0	-94.46	332.36	5.09	-89.37
CN(C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627496	1	41	0.0	-96.56	330.33	5.32	-91.24
CN(C(=O)CCC1=CC=CN=C1C(=O)[O-])[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627497	0	43	0.0	-83.25	335.35	3.79	-79.46
CN(C(=O)CCC1=CC=CN=C1C(=O)[O-])[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627497	1	43	0.0	-85.29	335.73	3.82	-81.47
CN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627498	0	42	0.0	-82.93	335.84	5.53	-77.40
CN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627498	1	42	0.0	-85.51	336.33	5.55	-79.96
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627499	0	39	0.0	-71.74	322.45	3.62	-68.12
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627499	1	39	0.0	-68.92	320.34	3.90	-65.02
CN(C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627500	0	39	0.0	-81.91	323.79	3.76	-78.15
CN(C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627500	1	39	0.0	-83.07	320.99	3.93	-79.14
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627501	0	39	0.0	-72.53	314.12	2.74	-69.79
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627501	1	39	0.0	-71.07	311.71	3.03	-68.04
CN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627502	0	41	0.0	-83.78	331.94	3.77	-80.01
CN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627502	1	41	0.0	-86.45	331.88	3.75	-82.70
CN(C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627503	0	44	0.0	-84.02	339.12	6.02	-78.00
CN(C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627503	1	44	0.0	-85.87	340.01	6.07	-79.80
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627504	0	44	0.0	-91.97	343.89	5.50	-86.47
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627504	1	44	0.0	-94.51	341.84	5.63	-88.88
CN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627505	0	41	0.0	-93.42	331.37	5.07	-88.35
CN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627505	1	41	0.0	-95.79	328.84	5.26	-90.53
CN(C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627506	1	45	0.0	-77.78	346.15	5.38	-72.40
CN(C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627506	1	45	0.0	-76.27	344.07	5.56	-70.71
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300005627507	0	48	0.0	-80.83	332.38	4.68	-76.15
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300005627507	1	48	0.0	-83.03	333.71	4.71	-78.32
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCCC1N1CCCS1(=O)=O	REAL300005627582	0	55	0.0	-53.28	396.55	5.29	-47.99
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CCCC1N1CCCS1(=O)=O	REAL300005627582	1	55	0.0	-61.20	416.06	5.17	-56.03
COC1=CC=C2CC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300005627706	0	52	0.0	-53.17	399.22	9.29	-43.88
COC1=CC=C2CC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300005627706	1	52	0.0	-48.88	397.31	8.85	-40.03
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC[C@@H]1NC(=O)NC1=O	REAL300005627827	0	45	0.0	-55.00	350.67	0.94	-54.06
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC[C@@H]1NC(=O)NC1=O	REAL300005627827	1	45	0.0	-55.37	350.80	0.92	-54.45
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC3=CC(F)=CC=C3N=C2)C1	REAL300005628017	0	42	0.0	-54.14	332.46	7.76	-46.38
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC3=CC(F)=CC=C3N=C2)C1	REAL300005628017	1	42	0.0	-54.59	337.70	7.78	-46.81
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC[C@H]2CC2=CC=CS2)C1	REAL300005628205	0	47	0.0	-44.76	354.81	10.06	-34.70
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC[C@H]2CC2=CC=CS2)C1	REAL300005628205	1	47	0.0	-44.75	359.49	9.77	-34.98
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628243	1	45	0.0	-78.55	351.67	3.26	-75.29
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628243	1	45	0.0	-78.47	351.47	3.27	-75.20
CC1C[N@H+](CC(O)CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CCO1	REAL300005628244	1	49	0.0	-84.09	382.76	3.52	-80.57
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CCO1	REAL300005628244	1	49	0.0	-83.98	382.56	3.53	-80.45
CC1C[N@H+](CC(O)CNC(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300005628245	1	45	0.0	-86.84	351.39	3.30	-83.54
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300005628245	1	45	0.0	-86.79	351.48	3.25	-83.54
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])S2)CCO1	REAL300005628246	1	42	0.0	-72.06	345.68	2.47	-69.59
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])S2)CCO1	REAL300005628246	1	42	0.0	-72.10	346.00	2.40	-69.70
CC(SC1=CC=CC=C1C(=O)NCC(O)C[N@@H+]1CCOC(C)C1)C(=O)[O-]	REAL300005628248	1	52	0.0	-83.74	404.24	5.00	-78.74
CC(SC1=CC=CC=C1C(=O)NCC(O)C[N@H+]1CCOC(C)C1)C(=O)[O-]	REAL300005628248	1	52	0.0	-82.93	404.27	5.00	-77.93
CCOC1=CC(C(=O)NCC(O)C[N@@H+]2CCOC(C)C2)=CC=C1OCC(=O)[O-]	REAL300005628249	1	56	0.0	-83.66	433.75	4.20	-79.46
CCOC1=CC(C(=O)NCC(O)C[N@H+]2CCOC(C)C2)=CC=C1OCC(=O)[O-]	REAL300005628249	1	56	0.0	-83.61	433.55	4.21	-79.40
CC1C[N@H+](CC(O)CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628250	1	51	0.0	-82.16	397.74	4.73	-77.43
CC1C[N@@H+](CC(O)CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628250	1	51	0.0	-82.15	397.54	4.75	-77.40
CC1C[N@H+](CC(O)CNC(=O)C2=CC=NC(C(=O)[O-])=C2)CCO1	REAL300005628251	1	44	0.0	-89.35	347.48	1.54	-87.81
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=NC(C(=O)[O-])=C2)CCO1	REAL300005628251	1	44	0.0	-89.28	347.57	1.49	-87.79
CC1C[N@H+](CC(O)CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628252	1	49	0.0	-81.89	385.91	4.50	-77.39
CC1C[N@@H+](CC(O)CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628252	1	49	0.0	-81.86	386.00	4.45	-77.41
CC1C[N@H+](CC(O)CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCO1	REAL300005628253	1	47	0.0	-78.50	379.83	3.91	-74.59
CC1C[N@@H+](CC(O)CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCO1	REAL300005628253	1	47	0.0	-66.37	379.86	3.92	-62.45
CC1C[N@H+](CC(O)CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCO1	REAL300005628254	1	47	0.0	-78.50	379.83	3.91	-74.59
CC1C[N@@H+](CC(O)CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCO1	REAL300005628254	1	47	0.0	-66.37	379.86	3.92	-62.45
CC1C[N@H+](CC(O)CNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CCO1	REAL300005628255	1	52	0.0	-80.97	409.47	4.28	-76.69
CC1C[N@@H+](CC(O)CNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CCO1	REAL300005628255	1	52	0.0	-81.00	409.58	4.26	-76.74
CC1C[N@H+](CC(O)CNC(=O)CCC2=CC=CC=C2C(=O)[O-])CCO1	REAL300005628257	1	51	0.0	-73.74	388.89	4.53	-69.21
CC1C[N@@H+](CC(O)CNC(=O)CCC2=CC=CC=C2C(=O)[O-])CCO1	REAL300005628257	1	51	0.0	-73.45	388.90	4.49	-68.96
CC1=CC(C(=O)NCC(O)C[N@@H+]2CCOC(C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300005628258	1	55	0.0	-80.49	426.78	5.07	-75.42
CC1=CC(C(=O)NCC(O)C[N@H+]2CCOC(C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300005628258	1	55	0.0	-80.44	426.80	5.09	-75.35
CC1C[N@H+](CC(O)CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300005628259	1	48	0.0	-85.06	376.06	3.98	-81.08
CC1C[N@@H+](CC(O)CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300005628259	1	48	0.0	-85.12	376.15	3.93	-81.19
CC1C[N@H+](CC(O)CNC(=O)C2CCCC(C(=O)[O-])C2)CCO1	REAL300005628260	1	51	0.0	-85.25	377.71	3.40	-81.85
CC1C[N@@H+](CC(O)CNC(=O)C2CCCC(C(=O)[O-])C2)CCO1	REAL300005628260	1	51	0.0	-83.59	377.29	3.47	-80.12
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300005628261	1	44	0.0	-78.74	347.55	1.47	-77.27
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300005628261	1	44	0.0	-78.76	347.59	1.46	-77.30
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=N2)CCO1	REAL300005628262	1	44	0.0	-69.61	349.08	1.51	-68.10
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=N2)CCO1	REAL300005628262	1	44	0.0	-69.61	348.89	1.52	-68.09
CC1C[N@H+](CC(O)CNC(=O)CC(C)(C)CC(=O)[O-])CCO1	REAL300005628263	1	50	0.0	-75.79	360.83	2.67	-73.12
CC1C[N@@H+](CC(O)CNC(=O)CC(C)(C)CC(=O)[O-])CCO1	REAL300005628263	1	50	0.0	-75.79	360.64	2.69	-73.10
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)CCO1	REAL300005628264	1	45	0.0	-78.47	356.20	3.33	-75.14
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)CCO1	REAL300005628264	1	45	0.0	-78.42	356.23	3.32	-75.10
CC1C[N@H+](CC(O)CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CCO1	REAL300005628266	1	51	0.0	-76.72	376.19	3.51	-73.21
CC1C[N@@H+](CC(O)CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CCO1	REAL300005628266	1	51	0.0	-78.06	384.55	3.52	-74.54
CC1C[N@H+](CC(O)CNC(=O)C2CCC(C(=O)[O-])CC2)CCO1	REAL300005628267	1	51	0.0	-77.56	377.52	3.55	-74.01
CC1C[N@@H+](CC(O)CNC(=O)C2CCC(C(=O)[O-])CC2)CCO1	REAL300005628267	1	51	0.0	-77.57	377.60	3.50	-74.07
CC1C[N@H+](CC(O)CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628268	1	48	0.0	-87.47	376.34	3.92	-83.55
CC1C[N@@H+](CC(O)CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628268	1	48	0.0	-87.43	376.15	3.94	-83.49
CC1C[N@H+](CC(O)CNC(=O)CN2C=C(C(=O)[O-])N=N2)CCO1	REAL300005628269	1	44	0.0	-88.96	353.53	-0.10	-89.06
CC1C[N@@H+](CC(O)CNC(=O)CN2C=C(C(=O)[O-])N=N2)CCO1	REAL300005628269	1	44	0.0	-88.91	353.52	-0.10	-89.01
CC1=NC(C(=O)NCC(O)C[N@@H+]2CCOC(C)C2)=CC=C1C(=O)[O-]	REAL300005628270	1	47	0.0	-69.60	365.34	2.02	-67.58
CC1=NC(C(=O)NCC(O)C[N@H+]2CCOC(C)C2)=CC=C1C(=O)[O-]	REAL300005628270	1	47	0.0	-69.39	365.31	1.98	-67.41
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628271	1	45	0.0	-78.55	351.67	3.26	-75.29
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628271	1	45	0.0	-78.47	351.47	3.27	-75.20
CC1C[N@H+](CC(O)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300005628272	1	48	0.0	-82.38	359.14	2.91	-79.47
CC1C[N@@H+](CC(O)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300005628272	1	48	0.0	-82.51	359.42	2.83	-79.68
CC1C[N@H+](CC(O)CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)CCO1	REAL300005628273	1	48	0.0	-80.49	373.58	4.07	-76.42
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)CCO1	REAL300005628273	1	48	0.0	-80.47	373.67	4.01	-76.46
CC1C[N@H+](CC(O)CNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CCO1	REAL300005628274	1	55	0.0	-73.56	417.45	6.68	-66.88
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CCO1	REAL300005628274	1	55	0.0	-73.48	417.47	6.66	-66.82
CC1C[N@H+](CC(O)CNC(=O)C2=CC(C(=O)[O-])=CC=N2)CCO1	REAL300005628277	1	44	0.0	-76.01	349.28	1.53	-74.48
CC1C[N@@H+](CC(O)CNC(=O)C2=CC(C(=O)[O-])=CC=N2)CCO1	REAL300005628277	1	44	0.0	-76.01	349.30	1.53	-74.48
CC1C[N@H+](CC(O)CNC(=O)C23CC(C(=O)[O-])(C2)C3)CCO1	REAL300005628278	1	46	0.0	-76.88	361.84	2.84	-74.04
CC1C[N@@H+](CC(O)CNC(=O)C23CC(C(=O)[O-])(C2)C3)CCO1	REAL300005628278	1	46	0.0	-76.82	361.63	2.88	-73.94
CC1C[N@H+](CC(O)CNC(=O)C2(C(=O)[O-])CCC2)CCO1	REAL300005628279	1	45	0.0	-61.26	339.66	2.20	-59.06
CC1C[N@@H+](CC(O)CNC(=O)C2(C(=O)[O-])CCC2)CCO1	REAL300005628279	1	45	0.0	-60.18	338.27	2.25	-57.93
CC1C[N@H+](CC(O)CNC(=O)CC2CCC(C(=O)[O-])CC2)CCO1	REAL300005628280	1	54	0.0	-72.55	387.85	3.97	-68.58
CC1C[N@@H+](CC(O)CNC(=O)CC2CCC(C(=O)[O-])CC2)CCO1	REAL300005628280	1	54	0.0	-72.62	387.94	3.93	-68.69
CC1C[N@H+](CC(O)CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CCO1	REAL300005628281	1	52	0.0	-73.93	385.27	3.61	-70.32
CC1C[N@@H+](CC(O)CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CCO1	REAL300005628281	1	52	0.0	-84.70	385.24	3.64	-81.06
CC1C[N@H+](CC(O)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1	REAL300005628282	1	55	0.0	-80.40	401.98	4.18	-76.22
CC1C[N@@H+](CC(O)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1	REAL300005628282	1	55	0.0	-80.37	401.99	4.18	-76.19
CC1C[N@H+](CC(O)CNC(=O)CC(C)(C)CC(=O)[O-])CCO1	REAL300005628283	1	50	0.0	-75.79	360.83	2.67	-73.12
CC1C[N@@H+](CC(O)CNC(=O)CC(C)(C)CC(=O)[O-])CCO1	REAL300005628283	1	50	0.0	-75.79	360.64	2.69	-73.10
CC(CC(=O)[O-])CC(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628284	1	47	0.0	-77.61	350.80	2.36	-75.25
CC(CC(=O)[O-])CC(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628284	1	47	0.0	-77.69	350.88	2.31	-75.38
CC1C[N@H+](CC(O)CNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CCO1	REAL300005628285	1	47	0.0	-80.97	373.54	2.56	-78.41
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CCO1	REAL300005628285	1	47	0.0	-80.96	373.56	2.56	-78.40
CC1C[N@H+](CC(O)CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CCO1	REAL300005628286	1	52	0.0	-84.04	403.83	3.95	-80.09
CC1C[N@@H+](CC(O)CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CCO1	REAL300005628286	1	52	0.0	-84.02	403.85	3.95	-80.07
CC1C[N@H+](CC(O)CNC(=O)C2(C(=O)[O-])CCCC2)CCO1	REAL300005628288	1	48	0.0	-61.78	355.89	2.91	-58.87
CC1C[N@@H+](CC(O)CNC(=O)C2(C(=O)[O-])CCCC2)CCO1	REAL300005628288	1	48	0.0	-62.22	355.87	2.91	-59.31
CC1C[N@H+](CC(O)CNC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CCO1	REAL300005628289	1	58	0.0	-76.98	430.64	6.14	-70.84
CC1C[N@@H+](CC(O)CNC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CCO1	REAL300005628289	1	58	0.0	-77.40	430.63	6.13	-71.27
CC1=C(C(=O)NCC(O)C[N@@H+]2CCOC(C)C2)C=C(C(=O)[O-])O1	REAL300005628290	1	45	0.0	-71.95	354.52	2.46	-69.49
CC1=C(C(=O)NCC(O)C[N@H+]2CCOC(C)C2)C=C(C(=O)[O-])O1	REAL300005628290	1	45	0.0	-72.00	354.61	2.39	-69.61
CC1C[N@H+](CC(O)CNC(=O)CN2C=C(C(=O)[O-])C=N2)CCO1	REAL300005628292	1	45	0.0	-85.17	358.14	1.46	-83.71
CC1C[N@@H+](CC(O)CNC(=O)CN2C=C(C(=O)[O-])C=N2)CCO1	REAL300005628292	1	45	0.0	-85.20	358.42	1.39	-83.81
CC1C[N@H+](CC(O)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CCO1	REAL300005628294	1	52	0.0	-59.35	382.30	4.01	-55.34
CC1C[N@@H+](CC(O)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CCO1	REAL300005628294	1	52	0.0	-59.45	382.39	3.97	-55.48
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCO1	REAL300005628295	1	49	0.0	-78.09	382.68	3.53	-74.56
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCO1	REAL300005628295	1	49	0.0	-77.99	382.48	3.54	-74.45
CC1C[N@H+](CC(O)CNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CCO1	REAL300005628296	1	54	0.0	-86.15	419.99	3.81	-82.34
CC1C[N@@H+](CC(O)CNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CCO1	REAL300005628296	1	54	0.0	-86.24	420.06	3.82	-82.42
CC1C[N@H+](CC(O)CNC(=O)CCSCC(=O)[O-])CCO1	REAL300005628297	1	45	0.0	-75.09	361.51	2.44	-72.65
CC1C[N@@H+](CC(O)CNC(=O)CCSCC(=O)[O-])CCO1	REAL300005628297	1	45	0.0	-75.01	361.31	2.45	-72.56
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=N2)CCO1	REAL300005628298	1	44	0.0	-69.61	349.08	1.51	-68.10
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=N2)CCO1	REAL300005628298	1	44	0.0	-69.61	348.89	1.52	-68.09
CC1C[N@H+](CC(O)CNC(=O)C2=CC(C(=O)[O-])=NN2C)CCO1	REAL300005628299	1	45	0.0	-77.43	353.60	0.96	-76.47
CC1C[N@@H+](CC(O)CNC(=O)C2=CC(C(=O)[O-])=NN2C)CCO1	REAL300005628299	1	45	0.0	-77.38	353.93	0.91	-76.47
C[C@@H]1C[C@H](C(=O)NCC(O)C[N@@H+]2CCOC(C)C2)O[C@H]1C(=O)[O-]	REAL300005628300	1	49	0.0	-83.59	380.46	2.85	-80.74
C[C@@H]1C[C@H](C(=O)NCC(O)C[N@H+]2CCOC(C)C2)O[C@H]1C(=O)[O-]	REAL300005628300	1	49	0.0	-83.06	373.82	2.77	-80.29
CC1C[N@H+](CC(O)CNC(=O)C(C)(C)CCC(=O)[O-])CCO1	REAL300005628301	1	50	0.0	-80.84	369.64	2.80	-78.04
CC1C[N@@H+](CC(O)CNC(=O)C(C)(C)CCC(=O)[O-])CCO1	REAL300005628301	1	50	0.0	-80.86	369.67	2.80	-78.06
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)CCO1	REAL300005628302	1	48	0.0	-75.43	373.86	4.03	-71.40
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)CCO1	REAL300005628302	1	48	0.0	-75.17	373.66	4.03	-71.14
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CCO1	REAL300005628303	1	49	0.0	-79.85	383.75	4.54	-75.31
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CCO1	REAL300005628303	1	49	0.0	-79.85	383.56	4.54	-75.31
CC1C[N@H+](CC(O)CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)CCO1	REAL300005628304	1	46	0.0	-78.32	370.75	2.69	-75.63
CC1C[N@@H+](CC(O)CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)CCO1	REAL300005628304	1	46	0.0	-78.39	370.77	2.70	-75.69
CC1C[N@H+](CC(O)CNC(=O)C2=CC=CC=C2CCC(=O)[O-])CCO1	REAL300005628305	1	51	0.0	-80.27	386.35	4.73	-75.54
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=CC=C2CCC(=O)[O-])CCO1	REAL300005628305	1	51	0.0	-80.37	386.39	4.74	-75.63
CC1C[N@H+](CC(O)CNC(=O)COCC2=C(C(=O)[O-])N=CO2)CCO1	REAL300005628306	1	48	0.0	-86.19	384.16	-0.94	-87.13
CC1C[N@@H+](CC(O)CNC(=O)COCC2=C(C(=O)[O-])N=CO2)CCO1	REAL300005628306	1	48	0.0	-86.09	384.25	-0.99	-87.08
CC1C[N@H+](CC(O)CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)CCO1	REAL300005628307	1	46	0.0	-75.16	372.28	3.05	-72.11
CC1C[N@@H+](CC(O)CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)CCO1	REAL300005628307	1	46	0.0	-75.15	372.30	3.06	-72.09
CC1C[N@H+](CC(O)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300005628308	1	48	0.0	-82.38	359.14	2.91	-79.47
CC1C[N@@H+](CC(O)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300005628308	1	48	0.0	-82.51	359.42	2.83	-79.68
CC1=CC=C(C(=O)NCC(O)C[N@@H+]2CCOC(C)C2)C=C1C(=O)[O-]	REAL300005628309	1	48	0.0	-87.82	371.42	3.91	-83.91
CC1=CC=C(C(=O)NCC(O)C[N@H+]2CCOC(C)C2)C=C1C(=O)[O-]	REAL300005628309	1	48	0.0	-86.12	367.46	3.78	-82.34
CC1C[N@H+](CC(O)CNC(=O)C2=CN=CC(C(=O)[O-])=C2)CCO1	REAL300005628310	1	44	0.0	-79.56	346.84	1.46	-78.10
CC1C[N@@H+](CC(O)CNC(=O)C2=CN=CC(C(=O)[O-])=C2)CCO1	REAL300005628310	1	44	0.0	-79.57	346.87	1.45	-78.12
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628311	1	47	0.0	-66.78	363.14	2.11	-64.67
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628311	1	47	0.0	-66.69	362.92	2.11	-64.58
CC1C[N@H+](CC(O)CNC(=O)CN2C=CC(C(=O)[O-])=N2)CCO1	REAL300005628312	1	45	0.0	-94.60	357.75	1.41	-93.19
CC1C[N@@H+](CC(O)CNC(=O)CN2C=CC(C(=O)[O-])=N2)CCO1	REAL300005628312	1	45	0.0	-94.59	357.80	1.41	-93.18
CC1C[N@H+](CC(O)CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)CCO1	REAL300005628313	1	51	0.0	-95.20	401.08	2.85	-92.35
CC1C[N@@H+](CC(O)CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)CCO1	REAL300005628313	1	51	0.0	-95.17	401.18	2.80	-92.37
CC1C[N@H+](CC(O)CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1	REAL300005628314	1	45	0.0	-64.59	340.26	2.10	-62.49
CC1C[N@@H+](CC(O)CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1	REAL300005628314	1	45	0.0	-61.41	339.23	2.04	-59.37
CC1C[N@H+](CC(O)CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCO1	REAL300005628315	1	52	0.0	-85.09	401.97	3.19	-81.90
CC1C[N@@H+](CC(O)CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCO1	REAL300005628315	1	52	0.0	-85.02	402.11	3.23	-81.79
CC1C[N@H+](CC(O)CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1	REAL300005628316	1	52	0.0	-76.57	400.29	2.16	-74.41
CC1C[N@@H+](CC(O)CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1	REAL300005628316	1	52	0.0	-76.13	393.64	2.08	-74.05
CC1C[N@H+](CC(O)CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1	REAL300005628317	1	45	0.0	-64.59	340.26	2.10	-62.49
CC1C[N@@H+](CC(O)CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1	REAL300005628317	1	45	0.0	-61.41	339.23	2.04	-59.37
CC1=C(C(=O)NCC(O)C[N@@H+]2CCOC(C)C2)OC(C(=O)[O-])=C1	REAL300005628318	1	45	0.0	-68.43	355.63	2.38	-66.05
CC1=C(C(=O)NCC(O)C[N@H+]2CCOC(C)C2)OC(C(=O)[O-])=C1	REAL300005628318	1	45	0.0	-68.38	355.72	2.33	-66.05
CC1C[N@H+](CC(O)CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CCO1	REAL300005628319	1	53	0.0	-60.36	382.79	4.32	-56.04
CC1C[N@@H+](CC(O)CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CCO1	REAL300005628319	1	53	0.0	-63.41	382.92	4.33	-59.08
CC(C)C(C(=O)[O-])C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628320	1	47	0.0	-62.31	352.26	2.31	-60.00
CC(C)C(C(=O)[O-])C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628320	1	47	0.0	-62.26	352.34	2.26	-60.00
CC1C[N@H+](CC(O)CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCO1	REAL300005628321	1	51	0.0	-76.67	365.06	4.00	-72.67
CC1C[N@@H+](CC(O)CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCO1	REAL300005628321	1	51	0.0	-76.21	364.87	4.01	-72.20
CC1CN(CC(O)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300005628322	0	53	0.0	-48.77	392.68	1.28	-47.49
CC1CN(CC(O)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300005628322	1	53	0.0	-50.33	398.58	1.17	-49.16
CC1C[N@H+](CC(O)CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CCO1	REAL300005628323	1	52	0.0	-61.21	400.14	5.36	-55.85
CC1C[N@@H+](CC(O)CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CCO1	REAL300005628323	1	52	0.0	-57.14	391.41	5.08	-52.06
CC1C[N@H+](CC(O)CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CCO1	REAL300005628324	1	52	0.0	-84.04	403.83	3.95	-80.09
CC1C[N@@H+](CC(O)CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CCO1	REAL300005628324	1	52	0.0	-84.02	403.85	3.95	-80.07
CC1C[N@H+](CC(O)CNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CCO1	REAL300005628325	1	52	0.0	-95.75	409.41	5.44	-90.31
CC1C[N@@H+](CC(O)CNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CCO1	REAL300005628325	1	52	0.0	-95.72	409.72	5.37	-90.35
CC1C[N@H+](CC(O)CNC(=O)C2CC3(CC3C(=O)[O-])C2)CCO1	REAL300005628326	1	49	0.0	-77.84	372.75	3.56	-74.28
CC1C[N@@H+](CC(O)CNC(=O)C2CC3(CC3C(=O)[O-])C2)CCO1	REAL300005628326	1	49	0.0	-77.89	372.77	3.57	-74.32
CC1C[N@H+](CC(O)CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1	REAL300005628327	1	45	0.0	-78.57	343.48	2.22	-76.35
CC1C[N@@H+](CC(O)CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1	REAL300005628327	1	45	0.0	-79.38	349.99	2.30	-77.08
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628328	1	51	0.0	-82.70	389.08	4.47	-78.23
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628328	1	51	0.0	-82.70	388.06	4.47	-78.23
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628329	1	48	0.0	-68.34	367.36	3.99	-64.35
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628329	1	48	0.0	-68.38	367.52	3.94	-64.44
CC1C[N@H+](CC(O)CNC(=O)C2CC(C)(C(=O)[O-])C2)CCO1	REAL300005628330	1	48	0.0	-80.27	362.77	2.77	-77.50
CC1C[N@@H+](CC(O)CNC(=O)C2CC(C)(C(=O)[O-])C2)CCO1	REAL300005628330	1	48	0.0	-70.84	360.64	2.67	-68.17
CC1C[N@H+](CC(O)CNC(=O)C2=C(C(=O)[O-])SC=C2)CCO1	REAL300005628331	1	42	0.0	-82.59	339.48	3.18	-79.41
CC1C[N@@H+](CC(O)CNC(=O)C2=C(C(=O)[O-])SC=C2)CCO1	REAL300005628331	1	42	0.0	-82.32	338.81	3.20	-79.12
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628333	1	47	0.0	-77.58	357.32	2.01	-75.57
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628333	1	47	0.0	-77.25	357.53	1.97	-75.28
CCCC(C(=O)[O-])C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628334	1	47	0.0	-62.52	357.68	2.52	-60.00
CCCC(C(=O)[O-])C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628334	1	47	0.0	-62.65	357.76	2.47	-60.18
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628335	1	48	0.0	-78.68	367.69	3.91	-74.77
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628335	1	48	0.0	-78.72	367.73	3.90	-74.82
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CCO1	REAL300005628336	1	45	0.0	-77.14	364.16	3.75	-73.39
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CCO1	REAL300005628336	1	45	0.0	-77.16	364.19	3.74	-73.42
CC1C[N@H+](CC(O)CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CCO1	REAL300005628337	1	52	0.0	-79.65	392.60	4.10	-75.55
CC1C[N@@H+](CC(O)CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CCO1	REAL300005628337	1	52	0.0	-80.09	399.14	4.16	-75.93
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])N2C)CCO1	REAL300005628339	1	46	0.0	-78.39	354.20	2.52	-75.87
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(C(=O)[O-])N2C)CCO1	REAL300005628339	1	46	0.0	-78.45	354.47	2.46	-75.99
CC1C[N@H+](CC(O)CNC(=O)C2(C(=O)[O-])CC=CC2)CCO1	REAL300005628340	1	46	0.0	-62.80	348.17	2.84	-59.96
CC1C[N@@H+](CC(O)CNC(=O)C2(C(=O)[O-])CC=CC2)CCO1	REAL300005628340	1	46	0.0	-62.25	347.95	2.79	-59.46
CC1C[N@H+](CC(O)CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CCO1	REAL300005628341	1	51	0.0	-77.39	395.26	4.83	-72.56
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CCO1	REAL300005628341	1	51	0.0	-77.29	395.06	4.83	-72.46
CC1C[N@H+](CC(O)CNC(=O)CC2(CC(=O)[O-])CC2)CCO1	REAL300005628343	1	48	0.0	-69.27	364.27	2.95	-66.32
CC1C[N@@H+](CC(O)CNC(=O)CC2(CC(=O)[O-])CC2)CCO1	REAL300005628343	1	48	0.0	-69.17	362.89	2.91	-66.26
CC1C[N@H+](CC(O)CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CCO1	REAL300005628344	1	49	0.0	-70.41	385.08	3.79	-66.62
CC1C[N@@H+](CC(O)CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CCO1	REAL300005628344	1	49	0.0	-69.67	387.90	3.81	-65.86
CC1C[N@H+](CC(O)CNC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])CCO1	REAL300005628346	1	45	0.0	-76.94	347.05	2.19	-74.75
CC1C[N@@H+](CC(O)CNC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])CCO1	REAL300005628346	1	45	0.0	-81.22	351.79	2.76	-78.46
CC1=C(C(=O)NCC(O)C[N@@H+]2CCOC(C)C2)C=C(C(=O)[O-])S1	REAL300005628347	1	45	0.0	-69.07	360.94	3.09	-65.98
CC1=C(C(=O)NCC(O)C[N@H+]2CCOC(C)C2)C=C(C(=O)[O-])S1	REAL300005628347	1	45	0.0	-69.13	360.98	3.08	-66.05
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC(O)C[N@@H+]2CCOC(C)C2)=C1	REAL300005628349	1	49	0.0	-80.37	389.39	2.92	-77.45
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC(O)C[N@H+]2CCOC(C)C2)=C1	REAL300005628349	1	49	0.0	-80.37	389.42	2.93	-77.44
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628350	1	48	0.0	-72.02	379.35	3.72	-68.30
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628350	1	48	0.0	-69.48	375.41	3.55	-65.93
CC1C[N@H+](CC(O)CNC(=O)CCC2=CC=CN=C2C(=O)[O-])CCO1	REAL300005628352	1	50	0.0	-76.77	384.28	2.77	-74.00
CC1C[N@@H+](CC(O)CNC(=O)CCC2=CC=CN=C2C(=O)[O-])CCO1	REAL300005628352	1	50	0.0	-78.60	385.05	2.73	-75.87
CC1C[N@H+](CC(O)CNC(=O)C23CC(C(=O)[O-])(C2)CO3)CCO1	REAL300005628353	1	47	0.0	-72.17	361.55	0.84	-71.33
CC1C[N@@H+](CC(O)CNC(=O)C23CC(C(=O)[O-])(C2)CO3)CCO1	REAL300005628353	1	47	0.0	-72.07	361.54	0.82	-71.25
CC1C[N@H+](CC(O)CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628354	1	49	0.0	-81.86	385.91	4.50	-77.36
CC1C[N@@H+](CC(O)CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300005628354	1	49	0.0	-81.86	386.00	4.45	-77.41
CC1CC1(C(=O)[O-])C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628355	1	45	0.0	-57.18	337.83	2.43	-54.75
CC1CC1(C(=O)[O-])C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628355	1	45	0.0	-59.66	340.00	2.52	-57.14
CC1C[N@H+](CC(O)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CCO1	REAL300005628356	1	52	0.0	-59.35	382.30	4.01	-55.34
CC1C[N@@H+](CC(O)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CCO1	REAL300005628356	1	52	0.0	-59.45	382.39	3.97	-55.48
CC1C[N@H+](CC(O)CNC(=O)C2=C(C(=O)[O-])C=NN2C)CCO1	REAL300005628357	1	45	0.0	-74.32	357.65	0.66	-73.66
CC1C[N@@H+](CC(O)CNC(=O)C2=C(C(=O)[O-])C=NN2C)CCO1	REAL300005628357	1	45	0.0	-71.32	357.68	0.67	-70.65
CC1C[N@H+](CC(O)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CCO1	REAL300005628358	1	46	0.0	-70.37	376.56	2.32	-68.05
CC1C[N@@H+](CC(O)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CCO1	REAL300005628358	1	46	0.0	-70.43	376.88	2.25	-68.18
CC1C[N@H+](CC(O)CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CCO1	REAL300005628359	1	46	0.0	-80.15	377.04	2.38	-77.77
CC1C[N@@H+](CC(O)CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CCO1	REAL300005628359	1	46	0.0	-80.07	376.84	2.40	-77.67
CC1C[N@H+](CC(O)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CCO1	REAL300005628360	1	46	0.0	-71.94	367.91	1.46	-70.48
CC1C[N@@H+](CC(O)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CCO1	REAL300005628360	1	46	0.0	-71.93	368.00	1.41	-70.52
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628361	1	48	0.0	-83.90	361.28	3.83	-80.07
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628361	1	48	0.0	-83.28	362.06	3.73	-79.55
CC1C[N@H+](CC(O)CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300005628362	1	48	0.0	-83.49	381.97	2.65	-80.84
CC1C[N@@H+](CC(O)CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300005628362	1	48	0.0	-83.44	381.99	2.66	-80.78
C=C1CCC1(C(=O)[O-])C(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628363	1	46	0.0	-60.62	352.18	2.70	-57.92
C=C1CCC1(C(=O)[O-])C(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628363	1	46	0.0	-61.55	353.04	2.60	-58.95
CC1C[N@H+](CC(O)CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CCO1	REAL300005628365	1	50	0.0	-68.78	371.79	1.60	-67.18
CC1C[N@@H+](CC(O)CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CCO1	REAL300005628365	1	50	0.0	-69.46	378.47	1.56	-67.90
CC1C[N@H+](CC(O)CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CCO1	REAL300005628366	1	51	0.0	-84.70	387.40	5.39	-79.31
CC1C[N@@H+](CC(O)CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CCO1	REAL300005628366	1	51	0.0	-84.75	387.48	5.34	-79.41
CC(C)[C@]1(C(=O)NCC(O)C[N@@H+]2CCOC(C)C2)C[C@H]1C(=O)[O-]	REAL300005628367	1	51	0.0	-64.35	388.24	3.74	-60.61
CC(C)[C@]1(C(=O)NCC(O)C[N@H+]2CCOC(C)C2)C[C@H]1C(=O)[O-]	REAL300005628367	1	51	0.0	-66.11	380.26	3.15	-62.96
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(O)C[N@@H+]1CCOC(C)C1	REAL300005628368	1	51	0.0	-88.85	393.05	4.39	-84.46
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(O)C[N@H+]1CCOC(C)C1	REAL300005628368	1	51	0.0	-88.87	393.08	4.39	-84.48
CC1C[N@H+](CC(O)CNC(=O)CC2=CC(C(=O)[O-])=CS2)CCO1	REAL300005628369	1	45	0.0	-84.42	367.60	3.13	-81.29
CC1C[N@@H+](CC(O)CNC(=O)CC2=CC(C(=O)[O-])=CS2)CCO1	REAL300005628369	1	45	0.0	-84.59	367.92	3.06	-81.53
CC1C[N@H+](CC(O)CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CCO1	REAL300005628370	1	48	0.0	-90.36	380.90	3.95	-86.41
CC1C[N@@H+](CC(O)CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CCO1	REAL300005628370	1	48	0.0	-90.24	380.69	3.97	-86.27
CC1C[N@H+](CC(O)CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CCO1	REAL300005628371	1	48	0.0	-69.82	365.07	2.80	-67.02
CC1C[N@@H+](CC(O)CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CCO1	REAL300005628371	1	48	0.0	-69.93	365.09	2.80	-67.13
CC1C[N@H+](CC(O)CNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CCO1	REAL300005628372	1	52	0.0	-73.04	400.68	4.79	-68.25
CC1C[N@@H+](CC(O)CNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CCO1	REAL300005628372	1	52	0.0	-73.04	400.69	4.78	-68.26
CC1C[N@H+](CC(O)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1	REAL300005628373	1	55	0.0	-80.40	401.98	4.18	-76.22
CC1C[N@@H+](CC(O)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1	REAL300005628373	1	55	0.0	-80.37	401.99	4.18	-76.19
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC23CCS(=O)(=O)CC3)C1	REAL300005628443	0	50	0.0	-64.61	350.87	5.93	-58.68
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC23CCS(=O)(=O)CC3)C1	REAL300005628443	1	50	0.0	-56.33	350.33	5.48	-50.85
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN3C=C(C4=CC=CC=C4)N=C3C=C2)C1	REAL300005628561	1	50	0.0	-60.45	393.75	11.45	-49.00
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN3C=C(C4=CC=CC=C4)N=C3C=C2)C1	REAL300005628561	1	50	0.0	-57.25	392.47	11.02	-46.23
O=C([O-])C1=CC2=C(CN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CC2)S1	REAL300005629737	0	51	0.0	-81.05	398.96	11.97	-69.08
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2)S1	REAL300005630390	0	48	0.0	-68.36	378.96	11.15	-57.21
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2)S1	REAL300005630390	1	48	0.0	-71.33	382.90	11.56	-59.77
O=C([O-])C1=CC2=C(CN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)S1	REAL300005631297	0	45	0.0	-73.30	355.58	10.02	-63.28
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)S1	REAL300005631324	0	42	0.0	-72.72	338.01	9.40	-63.32
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@H+]3C3CC3)CC2)S1	REAL300005631324	1	42	0.0	-68.87	331.94	9.25	-59.62
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)CN12	REAL300005631330	1	43	0.0	-68.72	346.06	9.49	-59.23
O=C([O-])C1=CC2=C(CN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CC2)S1	REAL300005631331	0	51	0.0	-82.66	399.71	12.02	-70.64
C[N@@H+]1CCCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005631413	0	41	0.0	-75.86	315.41	8.33	-67.53
C[N@H+]1CCCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005631413	1	41	0.0	-71.59	323.01	8.63	-62.96
CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)N1CC[NH+](C)CC1	REAL300005631414	1	46	0.0	-77.05	350.09	6.60	-70.45
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005631458	0	41	0.0	-68.51	323.06	8.64	-59.87
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005631458	1	41	0.0	-71.13	311.68	8.16	-62.97
CC1(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005631516	0	54	0.0	-74.00	405.32	12.07	-61.93
C[NH+]1CCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005631549	0	41	0.0	-79.33	322.78	8.46	-70.87
O=C([O-])C1=CC2=C(CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)S1	REAL300005631575	0	36	0.0	-77.26	317.41	10.42	-66.84
C[NH+](C)CC1(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CCCCC1	REAL300005631608	0	50	0.0	-79.48	357.89	10.31	-69.17
C[N@H+](CCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1CCCCC1	REAL300005631613	0	50	0.0	-76.52	381.13	10.75	-65.77
C[N@@H+](CCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1CCCCC1	REAL300005631613	1	50	0.0	-76.96	381.10	10.70	-66.26
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)CC2)S1	REAL300005631630	1	48	0.0	-78.88	390.68	11.64	-67.24
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)CC2)S1	REAL300005631630	1	48	0.0	-77.16	385.73	11.24	-65.92
C[NH+]1CCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005631684	0	41	0.0	-79.33	322.78	8.46	-70.87
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CC2)S1	REAL300005631689	0	44	0.0	-76.33	370.65	9.34	-66.99
O=C([O-])C1=CC2=C(CN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2)S1	REAL300005631712	0	51	0.0	-68.32	378.61	10.81	-57.51
O=C([O-])C1=CC2=C(CN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2)S1	REAL300005631712	1	51	0.0	-70.67	375.48	10.82	-59.85
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)S1	REAL300005631713	0	52	0.0	-79.61	390.00	9.06	-70.55
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005631746	1	42	0.0	-72.73	353.66	10.02	-62.71
O=C([O-])C1=CC2=C(CN(C(=O)CCCC[NH+]3CCOCC3)CC2)S1	REAL300005631747	1	48	0.0	-78.39	380.96	8.70	-69.69
CC[N@H+](CC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=C1)C(C)C	REAL300005631750	0	53	0.0	-78.27	399.96	11.53	-66.74
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=C1)C(C)C	REAL300005631750	1	53	0.0	-78.00	397.41	11.38	-66.62
O=C([O-])C1=CC2=C(CN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005631799	0	48	0.0	-76.89	386.25	11.47	-65.42
O=C([O-])C1=CC2=C(CN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005631799	1	48	0.0	-76.12	383.75	11.41	-64.71
O=C([O-])C1=CC2=C(CN(C(=O)C3CC[NH+](C4CCSC4)CC3)CC2)S1	REAL300005631800	0	49	0.0	-84.51	382.02	10.68	-73.83
C[NH+]1CCN(C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C2=CC=CC=C2)CC1	REAL300005631826	1	53	0.0	-68.56	406.72	9.30	-59.26
O=C([O-])C1=CC2=C(CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC2)S1	REAL300005631827	0	52	0.0	-75.66	379.51	9.00	-66.66
CCC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+](CC)CC	REAL300005631831	0	46	0.0	-67.86	344.70	9.27	-58.59
CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[N@H+](C)CC1=CC=CC=C1	REAL300005631833	0	47	0.0	-73.19	375.78	11.03	-62.16
CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[N@@H+](C)CC1=CC=CC=C1	REAL300005631833	1	47	0.0	-75.04	375.70	11.00	-64.04
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)CC2)S1	REAL300005631845	0	54	0.0	-80.38	416.41	12.91	-67.47
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)CC2)S1	REAL300005631845	1	54	0.0	-73.64	415.76	13.04	-60.60
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=N1	REAL300005631867	0	43	0.0	-79.08	354.87	8.65	-70.43
CCC[NH+](CCC)CCCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005631876	0	52	0.0	-75.74	400.81	11.05	-64.69
CC[N@H+](C)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1=CC=CC=C1	REAL300005631877	0	47	0.0	-66.71	370.44	11.01	-55.70
CC[N@@H+](C)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1=CC=CC=C1	REAL300005631877	1	47	0.0	-70.32	371.35	10.98	-59.34
C[N@@H+]1CCOC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005631879	1	39	0.0	-84.61	315.47	7.32	-77.29
C[N@H+]1CCOC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005631879	1	39	0.0	-77.28	316.58	7.38	-69.90
CC[NH+](CC)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1=CC=CC=C1	REAL300005631882	0	50	0.0	-66.89	379.63	11.29	-55.60
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005631891	1	42	0.0	-69.72	348.34	9.80	-59.92
C[NH+](C)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1=CC=C(Cl)C=C1	REAL300005631896	1	44	0.0	-76.45	370.15	10.85	-65.60
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC2)S1	REAL300005631909	0	48	0.0	-78.70	385.07	11.39	-67.31
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)CC2)S1	REAL300005631917	0	51	0.0	-74.51	401.93	12.12	-62.39
C[NH+](C)CC1(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005631923	0	41	0.0	-67.54	331.34	8.69	-58.85
C[NH+](C)CCCCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005631932	0	43	0.0	-76.62	348.09	9.27	-67.35
CC(C)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+](C)C	REAL300005631941	0	43	0.0	-69.72	324.08	8.58	-61.14
O=C([O-])C1=CC2=C(CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)CC2)S1	REAL300005631954	0	51	0.0	-72.38	399.05	12.14	-60.24
O=C([O-])C1=CC2=C(CN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)CC2)S1	REAL300005631954	1	51	0.0	-74.74	392.06	11.89	-62.85
CC1=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=NN1C1=CC=[NH+]C=C1	REAL300005631956	1	42	0.0	-81.94	355.51	8.60	-73.34
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)CC2)S1	REAL300005631964	0	51	0.0	-79.50	401.84	12.10	-67.40
O=C([O-])C1=CC2=C(CN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC2)S1	REAL300005631978	1	44	0.0	-80.18	364.15	9.55	-70.63
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=C1	REAL300005631979	0	47	0.0	-79.75	382.76	11.09	-68.66
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005631991	1	40	0.0	-67.39	333.95	7.71	-59.68
O=C([O-])C1=CC2=C(CN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)CC2)S1	REAL300005631993	1	49	0.0	-85.40	392.15	10.88	-74.52
O=C([O-])C1=CC2=C(CN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)CC2)S1	REAL300005631993	1	49	0.0	-75.58	393.27	10.93	-64.65
C[N@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1CCC1	REAL300005632024	0	41	0.0	-72.64	328.80	9.04	-63.60
C[N@@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1CCC1	REAL300005632024	1	41	0.0	-72.40	328.87	9.03	-63.37
CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+]1CCSCC1	REAL300005632048	1	42	0.0	-73.72	333.89	8.72	-65.00
C[N@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)CC(C)(C)C	REAL300005632054	0	46	0.0	-74.64	350.56	9.48	-65.16
C[N@@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)CC(C)(C)C	REAL300005632054	1	46	0.0	-74.00	352.48	9.62	-64.38
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632056	0	47	0.0	-78.95	381.83	11.49	-67.46
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632056	1	47	0.0	-79.12	381.83	11.49	-67.63
COCCOCC[N@H+](C)CCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632057	0	51	0.0	-76.46	410.83	7.75	-68.71
COCCOCC[N@@H+](C)CCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632057	1	51	0.0	-78.24	410.88	7.75	-70.49
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005632062	0	45	0.0	-74.18	350.18	7.55	-66.63
C[N@H+]1CCCC(O)(CC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005632062	1	45	0.0	-74.86	340.43	7.34	-67.52
O=C([O-])C1=CC2=C(CN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)CC2)S1	REAL300005632083	1	50	0.0	-76.43	394.54	10.43	-66.00
O=C([O-])C1=CC2=C(CN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)CC2)S1	REAL300005632083	1	50	0.0	-72.46	394.78	10.46	-62.00
CCCCCC[N@H+](C)CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632086	0	49	0.0	-76.14	386.42	10.81	-65.33
CCCCCC[N@@H+](C)CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632086	1	49	0.0	-76.02	386.42	10.81	-65.21
O=C([O-])C1=CC2=C(CN(C(=O)C34CCC[NH+]3CCC4)CC2)S1	REAL300005632096	0	42	0.0	-69.50	320.82	8.42	-61.08
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)S1	REAL300005632104	1	36	0.0	-79.23	311.73	10.24	-68.99
C[N@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1CCSC1	REAL300005632120	0	42	0.0	-81.16	342.22	9.31	-71.85
C[N@@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1CCSC1	REAL300005632120	1	42	0.0	-79.11	341.99	9.32	-69.79
CC(C)[NH+]1CCN(CCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005632137	0	52	0.0	-74.18	398.04	8.29	-65.89
CC(C)N1CC[NH+](CCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005632137	1	52	0.0	-76.76	394.55	8.09	-68.67
CC(C)[NH+]1CCN(CCCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005632138	0	55	0.0	-72.25	419.57	9.11	-63.14
CC(C)N1CC[NH+](CCCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005632138	1	55	0.0	-76.63	416.05	8.89	-67.74
O=C([O-])C1=CC2=C(CN(C(=O)C3CCCC4CCC[N@@H+]43)CC2)S1	REAL300005632139	0	45	0.0	-68.86	335.28	9.14	-59.72
O=C([O-])C1=CC2=C(CN(C(=O)C3CCCC4CCC[N@H+]43)CC2)S1	REAL300005632139	1	45	0.0	-71.60	338.59	9.52	-62.08
C[NH+](C)CCN1C=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=N1	REAL300005632141	0	44	0.0	-83.85	363.33	8.21	-75.64
O=C([O-])C1=CC2=C(CN(C(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)CC2)S1	REAL300005632150	0	53	0.0	-81.65	415.50	10.47	-71.18
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)CC2)S1	REAL300005632153	0	50	0.0	-79.61	394.26	10.22	-69.39
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)CC2)S1	REAL300005632153	1	50	0.0	-81.99	398.36	10.40	-71.59
CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005632158	1	48	0.0	-78.62	375.96	11.37	-67.25
CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[N@H+]1CCC2=CC=CC=C2C1	REAL300005632158	1	48	0.0	-74.29	373.47	11.29	-63.00
CCCC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+](C)C	REAL300005632179	0	43	0.0	-74.68	334.40	8.88	-65.80
O=C([O-])C1=CC2=C(CN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005632181	0	51	0.0	-79.04	405.83	12.26	-66.78
O=C([O-])C1=CC2=C(CN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005632181	1	51	0.0	-79.59	408.30	12.36	-67.23
C[NH+](C)CCN1C=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=N1	REAL300005632196	0	44	0.0	-82.73	364.23	8.91	-73.82
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632197	0	44	0.0	-72.59	358.95	8.27	-64.32
C[C@@H]1[C@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC[N@@H+]1C	REAL300005632203	0	41	0.0	-73.61	318.92	8.39	-65.22
C[C@@H]1[C@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC[N@H+]1C	REAL300005632203	1	41	0.0	-73.84	323.87	8.28	-65.56
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632205	1	45	0.0	-68.69	368.65	10.33	-58.36
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC[N@@H+]1C	REAL300005632208	0	44	0.0	-74.41	340.65	8.73	-65.68
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC[N@H+]1C	REAL300005632208	1	44	0.0	-73.52	347.80	9.32	-64.20
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=NN1	REAL300005632211	1	45	0.0	-80.70	365.73	8.44	-72.26
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=NN1	REAL300005632211	1	45	0.0	-79.56	366.09	8.42	-71.14
CC1C[N@H+](C)CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)O1	REAL300005632220	1	42	0.0	-85.45	329.45	7.64	-77.81
CC1C[N@@H+](C)CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)O1	REAL300005632220	1	42	0.0	-85.00	336.68	8.06	-76.94
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)CC2)S1	REAL300005632226	1	47	0.0	-68.14	375.96	9.57	-58.57
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)CC2)S1	REAL300005632226	1	47	0.0	-69.96	374.60	9.36	-60.60
CC1=[NH+]C=CN1CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632230	1	36	0.0	-71.65	311.09	8.64	-63.01
CC(C[NH+]1CCOCC1)C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632232	0	45	0.0	-76.27	349.52	7.54	-68.73
CC1CC[NH+](CC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005632247	0	44	0.0	-74.95	345.63	9.54	-65.41
CC[N@@H+]1CCOC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005632260	1	42	0.0	-82.59	326.86	7.83	-74.76
CC[N@H+]1CCOC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005632260	1	42	0.0	-78.78	326.30	7.78	-71.00
O=C([O-])C1=CC2=C(CN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)CC2)S1	REAL300005632299	0	51	0.0	-73.78	384.72	10.87	-62.91
O=C([O-])C1=CC2=C(CN(C(=O)C3CC[N@H+](C4CCCCC4)C3)CC2)S1	REAL300005632299	1	51	0.0	-75.91	384.71	10.80	-65.11
C[N@@H+]1CCCC1CCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632306	0	44	0.0	-74.93	344.50	9.15	-65.78
C[N@H+]1CCCC1CCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632306	1	44	0.0	-73.90	344.69	9.16	-64.74
O=C([O-])C1=CC2=C(CN(C(=O)C34CCC[NH+](CCC3)C4)CC2)S1	REAL300005632319	0	45	0.0	-82.69	330.58	8.75	-73.94
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632321	0	42	0.0	-72.70	322.24	4.43	-68.27
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632321	1	42	0.0	-69.69	319.22	4.68	-65.01
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)S1	REAL300005632322	0	45	0.0	-68.32	342.04	9.54	-58.78
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC4CCCC[N@H+]43)CC2)S1	REAL300005632322	1	45	0.0	-70.64	342.55	9.53	-61.11
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632329	0	48	0.0	-75.34	354.94	7.69	-67.65
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=N1	REAL300005632334	0	51	0.0	-86.64	402.23	9.63	-77.01
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=N1	REAL300005632334	1	51	0.0	-80.72	407.85	9.81	-70.91
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)=C2)CC1	REAL300005632338	0	53	0.0	-73.02	418.97	9.68	-63.34
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)C=C2)CC1	REAL300005632339	0	53	0.0	-77.76	418.88	9.67	-68.09
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)C=C2)CC1	REAL300005632339	1	53	0.0	-80.29	418.34	9.54	-70.75
CC(C)[NH+]1CCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005632348	0	47	0.0	-76.35	357.10	9.64	-66.71
O=C([O-])C1=CC2=C(CN(C(=O)C34CC[NH+](CC3)C4)CC2)S1	REAL300005632429	0	39	0.0	-77.04	306.83	7.32	-69.72
O=C([O-])C1=CC2=C(CN(C(=O)C34CC[N@H+](C3)CCC4)CC2)S1	REAL300005632439	0	42	0.0	-79.64	314.37	7.86	-71.78
O=C([O-])C1=CC2=C(CN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)S1	REAL300005632439	1	42	0.0	-74.24	316.05	7.92	-66.32
CC1CCC(C)[NH+]1CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632488	0	44	0.0	-70.17	339.43	8.92	-61.25
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=C1	REAL300005632489	0	44	0.0	-75.96	360.42	10.26	-65.70
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005632490	0	51	0.0	-75.22	399.35	11.99	-63.23
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005632490	1	51	0.0	-73.08	393.21	12.16	-60.92
C[NH+](C)C1(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CCC1	REAL300005632530	0	41	0.0	-68.78	312.02	8.02	-60.76
C#CC[NH+]1CCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005632563	0	43	0.0	-79.36	347.44	9.61	-69.75
CCC[N@@H+]1CCCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632565	0	47	0.0	-73.02	354.37	9.75	-63.27
CCC[N@H+]1CCCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632565	1	47	0.0	-69.94	350.81	9.54	-60.40
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632566	0	44	0.0	-62.23	357.99	10.27	-51.96
CC[NH+]1CCN(CCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005632568	0	49	0.0	-75.74	381.31	7.78	-67.96
CCN1CC[NH+](CCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005632568	1	49	0.0	-76.80	381.30	7.78	-69.02
CC(C)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+]1CCCCC1	REAL300005632570	0	50	0.0	-66.22	367.29	10.40	-55.82
C[NH+](C)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1=CC=CC=C1	REAL300005632571	1	44	0.0	-68.08	350.97	10.27	-57.81
O=C([O-])C1=CC2=C(CN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005632575	0	49	0.0	-71.24	393.47	8.47	-62.77
O=C([O-])C1=CC2=C(CN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)CC2)S1	REAL300005632575	1	49	0.0	-77.96	389.93	8.49	-69.47
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632581	1	45	0.0	-68.30	368.14	10.27	-58.03
C[NH+](C)CC1=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)OC2=CC=CC=C21	REAL300005632582	0	47	0.0	-71.25	385.52	11.05	-60.20
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)S1	REAL300005632587	0	48	0.0	-68.83	353.95	10.31	-58.52
O=C([O-])C1=CC2=C(CN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)S1	REAL300005632587	1	48	0.0	-69.46	362.19	10.28	-59.18
CC[N@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1CC1	REAL300005632589	0	41	0.0	-73.06	323.79	8.64	-64.42
CC[N@@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)C1CC1	REAL300005632589	1	41	0.0	-72.80	324.04	8.97	-63.83
CC(C)C(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+]1CC(C)OC(C)C1	REAL300005632618	1	54	0.0	-72.34	402.29	9.57	-62.77
CC(C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+]1CCCCCC1	REAL300005632619	0	47	0.0	-69.35	350.40	9.51	-59.84
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)=CC=C1N2	REAL300005632661	1	49	0.0	-79.60	395.34	10.63	-68.97
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)=CC=C1N2	REAL300005632661	1	49	0.0	-84.00	394.30	10.59	-73.41
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)O1	REAL300005632712	0	47	0.0	-76.41	380.15	10.36	-66.05
O=C([O-])C1=CC2=C(CN(C(=O)CCCC[NH+]3CCCC3)CC2)S1	REAL300005632713	0	47	0.0	-75.19	374.02	10.43	-64.76
CC1=CC=C(N2CCC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)CC2)[NH+]=C1	REAL300005632715	1	50	0.0	-77.54	395.78	10.03	-67.51
C[N@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)CC1=CC=CC=C1	REAL300005632716	1	44	0.0	-78.90	359.35	10.65	-68.25
C[N@@H+](CC(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)CC1=CC=CC=C1	REAL300005632716	1	44	0.0	-78.71	359.35	10.65	-68.06
CC(C)[C@@H](C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2)[NH+](C)C	REAL300005632727	0	43	0.0	-70.58	325.49	8.76	-61.82
O=C([O-])C1=CC2=C(CN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)S1	REAL300005632745	1	39	0.0	-81.28	338.22	8.15	-73.13
C[NH+](C)CC1=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=NO1	REAL300005632775	1	40	0.0	-81.83	338.05	8.35	-73.48
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632779	0	51	0.0	-77.30	402.95	12.20	-65.10
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632779	1	51	0.0	-77.74	403.11	12.22	-65.52
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632795	0	44	0.0	-69.03	338.31	9.00	-60.03
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005632795	1	44	0.0	-67.55	329.23	9.22	-58.33
C[NH+]1CCC(OCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005632821	0	45	0.0	-80.17	362.68	9.25	-70.92
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)CC2)S1	REAL300005632826	0	48	0.0	-77.77	385.08	10.75	-67.02
CCC[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005633020	0	47	0.0	-76.49	366.01	9.99	-66.50
CCC[N@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005633020	1	47	0.0	-73.61	362.00	9.82	-63.79
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005633052	0	47	0.0	-70.06	363.53	10.05	-60.01
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005633052	1	47	0.0	-69.35	345.90	10.04	-59.31
O=C([O-])C1=CC2=C(CN(C(=O)C[NH+]3CCC(CO)CC3)CC2)S1	REAL300005633053	1	45	0.0	-76.33	356.46	6.23	-70.10
O=C([O-])C1=CC2=C(CN(C(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)CC2)S1	REAL300005633160	0	52	0.0	-71.45	407.31	12.31	-59.14
O=C([O-])C1=CC2=C(CN(C(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)CC2)S1	REAL300005633160	1	52	0.0	-86.52	408.42	12.26	-74.26
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005633291	0	47	0.0	-69.03	350.97	9.78	-59.25
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005633291	1	47	0.0	-71.82	357.06	9.58	-62.24
C[N@@H+]1CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C(C(F)(F)F)C1	REAL300005633292	0	41	0.0	-82.91	331.40	8.81	-74.10
C[N@H+]1CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C(C(F)(F)F)C1	REAL300005633292	1	41	0.0	-86.80	343.17	8.63	-78.17
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)N1	REAL300005633318	1	42	0.0	-69.47	353.87	8.44	-61.03
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=C1	REAL300005633815	0	47	0.0	-75.09	382.86	11.08	-64.01
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=C1	REAL300005633822	0	48	0.0	-79.19	389.73	10.02	-69.17
O=C([O-])C1=CC2=C(CN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)CC2)S1	REAL300005633919	0	54	0.0	-76.85	422.43	13.07	-63.78
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005633965	0	41	0.0	-72.86	331.53	8.80	-64.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)CC1	REAL300005633969	0	47	0.0	-76.01	351.61	9.57	-66.44
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)=CN21	REAL300005633973	0	39	0.0	-72.22	338.83	10.21	-62.01
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005634039	0	50	0.0	-75.90	383.23	10.70	-65.20
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005634039	1	50	0.0	-73.11	379.39	10.50	-62.61
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005634040	0	44	0.0	-69.68	334.35	9.26	-60.42
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005634040	1	44	0.0	-71.45	335.49	9.41	-62.04
C[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005634044	0	41	0.0	-77.75	326.84	8.59	-69.16
C[N@H+]1CCCC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005634044	1	41	0.0	-78.10	317.52	8.47	-69.63
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)O1	REAL300005634046	1	41	0.0	-78.66	344.11	8.89	-69.77
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005634052	0	50	0.0	-82.53	358.64	9.11	-73.42
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C1	REAL300005634052	1	50	0.0	-77.11	360.03	9.21	-67.90
O=C([O-])C1=CC2=C(CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2)S1	REAL300005634055	0	43	0.0	-66.78	342.94	9.53	-57.25
O=C([O-])C1=CC2=C(CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2)S1	REAL300005634055	1	43	0.0	-70.81	334.58	10.40	-60.41
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300005634102	0	43	0.0	-45.84	337.59	8.10	-37.74
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300005634102	1	43	0.0	-48.09	343.79	8.12	-39.97
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=NC=C2Cl)C1	REAL300005634176	0	39	0.0	-50.03	326.43	6.07	-43.96
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=NC=C2Cl)C1	REAL300005634176	1	39	0.0	-47.05	320.23	6.05	-41.00
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@@H](O)CC2=CC=CC=C2)C1	REAL300005634272	0	47	0.0	-48.22	363.65	5.66	-42.56
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@@H](O)CC2=CC=CC=C2)C1	REAL300005634272	1	47	0.0	-50.04	369.85	5.68	-44.36
CC(C)(C)C1=NOC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005634432	0	48	0.0	-48.45	368.06	7.43	-41.02
CC(C)(C)C1=NOC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005634432	1	48	0.0	-52.00	374.27	7.45	-44.55
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=NC(=O)C3=C(C=CS3)N2)C2CC2)C1	REAL300005634536	0	49	0.0	-61.23	398.09	8.06	-53.17
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=NC(=O)C3=C(C=CS3)N2)C2CC2)C1	REAL300005634536	1	49	0.0	-65.14	392.70	8.90	-56.24
COCC1=C(C)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005634623	0	47	0.0	-49.43	358.42	7.74	-41.69
COCC1=C(C)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005634623	1	47	0.0	-49.53	353.59	7.78	-41.75
C[NH+]1CCN(C2=CC=C(NC(=O)CC(C)(C)CC(=O)[O-])C(OC(F)F)=C2)CC1	REAL300005634657	0	55	0.0	-76.99	407.88	7.27	-69.72
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C(OC(F)F)=C2)CC1	REAL300005634658	0	53	0.0	-81.32	405.92	7.42	-73.90
C[NH+]1CCN(C2=CC=C(NC(=O)CC(C)(C)CC(=O)[O-])C(OC(F)F)=C2)CC1	REAL300005634659	0	55	0.0	-76.99	407.88	7.27	-69.72
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC(=O)[O-])C(OC(F)F)=C2)CC1	REAL300005634660	0	49	0.0	-80.49	385.53	6.45	-74.04
CC(CC(=O)[O-])CC(=O)NC1=CC=C(N2CC[NH+](C)CC2)C=C1OC(F)F	REAL300005634661	0	52	0.0	-79.03	398.14	6.89	-72.14
C[NH+]1CCN(C2=CC=C(NC(=O)COCC(=O)[O-])C(OC(F)F)=C2)CC1	REAL300005634662	0	47	0.0	-82.64	377.66	5.60	-77.04
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C(OC(F)F)=C2)CC1	REAL300005634663	0	53	0.0	-81.32	405.92	7.42	-73.90
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])C(OC(F)F)=C2)CC1	REAL300005634664	0	50	0.0	-85.62	385.23	7.65	-77.97
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])C(OC(F)F)=C2)CC1	REAL300005634665	0	50	0.0	-85.62	385.23	7.65	-77.97
CC(C)C(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C=C1OC(F)F	REAL300005634666	0	52	0.0	-71.97	399.71	6.84	-65.13
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C(OC(F)F)=C2)CC1	REAL300005634667	0	50	0.0	-81.65	391.70	6.85	-74.80
C[NH+]1CCN(C2=CC=C(NC(=O)C3CC(C)(C(=O)[O-])C3)C(OC(F)F)=C2)CC1	REAL300005634668	0	53	0.0	-74.01	407.85	7.26	-66.75
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C(=O)[O-])=NN3)C(OC(F)F)=C2)CC1	REAL300005634669	0	47	0.0	-81.84	383.47	4.26	-77.58
CCCC(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C=C1OC(F)F	REAL300005634670	0	52	0.0	-70.48	400.45	7.05	-63.43
C[NH+]1CCN(C2=CC=C(NC(=O)CC3(CC(=O)[O-])CC3)C(OC(F)F)=C2)CC1	REAL300005634671	0	53	0.0	-74.26	409.37	7.59	-66.67
COC(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](C)CC2)C=C1OC(F)F	REAL300005634672	0	47	0.0	-73.85	373.88	5.45	-68.40
C[NH+]1CCN(C2=CC=C(NC(=O)[C@@]3(C)C[C@H]3C(=O)[O-])C(OC(F)F)=C2)CC1	REAL300005634673	0	50	0.0	-85.48	389.22	7.81	-77.67
C[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)C(OC(F)F)=C2)CC1	REAL300005634674	0	53	0.0	-73.45	403.56	7.66	-65.79
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3(CCCC3)C2)C1	REAL300005634742	0	53	0.0	-47.08	370.16	9.22	-37.86
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3(CCCC3)C2)C1	REAL300005634742	1	53	0.0	-46.72	376.17	9.21	-37.51
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC[C@@H]2CC2=CC=CS2)C1	REAL300005634849	0	47	0.0	-43.97	359.50	9.75	-34.22
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC[C@@H]2CC2=CC=CS2)C1	REAL300005634849	1	47	0.0	-47.81	361.03	10.23	-37.58
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C=C1	REAL300005634899	1	55	0.0	-81.44	415.30	11.30	-70.14
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C=C1	REAL300005634899	1	55	0.0	-81.66	413.93	11.26	-70.40
O=C([O-])C1=CC=CC(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)=C1	REAL300005634900	1	55	0.0	-74.81	415.40	11.26	-63.55
O=C([O-])C1=CC=CC(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)=C1	REAL300005634900	1	55	0.0	-84.78	415.22	11.24	-73.54
O=C([O-])C1=CC=CC(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)=N1	REAL300005634901	1	54	0.0	-70.84	409.06	10.32	-60.52
O=C([O-])C1=CC=CC(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)=N1	REAL300005634901	1	54	0.0	-71.78	410.01	10.34	-61.44
O=C([O-])C1=CC(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)=CC=N1	REAL300005634902	1	54	0.0	-87.45	411.12	9.50	-77.95
O=C([O-])C1=CC(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)=CC=N1	REAL300005634902	1	54	0.0	-92.47	409.47	9.49	-82.98
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)O1	REAL300005634903	1	52	0.0	-61.35	398.43	9.99	-51.36
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)O1	REAL300005634903	1	52	0.0	-74.10	398.47	10.02	-64.08
O=C([O-])C1(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)CC1	REAL300005634904	1	52	0.0	-73.51	388.50	9.83	-63.68
O=C([O-])C1(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)CC1	REAL300005634904	1	52	0.0	-63.99	386.59	9.81	-54.18
O=C([O-])C1(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)CC1	REAL300005634905	1	52	0.0	-73.51	388.50	9.83	-63.68
O=C([O-])C1(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)CC1	REAL300005634905	1	52	0.0	-63.99	386.59	9.81	-54.18
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C=N1	REAL300005634906	1	54	0.0	-82.53	410.99	9.42	-73.11
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C=N1	REAL300005634906	1	54	0.0	-82.47	410.03	9.40	-73.07
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)N=C1	REAL300005634907	1	54	0.0	-71.96	409.54	10.27	-61.69
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)N=C1	REAL300005634907	1	54	0.0	-72.06	409.50	10.26	-61.80
CC(C)(CC(=O)[O-])CC(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634908	1	60	0.0	-75.25	423.68	11.02	-64.23
CC(C)(CC(=O)[O-])CC(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634908	1	60	0.0	-75.24	423.72	11.03	-64.21
O=C([O-])C1=CN=C(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C=N1	REAL300005634909	1	53	0.0	-74.51	405.10	8.41	-66.10
O=C([O-])C1=CN=C(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C=N1	REAL300005634909	1	53	0.0	-74.08	403.83	8.46	-65.62
O=C([O-])C1=CN(CC(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)N=N1	REAL300005634910	1	54	0.0	-86.66	416.36	8.19	-78.47
O=C([O-])C1=CN(CC(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)N=N1	REAL300005634910	1	54	0.0	-86.43	416.42	8.21	-78.22
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C=C1	REAL300005634911	1	55	0.0	-81.44	415.30	11.30	-70.14
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C=C1	REAL300005634911	1	55	0.0	-81.66	413.93	11.26	-70.40
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C1	REAL300005634912	1	58	0.0	-85.57	419.36	11.00	-74.57
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C1	REAL300005634912	1	58	0.0	-93.87	421.07	11.13	-82.74
O=C([O-])CC1=C(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C=CO1	REAL300005634913	1	55	0.0	-81.07	419.13	10.29	-70.78
O=C([O-])CC1=C(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C=CO1	REAL300005634913	1	55	0.0	-78.40	415.07	10.28	-68.12
O=C([O-])C1=CC=NC(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)=C1	REAL300005634914	1	54	0.0	-84.29	409.95	10.35	-73.94
O=C([O-])C1=CC=NC(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)=C1	REAL300005634914	1	54	0.0	-83.31	408.30	10.37	-72.94
O=C([O-])C12CC(C(=O)N3CCCC4(C3)C[N@H+](CC3=CC=CC=C3)CCO4)(C1)C2	REAL300005634915	1	56	0.0	-77.69	412.65	10.92	-66.77
O=C([O-])C12CC(C(=O)N3CCCC4(C3)C[N@@H+](CC3=CC=CC=C3)CCO4)(C1)C2	REAL300005634915	1	56	0.0	-80.11	413.01	10.96	-69.15
O=C([O-])C1(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)CCC1	REAL300005634916	1	55	0.0	-71.08	396.97	10.04	-61.04
O=C([O-])C1(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)CCC1	REAL300005634916	1	55	0.0	-63.02	397.34	10.14	-52.88
CC(C)(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634917	1	54	0.0	-80.00	384.65	10.17	-69.83
CC(C)(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634917	1	54	0.0	-80.83	384.67	10.13	-70.70
CC(C)(CC(=O)[O-])CC(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634918	1	60	0.0	-75.25	423.68	11.02	-64.23
CC(C)(CC(=O)[O-])CC(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634918	1	60	0.0	-75.24	423.72	11.03	-64.21
O=C([O-])CCCC(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634919	1	54	0.0	-82.33	401.61	10.23	-72.10
O=C([O-])CCCC(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634919	1	54	0.0	-77.99	401.38	10.20	-67.79
CC(CC(=O)[O-])CC(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634920	1	57	0.0	-76.97	413.93	10.65	-66.32
CC(CC(=O)[O-])CC(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634920	1	57	0.0	-80.90	414.29	10.70	-70.20
O=C([O-])C1=CC(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)=NO1	REAL300005634921	1	51	0.0	-71.12	391.84	9.40	-61.72
O=C([O-])C1=CC(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)=NO1	REAL300005634921	1	51	0.0	-71.06	392.54	9.39	-61.67
O=C([O-])C1(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)CCCC1	REAL300005634922	1	58	0.0	-70.60	409.64	10.65	-59.95
O=C([O-])C1(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)CCCC1	REAL300005634922	1	58	0.0	-67.25	410.74	10.64	-56.61
CC1=C(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C=C(C(=O)[O-])O1	REAL300005634923	1	55	0.0	-78.72	418.65	10.56	-68.16
CC1=C(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C=C(C(=O)[O-])O1	REAL300005634923	1	55	0.0	-77.32	418.53	10.52	-66.80
CC1=C(C(=O)[O-])OC(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)=C1	REAL300005634924	1	55	0.0	-73.21	415.29	10.53	-62.68
CC1=C(C(=O)[O-])OC(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)=C1	REAL300005634924	1	55	0.0	-53.01	412.97	10.47	-42.54
O=C([O-])C1=CN(CC(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)N=C1	REAL300005634925	1	55	0.0	-83.38	421.30	9.69	-73.69
O=C([O-])C1=CN(CC(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)N=C1	REAL300005634925	1	55	0.0	-83.14	421.28	9.70	-73.44
O=C([O-])CSCCC(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634926	1	55	0.0	-77.76	424.64	10.82	-66.94
O=C([O-])CSCCC(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634926	1	55	0.0	-75.07	424.41	10.79	-64.28
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)N=C1	REAL300005634927	1	54	0.0	-71.96	409.54	10.27	-61.69
O=C([O-])C1=CC=C(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)N=C1	REAL300005634927	1	54	0.0	-72.06	409.50	10.26	-61.80
O=C([O-])COCC(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634928	1	52	0.0	-80.54	393.46	9.46	-71.08
O=C([O-])COCC(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634928	1	52	0.0	-85.16	393.81	9.51	-75.65
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634929	1	55	0.0	-81.06	414.59	8.91	-72.15
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634929	1	55	0.0	-81.07	413.30	8.94	-72.13
CC(C)(CCC(=O)[O-])C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634930	1	60	0.0	-80.23	423.65	10.58	-69.65
CC(C)(CCC(=O)[O-])C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634930	1	60	0.0	-80.41	423.61	10.54	-69.87
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C1	REAL300005634931	1	58	0.0	-85.57	419.36	11.00	-74.57
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C1	REAL300005634931	1	58	0.0	-93.87	421.07	11.13	-82.74
O=C([O-])C1=CN=CC(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)=C1	REAL300005634932	1	54	0.0	-71.54	410.39	9.49	-62.05
O=C([O-])C1=CN=CC(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)=C1	REAL300005634932	1	54	0.0	-82.92	409.25	9.39	-73.53
O=C([O-])C1=NN(CC(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C=C1	REAL300005634933	1	55	0.0	-92.28	420.66	9.72	-82.56
O=C([O-])C1=NN(CC(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C=C1	REAL300005634933	1	55	0.0	-91.69	420.64	9.73	-81.96
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634934	1	55	0.0	-85.78	400.52	11.25	-74.53
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634934	1	55	0.0	-65.15	398.63	10.30	-54.85
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634935	1	55	0.0	-85.78	400.52	11.25	-74.53
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634935	1	55	0.0	-65.15	398.63	10.30	-54.85
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634936	1	52	0.0	-80.63	385.89	10.96	-69.67
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634936	1	52	0.0	-78.92	387.35	10.51	-68.41
CC1=C(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)OC(C(=O)[O-])=C1	REAL300005634937	1	55	0.0	-73.47	415.45	10.63	-62.84
CC1=C(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)OC(C(=O)[O-])=C1	REAL300005634937	1	55	0.0	-53.43	413.24	10.58	-42.85
CCC(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634938	1	54	0.0	-69.92	395.33	9.85	-60.07
CCC(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634938	1	54	0.0	-70.20	398.24	9.91	-60.29
CC(C)C(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634939	1	57	0.0	-69.48	410.87	10.41	-59.07
CC(C)C(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634939	1	57	0.0	-69.47	410.84	10.40	-59.07
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634940	1	52	0.0	-79.13	390.61	10.12	-69.01
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634940	1	52	0.0	-79.83	390.49	10.12	-69.71
O=C([O-])C1CC12CC(C(=O)N1CCCC3(C1)C[N@H+](CC1=CC=CC=C1)CCO3)C2	REAL300005634941	1	59	0.0	-73.46	436.39	11.89	-61.57
O=C([O-])C1CC12CC(C(=O)N1CCCC3(C1)C[N@@H+](CC1=CC=CC=C1)CCO3)C2	REAL300005634941	1	59	0.0	-76.19	437.29	11.92	-64.27
O=C([O-])[C@H]1C[C@@H](C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C1	REAL300005634942	1	55	0.0	-79.15	405.37	10.51	-68.64
O=C([O-])[C@H]1C[C@@H](C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C1	REAL300005634942	1	55	0.0	-78.87	405.78	10.53	-68.34
CC1(C(=O)[O-])CC(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C1	REAL300005634943	1	58	0.0	-79.60	425.49	11.00	-68.60
CC1(C(=O)[O-])CC(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C1	REAL300005634943	1	58	0.0	-84.01	425.68	11.02	-72.99
CCCC(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634945	1	57	0.0	-70.25	416.86	10.65	-59.60
CCCC(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634945	1	57	0.0	-67.20	416.50	10.59	-56.61
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634946	1	56	0.0	-79.77	414.73	10.45	-69.32
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634946	1	56	0.0	-82.31	415.85	10.51	-71.80
O=C([O-])C1(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)CC=CC1	REAL300005634947	1	56	0.0	-68.73	400.44	10.49	-58.24
O=C([O-])C1(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)CC=CC1	REAL300005634947	1	56	0.0	-69.34	400.48	10.55	-58.79
O=C([O-])CC1(CC(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)CC1	REAL300005634949	1	58	0.0	-71.20	424.69	11.27	-59.93
O=C([O-])CC1(CC(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)CC1	REAL300005634949	1	58	0.0	-75.01	428.72	11.38	-63.63
COC(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634950	1	52	0.0	-69.70	386.41	8.93	-60.77
COC(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634950	1	52	0.0	-71.21	387.28	8.94	-62.27
C[C@]1(C(=O)N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)C[C@H]1C(=O)[O-]	REAL300005634951	1	55	0.0	-65.10	403.26	10.29	-54.81
C[C@]1(C(=O)N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)C[C@H]1C(=O)[O-]	REAL300005634951	1	55	0.0	-79.39	407.10	10.40	-68.99
CC(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634952	1	51	0.0	-88.33	376.72	10.07	-78.26
CC(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634952	1	51	0.0	-77.18	376.93	10.10	-67.08
CC1CC1(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634953	1	55	0.0	-72.20	403.71	10.51	-61.69
CC1CC1(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634953	1	55	0.0	-75.23	406.80	10.37	-64.86
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634954	1	55	0.0	-82.83	421.41	8.94	-73.89
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634954	1	55	0.0	-78.73	421.47	8.90	-69.83
C=C1CCC1(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634955	1	56	0.0	-72.50	411.45	10.69	-61.81
C=C1CCC1(C(=O)[O-])C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634955	1	56	0.0	-69.44	402.27	10.24	-59.20
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300005634956	1	58	0.0	-76.43	420.72	11.13	-65.30
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300005634956	1	58	0.0	-70.64	420.46	11.09	-59.55
COC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300005635035	0	48	0.0	-51.71	389.20	7.24	-44.47
COC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300005635035	1	48	0.0	-53.10	395.41	7.26	-45.84
CC(C)COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300005635161	0	53	0.0	-47.45	403.46	9.13	-38.32
CC(C)COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300005635161	1	53	0.0	-46.31	401.55	8.68	-37.63
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CO)COCC3CCCCN32)C1	REAL300005635291	0	57	0.0	-48.15	393.69	2.59	-45.56
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(CO)COCC3CCCCN32)C1	REAL300005635291	1	57	0.0	-48.75	403.57	2.10	-46.65
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@H](O)C2=CC=CC=C2)C1	REAL300005635378	0	44	0.0	-48.67	339.45	5.10	-43.57
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@H](O)C2=CC=CC=C2)C1	REAL300005635378	1	44	0.0	-49.80	345.65	5.12	-44.68
C[C@@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CSC2=CC=CC=C12	REAL300005635485	0	46	0.0	-49.80	369.42	9.65	-40.15
C[C@@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CSC2=CC=CC=C12	REAL300005635485	1	46	0.0	-49.70	363.96	9.68	-40.02
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CSC2=CC=CC=C12	REAL300005635615	0	46	0.0	-50.00	369.77	9.68	-40.32
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CSC2=CC=CC=C12	REAL300005635615	1	46	0.0	-48.79	364.31	9.71	-39.08
CO[C@@H]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C[C@H]12	REAL300005635758	0	48	0.0	-47.79	353.51	7.61	-40.18
CO[C@@H]1CC[C@@H]2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C[C@H]12	REAL300005635758	1	48	0.0	-44.10	345.79	7.23	-36.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(Cl)C=C3)CCCC2)C1	REAL300005635790	0	53	0.0	-41.20	380.77	10.83	-30.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CS(C)(=O)=O)=C2)C1	REAL300005635791	0	49	0.0	-65.07	389.89	6.07	-59.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=CC=N3)C=C2)C1	REAL300005635792	0	47	0.0	-55.66	364.25	9.12	-46.54
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005635793	0	47	0.0	-69.20	356.01	8.11	-61.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300005635794	0	46	0.0	-52.37	369.26	9.92	-42.45
CC1=CC(Cl)=CC=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635795	0	47	0.0	-52.39	376.25	10.07	-42.32
CC(OC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635796	0	47	0.0	-77.68	354.37	9.21	-68.47
COC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005635797	0	47	0.0	-53.40	360.04	8.22	-45.18
COC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005635798	0	48	0.0	-54.24	368.94	8.12	-46.12
CC1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005635799	0	47	0.0	-53.22	360.86	9.51	-43.71
COC1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635800	0	48	0.0	-55.68	368.70	8.59	-47.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(C#N)C=C2)C1	REAL300005635801	0	45	0.0	-54.84	360.27	9.24	-45.60
CCOC1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635802	0	51	0.0	-55.65	390.56	9.51	-46.14
CC1=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1Cl	REAL300005635803	0	47	0.0	-52.51	374.89	9.94	-42.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=CC=C2)C1	REAL300005635804	0	50	0.0	-52.58	381.90	9.32	-43.26
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OC(F)F	REAL300005635805	0	52	0.0	-57.20	407.71	8.93	-48.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3O2)C1	REAL300005635806	0	43	0.0	-56.91	334.26	8.65	-48.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Br)S2)C1	REAL300005635807	0	37	0.0	-51.12	316.32	7.59	-43.53
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OC(F)F	REAL300005635808	0	48	0.0	-57.56	374.13	7.39	-50.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300005635809	0	54	0.0	-53.34	416.20	11.18	-42.16
CCOC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005635810	0	50	0.0	-52.86	381.89	9.15	-43.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC(=O)C2=CC=CC=C2)C1	REAL300005635811	0	48	0.0	-57.52	372.16	9.56	-47.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2Cl)C1	REAL300005635812	0	43	0.0	-51.42	344.54	9.36	-42.06
CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005635813	0	47	0.0	-53.09	360.86	9.51	-43.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC(F)=C2)C1	REAL300005635814	0	40	0.0	-49.58	314.54	8.60	-40.98
COC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635815	0	47	0.0	-53.00	358.99	8.29	-44.71
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005635816	0	54	0.0	-56.09	410.69	8.93	-47.16
COC1=CC=CC=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635817	0	50	0.0	-53.21	380.25	9.09	-44.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=COC3=CC4=C(C=C23)CCC4)C1	REAL300005635818	0	53	0.0	-54.52	404.12	11.20	-43.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OC(F)F)C1	REAL300005635819	0	44	0.0	-51.29	340.32	8.35	-42.94
CCOC1=C(Cl)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005635820	0	51	0.0	-52.99	401.07	9.26	-43.73
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(Cl)=C1OC	REAL300005635821	0	48	0.0	-52.99	379.22	8.30	-44.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2S(C)(=O)=O)C1	REAL300005635822	0	46	0.0	-55.58	346.05	7.08	-48.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(F)C=C2)C1	REAL300005635823	0	44	0.0	-52.82	345.86	8.90	-43.92
CC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635824	0	46	0.0	-51.22	347.83	9.48	-41.74
CC(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005635825	0	52	0.0	-51.94	387.69	10.64	-41.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=C2F)C1	REAL300005635826	0	46	0.0	-53.05	357.50	9.77	-43.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3S2)C1	REAL300005635827	0	43	0.0	-49.57	336.23	9.78	-39.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3)=CS2)C1	REAL300005635828	0	47	0.0	-52.86	371.10	10.34	-42.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=C(Cl)C=C2Cl)C1	REAL300005635829	0	40	0.0	-52.52	344.80	9.00	-43.52
COC1=CC=C(C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635830	0	47	0.0	-53.54	356.22	8.12	-45.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC=C2Br)C1	REAL300005635831	0	40	0.0	-52.29	331.12	8.57	-43.72
COC1=CC=C(C2=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CS2)C=C1	REAL300005635832	0	50	0.0	-49.96	393.32	9.35	-40.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C=C2F)C1	REAL300005635833	0	40	0.0	-45.01	320.64	8.96	-36.05
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005635834	0	43	0.0	-51.52	332.00	8.60	-42.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC=CC=C3C2)C1	REAL300005635835	0	48	0.0	-53.70	361.22	8.67	-45.03
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005635836	0	43	0.0	-53.15	332.28	4.62	-48.53
COC1=CC(C#N)=CC=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635837	0	49	0.0	-56.22	389.48	8.99	-47.23
CC1=NN(C)C2=C1C=C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)S2	REAL300005635838	0	46	0.0	-50.63	360.77	8.05	-42.58
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2C1=O	REAL300005635839	0	48	0.0	-52.94	360.88	8.35	-44.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCC3=O)C=C2)C1	REAL300005635840	0	51	0.0	-66.53	381.79	9.01	-57.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Br)O2)C1	REAL300005635841	0	37	0.0	-49.47	302.74	7.47	-42.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=C(F)C=CC=C2Cl)C1	REAL300005635842	0	43	0.0	-52.46	350.07	9.40	-43.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(Cl)=C2Cl)C1	REAL300005635843	0	40	0.0	-52.79	337.38	8.89	-43.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC=C2Cl)C1	REAL300005635844	0	40	0.0	-51.60	337.43	8.89	-42.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(F)C=CC=C2F)C1	REAL300005635845	0	40	0.0	-54.67	322.68	8.17	-46.50
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1OC	REAL300005635846	0	48	0.0	-55.80	365.42	7.52	-48.28
COC1=CC(OC)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005635847	0	48	0.0	-50.32	358.59	7.01	-43.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2Cl)C1	REAL300005635848	0	40	0.0	-45.77	314.46	8.89	-36.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300005635849	0	43	0.0	-45.52	334.19	9.40	-36.12
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005635850	0	44	0.0	-69.38	334.16	7.20	-62.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300005635851	0	40	0.0	-44.89	329.03	9.37	-35.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300005635852	0	44	0.0	-55.78	345.03	7.47	-48.31
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005635853	0	47	0.0	-52.92	360.04	8.22	-44.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC(Br)=C2)C1	REAL300005635854	0	44	0.0	-52.38	360.75	9.45	-42.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C=CC=C2Cl)C1	REAL300005635855	0	40	0.0	-53.23	341.66	8.94	-44.29
COC1=CC=CC(OC)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635856	0	48	0.0	-56.82	368.49	6.77	-50.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(Cl)C=C2)C1	REAL300005635857	0	44	0.0	-52.29	356.18	9.36	-42.93
COC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635858	0	48	0.0	-53.40	367.69	8.80	-44.60
CC1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635859	0	47	0.0	-53.18	359.52	9.54	-43.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2Cl)C1	REAL300005635860	0	44	0.0	-53.36	355.48	9.37	-43.99
CC1=CC(C)=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005635861	0	50	0.0	-53.27	382.27	10.17	-43.10
CC1=CC=C(Cl)C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005635862	0	47	0.0	-53.12	376.89	10.05	-43.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C3CCCC3=C2)C1	REAL300005635863	0	51	0.0	-53.48	384.99	10.75	-42.73
CCCOC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005635864	0	54	0.0	-53.86	412.30	9.85	-44.01
CCOC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005635865	0	51	0.0	-53.45	390.81	9.05	-44.40
CC1=CC=C(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005635866	0	50	0.0	-77.73	375.76	9.87	-67.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=C2Cl)C1	REAL300005635867	0	46	0.0	-52.27	364.56	10.09	-42.18
CC(OC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635868	0	47	0.0	-78.32	360.76	9.27	-69.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(F)C(Cl)=C2)C1	REAL300005635869	0	44	0.0	-54.57	361.91	9.99	-44.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3CC3)=C2)C1	REAL300005635870	0	43	0.0	-51.86	329.14	8.69	-43.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CCOCC2)C1	REAL300005635871	0	54	0.0	-52.59	381.99	8.63	-43.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(F)C=C3)CCOCC2)C1	REAL300005635872	0	54	0.0	-61.18	360.79	8.42	-52.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300005635873	0	54	0.0	-55.86	388.34	8.68	-47.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(Cl)=C3)CCOCC2)C1	REAL300005635874	0	54	0.0	-54.24	398.66	9.12	-45.12
COC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCOCC2)C=C1	REAL300005635875	0	58	0.0	-60.94	383.87	7.65	-53.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3Cl)CCOCC2)C1	REAL300005635876	0	54	0.0	-42.15	382.68	9.34	-32.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CCOCC2)C1	REAL300005635877	0	45	0.0	-55.83	326.99	5.43	-50.40
CC(C)COC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635878	0	49	0.0	-51.20	362.05	8.21	-42.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(F)C=C2)C1	REAL300005635879	0	46	0.0	-52.60	358.34	9.80	-42.80
CC1=CC(=O)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=CC=C1	REAL300005635880	0	52	0.0	-62.55	406.43	9.36	-53.19
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635881	0	57	0.0	-55.87	415.79	11.60	-44.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN(C(=O)C(C)(C)C)C2)C1	REAL300005635882	0	59	0.0	-64.71	409.43	8.60	-56.11
CCOC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635883	0	47	0.0	-48.66	352.43	8.99	-39.67
C=CCC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC)=C1	REAL300005635884	0	55	0.0	-55.34	424.40	10.58	-44.76
CN1C=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC1=O	REAL300005635885	0	43	0.0	-64.53	334.93	6.87	-57.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC=C(C3=CC=CC=C3)O2)C1	REAL300005635886	0	52	0.0	-56.04	407.13	8.21	-47.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CC=C3)C2)C1	REAL300005635887	0	48	0.0	-57.14	366.26	9.19	-47.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NN=C(C3=CSC=C3)O2)C1	REAL300005635888	0	48	0.0	-57.78	393.59	4.59	-53.19
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005635889	0	46	0.0	-50.57	348.24	5.96	-44.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2OCCO3)C1	REAL300005635890	0	46	0.0	-55.72	350.82	7.49	-48.23
CC(C)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005635891	0	49	0.0	-53.09	374.27	6.46	-46.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(C3=CC=C4CCCC4=C3)C2)C1	REAL300005635892	0	58	0.0	-60.14	427.92	10.97	-49.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CN3C=CC=CC3=N2)C1	REAL300005635893	0	46	0.0	-58.23	348.96	9.71	-48.52
COC1=CC=C2OC(C)=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005635894	0	50	0.0	-58.30	388.78	8.56	-49.74
CC1=CC=C(C2=NC(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CS2)O1	REAL300005635895	0	49	0.0	-56.03	390.97	8.95	-47.08
CN1C=C(C2=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CS2)C=N1	REAL300005635896	0	46	0.0	-55.70	368.68	7.80	-47.90
CC1=CC=C(C2=NC(C)=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)S2)O1	REAL300005635897	0	49	0.0	-57.14	394.25	8.37	-48.77
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C(C)C)=N1	REAL300005635898	0	48	0.0	-53.28	374.55	7.76	-45.52
CCCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005635899	0	48	0.0	-53.19	375.27	7.94	-45.25
CCN1N=C(C(C)C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635900	0	52	0.0	-53.97	387.42	8.37	-45.60
CC1=NC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005635901	0	42	0.0	-53.09	328.29	7.00	-46.09
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005635902	0	45	0.0	-53.70	346.99	7.75	-45.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3=NC=CC=N3)=N2)C1	REAL300005635903	0	47	0.0	-58.76	378.24	7.43	-51.33
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2=NC=CC=N2)=N1	REAL300005635904	0	47	0.0	-61.38	381.81	6.80	-54.58
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC(C)=C1C(C)=O	REAL300005635905	0	52	0.0	-56.11	404.35	8.25	-47.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC=CS2)C1	REAL300005635906	0	42	0.0	-53.32	336.72	6.85	-46.47
CC(C)OC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005635907	0	49	0.0	-53.43	389.64	6.93	-46.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC(=O)N2CCC3=C(C=CS3)C2)C1	REAL300005635908	0	54	0.0	-58.73	418.50	9.55	-49.18
CCC1=NC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005635909	0	45	0.0	-52.92	349.77	7.75	-45.17
CC1=CN(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1	REAL300005635910	0	46	0.0	-55.89	354.79	7.58	-48.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C(C)(C)C)S2)C1	REAL300005635911	0	48	0.0	-52.19	372.02	7.56	-44.63
CCOC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005635912	0	46	0.0	-49.36	368.92	6.55	-42.81
COCC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005635913	0	43	0.0	-51.86	339.60	6.00	-45.86
CCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005635914	0	53	0.0	-50.99	391.22	10.02	-40.97
CC1=NN(C(F)F)C(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635915	0	49	0.0	-55.60	381.46	7.77	-47.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCCCC3)N=C2)C1	REAL300005635916	0	57	0.0	-50.46	401.08	9.39	-41.07
CC1=NN(C)C(C)=C1C(=O)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635917	0	48	0.0	-61.18	369.12	7.37	-53.81
CSCC1=NC2=CC=CC=C2N1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635918	0	53	0.0	-56.92	422.34	10.75	-46.17
CC1=CC=CC2=C1N=CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C2=O	REAL300005635919	0	51	0.0	-58.74	396.50	10.24	-48.50
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635920	0	48	0.0	-56.29	373.49	8.97	-47.32
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C12	REAL300005635921	0	51	0.0	-54.60	385.22	7.41	-47.19
CC1=NN(C)C(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635922	0	49	0.0	-55.71	371.41	7.67	-48.04
CC1OC2=CC=CC=C2N(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1=O	REAL300005635923	0	52	0.0	-56.27	397.28	8.32	-47.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(N3CCCC3=O)C=C2)C1	REAL300005635924	0	55	0.0	-62.98	416.99	10.56	-52.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=NC=N3)C=C2)C1	REAL300005635925	0	49	0.0	-59.78	384.45	11.01	-48.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300005635926	0	46	0.0	-50.00	367.81	6.42	-43.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC3=CC=CN=C23)C1	REAL300005635927	0	49	0.0	-55.89	380.15	9.97	-45.92
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C12	REAL300005635928	0	55	0.0	-52.63	410.92	10.05	-42.58
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C12	REAL300005635929	0	51	0.0	-53.19	382.78	8.63	-44.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C(=O)COC3=CC=C(Cl)C=C32)C1	REAL300005635930	0	49	0.0	-55.54	393.75	8.15	-47.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=CC=N3)N=C2)C1	REAL300005635931	0	46	0.0	-52.72	354.54	8.80	-43.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC(N3CCCC3)=NC=C2Cl)C1	REAL300005635932	0	50	0.0	-47.12	377.60	9.57	-37.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CC=CO3)=N2)C1	REAL300005635933	0	43	0.0	-54.93	346.54	8.06	-46.87
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635934	0	45	0.0	-54.84	359.85	7.86	-46.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(C3=CC=CC=C3)C2)C1	REAL300005635935	0	51	0.0	-59.31	382.36	9.06	-50.25
CCC(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005635936	0	53	0.0	-61.45	382.05	7.98	-53.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN(C(=O)C3CC3)C2)C1	REAL300005635937	0	54	0.0	-58.39	397.15	8.70	-49.69
CCS(=O)(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005635938	0	54	0.0	-55.97	407.28	5.60	-50.37
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(=O)C1=CC=CS1	REAL300005635939	0	47	0.0	-48.92	365.83	8.09	-40.83
CC(C)CN1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1=O	REAL300005635940	0	53	0.0	-57.76	388.26	7.98	-49.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSCC2=CC=CN=C2)C1	REAL300005635941	0	46	0.0	-54.11	369.79	8.56	-45.55
CCC(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005635942	0	50	0.0	-58.35	381.31	7.59	-50.76
COC1=CC=C(N2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2=O)C=C1	REAL300005635943	0	55	0.0	-60.20	411.11	8.30	-51.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(C3=CC=C(Cl)C=C3)C2)C1	REAL300005635944	0	51	0.0	-58.30	399.11	9.59	-48.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(CC3=CC=CC=N3)C2)C1	REAL300005635945	0	53	0.0	-58.36	406.94	7.86	-50.50
CCOC1=NC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635946	0	46	0.0	-54.91	355.41	5.84	-49.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=C(C(F)(F)F)C=CC2=O)C1	REAL300005635947	0	46	0.0	-49.41	367.98	8.97	-40.44
CC1=NC2=CC=CC=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005635948	0	48	0.0	-52.46	360.60	9.38	-43.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(CC3=CC=CC=C3)C2)C1	REAL300005635949	0	54	0.0	-59.90	411.97	9.70	-50.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=NC3=CC=CC=C3C2=O)C1	REAL300005635950	0	48	0.0	-59.12	376.33	9.41	-49.71
COC1=CC=CC=C1N1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1=O	REAL300005635951	0	55	0.0	-61.57	419.63	8.73	-52.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(CC3=CC=CO3)C2)C1	REAL300005635952	0	51	0.0	-59.73	392.73	7.82	-51.91
CC1=CC=CC(N2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2=O)=C1C	REAL300005635953	0	57	0.0	-57.99	425.76	10.86	-47.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=NC3=CC=CC=C3S2)C1	REAL300005635954	0	46	0.0	-55.94	384.25	9.11	-46.83
CC1=CC=CC(N2N=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2=O)=C1	REAL300005635955	0	54	0.0	-59.48	408.92	10.25	-49.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2CCCCCC2=O)C1	REAL300005635956	0	50	0.0	-56.92	367.20	7.96	-48.96
CCC1=CC=CC=C1N1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1=O	REAL300005635957	0	57	0.0	-59.15	425.67	10.92	-48.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C(=O)COC3=CC=CC=C32)C1	REAL300005635958	0	49	0.0	-56.52	377.03	7.64	-48.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2CSCC2=O)C1	REAL300005635959	0	42	0.0	-55.31	334.82	6.25	-49.06
CC(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005635960	0	50	0.0	-55.67	366.89	7.20	-48.47
CC1=CC=CC2=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN21	REAL300005635961	0	46	0.0	-55.12	347.75	10.27	-44.85
CC(C1=CC=CC=C1)N1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1=O	REAL300005635962	0	57	0.0	-59.64	423.26	10.55	-49.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(C3CCCC3)C2)C1	REAL300005635963	0	54	0.0	-57.07	389.38	8.39	-48.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(C3CC3)C2)C1	REAL300005635964	0	48	0.0	-58.36	356.89	7.30	-51.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3CCCC3=O)C=C2)C1	REAL300005635965	0	54	0.0	-62.44	413.95	9.70	-52.74
CC(=O)NC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(C)C=C1	REAL300005635966	0	56	0.0	-58.22	431.09	9.24	-48.98
CC1=CC2=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN2C=C1	REAL300005635967	0	46	0.0	-55.70	348.62	10.42	-45.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3=CC=CN=C3)=N2)C1	REAL300005635968	0	48	0.0	-55.19	389.23	8.11	-47.08
CSC1=NC(C)=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=N1	REAL300005635969	0	54	0.0	-57.01	418.77	9.23	-47.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)OC(C)(C)C)C1	REAL300005635970	0	53	0.0	-54.43	397.04	5.68	-48.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C3=CC=CC=C3OCCC2=O)C1	REAL300005635971	0	52	0.0	-58.84	393.47	8.27	-50.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3=CSC=C3)=N2)C1	REAL300005635972	0	46	0.0	-53.02	377.57	9.00	-44.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NN=C(C3=CC=CC=C3)O2)C1	REAL300005635973	0	51	0.0	-58.10	403.47	5.70	-52.40
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC2=C1C(=O)N(C)C=N2	REAL300005635974	0	48	0.0	-61.04	377.05	8.45	-52.59
COC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635975	0	44	0.0	-48.95	330.57	8.07	-40.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CNC3=CC=CC=C23)C1	REAL300005635976	0	47	0.0	-54.02	362.59	8.99	-45.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3C=CC=CC3=N2)C1	REAL300005635977	0	43	0.0	-55.48	327.19	9.78	-45.70
CC1SC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2NC1=O	REAL300005635978	0	49	0.0	-54.01	385.22	7.62	-46.39
CCN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2C1=O	REAL300005635979	0	51	0.0	-52.52	382.68	9.26	-43.26
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CC1=O	REAL300005635980	0	42	0.0	-54.74	325.73	5.52	-49.22
COCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC2=CC=CC=C21	REAL300005635981	0	50	0.0	-58.44	385.92	8.38	-50.06
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005635982	0	49	0.0	-56.29	384.03	6.06	-50.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC=C2F)C1	REAL300005635983	0	40	0.0	-52.81	318.42	8.04	-44.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NOC3=CC=CC=C32)C1	REAL300005635984	0	45	0.0	-57.59	353.89	8.26	-49.33
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=C(N=CN(C)C2=O)O1	REAL300005635985	0	48	0.0	-65.59	379.80	6.53	-59.06
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC1=O	REAL300005635986	0	44	0.0	-54.28	328.83	6.11	-48.17
CC1=NOC2=NC(C)=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C12	REAL300005635987	0	47	0.0	-56.21	357.40	5.99	-50.22
CC(C)N1N=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C21	REAL300005635988	0	51	0.0	-55.71	392.28	8.62	-47.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3OCCC3=C2)C1	REAL300005635989	0	48	0.0	-53.68	366.43	8.77	-44.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)NC3=CC=CC=C32)C1	REAL300005635990	0	48	0.0	-81.90	366.19	7.07	-74.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3N=CC=CN3N=C2)C1	REAL300005635991	0	42	0.0	-74.53	329.17	6.84	-67.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC=CC3=C2)C1	REAL300005635992	0	44	0.0	-50.84	331.03	8.44	-42.40
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)N1	REAL300005635993	0	43	0.0	-56.97	329.43	6.07	-50.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C=CNC3=C2)C1	REAL300005635994	0	44	0.0	-49.19	331.01	8.42	-40.77
CN1N=NC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005635995	0	45	0.0	-60.94	349.34	6.33	-54.61
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CC1=O	REAL300005635996	0	43	0.0	-59.82	329.23	6.66	-53.16
CN1C(=O)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005635997	0	49	0.0	-58.57	371.34	9.30	-49.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CC#N)=C2)C1	REAL300005635998	0	44	0.0	-58.44	347.11	9.04	-49.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2OCO3)C1	REAL300005635999	0	43	0.0	-54.60	332.50	6.61	-47.99
CC(OC1=CC=CC(C#N)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636000	0	48	0.0	-53.68	374.08	9.58	-44.10
CC1=NSC2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C12	REAL300005636001	0	44	0.0	-55.85	346.81	7.14	-48.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(N)=O)C=N2)C1	REAL300005636002	0	43	0.0	-55.58	334.87	3.76	-51.82
CC1=NN=C2C=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN12	REAL300005636003	0	45	0.0	-57.31	341.26	9.46	-47.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(N)=O)S2)C1	REAL300005636004	0	41	0.0	-54.82	332.94	3.73	-51.09
CC1OC2=C(C=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC1=O	REAL300005636005	0	49	0.0	-56.26	378.00	6.09	-50.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CC3)S2)C1	REAL300005636006	0	43	0.0	-51.91	342.66	7.41	-44.50
CCN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CC1=O	REAL300005636007	0	45	0.0	-55.26	347.29	6.42	-48.84
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=CO1	REAL300005636008	0	45	0.0	-55.77	341.39	5.99	-49.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(C3CC3)=N2)C1	REAL300005636009	0	45	0.0	-54.78	347.07	8.42	-46.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NNN=C3C=C2)C1	REAL300005636010	0	42	0.0	-49.89	319.70	5.65	-44.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC=C3)N=N2)C1	REAL300005636011	0	46	0.0	-62.38	360.22	8.18	-54.20
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC)=C1	REAL300005636012	0	48	0.0	-47.67	356.10	7.90	-39.77
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC)=C1	REAL300005636013	0	52	0.0	-53.41	396.41	8.06	-45.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC3=CC=CC=C3S2)C1	REAL300005636014	0	48	0.0	-55.78	383.60	9.16	-46.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=NC3=CC=CC=C3S2)C1	REAL300005636015	0	51	0.0	-55.44	405.10	9.93	-45.51
CC(=O)C1=C(C)NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005636016	0	49	0.0	-49.45	372.15	8.44	-41.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3)C(=O)CC2)C1	REAL300005636017	0	51	0.0	-59.16	387.53	9.58	-49.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3SCC(=O)NC3=C2)C1	REAL300005636018	0	46	0.0	-54.44	365.76	6.90	-47.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)C2=CC=C(Cl)C=C2)C1	REAL300005636019	0	50	0.0	-55.59	403.73	7.88	-47.71
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(OC)=C1C	REAL300005636020	0	51	0.0	-49.92	376.55	7.79	-42.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=C3OCCOC3=C2)C1	REAL300005636021	0	50	0.0	-54.92	393.55	8.58	-46.34
CC(=O)C1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636022	0	49	0.0	-58.18	382.23	9.32	-48.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC(C(F)(F)F)=N2)C1	REAL300005636023	0	43	0.0	-51.90	344.42	7.45	-44.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C3OCCOC3=C2)C1	REAL300005636024	0	50	0.0	-54.49	383.81	8.58	-45.91
CCN1N=NC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005636025	0	48	0.0	-60.82	371.15	7.21	-53.61
CC1OC2=CC=CC=C2OC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636026	0	49	0.0	-51.15	356.28	8.60	-42.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C(S(C)(=O)=O)=C2)C1	REAL300005636027	0	46	0.0	-56.44	375.76	5.81	-50.63
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636028	0	56	0.0	-54.28	437.82	10.22	-44.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC(=O)C3CC3)C=C2)C1	REAL300005636029	0	51	0.0	-62.08	392.92	8.37	-53.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NC(=O)C3CC3)=C2)C1	REAL300005636030	0	51	0.0	-57.49	391.56	8.33	-49.16
COC1=CC=C(OC)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636031	0	48	0.0	-56.06	364.28	6.77	-49.29
CC1=NOC(C)=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636032	0	48	0.0	-55.41	370.34	8.55	-46.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)C2=CC=CS2)C1	REAL300005636033	0	47	0.0	-55.72	379.16	6.38	-49.34
CC1=NOC(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636034	0	45	0.0	-54.42	347.67	7.70	-46.72
CCC1=NOC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636035	0	45	0.0	-52.81	345.64	8.28	-44.53
CN1C=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005636036	0	44	0.0	-57.28	343.00	7.26	-50.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)C2=CSC=C2)C1	REAL300005636037	0	47	0.0	-56.59	378.35	6.28	-50.31
CC(=O)NC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Cl)C=C1	REAL300005636038	0	53	0.0	-57.56	425.88	9.17	-48.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC(C3=CC=CC=C3)=NO2)C1	REAL300005636039	0	51	0.0	-56.93	402.83	8.37	-48.56
CCS(=O)(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005636040	0	54	0.0	-89.20	407.06	5.67	-83.53
CC1=CC=C(C(=O)CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005636041	0	54	0.0	-57.82	410.52	10.76	-47.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300005636042	0	47	0.0	-58.64	375.74	8.07	-50.57
CCC1=CC=C(N2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2=O)C=C1	REAL300005636043	0	57	0.0	-57.76	422.26	10.39	-47.37
CC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005636044	0	42	0.0	-53.04	330.68	6.42	-46.62
CN1C(=O)C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C1=O	REAL300005636045	0	47	0.0	-50.30	364.67	7.63	-42.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(C3=CC=CC=C3Cl)C2)C1	REAL300005636046	0	51	0.0	-59.35	406.37	10.09	-49.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(C3=CC=CC=C3F)C2)C1	REAL300005636047	0	51	0.0	-60.70	396.62	9.40	-51.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2C(=O)COC3=CC=CC=C32)C1	REAL300005636048	0	52	0.0	-57.70	398.03	8.16	-49.54
CC1=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2N=C1C	REAL300005636049	0	50	0.0	-59.70	380.73	7.45	-52.25
CC1OC2=CC=CC=C2N(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1=O	REAL300005636050	0	55	0.0	-57.50	418.37	8.84	-48.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC(C3=CSC=C3)=NO2)C1	REAL300005636051	0	48	0.0	-56.55	393.04	7.26	-49.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC(C3=CC=CS3)=NO2)C1	REAL300005636052	0	48	0.0	-56.92	393.74	7.37	-49.55
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(OC)=C1	REAL300005636053	0	52	0.0	-49.70	392.23	8.54	-41.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300005636054	0	52	0.0	-73.47	400.84	6.37	-67.10
CC(=O)C1=CN(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636055	0	46	0.0	-65.68	350.97	7.78	-57.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=COC(C3=CC=CC=C3)=N2)C1	REAL300005636056	0	49	0.0	-56.21	386.38	7.52	-48.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300005636057	0	49	0.0	-54.63	391.01	8.61	-46.02
CCN1C(=O)N(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005636058	0	53	0.0	-59.65	411.93	10.56	-49.09
COC1=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(C)N=C2C=C1	REAL300005636059	0	52	0.0	-57.68	396.47	8.20	-49.48
CC1=NN(C)C(C)=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636060	0	52	0.0	-56.37	392.79	8.46	-47.91
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636061	0	49	0.0	-60.46	385.30	9.49	-50.97
CC(=O)NC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CS1	REAL300005636062	0	50	0.0	-56.76	400.49	7.54	-49.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=NC=CC=C23)C1	REAL300005636063	0	45	0.0	-55.95	344.24	8.22	-47.73
CC1=CC=C(C2=CN=C(CCC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)O2)C=C1	REAL300005636064	0	55	0.0	-56.00	428.52	8.89	-47.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3CCCS3(=O)=O)=C2)C1	REAL300005636065	0	52	0.0	-65.35	401.44	6.38	-58.97
CC1=NN(C)C(Cl)=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636066	0	47	0.0	-54.78	380.93	8.21	-46.57
CN1C(=O)N(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005636067	0	50	0.0	-59.67	389.67	9.62	-50.05
CC(=O)NC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636068	0	51	0.0	-56.86	395.49	8.33	-48.53
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C2=CC=CS2)O1	REAL300005636069	0	49	0.0	-63.97	390.21	7.17	-56.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C3NC(=O)CCC3=C2)C1	REAL300005636070	0	52	0.0	-57.04	399.29	8.02	-49.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)C(C)(C)C)C1	REAL300005636071	0	52	0.0	-55.36	390.06	6.30	-49.06
CC(C)C1=NOC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005636072	0	50	0.0	-55.02	385.81	6.39	-48.63
COC1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636073	0	48	0.0	-54.41	368.95	8.13	-46.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(CC3=CC=CC=C3)C(=O)CC2)C1	REAL300005636074	0	54	0.0	-53.80	417.21	9.58	-44.22
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)S(=O)(=O)C1=CC=CC=C1	REAL300005636075	0	51	0.0	-57.18	405.84	6.56	-50.62
CC(=O)NC1=CC=C(SC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636076	0	54	0.0	-58.14	426.33	8.87	-49.27
COC1=CC=CC(SCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636077	0	48	0.0	-53.38	378.54	8.74	-44.64
CC1=NC2=CC(F)=CC=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636078	0	48	0.0	-51.98	367.03	9.45	-42.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CN=CO3)C=C2)C1	REAL300005636079	0	46	0.0	-56.39	360.28	6.30	-50.09
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636080	0	52	0.0	-56.66	406.05	6.98	-49.68
CNC(=O)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636081	0	51	0.0	-60.66	395.74	7.71	-52.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(C(=O)NC3CC3)C=C2)C1	REAL300005636082	0	55	0.0	-55.54	427.34	9.42	-46.12
CC1=NN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)CC1	REAL300005636083	0	52	0.0	-56.17	395.26	9.35	-46.82
CN(C)C(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005636084	0	55	0.0	-89.15	392.14	7.27	-81.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1	REAL300005636085	0	59	0.0	-55.79	416.99	8.29	-47.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)C1	REAL300005636086	0	59	0.0	-66.07	418.52	8.49	-57.58
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1S(C)(=O)=O	REAL300005636087	0	49	0.0	-58.76	375.79	5.95	-52.81
CC1=NN2C(=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N=C(C)C=C2C	REAL300005636088	0	51	0.0	-59.57	390.85	9.34	-50.23
CN1C=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005636089	0	46	0.0	-55.68	354.75	7.51	-48.17
CSC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C2C=CC=CN12	REAL300005636090	0	47	0.0	-54.58	370.89	10.21	-44.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3C=CC=C3)=C2)C1	REAL300005636091	0	48	0.0	-53.31	365.71	10.65	-42.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CC=C3)=C2)C1	REAL300005636092	0	46	0.0	-57.11	361.16	9.54	-47.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC(=O)CCC3=C2)C1	REAL300005636093	0	48	0.0	-56.31	365.57	7.09	-49.22
C=CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005636094	0	52	0.0	-54.54	398.71	8.62	-45.92
CC(=O)N1CCC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005636095	0	51	0.0	-59.69	377.88	9.41	-50.28
CN1C=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636096	0	41	0.0	-54.40	328.94	7.95	-46.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC(Cl)=CC=C2Cl)C1	REAL300005636097	0	44	0.0	-52.90	372.21	9.88	-43.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(S(N)(=O)=O)=C2)C1	REAL300005636098	0	42	0.0	-55.77	351.52	1.83	-53.94
C=CCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(OC)=C1OC	REAL300005636099	0	55	0.0	-48.78	410.73	9.58	-39.20
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636100	0	46	0.0	-55.89	371.42	10.44	-45.45
COCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005636101	0	44	0.0	-50.57	336.62	6.63	-43.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300005636102	0	46	0.0	-51.89	369.27	9.93	-41.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2C(=O)NC(=O)C3=CC=CC=C32)C1	REAL300005636103	0	52	0.0	-59.72	402.69	7.27	-52.45
CC(C)=CC1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1(C)C	REAL300005636104	0	53	0.0	-45.73	378.10	10.80	-34.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCN2S(C)(=O)=O)C1	REAL300005636105	0	51	0.0	-55.16	375.15	5.66	-49.50
CC(=O)NC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCCC1	REAL300005636106	0	53	0.0	-53.41	374.95	7.02	-46.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3=CC=CC=C3Cl)N=C2)C1	REAL300005636107	0	50	0.0	-54.30	395.73	10.44	-43.86
COC1=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C	REAL300005636108	0	50	0.0	-53.08	380.12	8.97	-44.11
CNS(=O)(=O)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636109	0	52	0.0	-58.76	415.90	5.58	-53.18
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005636110	0	50	0.0	-55.58	387.66	9.11	-46.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC(Cl)=CC=C2Cl)C1	REAL300005636111	0	44	0.0	-51.75	370.31	10.37	-41.38
CC(C)C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636112	0	55	0.0	-51.57	412.16	11.66	-39.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300005636113	0	44	0.0	-46.65	366.75	10.96	-35.69
COC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636114	0	50	0.0	-53.51	381.44	9.03	-44.48
CC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636115	0	49	0.0	-51.86	373.34	10.40	-41.46
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC=C1	REAL300005636116	0	50	0.0	-64.69	384.54	9.50	-55.19
COC1=CC=C(SCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636117	0	51	0.0	-53.69	400.20	9.48	-44.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(CSC3=CC=CC=C3)C=CO2)C1	REAL300005636118	0	51	0.0	-53.95	404.85	11.05	-42.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300005636119	0	46	0.0	-51.95	368.66	10.25	-41.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300005636120	0	46	0.0	-52.03	368.66	10.24	-41.79
CC1=CC(C)=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=C1	REAL300005636121	0	50	0.0	-48.16	372.59	10.16	-38.00
CC1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=C1	REAL300005636122	0	47	0.0	-53.00	357.48	9.01	-43.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=COC(C3=CC=CS3)=N2)C1	REAL300005636123	0	46	0.0	-56.31	377.37	6.47	-49.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCSC2=CC=C(Cl)C=C2)C1	REAL300005636124	0	50	0.0	-51.64	408.95	11.47	-40.17
CC1=CC=C(C(=O)CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636125	0	51	0.0	-57.53	393.55	10.23	-47.30
CC1=CC=CC(C(=O)NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)C)=C1	REAL300005636126	0	59	0.0	-59.67	427.51	9.20	-50.47
CC(=O)C1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636127	0	55	0.0	-56.44	424.49	9.82	-46.62
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OC(C)C	REAL300005636128	0	54	0.0	-54.36	403.05	8.64	-45.72
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OCCC(C)C	REAL300005636129	0	60	0.0	-54.64	446.80	10.14	-44.50
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636130	0	53	0.0	-66.74	398.66	6.84	-59.90
CCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005636131	0	57	0.0	-54.23	428.81	9.61	-44.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)S2)C1	REAL300005636132	0	37	0.0	-51.12	311.70	7.48	-43.64
COC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636133	0	54	0.0	-53.37	411.39	8.59	-44.78
CCOC1=CC=CC=C1OCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636134	0	57	0.0	-55.16	433.01	10.13	-45.03
CC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636135	0	53	0.0	-52.64	403.30	9.99	-42.65
CC1=CC=CC(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636136	0	53	0.0	-52.79	403.30	10.00	-42.79
CC(C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636137	0	56	0.0	-69.14	416.57	10.23	-58.91
CCCCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636138	0	59	0.0	-69.14	442.00	11.27	-57.87
CC(C)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636139	0	50	0.0	-66.79	375.42	8.82	-57.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(=O)C3=CC=CC=C3)C=C2)C1	REAL300005636140	0	52	0.0	-68.93	401.25	11.10	-57.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC([N+](=O)[O-])=CC=C3S2)C1	REAL300005636141	0	45	0.0	-49.20	364.28	10.42	-38.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3CCCCC3=C2)C1	REAL300005636142	0	50	0.0	-52.52	368.47	10.38	-42.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C1	REAL300005636143	0	51	0.0	-72.59	396.44	7.75	-64.84
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005636144	0	49	0.0	-51.32	365.37	10.18	-41.14
CC1=NC(COC2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005636145	0	52	0.0	-52.77	403.94	7.54	-45.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC3=CC=CC=C23)C1	REAL300005636146	0	43	0.0	-53.46	342.04	9.32	-44.14
CC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005636147	0	52	0.0	-52.00	388.71	10.87	-41.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2=CC=CC=C2C(F)(F)F)C1	REAL300005636148	0	50	0.0	-52.58	390.98	11.04	-41.54
CC1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636149	0	43	0.0	-53.90	330.66	8.56	-45.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCNC3=O)C=C2)C1	REAL300005636150	0	50	0.0	-67.81	376.95	6.62	-61.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2OC(F)F)C1	REAL300005636151	0	48	0.0	-54.33	377.45	9.07	-45.26
CC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)N1	REAL300005636152	0	46	0.0	-51.30	349.83	6.63	-44.67
CC1=NN(C)C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636153	0	46	0.0	-55.16	348.14	7.48	-47.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C3OCCC3=C2)C1	REAL300005636154	0	49	0.0	-54.40	375.21	9.29	-45.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC3=CC=CC=C3O2)C1	REAL300005636155	0	47	0.0	-57.12	369.52	9.99	-47.13
COC1=CC=C(C2=NNC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636156	0	51	0.0	-73.45	394.43	7.12	-66.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3)C3=C2CCC3)C1	REAL300005636157	0	54	0.0	-59.58	410.98	11.50	-48.08
CC(NC(=O)C1=CC=CS1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636158	0	47	0.0	-58.29	376.33	6.38	-51.91
CC(=O)NCCNC(=O)CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636159	0	53	0.0	-62.30	412.13	3.45	-58.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC3=CC=CC=C32)C1	REAL300005636160	0	50	0.0	-51.19	368.17	10.70	-40.49
CC1=CC=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636161	0	43	0.0	-52.83	345.56	9.10	-43.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCCC3)NC2=O)C1	REAL300005636162	0	50	0.0	-60.56	371.59	7.31	-53.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)OC2=CC=CC(Cl)=C2)C1	REAL300005636163	0	50	0.0	-55.72	377.56	9.07	-46.65
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636164	0	47	0.0	-51.58	376.03	9.80	-41.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C1	REAL300005636165	0	62	0.0	-52.15	435.27	12.07	-40.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC(=O)C(Br)=C2)C1	REAL300005636166	0	40	0.0	-61.25	335.12	5.60	-55.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(NC(=O)C3CC3)C=C2)C1	REAL300005636167	0	54	0.0	-58.13	417.44	9.40	-48.73
CC(C)C1=NN(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636168	0	49	0.0	-54.32	366.90	7.52	-46.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3F)CC2)C1	REAL300005636169	0	47	0.0	-43.98	355.15	10.34	-33.64
CC1=NOC(C2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005636170	0	48	0.0	-54.42	374.01	8.18	-46.24
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005636171	0	42	0.0	-58.77	327.43	3.79	-54.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300005636172	0	53	0.0	-52.65	386.20	9.45	-43.20
CC1=CC=CC=C1N1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005636173	0	50	0.0	-51.46	378.83	10.49	-40.97
CN(C)S(=O)(=O)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=C1	REAL300005636174	0	48	0.0	-58.94	386.96	5.33	-53.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(SC3=CC=CC=C3)CCCC2)C1	REAL300005636175	0	54	0.0	-54.13	394.23	10.96	-43.17
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=CC=C1	REAL300005636176	0	49	0.0	-59.91	378.17	10.24	-49.67
COC1=CC=CC=C1CC(C)(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636177	0	56	0.0	-52.14	397.33	9.57	-42.57
COCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636178	0	51	0.0	-72.31	389.64	7.38	-64.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2CCCCO2)C1	REAL300005636179	0	50	0.0	-51.12	366.69	7.88	-43.24
CC(CSC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636180	0	50	0.0	-52.66	388.04	10.63	-42.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300005636181	0	43	0.0	-53.79	340.27	8.69	-45.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(=O)NC3=CC=C([N+](=O)[O-])C=C32)C1	REAL300005636182	0	48	0.0	-53.47	382.70	8.26	-45.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC(F)=CC=C3O2)C1	REAL300005636183	0	45	0.0	-47.74	342.09	9.51	-38.23
CCC(OC1CCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636184	0	53	0.0	-50.60	386.37	9.58	-41.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NC3=CN=CC=N3)=C2)C1	REAL300005636185	0	50	0.0	-53.88	383.86	7.31	-46.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC3=CC=CC=C3C2=O)C1	REAL300005636186	0	45	0.0	-50.29	345.38	8.56	-41.73
CC(C)N1C=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005636187	0	46	0.0	-55.82	348.16	7.66	-48.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(C)(=O)=O)O2)C1	REAL300005636188	0	43	0.0	-61.70	344.33	4.34	-57.36
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005636189	0	50	0.0	-52.38	376.64	8.86	-43.52
CCN(CC)S(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636190	0	50	0.0	-57.06	387.34	5.02	-52.04
CC1CCCC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005636191	0	53	0.0	-54.55	380.21	9.75	-44.80
CC1=NOC(COCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005636192	0	45	0.0	-56.36	356.58	4.92	-51.44
CC1CCC(=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005636193	0	50	0.0	-50.67	360.96	9.58	-41.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=CN3N=CC=C3C2=O)C1	REAL300005636194	0	45	0.0	-58.97	358.83	7.07	-51.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)S(C)(=O)=O)C1	REAL300005636195	0	45	0.0	-94.13	333.34	3.53	-90.60
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(OC)=C1OC	REAL300005636196	0	52	0.0	-52.35	391.48	7.54	-44.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300005636197	0	40	0.0	-48.66	335.17	9.47	-39.19
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OCC	REAL300005636198	0	54	0.0	-54.57	407.67	8.94	-45.63
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005636199	0	48	0.0	-55.23	364.38	7.12	-48.11
CC1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C1N2	REAL300005636200	0	57	0.0	-55.68	421.06	10.96	-44.72
CCCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005636201	0	52	0.0	-50.80	386.96	10.67	-40.13
CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005636202	0	44	0.0	-54.91	343.85	8.43	-46.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(OC(F)F)C=C2)C1	REAL300005636203	0	48	0.0	-56.16	378.50	9.02	-47.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC(N)=O)C=C2)C1	REAL300005636204	0	46	0.0	-79.78	353.61	3.99	-75.79
CC1=CC(C)=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005636205	0	53	0.0	-53.59	402.66	10.97	-42.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)CC2=CC=CC=C2)C1	REAL300005636206	0	50	0.0	-59.30	389.49	7.37	-51.93
CC1=CC=C(S(=O)(=O)NC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636207	0	54	0.0	-57.00	421.98	5.71	-51.29
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636208	0	45	0.0	-59.75	351.54	9.21	-50.54
CC(=O)NCCCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636209	0	52	0.0	-57.97	395.81	6.63	-51.34
CC1=CC=C(CN2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2=O)C=C1	REAL300005636210	0	57	0.0	-60.01	433.39	10.37	-49.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC3CCCO3)C=C2)C1	REAL300005636211	0	55	0.0	-56.81	414.18	8.53	-48.28
CC1=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C(C)C	REAL300005636212	0	56	0.0	-53.00	417.08	11.29	-41.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NS(C)(=O)=O)=C2)C1	REAL300005636213	0	48	0.0	-59.16	379.17	4.63	-54.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CC2)C1	REAL300005636214	0	47	0.0	-52.85	356.48	9.83	-43.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(Cl)C=C3)CC2)C1	REAL300005636215	0	47	0.0	-53.03	372.16	10.33	-42.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(F)=C2)C1	REAL300005636216	0	43	0.0	-52.39	336.94	8.99	-43.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2N2CCCC2)C1	REAL300005636217	0	54	0.0	-53.35	400.59	9.54	-43.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3OCCOC3=C2)C1	REAL300005636218	0	49	0.0	-54.88	375.04	8.08	-46.80
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636219	0	59	0.0	-60.05	437.67	9.30	-50.75
CC1=CC=CC=C1C(=O)NC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C	REAL300005636220	0	59	0.0	-57.55	425.47	9.13	-48.42
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005636221	0	50	0.0	-54.31	397.47	9.58	-44.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(Cl)C(Cl)=C2)C1	REAL300005636222	0	46	0.0	-52.61	383.85	10.70	-41.91
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=C(F)C=C1F	REAL300005636223	0	50	0.0	-57.40	392.37	10.29	-47.11
CC1=NOC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005636224	0	44	0.0	-55.16	343.51	5.33	-49.83
CC1=CC=CC(COC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)=C1	REAL300005636225	0	57	0.0	-56.89	438.44	11.85	-45.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCNC(=O)C(C)(C)C)C1	REAL300005636226	0	55	0.0	-57.43	411.55	7.11	-50.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=C(F)C=C2)C1	REAL300005636227	0	50	0.0	-52.48	388.31	9.38	-43.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=C3C=CC=CN3C2=O)C1	REAL300005636228	0	46	0.0	-61.62	364.24	8.60	-53.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(Br)C=C3)CC2)C1	REAL300005636229	0	47	0.0	-52.95	376.72	10.43	-42.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OCC3CCCO3)=C2)C1	REAL300005636230	0	55	0.0	-55.31	413.19	8.56	-46.75
CC(NC(=O)C(C)(C)C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636231	0	52	0.0	-57.88	386.06	6.23	-51.65
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=NNC(=O)C=C1	REAL300005636232	0	49	0.0	-56.36	382.14	6.21	-50.15
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC=C1F	REAL300005636233	0	50	0.0	-63.21	390.63	9.68	-53.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(Br)C=C3N2)C1	REAL300005636234	0	44	0.0	-52.40	357.38	8.96	-43.44
CC1=CC=CC=C1OCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636235	0	53	0.0	-52.64	401.98	10.07	-42.57
CC1=NOC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)=N1	REAL300005636236	0	48	0.0	-55.27	378.33	7.29	-47.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(Cl)=C3)CCC2)C1	REAL300005636237	0	50	0.0	-51.32	382.20	10.59	-40.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(F)C=C3)CCC2)C1	REAL300005636238	0	50	0.0	-50.51	371.87	10.15	-40.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(F)=C3)CCC2)C1	REAL300005636239	0	50	0.0	-54.08	371.87	10.15	-43.93
CC1=CC=CC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2)=C1	REAL300005636240	0	53	0.0	-50.25	386.90	10.75	-39.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC(F)=CC=C3N2)C1	REAL300005636241	0	44	0.0	-51.78	342.50	8.42	-43.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(Cl)=C3)CCCCC2)C1	REAL300005636242	0	56	0.0	-51.07	407.96	11.53	-39.54
CCCC1=NNC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636243	0	46	0.0	-54.01	349.39	6.85	-47.16
CCCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1	REAL300005636243	1	46	0.0	-49.38	344.56	7.55	-41.83
CSC1=CC=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636244	0	47	0.0	-54.52	364.37	9.52	-45.00
CC(C)C(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005636245	0	56	0.0	-56.17	407.16	8.51	-47.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=C(Cl)C=C3)N=C2)C1	REAL300005636246	0	47	0.0	-51.50	374.43	10.05	-41.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=C([N+](=O)[O-])C=C3)N=C2)C1	REAL300005636247	0	49	0.0	-54.75	386.14	10.20	-44.55
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636248	0	47	0.0	-52.53	384.79	10.19	-42.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3(C)NC(=O)NC3=O)C=C2)C1	REAL300005636249	0	52	0.0	-55.11	401.92	4.96	-50.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(Cl)C=C3N2)C1	REAL300005636250	0	44	0.0	-52.51	352.81	8.86	-43.65
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC=C1	REAL300005636251	0	53	0.0	-53.41	390.79	10.52	-42.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3N=CC=C(C4=CC=CC=C4)N3N=C2)C1	REAL300005636252	0	52	0.0	-55.37	405.81	10.92	-44.45
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=C(C)C=C1	REAL300005636253	0	56	0.0	-53.26	417.85	11.33	-41.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(C(C)(C)C)C=C3N2)C1	REAL300005636254	0	56	0.0	-52.68	412.08	10.67	-42.01
COC1=CC=C(COCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636255	0	51	0.0	-54.60	394.52	8.65	-45.95
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1=CC=C(F)C=C1	REAL300005636256	0	49	0.0	-61.78	381.43	8.67	-53.11
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636257	0	55	0.0	-48.52	411.27	12.61	-35.91
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=C(F)C=C1	REAL300005636258	0	53	0.0	-56.78	410.44	10.28	-46.50
CC1=CC=C(N2N=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C(C)C)C=C1	REAL300005636259	0	59	0.0	-53.75	428.34	11.72	-42.03
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636260	0	55	0.0	-58.81	417.98	7.08	-51.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3CCNC3=O)=C2)C1	REAL300005636261	0	50	0.0	-60.97	376.62	6.57	-54.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(C)(C)C)=NN2)C1	REAL300005636262	0	49	0.0	-54.17	366.73	7.20	-46.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC3=C2CCCC3)C1	REAL300005636263	0	47	0.0	-55.90	347.00	7.36	-48.54
CC1=CC=C(N2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=N2)C=C1	REAL300005636264	0	49	0.0	-62.07	381.63	8.87	-53.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C(Cl)C=C2)C1	REAL300005636265	0	49	0.0	-51.37	390.16	11.03	-40.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC(NC(=O)C3CC3)=C2)C1	REAL300005636266	0	55	0.0	-58.32	426.64	9.31	-49.01
COCC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636267	0	47	0.0	-48.59	349.88	8.30	-40.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC2=CC=CC=C2Cl)C1	REAL300005636268	0	45	0.0	-51.35	357.81	7.75	-43.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(CC3=CC=CC=C3F)=N2)C1	REAL300005636269	0	49	0.0	-46.57	391.88	10.74	-35.83
CSC1=CC=C(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636270	0	51	0.0	-77.20	394.53	10.22	-66.98
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636271	0	54	0.0	-69.28	408.09	9.48	-59.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(N3CCNC3=O)=CC=C2F)C1	REAL300005636272	0	50	0.0	-58.25	384.07	6.70	-51.55
COC1=CC=CC(NC2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636273	0	56	0.0	-49.02	422.23	10.12	-38.90
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CSC=C1	REAL300005636274	0	43	0.0	-50.09	337.36	8.30	-41.79
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CS1	REAL300005636275	0	43	0.0	-45.87	330.33	8.99	-36.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=C(F)C=C3)N=C2)C1	REAL300005636276	0	46	0.0	-54.12	367.88	8.19	-45.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=CC(F)=C2)C1	REAL300005636277	0	49	0.0	-54.28	354.86	9.50	-44.78
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005636278	0	52	0.0	-51.60	404.11	11.17	-40.43
CCC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(C)C=C1	REAL300005636279	0	55	0.0	-51.34	406.48	11.50	-39.84
CC(CC1=CC=CC=C1F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636280	0	49	0.0	-70.38	366.30	9.87	-60.51
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1C(F)(F)F	REAL300005636281	0	52	0.0	-52.11	398.21	10.98	-41.13
CC(C)C(CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636282	0	55	0.0	-51.59	391.00	10.96	-40.63
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636283	0	52	0.0	-51.89	406.34	11.07	-40.82
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636284	0	52	0.0	-53.26	405.64	11.03	-42.23
CC(C)C1=CC=C(C(C)CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636285	0	58	0.0	-51.19	425.60	12.11	-39.08
CC1=CSC(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)=N1	REAL300005636286	0	49	0.0	-54.41	392.00	9.37	-45.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=CC(Cl)=C2)C1	REAL300005636287	0	49	0.0	-53.19	365.19	9.96	-43.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC(Cl)=CS2)C1	REAL300005636288	0	43	0.0	-51.40	359.04	9.33	-42.07
CC1=CC=CC(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636289	0	49	0.0	-51.04	367.30	9.93	-41.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OC2CCCCC2)C1	REAL300005636290	0	57	0.0	-46.60	409.46	12.12	-34.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CS3)CCCCC2)C1	REAL300005636291	0	53	0.0	-52.04	383.13	10.25	-41.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3=COC=C3)=N2)C1	REAL300005636292	0	46	0.0	-54.89	377.31	7.90	-46.99
CCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(C)C)=N1	REAL300005636293	0	52	0.0	-48.45	386.42	8.92	-39.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCCCC3)NC2=O)C1	REAL300005636294	0	53	0.0	-61.05	386.38	7.79	-53.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2C(=O)CCC3=CC=CC=C32)C1	REAL300005636295	0	54	0.0	-56.71	406.72	10.07	-46.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2C(=O)CCC3=CC(F)=CC=C32)C1	REAL300005636296	0	54	0.0	-56.50	413.14	10.14	-46.36
CCC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636297	0	49	0.0	-51.55	373.43	10.37	-41.18
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636298	0	54	0.0	-56.97	406.79	9.31	-47.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=NC(C3CC3)=NO2)C1	REAL300005636299	0	51	0.0	-55.00	396.39	7.62	-47.38
CCCCSCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636300	0	49	0.0	-51.70	379.73	9.64	-42.06
CC1=NOC(C)=C1CC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636301	0	51	0.0	-55.52	380.25	8.69	-46.83
CN1C=C(C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C2)C=N1	REAL300005636302	0	50	0.0	-56.13	385.94	9.20	-46.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC(C3=COC=C3)=NO2)C1	REAL300005636303	0	48	0.0	-57.95	384.78	6.33	-51.62
CC(C)=CCSC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636304	0	54	0.0	-47.70	413.35	12.29	-35.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(=O)NCC(C)(C)C)C=C2)C1	REAL300005636305	0	59	0.0	-76.42	440.04	9.24	-67.18
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636306	0	52	0.0	-56.37	409.71	3.85	-52.52
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1NC(=O)CC(C)C	REAL300005636307	0	59	0.0	-61.89	437.70	9.82	-52.07
CC(C)CNC(=O)N1CCCC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005636308	0	64	0.0	-55.92	461.85	9.28	-46.64
CC(C)=CCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636309	0	54	0.0	-55.36	408.95	10.14	-45.22
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636310	0	53	0.0	-73.66	416.61	8.73	-64.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC(C3=CC=CC=C3)CC2)C1	REAL300005636311	0	59	0.0	-50.84	427.62	12.64	-38.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCC3=CC=CC=C32)C1	REAL300005636312	0	53	0.0	-47.11	379.09	11.68	-35.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC3=CC=CC=C3C2)C1	REAL300005636313	0	53	0.0	-51.31	388.68	11.34	-39.97
CC(C)COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636314	0	56	0.0	-52.39	423.50	10.65	-41.74
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(C)=C1OC(F)F	REAL300005636315	0	50	0.0	-55.10	383.68	8.94	-46.16
CSC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=C1	REAL300005636316	0	41	0.0	-46.75	330.24	8.45	-38.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC(Br)=CS2)C1	REAL300005636317	0	43	0.0	-51.36	363.63	9.44	-41.92
CC(C)COC1=CC=C(C(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636318	0	62	0.0	-54.22	439.20	11.26	-42.96
COC1=CC=CC=C1CC(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636319	0	56	0.0	-52.77	415.00	10.31	-42.46
CC(OC1=CC=CC=C1Br)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636320	0	47	0.0	-52.46	373.99	9.84	-42.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=CC3=CC=CC=C32)C1	REAL300005636321	0	46	0.0	-61.00	351.54	8.65	-52.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2=CC=C(Cl)C=C2Cl)C1	REAL300005636322	0	47	0.0	-51.32	380.91	11.09	-40.23
COC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636323	0	50	0.0	-52.87	375.50	8.58	-44.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CC=CN3N=C2)C1	REAL300005636324	0	43	0.0	-54.42	328.24	8.18	-46.24
CCC1=C2NC=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=CC=C1	REAL300005636325	0	53	0.0	-48.50	399.86	10.91	-37.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCCN2C(=O)C2=CC=CC=C2)C1	REAL300005636326	0	57	0.0	-53.43	380.32	9.93	-43.50
CN(C(=O)C1=CC=CO1)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636327	0	54	0.0	-42.78	410.64	10.69	-32.09
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC=C2Cl)=N1	REAL300005636328	0	50	0.0	-56.31	391.89	10.40	-45.91
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1S(N)(=O)=O	REAL300005636329	0	48	0.0	-58.57	373.77	3.52	-55.05
COC1=CC=CC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCCC2)=C1	REAL300005636330	0	57	0.0	-54.70	404.00	10.16	-44.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OC2CCCC2)C1	REAL300005636331	0	54	0.0	-46.82	392.39	11.54	-35.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC3CCCC3)=C2)C1	REAL300005636332	0	54	0.0	-55.49	399.55	10.11	-45.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=COC=C3)=N2)C1	REAL300005636333	0	43	0.0	-49.69	347.13	8.05	-41.64
CC1=NN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2F)C(C)=C1	REAL300005636334	0	53	0.0	-61.82	412.81	10.27	-51.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC([N+](=O)[O-])=C3)N=N2)C1	REAL300005636335	0	48	0.0	-71.51	388.47	8.86	-62.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCCC2=CC=CS2)C1	REAL300005636336	0	52	0.0	-51.27	406.65	11.17	-40.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C(=O)CCC3=CC=CC=C32)C1	REAL300005636337	0	51	0.0	-57.08	385.78	9.51	-47.57
CC1CCC(N2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2=O)CC1	REAL300005636338	0	60	0.0	-56.62	428.78	9.68	-46.94
CSC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005636339	0	41	0.0	-45.73	324.34	7.92	-37.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)CCCC2=CC=CC=C2)C1	REAL300005636340	0	58	0.0	-71.47	416.67	11.63	-59.84
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1F	REAL300005636341	0	46	0.0	-55.31	341.38	9.49	-45.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300005636342	0	50	0.0	-52.99	382.82	11.36	-41.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2CCCCC2)C1	REAL300005636343	0	55	0.0	-45.37	388.55	11.17	-34.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CCC2=CC=CC=C2)C1	REAL300005636344	0	56	0.0	-48.09	420.62	13.58	-34.51
CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1[N+](=O)[O-]	REAL300005636345	0	45	0.0	-56.07	356.08	9.53	-46.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300005636346	0	44	0.0	-55.55	344.18	7.48	-48.07
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC=C2)=NO1	REAL300005636347	0	49	0.0	-59.78	383.69	10.09	-49.69
CC1=CC(Cl)=CC=C1OC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636348	0	50	0.0	-51.61	389.26	10.37	-41.24
COC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636349	0	44	0.0	-54.06	351.55	7.97	-46.09
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C([N+](=O)[O-])C=C1OC	REAL300005636350	0	50	0.0	-56.80	390.02	8.66	-48.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCCC3)S2)C1	REAL300005636351	0	47	0.0	-51.49	358.28	9.50	-41.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCC3)S2)C1	REAL300005636352	0	44	0.0	-51.85	340.57	8.87	-42.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(COC3=CC=CC=C3)C=C2)C1	REAL300005636353	0	54	0.0	-55.95	417.83	11.24	-44.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CC3)C=CS2)C1	REAL300005636354	0	44	0.0	-52.30	344.03	9.01	-43.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=CC=C3)C=CS2)C1	REAL300005636355	0	47	0.0	-48.75	367.31	10.97	-37.78
COC1=CC=C2OC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(C)C2=C1	REAL300005636356	0	50	0.0	-56.78	381.81	8.61	-48.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1	REAL300005636357	0	48	0.0	-72.67	376.55	6.10	-66.57
CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636358	0	47	0.0	-52.36	360.74	10.10	-42.26
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005636359	0	45	0.0	-60.05	363.97	1.96	-58.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2=CC=CC(F)=C2F)C1	REAL300005636360	0	47	0.0	-53.97	369.50	10.33	-43.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC(F)=C3O2)C1	REAL300005636361	0	43	0.0	-61.10	340.19	8.69	-52.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=C(Cl)C=C2)C1	REAL300005636362	0	44	0.0	-51.71	365.78	9.96	-41.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3=CC=CC=C3)=N2)C1	REAL300005636363	0	49	0.0	-54.05	386.53	10.08	-43.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32)C1	REAL300005636364	0	49	0.0	-69.34	394.59	4.55	-64.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(COC3=CC=CC=C3)C=CO2)C1	REAL300005636365	0	51	0.0	-54.44	395.05	9.48	-44.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC(=O)C3CC3)S2)C1	REAL300005636366	0	48	0.0	-59.23	381.77	7.46	-51.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=C(Cl)N2)C1	REAL300005636367	0	38	0.0	-50.74	323.21	7.14	-43.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=C(Cl)C=C3)=NN2)C1	REAL300005636368	0	47	0.0	-54.70	380.88	8.82	-45.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300005636368	1	47	0.0	-49.96	374.69	9.51	-40.45
CC1=CC=C(C2=NNC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)C=C1	REAL300005636369	0	50	0.0	-55.84	385.56	8.98	-46.86
CC1=CC=C(C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NN2)C=C1	REAL300005636369	1	50	0.0	-50.12	379.37	9.67	-40.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=CC=N3)C=C2)C1	REAL300005636370	0	50	0.0	-56.45	389.68	9.58	-46.87
CN1C(=O)CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005636371	0	51	0.0	-54.01	383.00	8.82	-45.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC=CC=C3S2)C1	REAL300005636372	0	45	0.0	-66.60	352.28	9.74	-56.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2CC3=CC=CC=C3NC2=O)C1	REAL300005636373	0	54	0.0	-54.28	407.21	8.77	-45.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC=C(C3=CC=CC=C3F)O2)C1	REAL300005636374	0	52	0.0	-57.92	414.64	8.29	-49.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC3=CC=CC=C23)C1	REAL300005636375	0	50	0.0	-53.35	382.64	11.59	-41.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)NC3=CC(F)=CC=C32)C1	REAL300005636376	0	48	0.0	-53.93	371.91	7.09	-46.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=C(C(C)(C)C)C=C2)C1	REAL300005636377	0	56	0.0	-51.95	425.21	11.76	-40.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)NCC2=CC=C(F)C=C2)C1	REAL300005636378	0	52	0.0	-58.23	411.86	6.14	-52.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1	REAL300005636379	0	51	0.0	-58.59	386.78	4.78	-53.81
CN(C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)S(C)(=O)=O	REAL300005636380	0	51	0.0	-53.14	389.92	7.89	-45.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(SC(F)F)C=C2)C1	REAL300005636381	0	44	0.0	-64.94	356.18	9.18	-55.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C1	REAL300005636382	0	50	0.0	-58.26	391.00	8.77	-49.49
CC1=NN2C(=C1)N=CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)=C2C	REAL300005636383	0	48	0.0	-60.82	371.59	8.31	-52.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1	REAL300005636384	0	48	0.0	-70.67	378.36	4.58	-66.09
COC1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636385	0	44	0.0	-55.00	341.23	7.53	-47.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300005636386	0	50	0.0	-55.99	389.37	10.12	-45.87
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C2=CC=CC=C2)O1	REAL300005636387	0	52	0.0	-57.17	408.35	8.10	-49.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3=CC=CC=C3)N=N2)C1	REAL300005636388	0	49	0.0	-62.96	385.46	8.68	-54.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCNC(=O)NC2CCCCC2)C1	REAL300005636389	0	61	0.0	-58.52	451.42	7.26	-51.26
C=CCOC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636390	0	48	0.0	-48.60	365.33	9.59	-39.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(OC(F)F)C=C2)C1	REAL300005636391	0	50	0.0	-55.08	391.19	9.31	-45.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NC4=C(CCCC4)C3=CC=C2)C1	REAL300005636392	0	54	0.0	-55.25	402.54	10.43	-44.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC3=CC=C([N+](=O)[O-])C=C32)C1	REAL300005636393	0	45	0.0	-75.38	359.34	7.84	-67.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=C([N+](=O)[O-])C=CC3=NN2)C1	REAL300005636393	1	45	0.0	-59.26	363.49	7.37	-51.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300005636394	0	46	0.0	-53.48	369.20	8.78	-44.70
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300005636395	0	50	0.0	-55.77	398.97	9.98	-45.79
CC(=O)NCC(=O)NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636396	0	47	0.0	-54.21	362.50	2.57	-51.64
CC1=C(C)C2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2N1	REAL300005636398	0	50	0.0	-50.82	375.64	9.72	-41.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(S(N)(=O)=O)S2)C1	REAL300005636399	0	45	0.0	-57.58	377.27	3.07	-54.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC(C(F)(F)F)C2)C1	REAL300005636400	0	49	0.0	-74.20	359.29	9.02	-65.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2CCCCC2)C1	REAL300005636401	0	50	0.0	-51.55	366.99	8.95	-42.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCCOC2=CC=CC=C2)C1	REAL300005636402	0	51	0.0	-55.44	394.93	9.08	-46.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCOCC2CCCO2)C1	REAL300005636403	0	51	0.0	-55.14	383.13	6.45	-48.69
COC1=CC=CC(COCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636404	0	51	0.0	-55.08	394.52	8.64	-46.44
COC1=CC=CC(COC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636405	0	54	0.0	-54.60	409.77	9.07	-45.53
CCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636406	0	53	0.0	-53.26	403.29	9.96	-43.30
CC(CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636407	0	55	0.0	-49.85	388.50	10.27	-39.58
CCC(CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636408	0	58	0.0	-49.63	406.28	10.87	-38.76
CCCC(CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636409	0	61	0.0	-50.01	429.38	11.68	-38.33
CC(CC1CCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636410	0	52	0.0	-72.08	371.89	9.66	-62.42
CCC(CC1CCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636411	0	55	0.0	-49.66	383.74	10.00	-39.66
CCCC(CC1CCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636412	0	58	0.0	-49.78	411.94	11.14	-38.64
CC1=NN(C)C=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636413	0	49	0.0	-56.22	374.89	8.04	-48.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(F)=C3)CC2)C1	REAL300005636414	0	47	0.0	-54.02	361.04	9.85	-44.17
CC1=CC=CC=C1C(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636415	0	52	0.0	-51.63	382.87	10.71	-40.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=COC(C3=CC=C(F)C=C3)=N2)C1	REAL300005636416	0	49	0.0	-54.87	392.76	7.59	-47.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2CCOCC2)C1	REAL300005636417	0	50	0.0	-51.18	363.85	7.51	-43.67
COC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C)=C1	REAL300005636418	0	44	0.0	-53.21	346.73	7.15	-46.06
CC(C)C1=NOC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636419	0	45	0.0	-56.86	343.72	7.39	-49.47
CC1=CC(OC(F)F)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005636420	0	44	0.0	-55.16	356.80	7.45	-47.71
CC1=C2NC=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=CC=C1	REAL300005636421	0	50	0.0	-48.81	378.18	10.15	-38.66
CC(C)CCCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636422	0	54	0.0	-50.00	395.59	10.34	-39.66
CCCCCC(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636423	0	54	0.0	-45.29	385.80	10.79	-34.50
CC1=NC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005636424	0	41	0.0	-52.69	332.16	7.04	-45.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2SCCC3=CC=CC=C32)C1	REAL300005636425	0	48	0.0	-54.53	367.98	10.20	-44.33
CCCCC(CC)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636426	0	54	0.0	-49.54	384.07	10.03	-39.51
CN1C(=O)NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1=O	REAL300005636427	0	43	0.0	-62.90	326.77	4.92	-57.98
CN1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300005636428	0	50	0.0	-51.25	388.58	10.92	-40.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CCCO3)OC=N2)C1	REAL300005636429	0	47	0.0	-53.90	351.78	5.44	-48.46
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=CC(F)=C1	REAL300005636430	0	47	0.0	-48.86	357.60	9.56	-39.30
CC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1C	REAL300005636431	0	50	0.0	-48.16	368.09	10.03	-38.13
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636432	0	56	0.0	-60.71	415.82	7.48	-53.23
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2=CN(C)N=C2)=N1	REAL300005636433	0	49	0.0	-57.51	394.89	7.23	-50.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC3=NC=CS3)=C2)C1	REAL300005636434	0	47	0.0	-55.66	379.92	6.60	-49.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CSC(Br)=C2)C1	REAL300005636435	0	41	0.0	-45.49	345.01	9.62	-35.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OC2CCC2)C1	REAL300005636436	0	51	0.0	-47.04	374.90	10.88	-36.16
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(F)=C1	REAL300005636437	0	49	0.0	-51.71	371.78	10.24	-41.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2=C(F)C=CC=C2F)C1	REAL300005636438	0	47	0.0	-53.22	362.29	10.19	-43.03
CC(CCC1=CC=CC=C1F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636439	0	52	0.0	-52.23	395.19	10.92	-41.31
CCC1=NC(C)=NC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636440	0	47	0.0	-52.07	351.14	7.65	-44.42
CC(C)C1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=C1	REAL300005636441	0	53	0.0	-52.77	396.15	10.26	-42.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3CCCCC3=O)C=C2)C1	REAL300005636442	0	57	0.0	-55.21	426.91	10.30	-44.91
CCCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1CC1=CC=CC=C1	REAL300005636443	0	59	0.0	-57.42	449.34	11.41	-46.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=CC=CC=C3NC2=O)C1	REAL300005636444	0	49	0.0	-58.32	381.04	8.00	-50.32
CC(C)S(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636445	0	45	0.0	-58.75	350.58	4.47	-54.28
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1=CC=CC(Cl)=C1	REAL300005636446	0	49	0.0	-64.04	393.53	9.19	-54.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(F)=C3)CCCCC2)C1	REAL300005636447	0	56	0.0	-54.33	397.65	11.09	-43.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=C(F)C=C3)C=CS2)C1	REAL300005636448	0	47	0.0	-51.07	376.74	10.72	-40.35
COC1=CC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCCC2)=CC=C1C	REAL300005636449	0	60	0.0	-54.34	424.24	10.90	-43.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CC(C)(C)CC3=O)NC2=O)C1	REAL300005636450	0	55	0.0	-63.28	416.54	7.51	-55.77
CC1=CC=C(CCC(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636451	0	56	0.0	-57.65	432.31	8.86	-48.79
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1Cl	REAL300005636452	0	47	0.0	-52.78	374.63	10.65	-42.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=CC=N3)C(F)=C2)C1	REAL300005636453	0	47	0.0	-56.38	367.38	9.08	-47.30
CC1CCCCC1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636454	0	53	0.0	-50.80	384.89	9.71	-41.09
CC1=NC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005636455	0	43	0.0	-53.04	346.58	7.40	-45.64
CC1=C(Cl)C=CC=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636456	0	47	0.0	-52.36	373.59	9.98	-42.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NN=CN2C2=CC=CC=C2)C1	REAL300005636457	0	52	0.0	-59.33	403.40	11.94	-47.39
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC2=CC=C(F)C=C12	REAL300005636458	0	46	0.0	-52.98	365.90	9.99	-42.99
COC1=CC=C2SC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(C)C2=C1	REAL300005636459	0	50	0.0	-54.67	389.04	9.21	-45.46
COC1=CC=C(Cl)C=C1NCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636460	0	52	0.0	-52.45	410.67	7.78	-44.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(C3=CC=C(F)C=C3)C2=O)C1	REAL300005636461	0	51	0.0	-58.64	378.31	9.65	-48.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(C3=CC=C(Cl)C=C3)C2=O)C1	REAL300005636462	0	51	0.0	-58.02	388.63	10.11	-47.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C1	REAL300005636463	0	57	0.0	-60.74	431.96	6.52	-54.22
CC1=CC=CC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2)=C1	REAL300005636464	0	50	0.0	-53.47	376.83	10.47	-43.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2)C1	REAL300005636465	0	47	0.0	-55.30	370.78	9.74	-45.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC3=CC=C(Cl)C=C32)C1	REAL300005636466	0	47	0.0	-53.10	380.59	10.88	-42.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300005636467	0	60	0.0	-69.57	438.98	11.49	-58.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC([N+](=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300005636468	0	48	0.0	-65.48	394.16	6.07	-59.41
CC(C)OC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636469	0	50	0.0	-53.57	391.14	9.85	-43.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(F)C=C3)CCCCC2)C1	REAL300005636470	0	56	0.0	-42.27	383.43	10.91	-31.36
COC1=CC=C(N2C=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=N2)C=C1	REAL300005636471	0	51	0.0	-59.58	393.38	8.97	-50.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C2CC2)C2CC2)C1	REAL300005636472	0	50	0.0	-49.62	370.10	10.25	-39.37
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC2=C(C)C=CC(C)=C12	REAL300005636473	0	52	0.0	-57.61	388.88	10.48	-47.13
CC1=C2OC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=CC=C1	REAL300005636474	0	46	0.0	-55.90	355.20	9.29	-46.61
CC1=C(C)C=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=COC2=C1	REAL300005636475	0	52	0.0	-54.41	396.91	10.50	-43.91
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(Cl)=C1OC	REAL300005636476	0	52	0.0	-55.69	417.99	9.31	-46.38
CCC(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005636477	0	55	0.0	-50.45	392.53	10.73	-39.72
CC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=COC2=C1C	REAL300005636478	0	52	0.0	-54.52	396.92	10.51	-44.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCCCCC3)S2)C1	REAL300005636479	0	53	0.0	-48.24	380.54	10.96	-37.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(S2)C2=CC=CC=C2CC3)C1	REAL300005636480	0	51	0.0	-51.23	392.18	12.21	-39.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(S2)C2=CC=CC=C2OC3)C1	REAL300005636481	0	49	0.0	-55.49	388.01	9.79	-45.70
CCCC1=C(CC)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005636482	0	52	0.0	-46.13	391.90	10.96	-35.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCC(C(C)(C)C)C3)S2)C1	REAL300005636483	0	59	0.0	-46.15	421.74	12.03	-34.12
CC1=C(C)C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C2N1	REAL300005636484	0	50	0.0	-48.87	371.44	9.56	-39.31
CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005636485	0	55	0.0	-54.72	419.81	9.57	-45.15
CC1=NOC(C)=C1CSCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636486	0	49	0.0	-55.01	392.24	9.12	-45.89
CSCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC2=CC=CC=C21	REAL300005636487	0	50	0.0	-57.87	396.98	10.54	-47.33
CC1=CC=CC(CSCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636488	0	50	0.0	-52.60	396.36	11.01	-41.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(=O)C3=CC=CC=C32)C1	REAL300005636489	0	45	0.0	-53.97	340.38	6.75	-47.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300005636490	0	42	0.0	-47.55	325.25	9.90	-37.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(F)C=CC=C3S2)C1	REAL300005636491	0	43	0.0	-48.00	342.74	9.83	-38.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=C(Cl)C=CC=C2Cl)C1	REAL300005636492	0	44	0.0	-53.03	370.22	10.34	-42.69
CC(C)SC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636493	0	50	0.0	-47.78	377.62	10.81	-36.97
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C(C)C	REAL300005636494	0	53	0.0	-53.92	381.79	9.71	-44.21
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636495	0	54	0.0	-63.02	420.94	5.57	-57.45
CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005636496	0	47	0.0	-51.06	374.75	10.53	-40.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(C3=CC=CC=C3)O2)C1	REAL300005636497	0	53	0.0	-55.01	412.19	11.59	-43.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Br)=CC=C2F)C1	REAL300005636498	0	40	0.0	-51.87	333.30	8.58	-43.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3=CC=CC(F)=C3)=N2)C1	REAL300005636499	0	49	0.0	-53.76	392.94	10.14	-43.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2SC(F)F)C1	REAL300005636500	0	44	0.0	-50.20	349.29	9.67	-40.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3)N=C2)C1	REAL300005636501	0	46	0.0	-57.13	361.94	8.13	-49.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)OC2=CC=C(F)C=C2)C1	REAL300005636502	0	50	0.0	-74.56	363.51	9.15	-65.41
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636503	0	44	0.0	-55.33	335.27	7.20	-48.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300005636504	0	53	0.0	-53.17	404.75	12.34	-40.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OCOC3=C2)C1	REAL300005636505	0	43	0.0	-69.27	331.93	6.57	-62.70
COC1=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(OC)=C1OC	REAL300005636506	0	55	0.0	-56.58	422.44	8.04	-48.54
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636507	0	55	0.0	-49.70	422.21	12.41	-37.29
CCCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636508	0	56	0.0	-69.11	420.50	10.49	-58.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C1	REAL300005636509	0	42	0.0	-50.13	344.61	9.61	-40.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300005636510	0	43	0.0	-51.91	362.46	9.89	-42.02
CC1=CC=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636511	0	46	0.0	-52.99	347.09	9.20	-43.79
CC1=CC(C)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636512	0	46	0.0	-52.02	348.67	9.23	-42.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300005636513	0	50	0.0	-69.06	378.85	11.28	-57.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300005636514	0	53	0.0	-52.34	396.94	11.85	-40.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(Cl)C=C2)C1	REAL300005636515	0	43	0.0	-51.38	347.27	9.44	-41.94
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC)=C1OC	REAL300005636516	0	52	0.0	-74.82	398.20	7.93	-66.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(F)C=C2)C1	REAL300005636517	0	43	0.0	-52.00	336.94	8.99	-43.01
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1[N+](=O)[O-]	REAL300005636518	0	45	0.0	-55.35	348.65	9.04	-46.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OC2=CC=CC=C2)C1	REAL300005636519	0	51	0.0	-61.73	385.84	11.24	-50.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300005636520	0	40	0.0	-51.49	341.99	8.99	-42.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)OC2=CC=C(Cl)C=C2)C1	REAL300005636521	0	50	0.0	-73.80	373.83	9.61	-64.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(Cl)C=C2Cl)C1	REAL300005636522	0	43	0.0	-45.62	356.01	10.40	-35.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300005636523	0	47	0.0	-51.25	378.03	10.43	-40.82
CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005636524	0	46	0.0	-53.13	343.64	9.11	-44.02
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005636525	0	51	0.0	-55.35	389.28	8.12	-47.23
CSC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636526	0	44	0.0	-64.87	361.90	9.43	-55.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300005636527	0	43	0.0	-52.35	358.63	9.77	-42.58
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636528	0	46	0.0	-52.13	349.45	9.40	-42.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300005636529	0	44	0.0	-51.02	356.07	9.94	-41.08
COC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636530	0	48	0.0	-52.71	368.81	8.72	-43.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2[N+](=O)[O-])C1	REAL300005636531	0	46	0.0	-55.21	365.20	10.00	-45.21
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(OC)=C1OC	REAL300005636532	0	56	0.0	-55.70	431.13	8.60	-47.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC3=CC=CC=C3C=C2)C1	REAL300005636533	0	50	0.0	-53.39	395.14	11.70	-41.69
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005636534	0	46	0.0	-48.14	341.04	9.71	-38.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2F)C1	REAL300005636535	0	43	0.0	-52.40	336.10	8.97	-43.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3F)CCCC2)C1	REAL300005636536	0	53	0.0	-52.76	370.03	10.71	-42.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(F)=C3)CCCC2)C1	REAL300005636537	0	53	0.0	-53.79	381.58	11.15	-42.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300005636538	0	44	0.0	-65.43	350.64	7.69	-57.74
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC=C2Cl)=NO1	REAL300005636539	0	49	0.0	-59.06	390.55	10.96	-48.10
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CC=CC=C1	REAL300005636540	0	54	0.0	-54.42	409.22	11.82	-42.60
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CC=C(F)C=C1	REAL300005636541	0	54	0.0	-53.76	417.60	11.96	-41.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(SC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300005636542	0	54	0.0	-52.76	418.03	12.47	-40.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC3=CC=CC=C3C=C2)C1	REAL300005636543	0	50	0.0	-54.17	385.47	11.10	-43.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCSC2=CC=CC=C2)C1	REAL300005636544	0	47	0.0	-52.83	370.73	10.19	-42.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2C(=O)C2=CC=CS2)C1	REAL300005636545	0	51	0.0	-55.40	390.62	9.59	-45.81
CCC1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636546	0	50	0.0	-53.07	381.15	10.30	-42.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2CC2=CC=CC=C2)C1	REAL300005636547	0	57	0.0	-53.81	438.81	13.33	-40.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(COC3=CC=C(F)C=C3)O2)C1	REAL300005636548	0	51	0.0	-51.33	399.24	10.25	-41.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C([N+](=O)[O-])S2)C1	REAL300005636549	0	39	0.0	-56.90	324.96	7.69	-49.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC=CC=C3O2)C1	REAL300005636550	0	46	0.0	-51.18	343.44	8.62	-42.56
CC1=CC(C)=NC2=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NN21	REAL300005636551	0	47	0.0	-67.91	366.56	10.08	-57.83
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1S(N)(=O)=O	REAL300005636552	0	48	0.0	-59.47	375.29	3.62	-55.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300005636553	0	51	0.0	-57.59	398.93	10.67	-46.92
CCC1=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2O1	REAL300005636554	0	53	0.0	-55.66	412.85	11.51	-44.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300005636555	0	44	0.0	-64.55	360.98	9.31	-55.24
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C	REAL300005636556	0	47	0.0	-53.47	355.27	7.94	-45.53
COC1=CC(OC)=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636557	0	54	0.0	-54.50	410.94	8.34	-46.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC=C2F)C1	REAL300005636558	0	40	0.0	-52.02	328.74	8.48	-43.54
CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636559	0	61	0.0	-55.41	454.45	10.88	-44.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC=C(Cl)C=C3C2)C1	REAL300005636560	0	48	0.0	-53.57	377.75	9.17	-44.40
CC1=NC(C2=CNC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)=CS1	REAL300005636561	0	47	0.0	-55.09	377.15	7.64	-47.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CCC2)C1	REAL300005636562	0	50	0.0	-50.26	365.50	10.11	-40.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(C3=CC=CC=C3F)O2)C1	REAL300005636563	0	53	0.0	-56.73	420.61	11.72	-45.01
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C2=CC=CC=C2)O1	REAL300005636564	0	49	0.0	-52.51	374.98	8.93	-43.58
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)O2)C=C1	REAL300005636565	0	52	0.0	-59.60	400.81	10.91	-48.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300005636566	0	49	0.0	-59.94	394.84	10.07	-49.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3SCCS3)C=C2)C1	REAL300005636567	0	49	0.0	-50.66	386.67	11.47	-39.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC(C)(C)C)C1	REAL300005636568	0	46	0.0	-51.05	349.92	8.42	-42.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300005636569	0	46	0.0	-57.99	367.21	5.50	-52.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300005636570	0	49	0.0	-67.57	391.58	6.16	-61.41
CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OCC	REAL300005636571	0	58	0.0	-54.64	441.66	10.49	-44.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSCC2=CC=CC(Cl)=C2)C1	REAL300005636572	0	47	0.0	-52.64	391.69	10.85	-41.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSCC2=CC=C(Cl)C=C2)C1	REAL300005636573	0	47	0.0	-52.23	391.69	10.86	-41.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CSC3=CC=CC=C3)C=C2)C1	REAL300005636574	0	54	0.0	-55.33	428.15	12.86	-42.47
CCOC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OC	REAL300005636575	0	55	0.0	-54.75	419.81	9.57	-45.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC3CC3)C([N+](=O)[O-])=C2)C1	REAL300005636576	0	51	0.0	-53.53	392.60	9.17	-44.36
CC1CCC2=C(C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)S2)C1	REAL300005636577	0	50	0.0	-46.47	373.45	10.59	-35.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC(Br)=CC=C3O2)C1	REAL300005636578	0	43	0.0	-53.64	355.05	9.26	-44.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=CC=N3)O2)C1	REAL300005636579	0	47	0.0	-50.17	365.36	8.59	-41.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN(C3=NC=CC=N3)C2)C1	REAL300005636580	0	53	0.0	-68.97	393.34	8.86	-60.11
CC(C)CC(=O)NC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C	REAL300005636581	0	58	0.0	-57.14	412.73	7.51	-49.63
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=NC=CS1	REAL300005636582	0	50	0.0	-57.76	394.44	10.06	-47.70
CC(C)C1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636583	0	53	0.0	-52.89	399.66	10.75	-42.14
CC(C)C1=CC(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1	REAL300005636584	0	56	0.0	-52.35	412.66	11.06	-41.29
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636585	0	59	0.0	-52.39	433.61	11.84	-40.55
CC1=CC(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C(C)C	REAL300005636586	0	59	0.0	-52.45	430.11	11.61	-40.84
CC(OC1=CC=CC(F)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636587	0	47	0.0	-52.16	359.67	9.26	-42.90
CC(NC(=O)C1CCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636588	0	53	0.0	-57.90	390.66	6.89	-51.01
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636589	0	49	0.0	-54.91	399.11	10.71	-44.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CNC(N)=O)C=C2)C1	REAL300005636590	0	49	0.0	-55.71	381.67	4.18	-51.53
CCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OCCC	REAL300005636591	0	60	0.0	-54.58	451.08	10.56	-44.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CS2)C1	REAL300005636592	0	43	0.0	-51.47	342.16	8.82	-42.65
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=C1C(=O)CCC2	REAL300005636593	0	50	0.0	-61.65	379.00	7.90	-53.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300005636594	0	56	0.0	-51.40	407.22	11.71	-39.69
CSC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636595	0	44	0.0	-69.02	344.80	8.86	-60.16
COC1=CC=C(C(C)=O)C=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636596	0	52	0.0	-58.11	401.55	8.80	-49.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3CCCCC3=C2)C1	REAL300005636597	0	53	0.0	-51.86	393.23	11.42	-40.44
CC1=CC=C(SCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005636598	0	53	0.0	-53.14	409.12	11.40	-41.74
COCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636599	0	47	0.0	-54.46	361.62	7.69	-46.77
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636600	0	59	0.0	-77.41	430.52	11.53	-65.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCC2=CC=CC=C2)C1	REAL300005636601	0	47	0.0	-53.37	365.01	9.34	-44.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC(F)=CC=C3S2)C1	REAL300005636602	0	43	0.0	-47.84	342.63	9.84	-38.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(C3=CC=CC=C3F)O2)C1	REAL300005636603	0	51	0.0	-60.60	409.88	11.49	-49.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3F)O2)C1	REAL300005636604	0	47	0.0	-60.19	374.72	10.14	-50.05
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636605	0	53	0.0	-62.87	403.01	11.63	-51.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300005636606	0	52	0.0	-56.41	413.76	5.71	-50.70
CCS(=O)(=O)NC(CCSC)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636607	0	54	0.0	-59.99	426.63	4.65	-55.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3CC3)=N2)C1	REAL300005636608	0	43	0.0	-49.16	336.39	8.45	-40.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CS(N)(=O)=O)=C2)C1	REAL300005636609	0	48	0.0	-63.66	383.12	3.52	-60.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3)N2)C1	REAL300005636610	0	48	0.0	-53.28	367.85	9.78	-43.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC=C3F)N=C2)C1	REAL300005636611	0	47	0.0	-57.44	362.17	9.69	-47.75
CC(C)C1=NC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005636612	0	47	0.0	-52.80	373.65	8.26	-44.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(F)C(NS(C)(=O)=O)=C2)C1	REAL300005636613	0	48	0.0	-57.69	383.46	4.65	-53.04
CC(=O)C1=CC=CC(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636614	0	55	0.0	-57.93	422.39	9.71	-48.22
CC(=O)CCC1=CC=C(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636615	0	58	0.0	-81.59	441.96	11.34	-70.25
CC(=O)C1=CC=CC(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636616	0	52	0.0	-57.40	393.73	9.59	-47.81
COCCS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636617	0	53	0.0	-58.08	422.35	5.48	-52.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC3=CC([N+](=O)[O-])=CC=C32)C1	REAL300005636618	0	49	0.0	-56.15	391.98	11.03	-45.12
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636619	0	57	0.0	-52.34	433.70	12.78	-39.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC=CC=C32)C1	REAL300005636620	0	45	0.0	-53.08	341.00	7.76	-45.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=CC=CC=C23)C1	REAL300005636621	0	43	0.0	-54.88	334.05	8.40	-46.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3Cl)C=C2)C1	REAL300005636622	0	47	0.0	-60.63	370.81	10.05	-50.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC=C3Cl)N=C2)C1	REAL300005636623	0	47	0.0	-54.92	369.89	10.23	-44.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC=C3Cl)N=N2)C1	REAL300005636624	0	46	0.0	-65.38	372.33	8.73	-56.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCNC(=O)C2=CC=CC=C2)C1	REAL300005636625	0	53	0.0	-58.88	408.51	8.16	-50.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300005636626	0	50	0.0	-55.70	399.75	9.13	-46.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=C3OCCOC3=C2)C1	REAL300005636627	0	46	0.0	-58.97	355.67	7.96	-51.01
CCC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636628	0	52	0.0	-51.72	394.82	11.18	-40.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3Cl)O2)C1	REAL300005636629	0	47	0.0	-59.67	382.81	10.52	-49.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)C(C)(C)C)C1	REAL300005636630	0	49	0.0	-52.96	362.26	6.13	-46.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=C3OCOC3=C2)C1	REAL300005636631	0	43	0.0	-54.80	348.51	7.08	-47.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C(=O)C2=CC=CS2)C1	REAL300005636632	0	49	0.0	-50.10	393.59	10.95	-39.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=C(F)C=C3)S2)C1	REAL300005636633	0	47	0.0	-53.06	379.14	10.61	-42.45
CCCCC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636634	0	55	0.0	-51.45	416.42	11.93	-39.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=NC=N3)C([N+](=O)[O-])=C2)C1	REAL300005636635	0	48	0.0	-61.45	382.12	11.50	-49.95
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636636	0	54	0.0	-57.51	428.55	5.90	-51.61
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(S(N)(=O)=O)=C1C	REAL300005636637	0	51	0.0	-56.64	392.18	4.10	-52.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C(=O)N2)C1	REAL300005636638	0	46	0.0	-61.11	361.73	7.12	-53.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(C)=O)C=C2)C1	REAL300005636639	0	45	0.0	-59.50	358.75	6.56	-52.94
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC2=CC=C(F)C=C12	REAL300005636640	0	46	0.0	-54.94	358.75	9.38	-45.56
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC2=C(F)C=CC=C12	REAL300005636641	0	46	0.0	-62.35	358.68	9.39	-52.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300005636642	0	48	0.0	-55.32	375.34	8.57	-46.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1	REAL300005636643	0	48	0.0	-69.72	371.38	5.77	-63.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CSC=C2)C1	REAL300005636644	0	43	0.0	-51.41	341.92	8.66	-42.75
CC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CC=CC=C1	REAL300005636645	0	58	0.0	-55.30	444.13	13.30	-42.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCC2=NC3=CC=CC=C3S2)C1	REAL300005636646	0	54	0.0	-55.80	426.59	10.72	-45.08
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=C1OCCO2	REAL300005636647	0	54	0.0	-55.50	412.96	8.47	-47.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC(Cl)=C3OCOC3=C2)C1	REAL300005636648	0	47	0.0	-54.88	382.10	8.62	-46.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CC4CC(C3)CC2C4)C1	REAL300005636649	0	54	0.0	-44.69	356.79	10.31	-34.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300005636650	0	46	0.0	-55.68	356.44	5.14	-50.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=C3CCCC3=C2)C1	REAL300005636651	0	51	0.0	-52.72	394.60	11.35	-41.37
CC1=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005636652	0	43	0.0	-57.25	339.28	5.79	-51.46
CC1=CC=C(SCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636653	0	50	0.0	-52.85	392.14	10.87	-41.98
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636654	0	56	0.0	-58.99	415.54	8.91	-50.08
CCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636655	0	53	0.0	-69.14	399.01	9.69	-59.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCSC2=CC=CC=C2Cl)C1	REAL300005636656	0	47	0.0	-54.10	385.74	10.64	-43.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC(C(F)(F)F)=C2)C1	REAL300005636657	0	47	0.0	-52.78	378.18	9.84	-42.94
CC1=CC=C(C)C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636658	0	50	0.0	-53.18	380.94	10.22	-42.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2C2=CC=CC=C2)C1	REAL300005636659	0	54	0.0	-54.31	418.15	12.54	-41.77
CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005636660	0	50	0.0	-53.38	378.54	10.07	-43.31
CC1=CC=C(C(C)C)C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636661	0	56	0.0	-53.06	419.47	11.47	-41.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCSC2=CC=C(Cl)C=C2)C1	REAL300005636662	0	47	0.0	-51.82	387.45	10.71	-41.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2F)C1	REAL300005636663	0	44	0.0	-54.66	345.68	8.90	-45.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(Br)C=C2)C1	REAL300005636664	0	44	0.0	-52.27	360.75	9.46	-42.81
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636665	0	51	0.0	-56.00	402.84	5.92	-50.08
CCC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636666	0	50	0.0	-52.88	382.34	10.28	-42.60
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1NC(=O)C1=CC=CO1	REAL300005636667	0	54	0.0	-58.58	417.80	8.72	-49.86
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636668	0	53	0.0	-55.91	410.23	10.88	-45.03
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1CC1	REAL300005636669	0	51	0.0	-54.98	381.05	10.03	-44.95
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=C1OCCO2	REAL300005636670	0	50	0.0	-62.36	368.88	7.31	-55.05
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1CC1=CC=CO1	REAL300005636671	0	54	0.0	-55.90	408.36	10.45	-45.45
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1CC1=CC=CC=C1	REAL300005636672	0	57	0.0	-55.23	425.88	12.24	-42.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C(=C2)CCN3S(C)(=O)=O)C1	REAL300005636673	0	52	0.0	-55.53	397.27	7.10	-48.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC(=O)NC2=O)C1	REAL300005636674	0	43	0.0	-53.64	333.96	5.28	-48.36
CC(NC(=O)C1=COC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636675	0	47	0.0	-61.38	366.40	5.29	-56.09
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636676	0	54	0.0	-56.61	407.01	10.98	-45.63
CC(=O)NC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C	REAL300005636677	0	50	0.0	-58.04	379.10	7.64	-50.40
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636678	0	48	0.0	-57.69	392.42	4.07	-53.62
CCCS(=O)(=O)N1CCCCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636679	0	57	0.0	-55.10	418.12	7.32	-47.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNS(=O)(=O)C2=CC=CS2)C1	REAL300005636680	0	45	0.0	-56.77	376.56	3.59	-53.18
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)S(C)(=O)=O	REAL300005636681	0	44	0.0	-58.61	344.90	3.40	-55.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300005636683	0	56	0.0	-57.49	433.08	9.63	-47.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCNC(=O)C2CC2)C1	REAL300005636684	0	50	0.0	-57.56	383.64	6.64	-50.92
COC1=CC=C(SC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636685	0	51	0.0	-53.18	400.41	9.33	-43.85
CC(SC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636686	0	47	0.0	-51.96	377.63	10.20	-41.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(C3=CC=CC=C3)N2)C1	REAL300005636687	0	54	0.0	-54.33	414.74	11.04	-43.29
CC1=NC2=CC(F)=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2N=C1C	REAL300005636688	0	50	0.0	-52.69	382.18	8.23	-44.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(F)C(Br)=C2)C1	REAL300005636689	0	43	0.0	-52.44	357.55	9.58	-42.86
CCSCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636690	0	50	0.0	-54.52	394.15	10.73	-43.79
COC1=CC=CC2=C1OCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)=C2	REAL300005636691	0	50	0.0	-69.39	381.83	8.29	-61.10
CC(C)NC(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636692	0	55	0.0	-79.13	417.65	7.09	-72.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)CC(C)(C)C)C1	REAL300005636693	0	52	0.0	-51.78	377.02	6.78	-45.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC3=CC=CC=C32)C1	REAL300005636694	0	47	0.0	-53.77	363.85	10.36	-43.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=CC(F)=C2)C1	REAL300005636695	0	50	0.0	-52.78	388.31	9.39	-43.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=C(C3=CC=CC=C3)C=CC2=O)C1	REAL300005636696	0	52	0.0	-59.06	406.81	9.30	-49.76
COCCOC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636697	0	51	0.0	-50.81	386.05	8.35	-42.46
COCCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636698	0	51	0.0	-58.83	390.75	7.40	-51.43
CC1=CC=C(C)N1C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C	REAL300005636699	0	54	0.0	-54.90	417.95	10.28	-44.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CC=C(Cl)S3)=N2)C1	REAL300005636700	0	43	0.0	-49.85	372.66	9.68	-40.17
CCCC(=O)N1CCCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636701	0	53	0.0	-55.10	387.03	8.98	-46.12
CCCC(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005636702	0	56	0.0	-57.33	408.02	8.66	-48.67
CCCC(=O)N1CCCCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636703	0	56	0.0	-51.13	403.31	9.93	-41.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=C([N+](=O)[O-])C=CC2=O)C1	REAL300005636704	0	45	0.0	-55.13	357.43	8.66	-46.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=C(C2CC2)C2CC2)C1	REAL300005636705	0	48	0.0	-45.51	348.67	10.46	-35.05
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1=CC(C)=CC=C1	REAL300005636706	0	52	0.0	-63.09	398.21	9.34	-53.75
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(F)C=C1	REAL300005636707	0	49	0.0	-52.09	371.77	10.25	-41.84
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(F)C=C1	REAL300005636708	0	47	0.0	-52.38	365.80	10.29	-42.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC3=CC=CC=C3C=C2)C1	REAL300005636709	0	52	0.0	-53.47	398.05	11.99	-41.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC(Cl)=C3)N=C2)C1	REAL300005636710	0	47	0.0	-54.64	380.18	9.54	-45.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC(Cl)=C3)C=C2)C1	REAL300005636711	0	47	0.0	-55.35	381.10	10.19	-45.16
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=C1	REAL300005636712	0	46	0.0	-47.49	355.38	9.58	-37.91
COC1=CC=CC=C1C1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005636713	0	50	0.0	-52.31	391.04	9.60	-42.71
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636714	0	56	0.0	-56.99	426.91	10.44	-46.55
CC(OCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636715	0	50	0.0	-52.82	380.26	9.77	-43.05
COC1=CC=C2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)COC2=C1	REAL300005636716	0	52	0.0	-56.96	390.47	7.97	-48.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCCC2=CC=CC=C2)C1	REAL300005636717	0	50	0.0	-52.83	386.50	10.12	-42.71
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C1=CC=CC=C1	REAL300005636718	0	54	0.0	-56.39	413.83	10.97	-45.42
COC1=CC=CC=C1C1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005636719	0	51	0.0	-54.52	382.53	9.49	-45.03
CC1=CC=CC=C1C1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005636720	0	50	0.0	-52.07	370.33	10.29	-41.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300005636721	0	57	0.0	-66.10	419.47	9.81	-56.29
CC(OC1=CC=CC(Br)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636722	0	47	0.0	-51.77	374.56	9.82	-41.95
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300005636723	0	60	0.0	-53.95	450.77	13.16	-40.79
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C2=CC=CO2)O1	REAL300005636724	0	49	0.0	-59.39	388.40	5.99	-53.40
COCC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636725	0	47	0.0	-53.65	359.93	7.59	-46.06
CC1=CC=C(C2=NC(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CS2)C=C1	REAL300005636726	0	52	0.0	-53.92	407.92	10.76	-43.16
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005636727	0	47	0.0	-54.76	360.78	9.63	-45.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(OC(F)F)C=C2)C1	REAL300005636728	0	47	0.0	-54.54	369.79	8.50	-46.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C3=C(SC=C3)S2)C1	REAL300005636729	0	40	0.0	-47.14	342.30	9.38	-37.76
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC2=CC=CC(F)=C12	REAL300005636730	0	46	0.0	-49.50	357.80	10.46	-39.04
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Br	REAL300005636731	0	44	0.0	-52.88	355.56	7.87	-45.01
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)S1	REAL300005636732	0	43	0.0	-51.60	337.53	8.45	-43.15
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636733	0	52	0.0	-56.58	412.00	5.83	-50.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=C(Cl)C3=CC=CC=C3S2)C1	REAL300005636734	0	47	0.0	-53.19	391.21	11.36	-41.83
COCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC2=CC=CC(F)=C21	REAL300005636735	0	50	0.0	-56.11	396.19	9.01	-47.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300005636736	0	49	0.0	-61.42	374.11	8.77	-52.65
CC1=CC(N2C(C)=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C)=NO1	REAL300005636737	0	53	0.0	-58.04	407.44	10.99	-47.05
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2=CC=CC=C2)=N1	REAL300005636738	0	49	0.0	-54.87	388.49	9.45	-45.42
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2=CC=CS2)=N1	REAL300005636739	0	46	0.0	-55.44	381.49	8.55	-46.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CC=CC(Cl)=C3)=N2)C1	REAL300005636740	0	46	0.0	-52.25	380.60	10.55	-41.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300005636741	0	46	0.0	-50.46	363.88	10.04	-40.42
COC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1OC(F)F	REAL300005636742	0	52	0.0	-56.00	408.63	9.04	-46.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=C(F)C(F)=C2)C1	REAL300005636743	0	44	0.0	-54.58	361.75	9.56	-45.02
CN(C)C(=O)COC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636744	0	54	0.0	-52.01	408.45	9.56	-42.45
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1CCCCC1	REAL300005636745	0	60	0.0	-52.25	420.73	11.51	-40.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3=CC=CS3)=N2)C1	REAL300005636746	0	46	0.0	-53.72	378.17	9.10	-44.62
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005636747	0	43	0.0	-51.66	338.42	8.44	-43.22
COC1=CC=C(C)C=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636748	0	50	0.0	-53.06	380.41	8.97	-44.09
CC1=CC=C(C2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)SC=C2)C=C1	REAL300005636749	0	50	0.0	-48.62	388.73	11.65	-36.97
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636750	0	50	0.0	-57.29	408.26	5.36	-51.93
C#CCNS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636751	0	50	0.0	-56.53	409.93	5.46	-51.07
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636752	0	46	0.0	-51.75	351.94	9.60	-42.15
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SN=N1	REAL300005636753	0	41	0.0	-54.56	325.70	5.86	-48.70
COC1=CC=C(C)C=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636754	0	51	0.0	-53.39	389.09	9.46	-43.93
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636755	0	59	0.0	-52.55	432.56	11.78	-40.77
CC1=CC=C(Cl)C(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636756	0	50	0.0	-81.36	390.04	10.36	-71.00
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636757	0	47	0.0	-51.17	385.81	10.19	-40.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(F)C(Cl)=C2)C1	REAL300005636758	0	44	0.0	-53.87	362.04	9.41	-44.46
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636759	0	57	0.0	-79.57	428.49	12.62	-66.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300005636760	0	44	0.0	-51.01	360.63	10.05	-40.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCNC(=O)C2=CC=C(Cl)C=C2)C1	REAL300005636761	0	53	0.0	-57.50	425.23	8.69	-48.81
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CC(C)=CC=C1	REAL300005636762	0	57	0.0	-54.06	429.88	12.49	-41.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCCCC3)S2)C1	REAL300005636763	0	50	0.0	-46.41	369.92	10.59	-35.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CNC3=CC=CC=C23)C1	REAL300005636764	0	50	0.0	-54.87	383.84	9.79	-45.08
CC1=CC(C)=NC(SCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005636765	0	48	0.0	-56.16	384.75	8.21	-47.95
CC1CCC2=C(C1)SC=C2C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636766	0	50	0.0	-47.80	374.82	10.70	-37.10
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636767	0	53	0.0	-59.52	405.07	10.09	-49.43
CC1=CC=C(C(=O)NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)C)C=C1	REAL300005636768	0	59	0.0	-59.45	427.50	9.21	-50.24
CCOC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636769	0	57	0.0	-53.17	433.25	9.53	-43.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OCC2CC2)C1	REAL300005636770	0	51	0.0	-47.17	383.81	10.56	-36.61
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=C1	REAL300005636771	0	43	0.0	-51.74	335.97	8.33	-43.41
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC)=C1OC	REAL300005636772	0	58	0.0	-56.91	444.15	8.92	-47.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=CC=C2F)C1	REAL300005636773	0	50	0.0	-54.43	388.13	9.40	-45.03
CCN1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=CC=CC=C21	REAL300005636774	0	50	0.0	-49.65	370.59	10.83	-38.82
CCOCCOC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636775	0	50	0.0	-53.34	375.93	6.95	-46.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NC(=O)NC3CC3)=C2)C1	REAL300005636776	0	53	0.0	-58.50	407.41	7.13	-51.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)NC2CCCCC2)C1	REAL300005636777	0	55	0.0	-58.68	407.79	5.78	-52.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN2CC2=CC=CS2)C1	REAL300005636778	0	48	0.0	-49.72	370.20	10.92	-38.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)NCC2=CC=CO2)C1	REAL300005636779	0	49	0.0	-58.69	386.20	4.21	-54.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=C3C=CC=CC3=NN2)C1	REAL300005636780	0	46	0.0	-55.95	357.58	7.50	-48.45
CC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005636781	0	46	0.0	-53.46	354.60	8.67	-44.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(OC(F)(F)F)C=CC=C3N2)C1	REAL300005636782	0	48	0.0	-51.78	382.20	8.15	-43.63
CCCCSC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636783	0	49	0.0	-50.87	373.62	9.29	-41.58
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1=CC=CC=C1	REAL300005636784	0	52	0.0	-54.45	395.13	9.34	-45.11
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1=CC=CC=C1	REAL300005636785	0	49	0.0	-62.68	374.85	8.63	-54.05
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1=CC=C(C)C=C1	REAL300005636786	0	52	0.0	-62.94	396.42	9.28	-53.66
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1Br	REAL300005636787	0	49	0.0	-51.31	383.05	10.69	-40.62
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005636788	0	43	0.0	-46.60	336.96	9.33	-37.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCN2C(=O)C2=CC=CO2)C1	REAL300005636789	0	54	0.0	-53.64	397.33	9.50	-44.14
CC1=CC=C(CN2C(=O)CCC2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636790	0	57	0.0	-52.38	428.13	11.28	-41.10
CC(CCC1=CC=CC(F)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636791	0	52	0.0	-52.37	396.03	10.96	-41.41
CC1=CC2=C(C=C1C)OC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C2	REAL300005636792	0	51	0.0	-47.96	374.45	10.67	-37.29
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Br)S1	REAL300005636793	0	43	0.0	-45.65	352.02	9.72	-35.93
CCCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636794	0	56	0.0	-53.09	424.79	10.76	-42.33
CC1CCC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005636795	0	50	0.0	-52.22	370.01	7.79	-44.43
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005636796	0	50	0.0	-52.11	398.06	11.22	-40.89
CCC(CC)(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005636797	0	55	0.0	-50.06	381.82	10.21	-39.85
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1[N+](=O)[O-]	REAL300005636798	0	48	0.0	-53.40	366.36	9.69	-43.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2CCCC2)C1	REAL300005636799	0	52	0.0	-49.96	378.14	10.12	-39.84
CC(CCOC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636800	0	53	0.0	-53.40	398.21	9.73	-43.67
CC1=CC(F)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1[N+](=O)[O-]	REAL300005636801	0	45	0.0	-47.23	353.10	10.42	-36.81
CCC(OC1=CC=CC=C1F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636802	0	50	0.0	-53.48	374.32	9.80	-43.68
CC1=C(C)C=C2OC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1	REAL300005636803	0	49	0.0	-57.18	372.53	9.85	-47.33
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2CCCC2)=N1	REAL300005636804	0	52	0.0	-52.69	396.34	9.06	-43.63
COC1=CC=C(C2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)S2)C=C1	REAL300005636805	0	50	0.0	-54.15	399.00	8.08	-46.07
CCOC1=C(F)C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636806	0	47	0.0	-54.80	364.30	8.62	-46.18
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300005636807	0	51	0.0	-56.09	399.67	8.38	-47.71
CCCOC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636808	0	50	0.0	-53.41	394.90	9.69	-43.72
CCC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)O2)C=C1	REAL300005636809	0	53	0.0	-52.55	404.62	11.86	-40.69
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)N1	REAL300005636810	0	53	0.0	-59.13	412.48	9.10	-50.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300005636811	0	44	0.0	-55.24	361.30	8.25	-46.99
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300005636812	0	50	0.0	-56.69	386.25	9.68	-47.01
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C	REAL300005636813	0	49	0.0	-55.10	367.55	8.02	-47.08
CC(C)CC(C)OCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636814	0	55	0.0	-51.78	405.80	8.84	-42.94
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300005636815	0	46	0.0	-48.85	377.79	10.24	-38.61
CC1=CC=C(N2N=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C3=C2CCC3)C=C1	REAL300005636816	0	57	0.0	-59.56	430.75	12.09	-47.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(C(C)(C)C)C=C3)CC2)C1	REAL300005636817	0	59	0.0	-52.99	431.63	12.13	-40.86
CC1=CC(C)=CC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2)=C1	REAL300005636818	0	56	0.0	-45.54	401.38	11.87	-33.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=CC=C3)OC=N2)C1	REAL300005636819	0	46	0.0	-61.09	360.69	6.16	-54.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=CC3=CC=CC=C3C2=O)C1	REAL300005636820	0	48	0.0	-62.34	377.35	7.93	-54.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(Cl)=C3)CCCC2)C1	REAL300005636821	0	53	0.0	-52.95	391.23	11.37	-41.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(Cl)=C3)CC2)C1	REAL300005636822	0	47	0.0	-52.93	371.36	10.29	-42.64
CCN1C(=O)NC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C2C1=O	REAL300005636823	0	52	0.0	-57.20	400.72	7.38	-49.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=C(Br)C=CC2=O)C1	REAL300005636824	0	43	0.0	-54.72	350.53	8.61	-46.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(Br)=C3)CC2)C1	REAL300005636825	0	47	0.0	-52.84	375.92	10.40	-42.44
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C2=CC=CS2)O1	REAL300005636826	0	46	0.0	-52.59	366.04	7.86	-44.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)N(C(C)(C)C)N=C2)C1	REAL300005636827	0	52	0.0	-48.07	381.27	8.61	-39.46
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636828	0	55	0.0	-54.88	399.65	9.22	-45.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300005636829	0	55	0.0	-68.01	408.08	8.34	-59.67
CC1CCC(NS(=O)(=O)CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005636830	0	57	0.0	-56.72	422.96	5.55	-51.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)C1	REAL300005636831	0	63	0.0	-55.70	449.74	9.80	-45.90
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636832	0	59	0.0	-59.26	444.23	9.40	-49.86
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C2NN=CC2=C1	REAL300005636833	0	46	0.0	-55.25	356.04	7.31	-47.94
CC1=CC2=CNN=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636833	1	46	0.0	-59.35	355.55	7.37	-51.98
CC1=NOC(C)=C1C(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636834	0	48	0.0	-52.92	354.02	7.89	-45.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C(C)(C)C)=N2)C1	REAL300005636835	0	48	0.0	-48.83	366.02	8.80	-40.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3C=CC=N3)=C2)C1	REAL300005636836	0	47	0.0	-56.87	364.05	9.09	-47.78
CCCNC(=O)NC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636837	0	58	0.0	-58.27	444.48	8.09	-50.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)CCC2CCCC2)C1	REAL300005636838	0	56	0.0	-57.54	416.10	7.80	-49.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCCC3=CC=CC=C32)C1	REAL300005636839	0	53	0.0	-46.02	367.77	10.77	-35.25
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=C(F)C=C1	REAL300005636840	0	49	0.0	-57.80	386.71	10.36	-47.44
CCCS(=O)(=O)N1CCCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636841	0	54	0.0	-54.89	405.60	6.89	-48.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=CC=C3)C=CO2)C1	REAL300005636842	0	47	0.0	-53.89	362.85	9.81	-44.08
COCCN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CC1=O	REAL300005636843	0	49	0.0	-51.08	370.90	6.34	-44.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2SCC(N)=O)C1	REAL300005636844	0	48	0.0	-52.12	377.17	6.34	-45.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300005636845	0	46	0.0	-53.30	385.83	10.03	-43.27
CC1=NC(CSCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005636846	0	46	0.0	-50.02	375.87	8.52	-41.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=NC3=CC=CC=C3C2=O)C1	REAL300005636847	0	47	0.0	-58.68	372.42	6.51	-52.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300005636848	0	53	0.0	-56.86	410.76	10.91	-45.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCSC2=CC=CC=C2F)C1	REAL300005636849	0	47	0.0	-55.29	376.49	10.23	-45.06
CC1=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)O1	REAL300005636850	0	46	0.0	-55.29	355.10	8.40	-46.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300005636851	0	46	0.0	-55.07	372.73	9.13	-45.94
CC1CC1C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005636852	0	51	0.0	-52.50	394.81	10.59	-41.91
CC1=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CNC2=CC=C1	REAL300005636853	0	50	0.0	-53.85	377.78	9.46	-44.39
COC(C)(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005636854	0	50	0.0	-52.26	356.89	8.38	-43.88
CN(C)C(=O)CCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636855	0	49	0.0	-56.61	369.03	7.00	-49.61
CCCN(CCC)C(=O)CCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636856	0	61	0.0	-55.63	454.18	10.43	-45.20
CCCN(CCC)C(=O)CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636857	0	58	0.0	-58.09	432.69	9.65	-48.44
CCNC(=O)CCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636858	0	49	0.0	-56.31	373.13	5.88	-50.43
CCCNC(=O)CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636859	0	49	0.0	-58.12	373.13	5.87	-52.25
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2=NNC=N2)=N1	REAL300005636860	0	45	0.0	-62.39	366.96	6.52	-55.87
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1=CC=CC=C1Cl	REAL300005636861	0	49	0.0	-64.50	391.18	9.30	-55.20
CCCNC(=O)CCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636862	0	52	0.0	-56.21	394.63	6.65	-49.56
CC(C)NC(=O)CCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636863	0	52	0.0	-56.26	393.75	6.69	-49.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3)C(C(N)=O)=C2)C1	REAL300005636864	0	51	0.0	-52.24	391.15	7.07	-45.17
COC1=CC=CC=C1C(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636865	0	53	0.0	-52.91	393.26	9.55	-43.36
COC1=CC([N+](=O)[O-])=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1SC	REAL300005636866	0	50	0.0	-56.44	400.12	9.80	-46.64
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636867	0	49	0.0	-52.10	397.95	10.96	-41.14
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636868	0	54	0.0	-59.80	417.49	10.04	-49.76
CC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636869	0	49	0.0	-73.56	366.08	9.99	-63.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C2=CC=CC=C2)C(F)(F)F)C1	REAL300005636870	0	49	0.0	-52.22	380.70	10.35	-41.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C(F)C=C2)C1	REAL300005636871	0	49	0.0	-53.91	352.66	9.61	-44.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2CC3=CC=CC=C3C2=O)C1	REAL300005636872	0	48	0.0	-60.20	374.35	8.67	-51.53
CC1=CC=C(C(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636873	0	52	0.0	-52.45	367.58	10.22	-42.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C(=O)NC3CC3)CCC2)C1	REAL300005636874	0	51	0.0	-49.28	368.16	6.45	-42.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2OCCC3=C2SC=C3)C1	REAL300005636875	0	48	0.0	-52.29	371.74	9.00	-43.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2OCCC3=CC=CC=C32)C1	REAL300005636876	0	51	0.0	-52.20	378.55	9.85	-42.35
CC(SC1=CC=C(Cl)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636877	0	47	0.0	-51.89	387.65	10.56	-41.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=C(F)C=C2)C1	REAL300005636878	0	44	0.0	-52.18	355.46	9.51	-42.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC3=C2CCCC3)C1	REAL300005636879	0	47	0.0	-47.37	351.71	10.06	-37.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=CS2)C1	REAL300005636880	0	46	0.0	-51.24	363.66	9.61	-41.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300005636881	0	44	0.0	-51.87	360.62	10.05	-41.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCSC2=CC=C(F)C=C2)C1	REAL300005636882	0	47	0.0	-52.20	377.13	10.26	-41.94
CCC1=C(C)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005636883	0	46	0.0	-51.36	356.30	9.00	-42.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=CC=C2Cl)C1	REAL300005636884	0	44	0.0	-52.43	364.07	9.89	-42.54
CC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636885	0	47	0.0	-52.34	370.47	10.12	-42.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300005636886	0	47	0.0	-52.51	378.03	10.43	-42.08
CSCCC(NC(=O)C1=CC=CO1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636887	0	54	0.0	-67.08	426.37	7.21	-59.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)CC2=CC=CC=C2)C1	REAL300005636888	0	53	0.0	-57.59	411.63	8.05	-49.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2SCCC3=C2C=CS3)C1	REAL300005636889	0	45	0.0	-53.10	359.69	9.38	-43.72
CC(C)OCCS(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636890	0	54	0.0	-54.85	418.61	3.56	-51.29
CCC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636891	0	52	0.0	-73.38	387.57	10.76	-62.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC(C(F)F)=NC3=C2)C1	REAL300005636892	0	46	0.0	-59.36	365.94	7.59	-51.77
CC(C)C1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005636893	0	45	0.0	-49.51	347.07	8.26	-41.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C(C)(C)C)=N2)C1	REAL300005636894	0	51	0.0	-52.58	389.60	8.60	-43.98
CC(=O)N(CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC1=CC=CC=C1	REAL300005636895	0	56	0.0	-58.51	422.21	10.10	-48.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C3=CC=CC=C3CCCC2=O)C1	REAL300005636896	0	54	0.0	-53.45	392.95	10.41	-43.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=CC(Br)=C2)C1	REAL300005636897	0	49	0.0	-53.14	369.75	10.06	-43.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(C)(C)C3=CC=CC=C32)C1	REAL300005636898	0	56	0.0	-51.36	400.42	11.24	-40.12
COC1=CC=CC=C1C1CC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636899	0	51	0.0	-53.76	386.05	9.58	-44.18
CCN(CC)C(=O)CCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636900	0	55	0.0	-55.99	411.19	8.92	-47.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)N2C=C([N+](=O)[O-])C=N2)C1	REAL300005636901	0	48	0.0	-81.87	361.22	8.09	-73.78
CC1=NN(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1[N+](=O)[O-]	REAL300005636902	0	51	0.0	-57.61	406.25	8.72	-48.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3)C(C3CC3)=N2)C1	REAL300005636903	0	53	0.0	-59.92	409.34	11.40	-48.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCC2C(=O)N2CCCC2)C1	REAL300005636904	0	60	0.0	-57.31	432.83	9.49	-47.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCOC3=CC=CC=C32)C1	REAL300005636905	0	48	0.0	-51.97	358.50	8.50	-43.47
CCC(CC)(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Cl)C=C1	REAL300005636906	0	55	0.0	-49.78	398.57	10.73	-39.05
CC1=CC=CC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCCC2)=C1	REAL300005636907	0	56	0.0	-52.67	395.92	11.53	-41.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=C2OC(F)(F)F)C1	REAL300005636908	0	50	0.0	-52.80	396.74	9.58	-43.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300005636909	0	50	0.0	-52.46	397.93	9.53	-42.93
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1F	REAL300005636910	0	49	0.0	-52.10	370.41	10.20	-41.90
CN1C=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C21	REAL300005636911	0	47	0.0	-56.43	361.27	9.71	-46.72
COC1=CC=CC=C1C(C)=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636912	0	51	0.0	-53.99	388.39	9.55	-44.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3=CC=CO3)S2)C1	REAL300005636913	0	43	0.0	-55.40	352.64	6.89	-48.51
CCN(C)C(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636914	0	53	0.0	-58.15	400.62	8.76	-49.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=CC=C3)C=C2)C1	REAL300005636915	0	51	0.0	-56.36	395.10	11.50	-44.86
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005636916	0	55	0.0	-56.50	428.54	8.82	-47.68
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)N2N=CC=C2N1	REAL300005636917	0	49	0.0	-69.23	379.41	7.20	-62.03
CC(C)OC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636918	0	50	0.0	-48.04	369.62	9.88	-38.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=COC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300005636919	0	49	0.0	-54.64	403.08	8.04	-46.60
CNC(=O)C1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC1	REAL300005636920	0	47	0.0	-61.05	349.75	4.94	-56.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(OC(F)F)C=CS2)C1	REAL300005636921	0	41	0.0	-49.25	330.23	7.04	-42.21
CC(=O)C1=CSC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636922	0	42	0.0	-55.22	337.93	7.29	-47.93
COC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=C1	REAL300005636923	0	41	0.0	-47.28	320.46	6.77	-40.51
CC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C(F)=C2)C=C1C	REAL300005636924	0	56	0.0	-48.53	420.24	13.13	-35.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=C(F)C=C3)C=C2F)C1	REAL300005636925	0	50	0.0	-48.68	388.26	11.99	-36.69
CC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C(F)=C2)C=C1	REAL300005636926	0	53	0.0	-46.74	399.39	12.52	-34.22
CC(OC1=CC=C(Br)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636927	0	47	0.0	-77.64	375.64	9.83	-67.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(Cl)=C2)C1	REAL300005636928	0	43	0.0	-51.76	347.26	9.43	-42.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C(Cl)C=C2)C1	REAL300005636929	0	49	0.0	-52.82	362.98	10.05	-42.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=CC=C2)C1	REAL300005636930	0	49	0.0	-51.50	373.42	10.51	-40.99
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005636931	0	43	0.0	-51.05	340.73	8.98	-42.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Br)C=CS2)C1	REAL300005636932	0	37	0.0	-45.18	310.45	8.06	-37.12
COC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCCC2)C=C1	REAL300005636933	0	57	0.0	-43.57	393.53	9.61	-33.96
COC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636934	0	53	0.0	-52.95	402.94	9.81	-43.14
CC1=CC=C(C)C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636935	0	49	0.0	-51.33	368.87	10.10	-41.23
CN1N=C(C(C)(C)C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636936	0	52	0.0	-54.31	386.94	8.13	-46.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3Cl)=NN2)C1	REAL300005636937	0	47	0.0	-57.18	376.04	8.96	-48.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3=CC=CC=C3Cl)=C2)C1	REAL300005636937	1	47	0.0	-49.80	373.11	9.33	-40.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC([N+](=O)[O-])=C3N2)C1	REAL300005636938	0	46	0.0	-63.38	361.96	9.11	-54.27
CC(C)C1=NNC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636939	0	46	0.0	-54.20	346.73	6.60	-47.60
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1	REAL300005636939	1	46	0.0	-49.17	342.12	7.41	-41.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=C(F)C=C3)=NN2)C1	REAL300005636940	0	47	0.0	-55.04	370.56	8.37	-46.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3=CC=C(F)C=C3)=C2)C1	REAL300005636940	1	47	0.0	-50.45	364.37	9.05	-41.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CNC3=CC=C2)C1	REAL300005636941	0	44	0.0	-50.71	332.39	8.48	-42.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300005636942	0	47	0.0	-51.71	376.53	8.72	-42.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300005636943	0	46	0.0	-55.70	367.66	9.51	-46.19
CC(OC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636944	0	47	0.0	-52.66	369.61	9.73	-42.93
CC1=CC(Br)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636945	0	43	0.0	-48.20	340.93	9.67	-38.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CC3)=NN2)C1	REAL300005636946	0	44	0.0	-54.46	336.35	6.83	-47.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3CC3)=C2)C1	REAL300005636946	1	44	0.0	-53.92	338.97	7.06	-46.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2SC(F)(F)F)C1	REAL300005636947	0	44	0.0	-45.80	352.07	9.79	-36.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC(Cl)=C3)=NN2)C1	REAL300005636948	0	47	0.0	-53.65	380.42	8.81	-44.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300005636948	1	47	0.0	-55.32	380.38	8.99	-46.33
CC1=CC(F)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636949	0	43	0.0	-50.86	328.40	9.17	-41.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Br)C=C2Cl)C1	REAL300005636950	0	40	0.0	-44.90	333.59	9.47	-35.43
CCN1N=C(C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636951	0	46	0.0	-55.53	346.61	7.11	-48.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC3=C2CCCC3)C1	REAL300005636952	0	46	0.0	-57.15	342.85	8.42	-48.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC(Br)=C2)C1	REAL300005636953	0	40	0.0	-47.64	328.28	9.12	-38.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(C(F)(F)F)C=C2)C1	REAL300005636954	0	47	0.0	-52.74	378.18	9.84	-42.90
CC1=CC=CC=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636955	0	49	0.0	-51.92	367.27	10.20	-41.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(C(=O)C3=CC=CC=C3)CC2)C1	REAL300005636956	0	57	0.0	-55.79	418.28	9.81	-45.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(F)=C2Cl)C1	REAL300005636957	0	40	0.0	-53.40	328.06	8.49	-44.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(OC(F)F)=C2)C1	REAL300005636958	0	47	0.0	-54.64	369.80	8.50	-46.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CNC3=CC=C(F)C=C23)C1	REAL300005636959	0	47	0.0	-48.62	363.44	9.56	-39.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2N2C=CC=N2)C1	REAL300005636960	0	47	0.0	-56.55	360.96	9.54	-47.01
COC1=CC=C(Cl)C=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636961	0	48	0.0	-54.00	384.41	9.32	-44.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2OC(F)F)C1	REAL300005636962	0	47	0.0	-54.36	368.75	8.58	-45.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=C2Br)C1	REAL300005636963	0	46	0.0	-52.18	368.08	10.17	-42.01
CC1=CC=C(F)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636964	0	43	0.0	-52.01	333.41	8.63	-43.38
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636965	0	45	0.0	-76.34	345.20	8.27	-68.07
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=C(F)C=C2)=NO1	REAL300005636966	0	49	0.0	-54.93	384.30	10.70	-44.23
CCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636967	0	47	0.0	-55.31	357.12	8.13	-47.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2Br)C1	REAL300005636968	0	43	0.0	-51.34	348.33	9.43	-41.91
CC1=C(Br)C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636969	0	43	0.0	-52.41	344.00	9.06	-43.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CNC3=CC(F)=CC=C23)C1	REAL300005636970	0	47	0.0	-50.98	363.18	9.54	-41.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(Cl)C=C2Cl)C1	REAL300005636971	0	46	0.0	-51.96	382.42	10.65	-41.31
CCCCC1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005636972	0	58	0.0	-49.22	412.98	11.13	-38.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=CC=C2)C1	REAL300005636973	0	44	0.0	-52.35	349.06	9.44	-42.91
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636974	0	56	0.0	-56.23	424.96	11.17	-45.06
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1[N+](=O)[O-]	REAL300005636975	0	45	0.0	-53.44	348.03	9.02	-44.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300005636976	0	52	0.0	-58.25	415.19	8.03	-50.22
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005636977	0	50	0.0	-53.36	381.44	9.03	-44.33
CC1=CC=CC(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005636978	0	50	0.0	-77.76	375.76	9.87	-67.89
CC1=C(C(C)C)C=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=COC2=C1	REAL300005636979	0	58	0.0	-53.96	436.11	11.76	-42.20
CC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=COC2=C1	REAL300005636980	0	49	0.0	-54.19	379.98	9.97	-44.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=COC3=C2C2=C(C=CC=C2)C=C3)C1	REAL300005636981	0	52	0.0	-55.69	399.99	11.40	-44.29
CCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OCC	REAL300005636982	0	60	0.0	-54.75	451.08	10.54	-44.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=NC3=CC=CC=C3S2)C1	REAL300005636983	0	46	0.0	-57.23	374.26	9.13	-48.10
CC1=CC=CC(C)=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636984	0	50	0.0	-53.60	381.26	10.30	-43.30
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1OC(F)F	REAL300005636985	0	48	0.0	-56.90	377.07	7.66	-49.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)C2=CC=CO2)C1	REAL300005636986	0	47	0.0	-56.48	371.24	5.38	-51.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32)C1	REAL300005636987	0	56	0.0	-61.17	432.17	9.50	-51.67
CC(NS(=O)(=O)C1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636988	0	51	0.0	-56.37	401.47	5.04	-51.33
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636989	0	57	0.0	-58.27	436.78	11.58	-46.69
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636990	0	53	0.0	-54.93	403.99	10.83	-44.10
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005636991	0	50	0.0	-52.09	400.24	10.66	-41.43
CCCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005636992	0	58	0.0	-54.45	441.31	10.37	-44.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC(Br)=C2)C1	REAL300005636993	0	46	0.0	-52.03	373.23	10.35	-41.68
COC1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=C1	REAL300005636994	0	48	0.0	-55.30	365.51	7.65	-47.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C(Cl)C(Cl)=C2)C1	REAL300005636995	0	49	0.0	-51.98	405.35	11.48	-40.50
CC1=CC=CC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCCCC2)=C1	REAL300005636996	0	59	0.0	-50.33	412.65	11.69	-38.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C(Br)C=C2)C1	REAL300005636997	0	49	0.0	-52.66	367.54	10.16	-42.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC=C2C2=CC=CC=C2)C1	REAL300005636998	0	48	0.0	-52.84	366.87	9.44	-43.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300005636999	0	50	0.0	-56.36	388.89	10.13	-46.23
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637000	0	56	0.0	-57.02	429.62	11.12	-45.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=C([N+](=O)[O-])C=C3)C=C2)C1	REAL300005637001	0	49	0.0	-59.54	392.10	10.34	-49.20
CC1=CC=C(C2=NNC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)O1	REAL300005637002	0	47	0.0	-56.29	369.18	7.25	-49.04
CC1=CC(C)=NN1C(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637003	0	52	0.0	-56.46	391.13	8.62	-47.84
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637004	0	54	0.0	-58.09	412.83	8.82	-49.27
CCOC1=CC=CC=C1C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1	REAL300005637004	1	54	0.0	-51.40	410.69	9.41	-41.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C(C)(C)C)C(C3CC3)=C2)C1	REAL300005637005	0	56	0.0	-54.90	410.78	9.99	-44.91
CC1=CC(C)=CC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2)=C1	REAL300005637006	0	53	0.0	-48.50	393.05	11.63	-36.87
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C(C)(C)C	REAL300005637007	0	52	0.0	-50.50	374.10	9.05	-41.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)N=CS2)C1	REAL300005637008	0	36	0.0	-46.95	300.47	6.02	-40.93
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C(C)(C)C	REAL300005637009	0	55	0.0	-56.84	397.30	8.55	-48.29
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC(Br)=C1	REAL300005637010	0	40	0.0	-53.82	326.59	7.66	-46.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NC(=O)C4=CC=CC=C4N3N=C2)C1	REAL300005637011	0	49	0.0	-51.67	378.54	8.19	-43.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC(C3=NC=CC=N3)=NO2)C1	REAL300005637012	0	49	0.0	-63.10	393.54	5.63	-57.47
COC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2=CC=CC=C2)=C1	REAL300005637013	0	51	0.0	-55.92	402.86	10.23	-45.69
CCN1C=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637014	0	44	0.0	-54.23	350.88	8.85	-45.38
CC(C)N1C=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637015	0	47	0.0	-53.95	370.92	9.42	-44.53
CCC1=NC=NC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637016	0	44	0.0	-51.55	329.31	7.70	-43.85
CC1=NN(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1Cl	REAL300005637017	0	46	0.0	-50.63	362.17	8.00	-42.63
CCCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC(C)=C1C(C)=O	REAL300005637019	0	55	0.0	-54.12	420.61	9.52	-44.60
CC1=NN2C=CC=NC2=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637020	0	45	0.0	-59.36	347.97	8.16	-51.20
CCCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637021	0	45	0.0	-54.38	349.34	5.17	-49.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NC(=O)C3=CC=CO3)=C2)C1	REAL300005637022	0	51	0.0	-58.25	400.91	7.90	-50.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC3CC3)C=C2)C1	REAL300005637023	0	51	0.0	-69.38	387.69	9.69	-59.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC2=CC=CC=C2[N+](=O)[O-])C1	REAL300005637024	0	47	0.0	-55.06	368.89	8.07	-46.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCOCC2=CC=CC=C2)C1	REAL300005637025	0	50	0.0	-53.52	385.96	9.03	-44.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(Cl)C=C2Cl)C1	REAL300005637026	0	44	0.0	-52.19	372.21	9.89	-42.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300005637027	0	42	0.0	-54.09	333.07	8.55	-45.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2Br)C1	REAL300005637028	0	40	0.0	-46.71	320.46	9.02	-37.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC3=CC=CC=C32)C1	REAL300005637029	0	49	0.0	-52.77	373.35	11.08	-41.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)C2=CC=CC=C2)C1	REAL300005637030	0	47	0.0	-58.83	364.88	6.69	-52.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Br)C=C2)C1	REAL300005637031	0	40	0.0	-51.88	327.85	8.58	-43.30
CC1=CC=C(C)C(SCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637032	0	50	0.0	-52.46	388.96	10.68	-41.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C=C2)C1	REAL300005637033	0	40	0.0	-51.96	323.29	8.48	-43.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(C)(C)C)C=C2)C1	REAL300005637034	0	52	0.0	-51.98	382.62	10.26	-41.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2NC2=CC=CC=C2)C1	REAL300005637035	0	52	0.0	-47.58	393.80	10.95	-36.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300005637036	0	42	0.0	-55.78	334.74	8.63	-47.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300005637037	0	51	0.0	-67.51	394.86	10.80	-56.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005637038	0	43	0.0	-52.17	344.01	8.90	-43.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300005637039	0	40	0.0	-53.32	321.36	8.37	-44.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300005637040	0	43	0.0	-51.59	343.90	8.88	-42.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300005637041	0	42	0.0	-46.38	341.90	10.42	-35.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300005637042	0	46	0.0	-55.79	367.51	10.10	-45.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300005637043	0	46	0.0	-54.03	351.98	10.16	-43.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC4CC(CC(Cl)(C4)C2)C3)C1	REAL300005637044	0	54	0.0	-66.66	371.04	10.04	-56.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC4=C(CCCC4)C3=C2)C1	REAL300005637045	0	54	0.0	-55.70	400.27	10.35	-45.35
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637046	0	52	0.0	-65.87	412.37	8.03	-57.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=NC3=CC=CC=C3C(=O)N2)C1	REAL300005637047	0	54	0.0	-58.57	418.00	8.99	-49.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3CCCC3=C2)C1	REAL300005637048	0	50	0.0	-52.18	376.05	10.83	-41.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC=CC=C3O2)C1	REAL300005637049	0	45	0.0	-48.11	335.66	9.46	-38.65
CC1CC1C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005637050	0	53	0.0	-53.21	404.77	10.93	-42.28
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)(F)F)=N1	REAL300005637051	0	43	0.0	-47.21	339.51	7.06	-40.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC(Cl)=CC=C3N2)C1	REAL300005637052	0	44	0.0	-51.47	352.81	8.87	-42.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)C1	REAL300005637053	0	54	0.0	-79.97	416.36	9.91	-70.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NN=CC3=CC=C2)C1	REAL300005637054	0	43	0.0	-49.29	328.57	7.15	-42.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CNN=C32)C1	REAL300005637054	1	43	0.0	-51.90	327.51	7.18	-44.72
CC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1	REAL300005637055	0	47	0.0	-52.82	357.47	9.02	-43.80
CC1=NNC(=O)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005637056	0	45	0.0	-61.15	346.77	4.65	-56.50
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=C(F)C=C1	REAL300005637057	0	50	0.0	-56.54	387.73	9.51	-47.03
CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=NN2C(C)=C1	REAL300005637058	0	48	0.0	-61.22	371.25	7.98	-53.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(OC(F)(F)F)C=C3N2)C1	REAL300005637059	0	48	0.0	-52.46	381.99	8.15	-44.31
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C2=CC=CO2)S1	REAL300005637060	0	46	0.0	-59.36	369.11	8.37	-50.99
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1NS(C)(=O)=O	REAL300005637061	0	51	0.0	-58.64	396.30	5.33	-53.31
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC(C)=CC=C1	REAL300005637062	0	53	0.0	-58.59	403.48	10.12	-48.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(F)(F)C2=CC=CC=C2)C1	REAL300005637063	0	43	0.0	-56.17	337.76	8.89	-47.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN2CC2=CC=CC=C2)C1	REAL300005637064	0	51	0.0	-50.63	379.99	11.81	-38.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC(C3=CC=CO3)=NO2)C1	REAL300005637065	0	48	0.0	-58.66	384.31	6.39	-52.27
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=C(C)C=C1	REAL300005637066	0	53	0.0	-53.31	398.59	10.66	-42.65
CCCS(=O)(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637067	0	54	0.0	-58.43	422.13	6.32	-52.11
CCS(=O)(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637068	0	51	0.0	-58.72	400.63	5.53	-53.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300005637069	0	45	0.0	-55.76	358.76	9.60	-46.16
CN1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=CC=CC=C21	REAL300005637070	0	47	0.0	-50.65	349.63	9.92	-40.73
COC1=CC(Cl)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637071	0	44	0.0	-48.59	347.30	8.58	-40.01
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1[N+](=O)[O-]	REAL300005637072	0	46	0.0	-58.43	361.17	8.64	-49.79
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637073	0	47	0.0	-51.78	356.97	8.72	-43.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(F)=CC=C2F)C1	REAL300005637074	0	43	0.0	-51.59	342.54	9.04	-42.55
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Br	REAL300005637075	0	43	0.0	-51.06	344.76	9.06	-42.00
COC1=C2OC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=CC=C1	REAL300005637076	0	47	0.0	-61.37	363.78	7.92	-53.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300005637077	0	45	0.0	-47.07	364.18	10.91	-36.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CC=C3Cl)=C2)C1	REAL300005637078	0	46	0.0	-59.28	377.72	10.05	-49.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CC=C3F)=C2)C1	REAL300005637079	0	46	0.0	-60.63	369.24	9.67	-50.96
COC1=CC=C([N+](=O)[O-])C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637080	0	46	0.0	-56.43	360.74	8.72	-47.71
CC(CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637081	0	49	0.0	-51.79	367.56	10.07	-41.72
CN1C=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005637082	0	50	0.0	-54.46	385.03	10.72	-43.74
COC1=CC=C2NC=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005637083	0	51	0.0	-49.52	386.50	8.79	-40.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOCC2=CC=CC=C2)C1	REAL300005637084	0	53	0.0	-52.86	407.46	9.79	-43.07
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2N1	REAL300005637085	0	50	0.0	-54.58	381.88	9.48	-45.10
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1F	REAL300005637086	0	43	0.0	-52.21	331.23	8.56	-43.65
CC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637087	0	46	0.0	-51.81	351.93	9.59	-42.22
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005637088	0	47	0.0	-49.02	349.05	8.34	-40.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3F)S2)C1	REAL300005637089	0	47	0.0	-52.62	382.14	10.70	-41.92
CCCCN1N=C(C)C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Cl	REAL300005637090	0	56	0.0	-54.46	445.73	10.62	-43.84
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637091	0	52	0.0	-56.15	415.30	5.43	-50.72
CNS(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OC	REAL300005637092	0	52	0.0	-59.85	402.33	3.95	-55.90
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637093	0	51	0.0	-56.48	402.49	4.88	-51.60
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637094	0	54	0.0	-54.43	421.38	5.55	-48.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=CC=C2)C1	REAL300005637095	0	49	0.0	-52.16	348.46	9.43	-42.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2C=CC3=CC=CC=C32)C1	REAL300005637096	0	50	0.0	-55.29	384.74	10.92	-44.37
CCNS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637097	0	51	0.0	-55.35	404.16	4.98	-50.37
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637098	0	47	0.0	-51.34	386.34	10.24	-41.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300005637099	0	40	0.0	-51.62	337.60	8.87	-42.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(F)C=C3)CCCC2)C1	REAL300005637100	0	53	0.0	-41.54	370.44	10.37	-31.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC4CC(CC(C4)C2)C3)C1	REAL300005637101	0	54	0.0	-49.73	361.22	9.57	-40.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCC3)C([N+](=O)[O-])=C2)C1	REAL300005637102	0	54	0.0	-54.42	407.64	10.12	-44.30
CC(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637103	0	47	0.0	-79.01	360.38	6.79	-72.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=C2)C1	REAL300005637104	0	46	0.0	-51.79	351.93	9.73	-42.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CNC3=CC=CC=C23)C1	REAL300005637105	0	53	0.0	-54.45	405.34	10.57	-43.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(Br)=C2)C1	REAL300005637106	0	40	0.0	-53.18	325.92	8.47	-44.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2)C1	REAL300005637107	0	44	0.0	-53.12	339.45	8.84	-44.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300005637108	0	51	0.0	-53.48	393.28	10.72	-42.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC(Cl)=CC=C2Cl)C1	REAL300005637109	0	44	0.0	-52.31	380.80	10.41	-41.90
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300005637110	0	49	0.0	-56.78	390.53	6.57	-50.21
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC(F)F	REAL300005637111	0	48	0.0	-56.01	373.72	7.39	-48.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3F)C=C2)C1	REAL300005637112	0	47	0.0	-63.57	366.58	9.76	-53.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=C(F)C=C3)C=C2)C1	REAL300005637113	0	47	0.0	-57.17	370.30	9.73	-47.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3)C=C2)C1	REAL300005637114	0	47	0.0	-58.11	363.89	9.66	-48.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(=O)(=O)N3CCCC3)O2)C1	REAL300005637115	0	52	0.0	-59.88	405.43	5.93	-53.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOCCC2=CC=CC=C2)C1	REAL300005637116	0	56	0.0	-52.19	428.95	10.57	-41.62
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005637117	0	48	0.0	-59.15	379.07	4.78	-54.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(N3C=NN=N3)C=CS2)C1	REAL300005637118	0	42	0.0	-55.47	341.79	7.89	-47.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C3=CC=CC=C3N2)C1	REAL300005637119	0	44	0.0	-56.04	358.35	8.42	-47.62
CC1=CC=C(C2=NOC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)C=C1	REAL300005637120	0	49	0.0	-58.90	382.37	9.68	-49.22
CNS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005637121	0	45	0.0	-59.31	360.08	2.96	-56.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=NC(C(C)(C)C)=NO2)C1	REAL300005637122	0	56	0.0	-54.49	426.72	7.72	-46.77
CC1=NOC(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005637123	0	47	0.0	-54.71	365.01	6.11	-48.60
CCC1=NOC(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005637124	0	50	0.0	-54.57	386.49	6.71	-47.86
CCN(CC)C(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005637125	0	61	0.0	-58.02	431.88	9.19	-48.83
CC1=CC(NC(=O)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005637126	0	43	0.0	-57.96	336.62	5.49	-52.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C3=CC(Cl)=CC=C3N2)C1	REAL300005637127	0	44	0.0	-46.34	364.16	9.87	-36.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC([N+](=O)[O-])=C3)C=C2)C1	REAL300005637128	0	49	0.0	-71.33	392.09	10.33	-61.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C3=CC(F)=CC=C3N2)C1	REAL300005637129	0	44	0.0	-46.69	353.57	9.39	-37.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC(F)(F)F)C1	REAL300005637130	0	37	0.0	-51.66	313.31	7.02	-44.64
CC1=CC=C(C2=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CS2)O1	REAL300005637131	0	46	0.0	-60.12	374.28	8.39	-51.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(Cl)S2)C1	REAL300005637132	0	43	0.0	-51.68	359.20	9.44	-42.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(CC3=CC=CC=C3)=N2)C1	REAL300005637133	0	52	0.0	-53.73	409.68	10.76	-42.97
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(CC2=CC=CC=C2)=N1	REAL300005637134	0	52	0.0	-53.75	412.08	10.19	-43.56
CCOC1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=C1	REAL300005637135	0	51	0.0	-55.13	387.36	8.57	-46.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(CC3=CC=CC=C3)=N2)C1	REAL300005637136	0	49	0.0	-50.93	385.75	10.68	-40.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(=O)NC3=CC(F)=CC=C32)C1	REAL300005637137	0	46	0.0	-58.82	366.26	7.08	-51.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Br)C3=CC=CC=C3N2)C1	REAL300005637138	0	44	0.0	-56.05	362.50	8.49	-47.56
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC2=C1C(=O)CCC2	REAL300005637139	0	49	0.0	-56.59	369.60	8.73	-47.86
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637140	0	47	0.0	-57.83	379.92	10.05	-47.78
CCCC1=NOC(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005637141	0	53	0.0	-54.28	407.99	7.49	-46.79
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637142	0	51	0.0	-55.16	393.40	9.66	-45.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=NC=C(C3=CC=CC=C3)O2)C1	REAL300005637143	0	55	0.0	-55.70	428.62	8.99	-46.71
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637144	0	57	0.0	-53.99	435.62	9.02	-44.97
CCS(=O)(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637145	0	54	0.0	-63.49	427.95	5.67	-57.82
CC(C)CNC(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005637146	0	61	0.0	-64.71	440.61	8.31	-56.40
C=CCNS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637147	0	52	0.0	-55.20	416.97	5.53	-49.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=CC=CC=C3C=C2)C1	REAL300005637148	0	49	0.0	-53.08	376.65	11.18	-41.90
CCOC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637149	0	51	0.0	-53.20	389.55	9.72	-43.48
CC(C)COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637150	0	53	0.0	-55.11	398.72	9.62	-45.49
CC(OC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637151	0	47	0.0	-51.75	369.99	9.71	-42.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2Br)C1	REAL300005637152	0	44	0.0	-51.57	357.61	9.92	-41.65
CC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637153	0	47	0.0	-52.24	360.74	10.09	-42.15
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005637154	0	52	0.0	-52.17	404.11	11.18	-40.99
CC(=O)NC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1F	REAL300005637155	0	47	0.0	-56.22	365.78	6.86	-49.36
CCS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637156	0	49	0.0	-57.35	388.68	6.39	-50.96
CC(C)CCSCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637157	0	49	0.0	-50.95	375.61	9.40	-41.55
CCCCOC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637158	0	49	0.0	-51.21	363.44	8.30	-42.91
CC(C)CCOC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637159	0	52	0.0	-51.09	381.01	8.82	-42.27
CC(OCC1CCCCO1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637160	0	54	0.0	-53.20	395.64	8.03	-45.17
CC(OCC1CCCO1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637161	0	51	0.0	-53.79	377.31	7.13	-46.66
CC1=CC=C(CCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637162	0	55	0.0	-51.76	416.34	11.97	-39.79
CC1=CC=C(C)C(OCCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637163	0	59	0.0	-53.16	444.88	11.52	-41.64
CC1=CC=CC(OCCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637164	0	56	0.0	-53.31	424.81	10.78	-42.53
CC(C)OC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637165	0	53	0.0	-52.84	399.82	9.77	-43.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Br)C(C3CC3)=NN2)C1	REAL300005637166	0	44	0.0	-55.27	363.77	7.28	-47.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300005637167	0	48	0.0	-57.49	375.47	9.16	-48.33
CN1C=C(C2CC2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005637168	0	47	0.0	-53.52	354.76	7.86	-45.66
COCCOCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637169	0	47	0.0	-54.17	359.68	5.24	-48.93
CC(CC1=CC=CC(F)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637170	0	49	0.0	-53.15	373.33	10.11	-43.04
CC(CC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637171	0	49	0.0	-51.96	373.97	10.14	-41.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CSC=N2)C1	REAL300005637172	0	42	0.0	-53.64	336.23	6.75	-46.89
COC1=CC=C(C)C=C1N1C=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005637173	0	54	0.0	-58.96	411.58	9.36	-49.60
CC1=CC=CC=C1N1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=C1CCC2	REAL300005637174	0	57	0.0	-60.66	433.63	12.08	-48.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN(CC3=CC=CC=C3)C2=O)C1	REAL300005637175	0	53	0.0	-56.32	384.08	11.12	-45.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC3=CC(Cl)=CC=C3S2)C1	REAL300005637176	0	48	0.0	-54.63	400.39	9.66	-44.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)CC2CCCCC2)C1	REAL300005637177	0	56	0.0	-57.35	409.35	7.64	-49.71
CC(NC(=O)CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637178	0	59	0.0	-57.65	427.47	8.26	-49.39
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)NC(=O)C1CCCC1	REAL300005637179	0	56	0.0	-56.04	414.02	8.11	-47.93
CN1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C1=CC=C(F)C=C1	REAL300005637180	0	51	0.0	-53.73	386.55	10.57	-43.16
CC1=CC=CC(N2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=N2)=C1	REAL300005637181	0	49	0.0	-62.55	381.69	8.86	-53.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2C(=O)CC(C)(C)C)C1	REAL300005637182	0	59	0.0	-53.74	421.18	9.88	-43.86
CC1=CC=CC=C1C(C)(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637183	0	52	0.0	-48.84	363.15	9.60	-39.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C3OCCOC3=C2)C1	REAL300005637184	0	55	0.0	-56.68	393.63	8.60	-48.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC(F)=C2F)C1	REAL300005637185	0	46	0.0	-55.20	363.69	9.82	-45.38
CC1=NN(C)C(C)=C1C(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637186	0	52	0.0	-54.44	377.33	7.89	-46.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCC2CCCO2)C1	REAL300005637187	0	48	0.0	-54.43	362.06	6.70	-47.73
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C(C)(C)C)=N1	REAL300005637188	0	51	0.0	-53.38	392.40	8.23	-45.15
CC1=CC=C(C2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)S2)C(C)=C1	REAL300005637189	0	52	0.0	-54.01	410.31	10.22	-43.79
CC1=CN(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C12	REAL300005637190	0	50	0.0	-53.81	385.75	11.04	-42.77
CC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CNC2=C1	REAL300005637191	0	50	0.0	-50.87	378.13	10.13	-40.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CNC3=CC(Cl)=CC=C23)C1	REAL300005637192	0	47	0.0	-50.52	373.48	9.98	-40.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(Cl)=CC=C2Cl)C1	REAL300005637193	0	43	0.0	-50.61	361.65	9.89	-40.72
CC1CCCC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005637194	0	52	0.0	-49.73	364.18	9.60	-40.13
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCCCC1	REAL300005637195	0	55	0.0	-49.65	385.22	10.32	-39.33
CC1=NN(C2=CC=CC=C2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637196	0	50	0.0	-55.85	384.18	9.66	-46.19
COC1=CC=C(C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NO2)C(F)=C1	REAL300005637197	0	50	0.0	-59.82	398.68	8.97	-50.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=CC=C2Cl)C1	REAL300005637198	0	50	0.0	-53.18	397.93	9.88	-43.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CS(C)(=O)=O)O2)C1	REAL300005637199	0	46	0.0	-59.83	366.58	5.11	-54.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(OC2CCCC2)C2=CC=CC=C2)C1	REAL300005637200	0	57	0.0	-51.53	423.83	11.72	-39.81
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=CC=C1C(C)C	REAL300005637201	0	58	0.0	-59.47	441.91	12.60	-46.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CSC=N2)C1	REAL300005637202	0	40	0.0	-56.32	325.73	6.61	-49.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300005637203	0	49	0.0	-51.85	380.17	10.39	-41.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSCC(=O)C2=CC=CC=C2)C1	REAL300005637204	0	49	0.0	-56.80	395.02	10.20	-46.60
CCN1C=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005637205	0	53	0.0	-54.09	406.89	11.63	-42.46
CCCNC(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637206	0	53	0.0	-56.98	404.21	7.76	-49.22
C#CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637207	0	46	0.0	-71.78	361.80	8.66	-63.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)NS(C)(=O)=O)C1	REAL300005637208	0	47	0.0	-58.12	343.45	2.47	-55.65
COCCCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637209	0	54	0.0	-57.09	412.29	8.00	-49.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC3CC(=O)NC3=O)C=C2)C1	REAL300005637210	0	53	0.0	-58.80	407.71	7.06	-51.74
CC1=C2NC=C(CCC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=CC=C1	REAL300005637211	0	53	0.0	-55.05	405.07	10.44	-44.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2=CC(Cl)=CC(Cl)=C2)C1	REAL300005637212	0	47	0.0	-49.90	383.44	11.17	-38.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(N3CCNC3=O)=CC=C2Cl)C1	REAL300005637213	0	50	0.0	-57.94	392.79	7.12	-50.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C(N3CCNC3=O)=C2)C1	REAL300005637214	0	50	0.0	-62.34	401.55	7.67	-54.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(CC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300005637215	0	59	0.0	-51.31	443.58	13.66	-37.65
CCC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(C)C=C1	REAL300005637216	0	53	0.0	-52.03	395.80	11.53	-40.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC=CC2=CC=C(F)C=C2)C1	REAL300005637217	0	47	0.0	-52.17	367.99	10.31	-41.86
CC(C)C1=NN(C)C(Cl)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637218	0	49	0.0	-50.08	386.95	8.61	-41.47
CC1=CC=C(C2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=CO2)C=C1	REAL300005637219	0	49	0.0	-59.59	387.35	7.24	-52.35
CCCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005637220	0	45	0.0	-52.10	354.89	7.26	-44.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)C2=CC3=CC=CC=C3N2)C1	REAL300005637221	0	51	0.0	-58.77	398.63	6.64	-52.13
COCCOCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1F	REAL300005637222	0	54	0.0	-54.53	419.97	8.07	-46.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2CCCCC2)C1	REAL300005637223	0	53	0.0	-50.29	383.77	10.55	-39.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C(C)(C)C)=C2)C1	REAL300005637224	0	48	0.0	-56.15	364.05	8.47	-47.68
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)S2	REAL300005637225	0	52	0.0	-52.39	405.37	9.47	-42.92
CCN1N=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Cl	REAL300005637226	0	46	0.0	-50.30	367.03	8.20	-42.10
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1N1C=NC=N1	REAL300005637227	0	49	0.0	-55.27	373.27	11.34	-43.93
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637228	0	49	0.0	-52.26	372.75	11.55	-40.71
CN1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C1=CC=CC=C1	REAL300005637229	0	51	0.0	-55.16	381.78	10.52	-44.64
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(F)=C1	REAL300005637230	0	46	0.0	-54.52	352.29	9.34	-45.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3=CC=CS3)N=N2)C1	REAL300005637231	0	46	0.0	-61.67	375.69	7.79	-53.88
CC1=NN(C)C(C)=C1CC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637232	0	55	0.0	-55.75	404.08	8.61	-47.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(C3=CC=CC=C3)CC2)C1	REAL300005637233	0	56	0.0	-51.30	408.70	11.78	-39.52
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637234	0	45	0.0	-52.52	347.82	9.71	-42.81
COC1=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1[N+](=O)[O-]	REAL300005637235	0	50	0.0	-58.42	394.95	9.59	-48.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=C(F)C=C2F)C1	REAL300005637236	0	50	0.0	-53.37	394.53	9.45	-43.92
CCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005637237	0	45	0.0	-53.38	353.77	7.16	-46.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(S(C)(=O)=O)CCCC2)C1	REAL300005637238	0	49	0.0	-63.18	357.57	5.07	-58.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC3=CC=C([N+](=O)[O-])C=C23)C1	REAL300005637239	0	46	0.0	-56.81	366.70	8.60	-48.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3=NC=CC=N3)S2)C1	REAL300005637240	0	44	0.0	-60.19	361.41	6.13	-54.06
CCC(C)C(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005637241	0	59	0.0	-64.30	419.88	9.21	-55.09
COC1=CC(Br)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637242	0	44	0.0	-48.52	351.86	8.68	-39.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300005637243	0	46	0.0	-54.19	350.91	10.18	-44.01
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1[N+](=O)[O-]	REAL300005637244	0	46	0.0	-56.89	361.14	8.65	-48.24
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005637245	0	46	0.0	-52.45	343.16	9.08	-43.37
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CC=C1[N+](=O)[O-]	REAL300005637246	0	45	0.0	-55.30	347.83	9.02	-46.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300005637247	0	56	0.0	-52.03	419.33	12.83	-39.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CC2=CC=CC=C2)C1	REAL300005637248	0	53	0.0	-49.05	396.94	12.69	-36.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC3CCC2C3)C1	REAL300005637249	0	50	0.0	-49.09	354.72	9.50	-39.59
COC1=CC(OC)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005637250	0	52	0.0	-58.05	394.95	6.80	-51.25
CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637251	0	49	0.0	-50.91	365.46	9.89	-41.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300005637252	0	46	0.0	-53.62	367.52	10.09	-43.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300005637253	0	43	0.0	-47.97	352.24	10.32	-37.65
CC1=CC=CC(NC2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005637254	0	58	0.0	-52.27	433.32	11.76	-40.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C3=CC=C(F)C=C3S2)C1	REAL300005637255	0	43	0.0	-47.46	358.63	10.38	-37.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(Br)C=C2)C1	REAL300005637256	0	43	0.0	-51.35	351.83	9.55	-41.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2CCCCC2)C1	REAL300005637257	0	52	0.0	-49.82	372.72	9.89	-39.93
CC1=CC=C(C(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005637258	0	47	0.0	-57.85	378.83	6.49	-51.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2CCS(=O)(=O)C2)C1	REAL300005637259	0	47	0.0	-58.75	378.59	5.31	-53.44
CNS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637260	0	48	0.0	-55.84	383.12	4.12	-51.72
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637261	0	46	0.0	-59.62	362.99	8.14	-51.48
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C([N+](=O)[O-])C=C1OC	REAL300005637262	0	53	0.0	-56.54	411.78	9.57	-46.97
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005637263	0	47	0.0	-54.63	366.27	8.30	-46.33
CC(C)CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637264	0	55	0.0	-51.32	411.69	11.61	-39.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCNC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300005637265	0	53	0.0	-57.19	415.25	9.32	-47.87
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637266	0	56	0.0	-56.99	425.88	10.99	-46.00
CC1=CC=NN1C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637267	0	50	0.0	-58.83	383.18	9.51	-49.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCS(=O)(=O)C2)C1	REAL300005637268	0	46	0.0	-59.04	353.01	4.58	-54.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3CCCC3=O)=C2)C1	REAL300005637269	0	51	0.0	-58.83	381.39	8.96	-49.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300005637270	0	46	0.0	-68.28	352.21	8.46	-59.82
CON(C)S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637271	0	52	0.0	-55.99	413.66	5.93	-50.06
CCOC1=CC([N+](=O)[O-])=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005637272	0	53	0.0	-56.55	411.78	9.56	-46.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OCC2=CSC=N2)C1	REAL300005637273	0	50	0.0	-49.52	393.72	9.39	-40.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(CC2=CC=CC=C2)N2C=NN=N2)C1	REAL300005637274	0	51	0.0	-54.01	394.12	9.71	-44.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300005637275	0	50	0.0	-52.90	383.67	10.01	-42.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300005637276	0	47	0.0	-52.56	357.71	9.53	-43.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OCCOC3=C2)C1	REAL300005637277	0	46	0.0	-54.94	349.27	7.04	-47.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCNC(=O)C2=CSC=C2)C1	REAL300005637278	0	50	0.0	-58.73	399.85	7.09	-51.64
CC1=NOC(C(C)C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637279	0	48	0.0	-53.74	365.79	8.92	-44.82
CCOC1=CC=CC=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637280	0	53	0.0	-53.02	402.10	10.02	-43.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(C(C)(C)C)C=C2)C1	REAL300005637281	0	58	0.0	-51.53	428.14	12.05	-39.48
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(F)=C1	REAL300005637282	0	44	0.0	-47.61	337.17	7.82	-39.79
CC(C)C(NC(=O)C1=CC=CS1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637283	0	53	0.0	-58.73	404.69	7.83	-50.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300005637284	0	52	0.0	-55.28	415.52	5.80	-49.48
COC1=CC=C(N2C(C)=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C)C=C1	REAL300005637285	0	58	0.0	-54.93	440.68	11.17	-43.76
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C12	REAL300005637286	0	50	0.0	-55.73	379.53	9.52	-46.21
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)NC(=O)C1=CC=CC=C1	REAL300005637287	0	53	0.0	-57.07	406.37	8.53	-48.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2NC(=O)C3=CC=CC=C3C2=O)C1	REAL300005637288	0	52	0.0	-58.47	407.13	6.83	-51.64
CC(C)C1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637289	0	53	0.0	-52.74	399.65	10.77	-41.97
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637290	0	51	0.0	-59.99	395.63	9.11	-50.88
CC(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637291	0	50	0.0	-55.00	388.75	6.97	-48.03
CC(=O)NC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637292	0	50	0.0	-58.83	386.62	7.82	-51.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2C(C)(C)C)C1	REAL300005637293	0	56	0.0	-52.40	410.62	11.36	-41.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CC3)N(C3=CC=CC=C3)N=N2)C1	REAL300005637294	0	53	0.0	-64.49	404.14	9.74	-54.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCS(=O)(=O)C2)C1	REAL300005637295	0	43	0.0	-61.49	333.87	3.80	-57.69
CC1=CC2=CC=CC=C2N1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637296	0	50	0.0	-54.32	383.60	10.82	-43.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(S2)C2=C(C=CC=C2)S3)C1	REAL300005637297	0	46	0.0	-49.55	373.76	11.25	-38.30
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637298	0	55	0.0	-56.69	411.34	11.98	-44.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=C(Cl)C=C2)C1	REAL300005637299	0	50	0.0	-51.97	398.63	9.83	-42.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=CC3=CC=CC=C32)C1	REAL300005637300	0	56	0.0	-54.05	426.94	11.66	-42.39
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC=C1C	REAL300005637301	0	53	0.0	-58.01	405.69	10.46	-47.55
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OC1CCCC1	REAL300005637302	0	58	0.0	-54.10	427.25	9.94	-44.16
COCCSCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637303	0	44	0.0	-52.22	348.72	6.38	-45.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)CC2=CC=CC(F)=C2)C1	REAL300005637304	0	50	0.0	-60.38	395.91	7.44	-52.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(OC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300005637305	0	54	0.0	-52.68	410.60	12.03	-40.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2CCCCCCC2=O)C1	REAL300005637306	0	53	0.0	-47.98	370.24	9.05	-38.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC(Br)=CC=C3N2)C1	REAL300005637307	0	44	0.0	-51.38	357.37	8.97	-42.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OCC3=CC=CS3)=C2)C1	REAL300005637308	0	51	0.0	-53.93	406.33	10.23	-43.70
CN1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(Cl)=C1Cl	REAL300005637309	0	41	0.0	-49.43	336.11	8.70	-40.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2CCCS2(=O)=O)C1	REAL300005637310	0	48	0.0	-61.76	373.61	4.26	-57.50
CCCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637311	0	54	0.0	-53.49	412.10	10.47	-43.02
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637312	0	47	0.0	-52.22	359.37	10.22	-42.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=CC=CC=C32)C1	REAL300005637313	0	50	0.0	-51.71	357.70	10.66	-41.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=NC(C3=CC=CS3)=NO2)C1	REAL300005637314	0	51	0.0	-56.17	415.24	8.15	-48.02
CC1=NC(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)=CS1	REAL300005637315	0	49	0.0	-55.76	390.19	9.31	-46.45
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)S(C)(=O)=O	REAL300005637316	0	42	0.0	-59.19	326.37	3.91	-55.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CS(=O)(=O)CCCC2=CC=CC=C2)C1	REAL300005637317	0	55	0.0	-61.52	436.42	8.48	-53.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CS(=O)(=O)C2CCCC2)C1	REAL300005637318	0	49	0.0	-58.80	375.45	5.82	-52.98
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637319	0	52	0.0	-54.39	378.07	8.58	-45.81
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637320	0	52	0.0	-55.12	393.19	7.63	-47.49
CCCC(=O)N1CSCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637321	0	51	0.0	-64.49	385.73	7.97	-56.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CSCN2C(=O)CC(C)(C)C)C1	REAL300005637322	0	57	0.0	-61.93	417.43	9.09	-52.84
CCCCC(=O)N1CSCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637323	0	54	0.0	-64.61	407.23	8.75	-55.86
CC(C)OC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637324	0	53	0.0	-52.97	398.79	9.85	-43.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(N)=O)=C2)C1	REAL300005637325	0	44	0.0	-57.56	339.31	4.65	-52.91
C=CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637326	0	48	0.0	-69.23	368.92	8.70	-60.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)NCC2=CC=C(Cl)C=C2)C1	REAL300005637327	0	52	0.0	-57.78	422.18	6.59	-51.19
CC(C)CCC(=O)NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637328	0	52	0.0	-53.04	384.39	6.95	-46.09
CC1CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC(C)(C)C1	REAL300005637329	0	58	0.0	-49.53	402.42	10.63	-38.90
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637330	0	50	0.0	-85.38	390.07	10.21	-75.17
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637331	0	47	0.0	-46.48	380.80	10.68	-35.80
COC1=CC=C(CCCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637332	0	59	0.0	-52.85	445.93	11.38	-41.47
CCSC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C	REAL300005637333	0	49	0.0	-50.61	368.09	8.90	-41.71
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C2=CSC=C2)O1	REAL300005637334	0	49	0.0	-56.46	398.56	6.97	-49.49
CCN1N=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005637335	0	49	0.0	-53.39	369.20	8.32	-45.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)N2CCCCC2=O)C1	REAL300005637336	0	57	0.0	-56.46	418.48	11.21	-45.25
CC(C)CC(=O)NC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637337	0	59	0.0	-59.50	442.41	9.46	-50.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300005637338	0	52	0.0	-54.30	387.18	10.44	-43.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC(OC3CCCC3)=C2)C1	REAL300005637339	0	60	0.0	-53.08	446.03	11.93	-41.15
CC(C)OC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637340	0	54	0.0	-52.39	409.56	10.32	-42.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C(C(C)(C)C)C=C2)C1	REAL300005637341	0	61	0.0	-51.29	449.63	12.84	-38.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC=CC=C32)C1	REAL300005637342	0	47	0.0	-46.93	346.16	10.43	-36.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300005637343	0	48	0.0	-59.02	384.72	3.89	-55.13
CN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C(F)F	REAL300005637344	0	43	0.0	-50.25	330.16	6.77	-43.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2N)C1	REAL300005637345	0	44	0.0	-55.35	344.00	6.81	-48.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CC=CC=C3Cl)=N2)C1	REAL300005637346	0	46	0.0	-47.43	374.20	10.34	-37.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(C(F)(F)F)=C3)CC2)C1	REAL300005637347	0	50	0.0	-51.07	394.19	10.80	-40.27
CC(=O)NC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=C(F)C=CC=C1F	REAL300005637348	0	53	0.0	-59.44	407.47	8.92	-50.52
CC1=CC=CC=C1C1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005637349	0	49	0.0	-51.29	382.36	10.46	-40.83
CC(C)C(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637350	0	55	0.0	-49.89	402.88	11.24	-38.65
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C2OCCOC2=C1	REAL300005637351	0	52	0.0	-55.53	390.39	8.41	-47.12
CCC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637352	0	52	0.0	-51.24	385.08	10.82	-40.42
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(CC(C)C)=N1	REAL300005637353	0	51	0.0	-53.13	392.01	8.40	-44.73
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1CC1CC1	REAL300005637354	0	54	0.0	-53.94	404.54	11.02	-42.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(C3=CC=CC=C3)=N2)C1	REAL300005637355	0	46	0.0	-52.16	356.90	8.12	-44.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(=O)NCCCC2=CC=CC=C2)C1	REAL300005637356	0	53	0.0	-59.04	409.39	7.96	-51.08
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005637357	0	51	0.0	-54.65	385.81	8.02	-46.63
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1[N+](=O)[O-]	REAL300005637358	0	50	0.0	-55.23	386.00	9.16	-46.07
CC1=CC=C(NC(=O)CSCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637359	0	54	0.0	-58.67	429.98	9.28	-49.39
CC(C)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637360	0	53	0.0	-52.03	399.48	11.34	-40.69
CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005637361	0	50	0.0	-53.22	380.93	10.23	-42.99
CCCC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637362	0	49	0.0	-46.19	371.18	10.20	-35.99
CCCOC1=C(Cl)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005637363	0	54	0.0	-52.90	422.57	10.06	-42.84
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637364	0	50	0.0	-58.31	385.73	8.63	-49.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(Br)S2)C1	REAL300005637365	0	41	0.0	-47.25	345.14	9.76	-37.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3N2)C1	REAL300005637366	0	44	0.0	-47.78	330.41	8.87	-38.91
CC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637367	0	43	0.0	-46.62	330.50	8.76	-37.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)C1	REAL300005637368	0	46	0.0	-63.52	382.39	5.95	-57.57
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OC(C)C	REAL300005637369	0	58	0.0	-54.50	437.86	10.19	-44.31
CC1=CC(NC(=O)CSCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005637370	0	50	0.0	-58.64	404.64	7.79	-50.85
CCC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637371	0	46	0.0	-46.39	349.68	9.44	-36.95
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637372	0	49	0.0	-64.04	388.94	2.42	-61.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(COC3=CC=CC=C3)O2)C1	REAL300005637373	0	51	0.0	-51.97	392.83	10.18	-41.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2S(C)(=O)=O)C1	REAL300005637375	0	48	0.0	-55.31	364.08	5.14	-50.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC(Cl)=C2)C1	REAL300005637376	0	44	0.0	-52.37	356.18	9.35	-43.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300005637377	0	54	0.0	-53.43	401.03	10.12	-43.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300005637378	0	47	0.0	-73.71	375.58	8.59	-65.12
CCCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637379	0	50	0.0	-54.52	378.13	8.91	-45.61
CC(SCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637380	0	50	0.0	-52.30	391.22	10.78	-41.52
CC(C)C1=CC=C(SCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637381	0	53	0.0	-51.90	409.25	11.36	-40.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(SCC3=CC=CC=C3)C=C2)C1	REAL300005637382	0	54	0.0	-68.95	427.96	12.82	-56.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2C(F)(F)F)C1	REAL300005637383	0	47	0.0	-54.25	376.93	9.88	-44.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(F)C=C2F)C1	REAL300005637384	0	44	0.0	-53.35	352.09	8.97	-44.38
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C(C)C1=CC=CC=C1	REAL300005637385	0	60	0.0	-55.00	434.72	12.13	-42.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2C=CC=CC2=O)C1	REAL300005637386	0	46	0.0	-61.18	355.74	8.00	-53.18
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637387	0	59	0.0	-77.69	430.54	11.53	-66.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(Br)=C2)C1	REAL300005637388	0	37	0.0	-52.58	307.84	6.65	-45.93
CC(C)CC1=NNC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637389	0	49	0.0	-53.90	368.55	7.38	-46.52
CC(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1	REAL300005637389	1	49	0.0	-49.24	361.37	8.01	-41.23
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1N1C=NN=N1	REAL300005637390	0	48	0.0	-57.85	373.90	9.02	-48.83
CC1=CC(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1Cl	REAL300005637391	0	50	0.0	-51.71	389.35	10.32	-41.39
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1CC1=CC=CC=C1	REAL300005637392	0	53	0.0	-54.42	399.02	10.37	-44.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)N2C=CC=N2)C1	REAL300005637393	0	50	0.0	-59.09	380.07	9.70	-49.39
COC1=CC=CC(Cl)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637394	0	44	0.0	-54.40	354.61	7.85	-46.55
CC1=CNC(=O)N1C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637395	0	51	0.0	-58.15	398.15	8.78	-49.37
CC1=CC=C2OC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1	REAL300005637396	0	46	0.0	-56.00	355.16	9.31	-46.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC(F)=CC=C2F)C1	REAL300005637397	0	46	0.0	-52.09	363.79	9.82	-42.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2C=C([N+](=O)[O-])C=N2)C1	REAL300005637398	0	45	0.0	-58.36	363.10	7.62	-50.74
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC2=C(C)C=CC=C12	REAL300005637399	0	49	0.0	-57.33	373.69	9.98	-47.35
COCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005637400	0	54	0.0	-54.49	416.45	9.60	-44.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C)(C)C2=CC=CC=C2)C1	REAL300005637401	0	52	0.0	-51.02	375.93	10.49	-40.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2C(=O)C(C)(C)C)C1	REAL300005637402	0	56	0.0	-55.23	394.09	9.00	-46.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CSC3(C)CCC(=O)N23)C1	REAL300005637403	0	49	0.0	-54.53	368.84	8.45	-46.08
CC(C)C(SCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637404	0	56	0.0	-51.58	427.83	11.92	-39.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC(=O)NC2CCCC2)C1	REAL300005637405	0	53	0.0	-58.06	395.64	7.27	-50.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CO3)=NC3=CC=CC=C32)C1	REAL300005637406	0	52	0.0	-60.50	407.82	10.09	-50.41
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(O)=C1	REAL300005637407	0	44	0.0	-46.61	329.62	7.20	-39.41
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637408	0	49	0.0	-51.93	366.67	9.85	-42.08
CC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005637409	0	49	0.0	-54.04	370.49	9.81	-44.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2OCCC3=CC=CC=C32)C1	REAL300005637410	0	48	0.0	-54.32	352.06	8.97	-45.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)O2)C1	REAL300005637411	0	37	0.0	-49.61	298.10	7.36	-42.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300005637412	0	40	0.0	-52.01	332.70	8.57	-43.44
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Br)=C1	REAL300005637413	0	44	0.0	-47.39	349.87	8.34	-39.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC=C3)N=C2C(C)(C)C)C1	REAL300005637414	0	59	0.0	-57.64	439.83	11.41	-46.23
COC1=CC=C(C(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005637415	0	57	0.0	-57.39	407.97	8.64	-48.75
COC1=CC=CC=C1C(C)(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637416	0	53	0.0	-51.87	372.84	9.13	-42.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC([N+](=O)[O-])=N2)C1	REAL300005637417	0	42	0.0	-53.71	333.53	8.15	-45.56
CCOCCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCC1	REAL300005637418	0	56	0.0	-52.70	397.32	8.51	-44.19
CC1=CC(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)S1	REAL300005637419	0	52	0.0	-51.60	403.16	10.91	-40.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCCCC2)C1	REAL300005637420	0	52	0.0	-49.10	362.09	9.62	-39.48
CC1=CC=C2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)SC2=C1	REAL300005637421	0	48	0.0	-66.61	373.76	10.39	-56.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N)C([N+](=O)[O-])=C2)C1	REAL300005637422	0	44	0.0	-53.71	342.40	6.57	-47.14
CN(C)S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1	REAL300005637423	0	51	0.0	-56.32	400.34	5.86	-50.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300005637424	0	57	0.0	-45.33	380.03	11.36	-33.97
COC1=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(OC)=C1OC	REAL300005637425	0	58	0.0	-58.02	443.84	8.85	-49.17
COC1=CC2=CC=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637426	0	50	0.0	-56.04	382.35	9.84	-46.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(C(C)(C)C)CC2)C1	REAL300005637427	0	58	0.0	-49.88	400.24	10.34	-39.54
CC1=CC(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1Cl	REAL300005637428	0	53	0.0	-52.13	417.36	10.43	-41.70
CC(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Cl)C=C1	REAL300005637429	0	52	0.0	-50.17	400.57	10.97	-39.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=C(C(C)(C)C)C=C2)C1	REAL300005637430	0	62	0.0	-52.15	458.07	11.63	-40.52
CC(C)COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637431	0	53	0.0	-68.99	397.62	9.61	-59.38
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OCC(C)C	REAL300005637432	0	57	0.0	-54.83	427.84	9.51	-45.32
CCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637433	0	50	0.0	-68.93	377.51	8.91	-60.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2C(=O)OC(C)(C)C)C1	REAL300005637434	0	57	0.0	-54.80	418.33	8.47	-46.33
CCC(OC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637435	0	50	0.0	-77.93	368.71	9.73	-68.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC3=CC=CC=C32)C1	REAL300005637436	0	50	0.0	-54.46	384.49	11.14	-43.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CCCC2)C1	REAL300005637437	0	53	0.0	-52.72	374.75	10.86	-41.86
CCC1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637438	0	50	0.0	-52.99	382.34	10.28	-42.71
CCOC1=CC=C2OC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(C)C2=C1	REAL300005637439	0	53	0.0	-56.48	403.66	9.53	-46.95
CCC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=COC2=C1	REAL300005637440	0	52	0.0	-53.92	401.47	10.74	-43.18
CSC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637441	0	44	0.0	-48.21	339.68	9.41	-38.80
CC(C)C1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637442	0	53	0.0	-53.04	398.06	10.81	-42.23
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005637443	0	49	0.0	-52.10	368.95	10.13	-41.97
CCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OCC	REAL300005637444	0	57	0.0	-54.87	429.58	9.76	-45.11
CC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005637445	0	50	0.0	-52.58	388.96	10.68	-41.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)C1	REAL300005637446	0	60	0.0	-44.58	396.64	11.10	-33.48
CSC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1[N+](=O)[O-]	REAL300005637447	0	46	0.0	-55.63	369.34	9.41	-46.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(=O)(=O)C(F)F)C=C2)C1	REAL300005637448	0	46	0.0	-58.00	380.40	5.90	-52.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSCC2=CC=C(F)C=C2)C1	REAL300005637449	0	47	0.0	-52.80	381.37	10.41	-42.39
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300005637450	0	50	0.0	-56.25	398.02	9.96	-46.29
COC1=CC(OC)=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1	REAL300005637451	0	52	0.0	-55.80	395.14	6.93	-48.87
CC1=C2C(=CC=C1)SC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)=C2Cl	REAL300005637452	0	46	0.0	-48.28	366.62	10.74	-37.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCN2C(=O)OC(C)(C)C)C1	REAL300005637453	0	60	0.0	-51.11	428.82	9.64	-41.47
CC(NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637454	0	53	0.0	-55.47	393.03	5.67	-49.80
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637455	0	59	0.0	-55.13	419.91	6.72	-48.41
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637456	0	62	0.0	-53.76	442.22	7.35	-46.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)OC(C)(C)C)C1	REAL300005637457	0	50	0.0	-50.81	369.24	5.52	-45.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300005637458	0	46	0.0	-52.46	359.77	9.63	-42.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(Br)=C2)C1	REAL300005637459	0	43	0.0	-51.63	351.83	9.54	-42.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC=CC=C32)C1	REAL300005637460	0	44	0.0	-51.48	334.18	9.37	-42.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC3=CC=CC=C23)C1	REAL300005637461	0	46	0.0	-52.57	367.03	10.30	-42.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C1	REAL300005637462	0	56	0.0	-54.02	400.23	6.95	-47.07
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(=O)OC(C)(C)C	REAL300005637463	0	53	0.0	-47.24	390.25	8.40	-38.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300005637464	0	40	0.0	-51.51	341.44	9.01	-42.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NC=CC3=CC=C2)C1	REAL300005637465	0	44	0.0	-55.32	338.97	7.99	-47.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3OCOC3=C2)C1	REAL300005637466	0	46	0.0	-54.42	356.60	7.59	-46.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OCCC3=C2)C1	REAL300005637467	0	45	0.0	-52.70	341.17	7.74	-44.96
COC1=C(OC)C=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1	REAL300005637468	0	52	0.0	-55.23	394.77	7.57	-47.66
CC1=CC=CC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637469	0	46	0.0	-53.87	349.06	9.16	-44.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(Br)C=C2)C1	REAL300005637470	0	46	0.0	-51.86	373.23	10.36	-41.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1	REAL300005637471	0	62	0.0	-55.40	430.48	7.84	-47.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(NC(=O)OC(C)(C)C)CCCC2)C1	REAL300005637472	0	60	0.0	-52.57	428.77	8.32	-44.25
CC(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637473	0	52	0.0	-50.77	382.74	10.40	-40.37
COC1=CC=CC(F)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637474	0	44	0.0	-55.26	345.12	7.45	-47.81
CC(OC1=CC=CC=C1F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637475	0	47	0.0	-54.00	359.80	9.26	-44.74
CCCCS(=O)(=O)N1CCCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637476	0	57	0.0	-54.88	427.10	7.67	-47.21
CCCCSCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637477	0	46	0.0	-51.05	358.05	8.89	-42.16
CC(C)SC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637478	0	50	0.0	-68.33	382.50	10.26	-58.07
CCC(OC1CCCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637479	0	56	0.0	-50.58	403.31	10.17	-40.41
CC1=C(C2CC2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=C1	REAL300005637480	0	47	0.0	-52.39	369.48	9.97	-42.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(CS(C)(=O)=O)CC2)C1	REAL300005637481	0	49	0.0	-57.25	374.38	6.14	-51.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(=O)C3=CNC=C3)C=C2)C1	REAL300005637482	0	50	0.0	-56.97	386.21	9.08	-47.89
CC1=CC=C(F)C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637483	0	47	0.0	-54.34	367.08	9.56	-44.78
CC1=CC=C(SC2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCCC2)C=C1	REAL300005637484	0	57	0.0	-54.14	415.63	11.64	-42.50
CC1=NN(C)C(C)=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637485	0	50	0.0	-57.34	388.28	7.82	-49.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CSCC2=CC=CO2)C1	REAL300005637486	0	45	0.0	-50.27	361.83	9.41	-40.86
CSC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(Cl)C=C1Cl	REAL300005637487	0	44	0.0	-52.89	377.37	9.89	-43.00
COC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005637488	0	51	0.0	-53.78	389.01	8.87	-44.91
CCC(CC)N1N=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637489	0	52	0.0	-53.03	382.29	8.70	-44.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(OCC3=CC=CC=C3)CCOCC2)C1	REAL300005637490	0	58	0.0	-51.64	406.83	9.29	-42.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCC(CC2Br)C3)C1	REAL300005637491	0	47	0.0	-69.76	346.36	9.03	-60.73
CC(C)COC1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637492	0	57	0.0	-53.89	432.40	10.56	-43.33
CN(C)S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CO1	REAL300005637493	0	48	0.0	-61.61	383.66	3.97	-57.64
CSCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637494	0	47	0.0	-54.56	372.68	9.85	-44.71
CC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1[N+](=O)[O-]	REAL300005637495	0	45	0.0	-59.61	364.17	7.09	-52.52
CCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637496	0	42	0.0	-54.60	327.84	4.37	-50.23
CC1=NN(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)C=C1	REAL300005637497	0	50	0.0	-57.26	385.99	9.68	-47.58
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637498	0	53	0.0	-51.24	387.11	6.18	-45.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1	REAL300005637499	0	60	0.0	-52.56	429.11	9.65	-42.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1	REAL300005637500	0	57	0.0	-55.07	418.22	8.46	-46.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1	REAL300005637501	0	60	0.0	-51.66	428.66	9.62	-42.04
COC1=CC=CC(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637502	0	50	0.0	-55.14	375.38	8.56	-46.58
CC1=CC=CC=C1C1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCOCC1	REAL300005637503	0	57	0.0	-48.03	382.92	9.42	-38.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCN2C(=O)OC(C)(C)C)C1	REAL300005637504	0	60	0.0	-56.49	436.87	9.07	-47.42
CC(C)CCOCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637505	0	49	0.0	-51.68	365.66	8.38	-43.30
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637506	0	45	0.0	-60.71	362.72	9.41	-51.30
CC1CCCCC1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637507	0	52	0.0	-49.03	366.85	9.68	-39.35
CCOC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637508	0	50	0.0	-51.74	378.82	9.67	-42.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=NN2C2=CC=CC=C2Cl)C1	REAL300005637509	0	46	0.0	-60.51	368.73	8.20	-52.31
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005637510	0	50	0.0	-52.48	398.08	11.22	-41.26
CC1=CC=CC(F)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637511	0	43	0.0	-53.96	335.41	8.67	-45.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCS(C)(=O)=O)C1	REAL300005637512	0	45	0.0	-60.44	355.66	4.27	-56.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3COCC3=C2)C1	REAL300005637513	0	45	0.0	-47.78	334.71	7.67	-40.11
CC1=CC=CC=C1C1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCCC1	REAL300005637514	0	59	0.0	-50.52	399.95	11.30	-39.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=NN=C3)C=C2)C1	REAL300005637515	0	46	0.0	-77.44	355.52	10.85	-66.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)O2)C1	REAL300005637516	0	47	0.0	-49.42	382.42	9.09	-40.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CSCN2C(=O)OC(C)(C)C)C1	REAL300005637517	0	55	0.0	-62.02	411.20	8.29	-53.73
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=C(Cl)C=CC=C1Cl	REAL300005637518	0	46	0.0	-50.61	362.34	9.88	-40.73
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637519	0	50	0.0	-48.27	394.92	11.78	-36.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1	REAL300005637520	0	62	0.0	-55.94	431.06	7.85	-48.09
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2CCCCC2)=N1	REAL300005637521	0	56	0.0	-48.68	406.39	9.96	-38.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC([N+](=O)[O-])=CC3=C2OCCO3)C1	REAL300005637522	0	48	0.0	-55.87	369.48	9.05	-46.82
CN1C=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005637523	0	53	0.0	-55.36	406.28	11.51	-43.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2CN(C(=O)OC(C)(C)C)C2)C1	REAL300005637524	0	58	0.0	-56.56	439.45	7.98	-48.58
CCC(OC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637525	0	50	0.0	-52.29	384.13	10.26	-42.03
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Cl)=C1	REAL300005637526	0	47	0.0	-46.84	368.77	9.18	-37.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C3CCCCC3=C2)C1	REAL300005637527	0	54	0.0	-53.20	402.18	11.33	-41.87
CC(CSC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637528	0	50	0.0	-52.13	394.44	10.70	-41.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3=CC=CC(F)=C3)N=N2)C1	REAL300005637529	0	49	0.0	-62.65	391.39	8.72	-53.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CNC3=CC=C([N+](=O)[O-])C=C23)C1	REAL300005637530	0	49	0.0	-56.82	384.87	10.14	-46.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC23CCCC2=CC=CC=C23)C1	REAL300005637531	0	54	0.0	-52.07	393.35	11.76	-40.31
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005637532	0	50	0.0	-47.03	394.45	11.73	-35.30
CC(C)CN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C(F)F	REAL300005637533	0	52	0.0	-54.34	390.78	8.19	-46.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NN(C3=CC=CC=C3)C=C2)C1	REAL300005637534	0	50	0.0	-56.81	380.90	10.27	-46.54
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)S(=O)(=O)C1CCOCC1	REAL300005637535	0	53	0.0	-59.31	398.53	4.61	-54.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC=C3)CC3CCC2C3)C1	REAL300005637536	0	60	0.0	-50.39	412.61	11.91	-38.48
CN1C=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005637537	0	51	0.0	-53.69	394.15	11.20	-42.49
CCCN1N=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005637538	0	52	0.0	-53.16	390.69	9.08	-44.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)C1	REAL300005637539	0	60	0.0	-54.79	438.37	8.10	-46.69
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1Br	REAL300005637540	0	49	0.0	-52.03	391.42	10.92	-41.11
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC2=CC=CC=C2O1	REAL300005637541	0	49	0.0	-58.14	370.50	10.86	-47.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(F)C=C2OC(F)F)C1	REAL300005637542	0	44	0.0	-52.06	346.74	8.40	-43.66
CC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005637543	0	56	0.0	-52.91	420.30	10.53	-42.38
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637544	0	59	0.0	-54.17	429.60	8.64	-45.53
CCSC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637545	0	47	0.0	-53.11	382.13	10.22	-42.89
CC(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1CCCS1(=O)=O	REAL300005637546	0	54	0.0	-62.61	398.29	5.70	-56.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(Cl)C(Cl)=C3)CCC2)C1	REAL300005637547	0	50	0.0	-51.35	397.38	11.05	-40.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)C1	REAL300005637548	0	59	0.0	-78.80	420.57	6.55	-72.25
CC1=CC=C2NC=C(CCC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005637549	0	53	0.0	-55.07	405.22	10.46	-44.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)CC2=CC=CC(Cl)=C2)C1	REAL300005637550	0	52	0.0	-51.23	390.05	10.51	-40.72
CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005637551	0	52	0.0	-71.21	402.99	10.96	-60.25
COC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005637552	0	54	0.0	-54.54	404.60	8.47	-46.07
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC(C)=CC=C1C	REAL300005637553	0	56	0.0	-56.12	418.38	10.99	-45.13
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1OC(F)F	REAL300005637554	0	51	0.0	-55.44	398.15	9.84	-45.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC=C2OC2CCCC2)C1	REAL300005637555	0	54	0.0	-52.62	413.48	11.61	-41.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CSC3=CC=CC=C23)C1	REAL300005637556	0	52	0.0	-52.99	409.78	11.86	-41.13
COC1=CC=C(Br)C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637557	0	47	0.0	-52.16	377.85	8.71	-43.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=C(Cl)SC(Cl)=C2)C1	REAL300005637558	0	46	0.0	-50.59	395.80	10.61	-39.98
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005637559	0	51	0.0	-57.69	400.53	4.81	-52.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCNC(=O)OC(C)(C)C)C1	REAL300005637560	0	56	0.0	-55.25	418.53	6.48	-48.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC([N+](=O)[O-])=CN2)C1	REAL300005637561	0	40	0.0	-54.48	320.03	6.98	-47.50
COC1=CC=C(Cl)C=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637562	0	47	0.0	-52.33	375.73	8.81	-43.52
CCCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637563	0	52	0.0	-52.03	392.44	10.96	-41.07
CC(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(Cl)=C1	REAL300005637564	0	52	0.0	-52.47	399.51	10.93	-41.54
CC1=CC=C(C2=NN(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=N2)C=C1	REAL300005637565	0	51	0.0	-56.65	403.62	8.55	-48.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=NC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300005637566	0	48	0.0	-55.25	398.95	8.40	-46.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)C1	REAL300005637567	0	60	0.0	-59.49	429.14	9.04	-50.45
CC(=O)C1=C(C)OC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637568	0	51	0.0	-56.00	396.65	9.28	-46.72
CCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005637569	0	50	0.0	-54.35	382.77	10.55	-43.80
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1CC(F)(F)F	REAL300005637570	0	50	0.0	-54.19	385.88	9.69	-44.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2SCC2=CC=CO2)C1	REAL300005637571	0	51	0.0	-48.17	398.00	11.34	-36.83
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637572	0	43	0.0	-62.32	337.42	8.06	-54.26
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=C1OC(C)C2	REAL300005637573	0	52	0.0	-55.15	391.77	7.77	-47.38
CN1C=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637574	0	41	0.0	-54.64	324.30	7.84	-46.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C#CC3=CC=CC=C3)C=C2)C1	REAL300005637575	0	52	0.0	-68.72	413.67	13.06	-55.66
CC1=CC=C(NC2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637576	0	55	0.0	-47.33	414.52	11.59	-35.74
CC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005637577	0	49	0.0	-52.17	387.41	10.82	-41.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005637578	0	50	0.0	-52.32	396.64	11.25	-41.07
CC(C)C1CCC(C)CC1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637579	0	62	0.0	-54.69	431.91	11.44	-43.25
CCC(C)C1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637580	0	56	0.0	-52.98	416.52	11.46	-41.52
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC([N+](=O)[O-])=C1	REAL300005637581	0	46	0.0	-55.12	358.24	8.40	-46.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CSC3=CC=CC=C32)C1	REAL300005637582	0	45	0.0	-51.40	347.13	9.38	-42.02
CCC1=CC=C(C(C)CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637583	0	55	0.0	-51.35	408.27	11.62	-39.73
CCC(OC1=CC=CC=C1C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637584	0	53	0.0	-52.15	388.18	10.45	-41.70
CSCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1F	REAL300005637585	0	47	0.0	-52.75	377.14	9.81	-42.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1	REAL300005637586	0	59	0.0	-53.29	421.54	6.83	-46.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1	REAL300005637587	0	57	0.0	-56.24	425.44	8.18	-48.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC(Cl)=C3)CCCC2)C1	REAL300005637588	0	56	0.0	-49.16	399.94	12.48	-36.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC=C3)CCC2)C1	REAL300005637589	0	53	0.0	-48.74	373.42	10.63	-38.11
CCC1=NOC(CC)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637590	0	51	0.0	-53.25	389.66	9.23	-44.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC=C3)CC2)C1	REAL300005637591	0	50	0.0	-51.59	381.70	10.74	-40.85
COC1=CC=CC(OC)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637592	0	51	0.0	-55.58	386.86	7.66	-47.92
CC(C)CC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC1	REAL300005637593	0	52	0.0	-73.08	357.30	8.91	-64.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2SC2=CC=CC=C2)C1	REAL300005637594	0	51	0.0	-61.38	392.61	12.25	-49.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CNC(=O)OC(C)(C)C)O2)C1	REAL300005637595	0	57	0.0	-53.27	429.46	7.38	-45.89
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(Cl)=C1	REAL300005637596	0	46	0.0	-52.97	362.62	9.79	-43.18
CCC(OC1CCCC(C)C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637597	0	59	0.0	-54.62	410.16	10.71	-43.91
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637598	0	50	0.0	-49.21	396.76	10.68	-38.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NN(C3=CC=C(F)C=C3)C=C2)C1	REAL300005637599	0	50	0.0	-55.15	387.31	10.34	-44.81
COC1=CC=C(C(C)CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637600	0	53	0.0	-52.78	394.86	9.47	-43.31
COC1=CC=C(CC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637601	0	53	0.0	-52.44	397.06	9.37	-43.07
COC1=CC=C(C(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637602	0	53	0.0	-54.51	375.74	8.84	-45.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC(C)(C)C)C=C2)C1	REAL300005637603	0	53	0.0	-69.56	384.97	9.03	-60.53
CCCC(O)(CCC)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637604	0	55	0.0	-50.69	391.55	7.91	-42.78
COC1=CC=CC(C(C)CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637605	0	53	0.0	-52.73	394.86	9.46	-43.27
COCCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCC1	REAL300005637606	0	53	0.0	-52.61	375.47	7.54	-45.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3C=CN=N3)=C2)C1	REAL300005637607	0	46	0.0	-58.70	358.14	7.80	-50.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC23CCOCC3)C1	REAL300005637608	0	48	0.0	-51.88	348.93	7.18	-44.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCSCC2)C1	REAL300005637609	0	47	0.0	-50.90	350.25	8.88	-42.02
CC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005637610	0	49	0.0	-51.57	385.54	10.40	-41.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(O)C2=CC=CC(F)=C2)C1	REAL300005637611	0	47	0.0	-54.02	365.23	7.50	-46.52
CCC(OC1=CC=CC(C)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637612	0	53	0.0	-78.50	389.82	10.41	-68.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=CN=N3)C=C2)C1	REAL300005637613	0	46	0.0	-60.97	359.30	7.76	-53.21
COCCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC1	REAL300005637614	0	50	0.0	-51.75	363.35	7.00	-44.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300005637615	0	50	0.0	-60.92	400.12	6.37	-54.55
CN(C)S(=O)(=O)C1=CNC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637616	0	49	0.0	-56.37	387.66	4.15	-52.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC=C2N2C=NN=N2)C1	REAL300005637617	0	45	0.0	-57.91	366.62	8.84	-49.07
CC(OC1=CC=C2CCCC2=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637618	0	54	0.0	-52.86	399.48	11.11	-41.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC4=C(CCCCC4)C3=C2)C1	REAL300005637619	0	57	0.0	-55.16	414.22	10.78	-44.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(Cl)C(Cl)=CC=C3N2)C1	REAL300005637620	0	44	0.0	-51.33	367.87	9.32	-42.01
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C(C)(C)C	REAL300005637621	0	52	0.0	-53.20	374.36	8.45	-44.75
CC(SC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637622	0	47	0.0	-52.54	370.92	10.04	-42.50
CNC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1[N+](=O)[O-]	REAL300005637623	0	47	0.0	-53.79	361.82	7.51	-46.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2CCCS2(=O)=O)C1	REAL300005637624	0	45	0.0	-61.44	353.14	3.68	-57.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC(Br)=CS2)C1	REAL300005637625	0	41	0.0	-50.96	351.02	9.14	-41.82
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(S(=O)(=O)N(C)C)O1	REAL300005637626	0	51	0.0	-55.94	405.85	4.83	-51.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(NC(=O)OC(C)(C)C)CC2)C1	REAL300005637627	0	54	0.0	-53.03	404.20	7.21	-45.82
CC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Br	REAL300005637628	0	43	0.0	-56.62	354.43	6.93	-49.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)C1	REAL300005637629	0	63	0.0	-54.90	453.12	9.90	-45.00
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637630	0	51	0.0	-54.18	389.30	10.25	-43.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=C([N+](=O)[O-])C=N2)C1	REAL300005637631	0	42	0.0	-53.17	333.25	7.19	-45.98
CC1=NN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)C=C1	REAL300005637632	0	50	0.0	-56.08	386.18	9.71	-46.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CC3)N(C3=CC=CC=C3)N=C2)C1	REAL300005637633	0	54	0.0	-58.46	413.81	10.81	-47.65
CN1N=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637634	0	44	0.0	-54.84	341.97	7.07	-47.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=C(Cl)C=C3)N=N2)C1	REAL300005637635	0	46	0.0	-61.03	376.95	8.71	-52.32
COC1=CC=C2OCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1	REAL300005637636	0	50	0.0	-56.98	385.47	7.90	-49.08
COC1=CC=C(N2N=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C)C=C1	REAL300005637637	0	53	0.0	-62.63	404.51	7.91	-54.72
CC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(Cl)C2=C1	REAL300005637638	0	47	0.0	-47.23	368.81	10.02	-37.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Br)=CS2)C1	REAL300005637639	0	37	0.0	-50.77	316.60	7.48	-43.29
CC(C)C1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637640	0	49	0.0	-48.62	364.85	8.06	-40.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=CN=C3)C([N+](=O)[O-])=C2)C1	REAL300005637641	0	49	0.0	-56.55	386.87	10.59	-45.96
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)NC(=O)OC(C)(C)C	REAL300005637642	0	56	0.0	-54.12	416.39	6.99	-47.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)C1	REAL300005637643	0	57	0.0	-58.65	416.93	8.09	-50.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=C(Br)N2)C1	REAL300005637644	0	38	0.0	-50.62	327.71	7.22	-43.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NN(C3=CC=CC=C3)N=C2)C1	REAL300005637645	0	49	0.0	-57.10	384.20	8.75	-48.35
CC(C)C1=NC=NC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637646	0	47	0.0	-52.76	351.11	8.37	-44.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)C1	REAL300005637647	0	60	0.0	-54.72	449.41	10.49	-44.23
CC(C)N(CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(=O)OC(C)(C)C	REAL300005637648	0	62	0.0	-55.11	449.77	9.64	-45.47
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637649	0	47	0.0	-61.65	366.08	7.55	-54.10
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637650	0	52	0.0	-49.87	406.85	9.74	-40.13
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637651	0	54	0.0	-62.21	419.83	6.56	-55.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300005637652	0	47	0.0	-52.61	389.46	11.07	-41.54
CC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637653	0	47	0.0	-52.42	356.86	9.95	-42.47
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637654	0	56	0.0	-55.43	425.59	8.00	-47.43
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637655	0	49	0.0	-57.82	380.26	8.73	-49.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3CCCC3=C2)C1	REAL300005637656	0	47	0.0	-52.25	350.85	9.79	-42.46
CC(C)OCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637657	0	53	0.0	-54.44	403.75	9.41	-45.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CC3)=NN2C2=CC=CC=C2)C1	REAL300005637658	0	54	0.0	-55.27	409.70	11.03	-44.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSCC2=CC=CS2)C1	REAL300005637659	0	44	0.0	-52.36	365.19	9.43	-42.93
COC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005637660	0	50	0.0	-55.68	381.36	9.45	-46.23
CCOC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637661	0	51	0.0	-52.64	400.38	9.66	-42.98
COC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1OC	REAL300005637662	0	54	0.0	-56.05	412.31	9.05	-47.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(C)(C)C)C([N+](=O)[O-])=C2)C1	REAL300005637663	0	54	0.0	-53.98	393.71	10.40	-43.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300005637664	0	49	0.0	-54.21	368.55	7.85	-46.36
CCSC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637665	0	47	0.0	-48.02	361.15	10.26	-37.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C1	REAL300005637666	0	45	0.0	-47.52	351.22	8.56	-38.96
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005637667	0	44	0.0	-53.79	341.38	7.28	-46.51
COC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637668	0	48	0.0	-53.62	378.53	8.73	-44.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3SCCCS3)C=C2)C1	REAL300005637669	0	52	0.0	-67.82	405.19	11.76	-56.06
CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Br)=C1	REAL300005637670	0	47	0.0	-52.98	381.27	10.15	-42.83
CCC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637671	0	50	0.0	-52.17	382.22	10.87	-41.30
CCOC1=CC=C(OC(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637672	0	57	0.0	-74.86	408.44	9.27	-65.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1	REAL300005637673	0	60	0.0	-54.00	434.43	9.04	-44.96
CCN1C(C)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005637674	0	50	0.0	-53.98	371.58	9.45	-44.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NC(=O)OC(C)(C)C)=C2)C1	REAL300005637675	0	57	0.0	-55.59	426.73	8.11	-47.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(Cl)C3=CC=CC=C23)C1	REAL300005637676	0	50	0.0	-53.67	398.85	11.55	-42.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC(=O)OC(C)(C)C)C=C2)C1	REAL300005637677	0	57	0.0	-75.11	426.39	8.13	-66.98
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1[N+](=O)[O-]	REAL300005637678	0	49	0.0	-58.82	386.07	9.66	-49.16
CCCCCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637679	0	51	0.0	-54.41	392.34	6.73	-47.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCN(C(=O)OC(C)(C)C)CC2)C1	REAL300005637680	0	63	0.0	-53.13	438.64	8.97	-44.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCOC3)S2)C1	REAL300005637681	0	45	0.0	-47.50	343.63	7.59	-39.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=CC=C2Cl)C1	REAL300005637682	0	49	0.0	-50.29	358.74	9.48	-40.81
COC1=CC=CC=C1CC(C)=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637683	0	54	0.0	-52.44	407.03	10.42	-42.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2=CC=CC3=CC=CC=C32)C1	REAL300005637684	0	53	0.0	-53.47	400.27	12.36	-41.11
CC1=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=CC=C1	REAL300005637685	0	47	0.0	-52.67	357.31	9.00	-43.67
CC1=CC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(C)=C1Cl	REAL300005637686	0	50	0.0	-52.42	393.62	10.51	-41.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300005637687	0	48	0.0	-57.04	380.15	10.40	-46.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=CC=C3)O2)C1	REAL300005637688	0	48	0.0	-53.50	371.86	10.51	-42.99
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1F	REAL300005637689	0	44	0.0	-56.12	342.86	7.32	-48.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COCCN2C(=O)OC(C)(C)C)C1	REAL300005637690	0	58	0.0	-51.79	419.61	7.16	-44.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCCN2C(=O)OC(C)(C)C)C1	REAL300005637691	0	60	0.0	-63.39	411.42	9.53	-53.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3SC=CC3=C2)C1	REAL300005637692	0	43	0.0	-52.87	342.27	9.24	-43.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300005637693	0	49	0.0	-52.77	374.18	11.48	-41.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)CC2=CC=CC=C2)C1	REAL300005637694	0	52	0.0	-50.83	373.30	9.99	-40.84
CC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCOCC2)C=C1	REAL300005637695	0	57	0.0	-41.91	379.51	8.96	-32.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2CCOCC2)C1	REAL300005637696	0	48	0.0	-51.64	357.46	7.42	-44.22
CCC(SC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637697	0	50	0.0	-52.00	385.34	10.49	-41.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3)=CC=C2Cl)C1	REAL300005637698	0	50	0.0	-53.75	395.91	11.84	-41.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCS(=O)(=O)CC2)C1	REAL300005637699	0	46	0.0	-58.16	350.49	4.39	-53.77
CC(OC1CCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637700	0	50	0.0	-51.27	361.78	8.64	-42.63
CC1=CC(F)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005637701	0	43	0.0	-52.76	338.71	8.68	-44.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C(C)(C)C)C1	REAL300005637702	0	52	0.0	-48.29	363.40	11.30	-36.99
COC1=CSC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637703	0	41	0.0	-52.45	325.64	6.17	-46.28
CC(OC1CCCCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637704	0	56	0.0	-51.05	389.50	9.68	-41.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2CCCCC2)C1	REAL300005637705	0	50	0.0	-50.74	366.51	9.81	-40.93
CC(C)N1C=NN=C1SCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637706	0	49	0.0	-60.84	389.23	10.01	-50.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=C(F)C=C2)C1	REAL300005637707	0	47	0.0	-73.35	371.40	7.90	-65.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCN2C(=O)C2=CC=CC=C2)C1	REAL300005637708	0	57	0.0	-52.73	418.92	11.23	-41.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300005637709	0	45	0.0	-54.84	346.57	8.25	-46.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(C3=CN=CC=N3)CC2)C1	REAL300005637710	0	53	0.0	-54.10	391.24	6.74	-47.36
CC(C)C(=O)NC1=NC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005637711	0	52	0.0	-56.67	410.20	7.55	-49.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OCC3=CC=CN=C3)=C2)C1	REAL300005637712	0	53	0.0	-59.19	411.88	9.39	-49.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCOCC3)C=C2)C1	REAL300005637713	0	53	0.0	-48.72	382.78	7.22	-41.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2N2CCOCC2)C1	REAL300005637714	0	53	0.0	-51.77	390.49	7.62	-44.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC3=NC=CN23)C1	REAL300005637715	0	43	0.0	-56.22	347.60	8.53	-47.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NC=NC3=CC(F)=C2)C1	REAL300005637716	0	43	0.0	-59.11	339.72	7.66	-51.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2CC2=CC=CC=C2)C1	REAL300005637717	1	55	0.0	-51.61	399.47	8.34	-43.27
COC(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637718	0	48	0.0	-56.44	371.84	6.10	-50.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC#N)C=C2)C1	REAL300005637719	0	44	0.0	-59.94	348.80	9.13	-50.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCC3)C(S(N)(=O)=O)=C2)C1	REAL300005637720	0	52	0.0	-63.41	403.27	4.72	-58.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300005637721	0	49	0.0	-60.89	391.96	9.27	-51.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3CCCC3)C=C2)C1	REAL300005637722	0	50	0.0	-56.28	371.32	8.95	-47.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CN2C=CC=N2)C1	REAL300005637723	0	50	0.0	-50.68	379.23	10.04	-40.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(C)(C)C)N=CS2)C1	REAL300005637724	0	48	0.0	-50.05	358.00	8.79	-41.26
CC1=NC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)=NN1	REAL300005637725	0	49	0.0	-58.58	383.01	8.64	-49.94
COCCCS(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637726	0	51	0.0	-57.12	397.98	2.64	-54.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC(C3CCCC3)=NO2)C1	REAL300005637727	0	54	0.0	-54.87	409.08	7.70	-47.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC3=CC=CC=C32)C1	REAL300005637728	0	43	0.0	-50.47	325.73	7.67	-42.80
CNS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637729	0	48	0.0	-56.85	381.45	4.02	-52.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300005637730	0	43	0.0	-62.79	353.98	8.79	-54.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NC=CN=C3C=C2)C1	REAL300005637731	0	44	0.0	-57.48	341.85	6.33	-51.15
COC1=CC=C(O)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637732	0	45	0.0	-55.99	345.81	4.62	-51.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NC(N)=O)=C2)C1	REAL300005637733	0	46	0.0	-59.19	353.94	3.97	-55.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CN2C2=CC=CC=C2)C1	REAL300005637734	0	47	0.0	-51.13	352.99	10.82	-40.31
CCS(=O)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637735	0	48	0.0	-54.25	366.54	9.17	-45.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OCC(=O)NC3=C2)C1	REAL300005637736	0	46	0.0	-56.04	356.04	5.10	-50.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(O)C=C2)C1	REAL300005637737	0	44	0.0	-53.38	341.56	6.07	-47.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CS(C)=O)=C2)C1	REAL300005637738	0	48	0.0	-63.24	380.51	7.11	-56.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(N3C=CC=C3)C=CS2)C1	REAL300005637739	0	45	0.0	-47.37	353.15	10.38	-36.99
CN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1N1C=CC=C1	REAL300005637740	0	48	0.0	-56.05	370.72	9.20	-46.85
COC1=NC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637741	0	43	0.0	-54.93	333.56	4.91	-50.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CNN=C3C=C2)C1	REAL300005637742	0	43	0.0	-59.60	330.37	6.54	-53.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC3=C2CCCCC3)C1	REAL300005637743	0	49	0.0	-56.52	355.81	8.92	-47.60
CCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005637744	0	46	0.0	-51.54	345.28	7.77	-43.77
COC1=NC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637745	0	46	0.0	-54.55	353.75	5.85	-48.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CNC(=O)C(C)(C)C)C=C2)C1	REAL300005637746	0	59	0.0	-53.90	447.48	9.02	-44.88
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637747	0	59	0.0	-53.29	439.99	10.26	-43.03
CC(C)CC(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005637748	0	56	0.0	-58.37	424.29	9.04	-49.33
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1N1CCNC1=O	REAL300005637749	0	54	0.0	-64.21	414.77	6.30	-57.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCCO3)S2)C1	REAL300005637750	0	47	0.0	-56.68	369.26	6.02	-50.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSCC(F)(F)F)C1	REAL300005637751	0	40	0.0	-52.47	333.96	7.74	-44.73
COCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005637752	0	46	0.0	-54.50	365.94	5.45	-49.05
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1CC(C)C	REAL300005637753	0	52	0.0	-56.01	388.46	8.53	-47.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CNS(C)(=O)=O)O2)C1	REAL300005637754	0	48	0.0	-69.58	387.23	3.25	-66.33
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C2C=NN(C)C2=N1	REAL300005637755	0	48	0.0	-57.86	373.70	7.69	-50.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC3=CC=CC=C3C=C2)C1	REAL300005637756	0	55	0.0	-53.08	419.55	12.77	-40.31
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC1=CC=C(Cl)C=C1	REAL300005637757	0	52	0.0	-50.99	402.81	11.45	-39.54
CC(C)NC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637758	0	53	0.0	-76.76	403.28	7.83	-68.93
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)C=C1Br	REAL300005637759	0	46	0.0	-51.88	363.74	9.68	-42.20
CC1=CSC2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C(=O)N12	REAL300005637760	0	45	0.0	-51.24	356.71	8.17	-43.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(Br)C(F)=C2)C1	REAL300005637761	0	43	0.0	-52.42	357.54	9.59	-42.83
COC1=CC2=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C2C=C1	REAL300005637762	0	53	0.0	-54.69	402.69	10.36	-44.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OC2=CC=CN=C2)C1	REAL300005637763	0	50	0.0	-63.93	380.73	9.45	-54.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)C2CCCCC2)C1	REAL300005637764	0	56	0.0	-55.22	412.80	7.63	-47.59
CC(C)CN1N=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C21	REAL300005637765	0	54	0.0	-53.23	403.06	9.36	-43.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(OC3=CC=CC=C3)=C2)C1	REAL300005637766	0	50	0.0	-54.76	390.89	8.22	-46.54
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637767	0	49	0.0	-54.89	386.90	9.25	-45.64
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637768	0	49	0.0	-56.76	380.24	8.52	-48.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)C2=CC3=C(CCC3)S2)C1	REAL300005637769	0	51	0.0	-58.09	402.91	7.71	-50.38
CNC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005637770	0	46	0.0	-52.02	353.23	4.86	-47.16
CN(C)C(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637771	0	50	0.0	-78.67	376.55	7.74	-70.93
CN(C)C(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637772	0	50	0.0	-57.92	378.33	7.76	-50.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CN=CC=N3)=N2)C1	REAL300005637773	0	44	0.0	-54.94	354.33	6.32	-48.62
CN1C=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1=O	REAL300005637774	0	43	0.0	-62.50	334.71	6.85	-55.65
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C(C3CC3)N=C2C(C)=C1	REAL300005637775	0	58	0.0	-52.80	430.95	12.33	-40.47
CNS(=O)(=O)C1=CSC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637776	0	45	0.0	-56.33	373.07	2.98	-53.35
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637777	0	52	0.0	-58.92	405.51	10.89	-48.03
COC1=CC=C(C2=CN=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)C=C1	REAL300005637778	0	53	0.0	-54.84	403.97	8.83	-46.01
CC1=CC=CC(C2=CN=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)=C1	REAL300005637779	0	52	0.0	-54.15	395.93	10.20	-43.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=C2C=CS3)C1	REAL300005637780	0	47	0.0	-64.05	350.37	9.46	-54.59
CC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)S2)O1	REAL300005637781	0	47	0.0	-54.74	380.13	9.66	-45.08
CN1C(=O)CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1C1=CC=C(F)C=C1	REAL300005637782	0	54	0.0	-50.74	406.90	10.07	-40.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(OCC3=CC=CN=C3)=C2)C1	REAL300005637783	0	56	0.0	-56.27	436.64	10.42	-45.85
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Cl)S1	REAL300005637784	0	43	0.0	-45.66	347.37	9.61	-36.05
CC1=CC=C(CC2=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CS2)C=C1	REAL300005637785	0	52	0.0	-55.16	414.52	10.89	-44.27
CCC(C)OC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=N1	REAL300005637786	0	52	0.0	-56.03	395.47	7.29	-48.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(CC3=CC=CC(F)=C3)=N2)C1	REAL300005637787	0	49	0.0	-56.22	392.18	10.75	-45.47
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1CCCC1	REAL300005637788	0	53	0.0	-56.82	392.28	9.04	-47.78
CCC(C)N1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C1CC1	REAL300005637789	0	56	0.0	-57.14	410.11	9.62	-47.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCOC2CCOCC2)C1	REAL300005637790	0	51	0.0	-48.73	373.48	6.75	-41.98
CCOC1=CC(Cl)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637791	0	47	0.0	-48.30	369.15	9.51	-38.79
C=CCOC1=CC(OC)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637792	0	52	0.0	-47.29	390.86	9.40	-37.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=CC=C2OCC(F)(F)F)C1	REAL300005637793	0	46	0.0	-57.73	369.05	8.91	-48.82
C=CCOC1=CC=CN=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637794	0	47	0.0	-56.23	362.39	9.04	-47.19
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=C(C)C=C1	REAL300005637795	0	53	0.0	-52.90	400.72	11.31	-41.59
COC1=CC=C(N2N=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C)C=C1	REAL300005637796	0	54	0.0	-52.24	408.81	9.94	-42.30
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C(C)C	REAL300005637797	0	49	0.0	-52.72	363.74	8.20	-44.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC=C2Br)C1	REAL300005637798	0	39	0.0	-47.32	315.35	7.28	-40.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=CC=CC=C3C=C2)C1	REAL300005637799	0	45	0.0	-52.63	340.60	9.60	-43.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3=CC=CC=C3OC3=CC=CC=C32)C1	REAL300005637800	0	52	0.0	-55.70	394.43	10.99	-44.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(OCC3=CC=CC=C3)=C2)C1	REAL300005637801	0	53	0.0	-57.60	414.48	8.61	-48.99
COC1=CC=C(C(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637802	0	51	0.0	-59.53	394.29	6.00	-53.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(=O)NC3=CC=CC=C32)C1	REAL300005637803	0	46	0.0	-57.79	354.53	7.57	-50.22
COC1=CC=C(C(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005637804	0	55	0.0	-61.52	423.50	5.90	-55.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)C2=CC=C(C(C)(C)C)C=C2)C1	REAL300005637805	0	59	0.0	-58.12	440.99	9.01	-49.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCC3=NC3=CC=CC=C32)C1	REAL300005637806	0	52	0.0	-56.74	388.78	10.76	-45.98
CCOC1=CC=CC=C1C(=O)NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637807	0	54	0.0	-62.36	414.06	8.17	-54.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)C2=CC=CS2)C1	REAL300005637808	0	44	0.0	-57.91	357.03	5.69	-52.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)C2=CC=CC(F)=C2)C1	REAL300005637809	0	47	0.0	-60.28	371.29	6.76	-53.52
COC1=CC=CC(C(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637810	0	51	0.0	-61.53	394.36	5.99	-55.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)C2=CC=C3OCOC3=C2)C1	REAL300005637811	0	50	0.0	-61.19	390.90	5.36	-55.83
CCOC1=CC=C(C(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637812	0	54	0.0	-59.27	416.13	6.93	-52.34
CC1=CC(C(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1[N+](=O)[O-]	REAL300005637813	0	52	0.0	-58.86	409.03	7.88	-50.98
CC1=CC(Br)=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637814	0	46	0.0	-50.74	369.12	10.10	-40.64
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C1=CC=CC=N1	REAL300005637815	0	53	0.0	-57.42	404.43	9.57	-47.85
CC1=CN(CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NO2)N=C1	REAL300005637816	0	49	0.0	-60.10	387.13	8.26	-51.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3(C)NC(=O)NC3=O)=C2)C1	REAL300005637817	0	52	0.0	-57.21	400.13	4.66	-52.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=CN=C3)C=C2)C1	REAL300005637818	0	50	0.0	-56.23	389.76	8.98	-47.25
CC(=O)NC1=CC=C(F)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637819	0	47	0.0	-58.15	367.77	6.88	-51.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2SC(F)(F)F)C1	REAL300005637820	0	43	0.0	-54.55	359.75	8.18	-46.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC(C)(C)C2=CC=CC=C2)C1	REAL300005637821	0	55	0.0	-50.77	399.47	11.09	-39.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CO3)NC2=O)C1	REAL300005637822	0	47	0.0	-58.85	367.48	7.08	-51.77
CN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C1CC1	REAL300005637823	0	47	0.0	-57.14	357.06	7.63	-49.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(N3CCOCC3)C=C2)C1	REAL300005637824	0	57	0.0	-53.71	423.05	8.24	-45.47
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C(C3CC3)N=C2C=C1	REAL300005637825	0	55	0.0	-54.18	411.14	11.47	-42.71
COC1=NC=NC(OC)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637826	0	46	0.0	-56.77	364.12	3.16	-53.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC3=CC=CN=C32)C1	REAL300005637827	0	45	0.0	-51.07	348.44	9.06	-42.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C23)C1	REAL300005637828	0	47	0.0	-58.29	371.98	9.07	-49.22
CC1=CC=C(OCC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)C=N1	REAL300005637829	0	56	0.0	-55.21	433.06	9.98	-45.23
CC(=CC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637830	0	47	0.0	-76.19	369.56	10.21	-65.98
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1Cl	REAL300005637831	0	44	0.0	-53.72	351.22	7.75	-45.97
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637832	0	47	0.0	-53.61	375.62	10.40	-43.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2C2CCCC2)C1	REAL300005637833	0	50	0.0	-53.09	367.11	8.54	-44.55
CN1N=CC=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637834	0	46	0.0	-55.60	352.19	7.27	-48.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C=CNC3=N2)C1	REAL300005637835	0	43	0.0	-55.55	331.28	8.02	-47.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3)C=N2)C1	REAL300005637836	0	46	0.0	-58.38	358.86	10.44	-47.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=NC=C2Cl)C1	REAL300005637837	0	38	0.0	-52.98	308.04	7.32	-45.66
CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C2C=C1	REAL300005637838	0	48	0.0	-57.82	369.73	9.09	-48.73
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)S1	REAL300005637839	0	42	0.0	-48.33	323.64	7.75	-40.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC=C(F)C=C3C2)C1	REAL300005637840	0	48	0.0	-53.86	367.42	8.73	-45.13
CC1=CC(Cl)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637841	0	43	0.0	-49.58	338.70	9.60	-39.98
CC1=NC(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005637842	0	48	0.0	-53.36	379.68	8.23	-45.13
CNS(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)O1	REAL300005637843	0	48	0.0	-57.64	386.90	3.01	-54.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3CCCO3)=N2)C1	REAL300005637844	0	47	0.0	-55.32	368.24	6.69	-48.63
CCOCCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC1	REAL300005637845	0	53	0.0	-51.78	385.17	7.96	-43.82
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CC=C1C1=CC=CC=N1	REAL300005637846	0	52	0.0	-55.21	389.21	10.95	-44.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CSCCS2)C1	REAL300005637847	0	45	0.0	-51.14	352.89	8.79	-42.35
CCC1=NNC(=O)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1CC	REAL300005637848	0	51	0.0	-60.20	386.75	6.32	-53.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CCC(F)(F)F)C=C2)C1	REAL300005637849	0	49	0.0	-52.32	389.08	10.56	-41.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C3NC=CC3=C2)C1	REAL300005637850	0	50	0.0	-55.01	383.30	9.76	-45.25
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NC2=CC=CC=C21	REAL300005637851	0	48	0.0	-59.04	363.93	8.74	-50.30
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637852	0	42	0.0	-57.50	334.33	6.91	-50.59
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1F	REAL300005637853	0	48	0.0	-54.34	375.03	8.81	-45.53
COC1=C(F)C=CC(F)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637854	0	44	0.0	-56.05	355.24	7.65	-48.40
CC1=CC(Cl)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005637855	0	46	0.0	-52.01	360.77	9.64	-42.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3C=CSC3=C2)C1	REAL300005637856	0	42	0.0	-51.84	330.75	7.74	-44.10
COC1=CC=C(C2=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(C)O2)C=C1	REAL300005637857	0	53	0.0	-51.79	404.41	8.23	-43.56
CC1=C(C)N2C(=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=O)S1	REAL300005637858	0	48	0.0	-61.07	380.84	8.36	-52.71
CC(C)OC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637859	0	49	0.0	-51.56	368.46	6.93	-44.63
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637860	0	47	0.0	-51.78	356.97	8.72	-43.06
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC(C2CC2)=N1	REAL300005637861	0	46	0.0	-49.84	347.29	6.56	-43.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2CCCC2)C1	REAL300005637862	0	52	0.0	-49.74	353.97	8.75	-40.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCCCCC2)C1	REAL300005637863	0	52	0.0	-49.89	339.07	8.98	-40.91
CC1=NC(CC(C)C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005637864	0	51	0.0	-53.17	391.20	8.55	-44.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCCCC2)C1	REAL300005637865	0	52	0.0	-68.06	343.62	9.06	-59.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(Br)=C2Cl)C1	REAL300005637866	0	40	0.0	-52.75	341.59	9.00	-43.75
CNC(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637867	0	47	0.0	-57.72	361.22	6.15	-51.57
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC(C2=CC=CC=C2)=N1	REAL300005637868	0	49	0.0	-50.94	375.17	7.95	-42.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(NC(=O)C(C)(C)C)=CC=C2F)C1	REAL300005637869	0	56	0.0	-57.25	426.82	8.90	-48.35
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Br)C=C1	REAL300005637870	0	46	0.0	-74.54	365.96	9.93	-64.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CC3)=NC3=CC=C(F)C=C32)C1	REAL300005637871	0	52	0.0	-50.50	396.18	10.89	-39.61
C=CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637872	0	50	0.0	-51.34	379.85	10.76	-40.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3CCCCC3C2)C1	REAL300005637873	0	56	0.0	-44.54	377.63	10.91	-33.63
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2O1	REAL300005637874	0	49	0.0	-57.04	380.50	10.04	-47.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC(C(C)(C)C)CC2)C1	REAL300005637875	0	61	0.0	-49.59	419.17	11.20	-38.39
CC(CCCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637876	0	55	0.0	-51.64	411.11	11.68	-39.96
CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(F)C=C1	REAL300005637877	0	49	0.0	-75.56	371.28	10.07	-65.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CN=CC(F)=C2)C1	REAL300005637878	0	45	0.0	-53.35	353.20	8.02	-45.33
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637879	0	49	0.0	-52.32	383.65	10.55	-41.77
CN1C(=O)NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C21	REAL300005637880	0	47	0.0	-56.63	363.31	6.74	-49.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC(C)(C)CC2)C1	REAL300005637881	0	55	0.0	-49.66	384.35	10.10	-39.56
CC(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(=O)N1	REAL300005637882	0	52	0.0	-53.29	391.97	8.07	-45.22
CC(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005637883	0	45	0.0	-52.13	354.17	7.08	-45.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(=O)NC3CC3)C=C2)C1	REAL300005637884	0	51	0.0	-59.07	393.96	7.92	-51.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(NS(C)(=O)=O)C(C)(C)C)C1	REAL300005637885	0	53	0.0	-56.23	387.95	3.66	-52.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=N3)=CC=C2Cl)C1	REAL300005637886	0	49	0.0	-57.55	393.83	10.32	-47.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(OC3CCC3)=C2)C1	REAL300005637887	0	50	0.0	-53.13	379.94	7.10	-46.03
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1N1C=NN=N1	REAL300005637888	0	49	0.0	-60.28	381.11	7.62	-52.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(=O)NCC(F)(F)F)C1	REAL300005637889	0	43	0.0	-50.13	341.75	6.74	-43.39
CC(C)OC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005637890	0	49	0.0	-46.26	356.11	7.85	-38.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=C(C=CC4=C3C=CC=C4)O2)C1	REAL300005637891	0	52	0.0	-57.43	397.37	11.92	-45.51
CC1=CC(N2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2=O)=CC=C1F	REAL300005637892	0	54	0.0	-58.84	409.08	9.76	-49.08
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637893	0	50	0.0	-55.83	383.43	9.02	-46.81
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637894	0	52	0.0	-56.58	410.40	8.91	-47.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3=COC=C3)=C2)C1	REAL300005637895	0	47	0.0	-54.06	364.25	9.47	-44.59
CCN1N=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637896	0	47	0.0	-54.59	363.76	7.94	-46.65
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637897	0	57	0.0	-54.32	435.34	11.87	-42.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NC(C4CC4)=NO3)C=C2)C1	REAL300005637898	0	52	0.0	-55.57	409.71	8.79	-46.78
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(SC2=CC=CC=C2)=C1	REAL300005637899	0	54	0.0	-60.56	414.10	12.92	-47.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(OC3CCOC3)=C2)C1	REAL300005637900	0	51	0.0	-56.64	389.34	5.17	-51.47
CC1=CC=C(SC2CCCC2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637901	0	57	0.0	-52.68	428.11	12.24	-40.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3N=S=NC3=C2)C1	REAL300005637902	0	41	0.0	-56.29	329.71	6.21	-50.08
CCC1=NN(C)C(Cl)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637903	0	46	0.0	-50.28	363.60	7.92	-42.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)C1	REAL300005637904	0	54	0.0	-77.51	416.46	9.91	-67.60
COC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C(C3CC3)N=C2C=C1	REAL300005637905	0	56	0.0	-52.29	419.24	10.12	-42.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3F)C(=O)C=C2)C1	REAL300005637906	0	49	0.0	-59.80	392.38	9.06	-50.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(OC3CCCCC3)=C2)C1	REAL300005637907	0	56	0.0	-53.44	416.32	8.40	-45.04
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637908	0	51	0.0	-58.76	397.56	10.71	-48.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3CCCC3)N=C2)C1	REAL300005637909	0	53	0.0	-50.23	392.20	8.18	-42.05
CC(C)COC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005637910	0	52	0.0	-54.02	412.22	7.62	-46.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CN=C2C2=CC=CC=C2)C1	REAL300005637911	0	48	0.0	-56.95	371.48	9.26	-47.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C3=CC=C4OCCC4=C3)=C2)C1	REAL300005637912	0	54	0.0	-56.08	410.44	9.39	-46.69
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637913	0	54	0.0	-58.10	428.19	5.95	-52.15
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=CC(Cl)=C1	REAL300005637914	0	50	0.0	-50.44	393.63	11.09	-39.35
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC(C)=CC(C)=C1	REAL300005637915	0	56	0.0	-54.00	421.41	11.92	-42.08
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CS2)=N1	REAL300005637916	0	47	0.0	-56.74	378.58	8.36	-48.38
CN1C(=O)CCC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005637917	0	51	0.0	-55.75	379.94	8.74	-47.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(CC3=CC=CC=C3)S2)C1	REAL300005637918	0	49	0.0	-52.94	393.28	9.50	-43.44
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637919	0	55	0.0	-57.54	407.37	6.97	-50.57
CCS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637920	0	49	0.0	-57.99	386.93	6.28	-51.71
COC1=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CNC2=CC=C1	REAL300005637921	0	51	0.0	-55.96	390.74	8.34	-47.62
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=CC=C1Cl	REAL300005637922	0	50	0.0	-53.02	394.22	11.27	-41.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC=C(Br)C=C32)C1	REAL300005637923	0	45	0.0	-50.43	360.50	8.34	-42.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(F)C=C3F)CCC2)C1	REAL300005637924	0	50	0.0	-48.11	355.58	10.66	-37.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(F)C=C3F)CCCC2)C1	REAL300005637925	0	53	0.0	-53.43	382.09	11.07	-42.36
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637926	0	55	0.0	-58.38	434.10	8.15	-50.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=CC(Cl)=CC=C3C=C2)C1	REAL300005637927	0	45	0.0	-53.86	356.95	10.11	-43.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Br)N=CS2)C1	REAL300005637928	0	36	0.0	-47.05	304.62	6.10	-40.95
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637929	0	53	0.0	-81.58	402.46	10.75	-70.83
COCCOC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=N1	REAL300005637930	0	50	0.0	-59.38	388.19	4.83	-54.55
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637931	0	49	0.0	-58.67	393.57	10.38	-48.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(OCC3CC3)C(Cl)=C2)C1	REAL300005637932	0	50	0.0	-54.30	402.29	7.71	-46.59
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)S(=O)(=O)C1=CC=CN=C1	REAL300005637933	0	50	0.0	-58.62	399.08	4.81	-53.81
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NC2=CC=CC=C12	REAL300005637934	0	48	0.0	-57.00	364.26	9.64	-47.36
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1CC1=CC=CC=C1	REAL300005637936	0	56	0.0	-57.54	424.98	10.55	-46.99
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300005637937	0	54	0.0	-59.54	418.90	7.56	-51.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C1	REAL300005637938	0	48	0.0	-56.23	372.86	7.20	-49.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC3=CC=CN=C32)C1	REAL300005637939	0	45	0.0	-50.29	358.74	9.50	-40.79
C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637941	0	56	0.0	-57.55	408.58	7.57	-49.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC3=CC=CC=C32)C1	REAL300005637942	0	45	0.0	-57.20	346.18	8.35	-48.85
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(F)C=C1F	REAL300005637943	0	49	0.0	-51.77	376.81	10.26	-41.51
CC(C)CN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C1CC1	REAL300005637944	0	56	0.0	-57.14	411.91	9.86	-47.28
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1CC(C)C	REAL300005637945	0	55	0.0	-64.72	403.06	8.78	-55.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC(Cl)=C3F)N=N2)C1	REAL300005637946	0	46	0.0	-59.16	379.75	8.67	-50.49
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005637947	0	50	0.0	-56.40	393.12	10.70	-45.70
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)O2)=C1	REAL300005637948	0	56	0.0	-52.19	420.71	12.42	-39.77
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1S(C)(=O)=O	REAL300005637949	0	52	0.0	-57.63	393.94	6.81	-50.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C=N2)C1	REAL300005637950	0	39	0.0	-53.52	316.92	7.47	-46.05
CC1=CC(F)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637951	0	43	0.0	-48.90	326.04	9.10	-39.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2OCC(=O)N3)C1	REAL300005637952	0	46	0.0	-56.78	357.73	5.41	-51.37
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637953	0	55	0.0	-59.04	430.09	7.94	-51.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Br)C=CO2)C1	REAL300005637954	0	37	0.0	-53.28	305.97	6.88	-46.40
CC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=N1	REAL300005637955	0	44	0.0	-52.16	331.69	6.93	-45.23
CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Cl	REAL300005637956	0	43	0.0	-51.42	337.21	8.92	-42.50
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637957	0	47	0.0	-73.98	376.69	7.26	-66.72
CC(C)[C@H]1CC[C@H](C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005637958	0	55	0.0	-71.77	387.30	10.09	-61.68
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005637959	0	43	0.0	-56.23	322.61	6.54	-49.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300005637960	0	42	0.0	-52.91	329.94	8.02	-44.89
CC1=CC(C)=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637961	0	52	0.0	-52.01	394.72	11.06	-40.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCCN3N=C2)C1	REAL300005637962	0	47	0.0	-56.93	349.99	7.28	-49.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCSCC2)C1	REAL300005637963	0	44	0.0	-50.76	331.38	8.03	-42.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C([N+](=O)[O-])C=C2Cl)C1	REAL300005637964	0	45	0.0	-49.13	367.50	10.55	-38.58
CCOC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005637965	0	46	0.0	-53.48	369.51	6.01	-47.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC3=CN=CC=N3)=C2)C1	REAL300005637966	0	49	0.0	-58.27	385.56	6.36	-51.91
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=N1	REAL300005637967	0	46	0.0	-56.10	354.57	5.56	-50.54
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C2=CC=CC=C2F)O1	REAL300005637968	0	49	0.0	-56.72	379.47	9.27	-47.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(=O)N3CCCC3)=N2)C1	REAL300005637969	0	53	0.0	-52.23	385.66	8.74	-43.49
CN1C(=O)C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637970	0	43	0.0	-61.57	332.66	6.51	-55.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(N3C=CC=N3)=CC=N2)C1	REAL300005637971	0	46	0.0	-51.20	352.75	8.68	-42.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3C=CC=N3)=N2)C1	REAL300005637972	0	46	0.0	-54.19	357.16	9.14	-45.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC(=O)C2=CC=CS2)C1	REAL300005637973	0	45	0.0	-56.77	363.04	8.65	-48.12
CC1=CC=C(C)C(C(=O)CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637974	0	54	0.0	-56.30	409.48	10.90	-45.40
CCC1=CC=C(C(=O)CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637975	0	54	0.0	-57.32	415.04	11.00	-46.32
CC1=CC(C(=O)CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)S1	REAL300005637976	0	51	0.0	-55.94	403.57	10.16	-45.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC(=O)C2=CC=C3CCCC3=C2)C1	REAL300005637977	0	55	0.0	-58.11	417.72	11.46	-46.65
COC1=CC=C(OC)C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005637978	0	51	0.0	-54.13	388.48	7.58	-46.55
CC1=NC(C2=CC=CC=C2)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005637979	0	49	0.0	-56.93	392.99	9.49	-47.44
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637980	0	46	0.0	-51.06	345.53	9.26	-41.80
COC1=CC=C(C(=O)CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637981	0	52	0.0	-58.67	401.45	8.87	-49.80
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1Cl	REAL300005637982	0	43	0.0	-51.81	339.98	8.95	-42.86
CC1=CC(Cl)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637983	0	43	0.0	-48.16	336.37	9.56	-38.60
COC1=CC=C(C(=O)CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005637984	0	52	0.0	-57.25	407.74	8.95	-48.30
COC1=C(C)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005637985	0	50	0.0	-53.22	376.51	8.69	-44.53
CC(C)OC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637986	0	54	0.0	-53.53	408.68	10.29	-43.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3[N+](=O)[O-])C=C2)C1	REAL300005637987	0	49	0.0	-66.22	390.18	10.76	-55.46
COC1=CC=C(C(=O)CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637988	0	55	0.0	-56.51	422.95	9.65	-46.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Br)=C3OCOC3=C2)C1	REAL300005637989	0	43	0.0	-54.62	353.06	7.19	-47.43
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC([N+](=O)[O-])=C1	REAL300005637990	0	45	0.0	-57.45	350.17	9.76	-47.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2CCC3)C1	REAL300005637991	0	47	0.0	-52.75	351.45	9.83	-42.92
CC(C)OCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637992	0	49	0.0	-51.27	367.83	7.49	-43.78
C[C@H](C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637993	0	46	0.0	-73.32	344.16	9.30	-64.02
CO[C@@H](C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005637994	0	47	0.0	-50.79	356.10	8.74	-42.05
CCN(CC)C(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005637995	0	56	0.0	-58.08	420.42	9.74	-48.34
CC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637996	0	43	0.0	-52.97	340.99	9.02	-43.95
CC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(C)C)=N1	REAL300005637997	0	50	0.0	-51.94	372.55	8.35	-43.59
CN1C=C([N+](=O)[O-])C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005637998	0	42	0.0	-57.06	331.95	7.88	-49.18
CC1=CC=CC(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005637999	0	49	0.0	-51.76	364.55	9.98	-41.78
CCCCCCC(CC)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638000	0	57	0.0	-49.93	412.72	10.82	-39.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CCC3)C=C2)C1	REAL300005638001	0	50	0.0	-46.90	365.55	11.01	-35.89
CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(OC)C=C1	REAL300005638002	0	53	0.0	-74.77	394.36	9.30	-65.47
CC1=CC=C(CC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638003	0	52	0.0	-51.96	389.01	10.75	-41.21
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005638004	0	46	0.0	-51.73	357.97	9.01	-42.72
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCOCC1	REAL300005638005	0	50	0.0	-51.40	358.59	7.12	-44.28
COCCOC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638006	0	51	0.0	-55.55	407.03	8.25	-47.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2CCCOC2)C1	REAL300005638007	0	50	0.0	-51.83	363.79	7.52	-44.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC23CCC2=CC=CC=C23)C1	REAL300005638008	0	51	0.0	-52.38	381.62	11.36	-41.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC23CCS(=O)(=O)CC3)C1	REAL300005638009	0	50	0.0	-59.66	380.18	5.73	-53.93
CCSC1=CC(Cl)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638010	0	47	0.0	-47.84	377.88	10.78	-37.06
CCC1=CC=C(C(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638011	0	55	0.0	-52.29	391.26	10.88	-41.41
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC(C)C)=C1	REAL300005638012	0	54	0.0	-47.46	397.51	9.49	-37.97
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OCC2CC2)=C1	REAL300005638013	0	55	0.0	-54.25	418.83	9.34	-44.91
CCC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(OC)C=C1	REAL300005638014	0	56	0.0	-52.67	414.55	10.12	-42.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(S(C)(=O)=O)=C2)C1	REAL300005638015	0	43	0.0	-56.20	357.98	4.40	-51.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=N2)C1	REAL300005638016	0	45	0.0	-54.23	346.11	7.96	-46.27
CC1=NN(C)C2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C12	REAL300005638017	0	48	0.0	-58.46	370.93	7.52	-50.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=NC=N3)N=C2)C1	REAL300005638018	0	45	0.0	-52.54	349.45	10.14	-42.40
CC1=NC(COC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)=NO1	REAL300005638019	0	52	0.0	-61.59	408.13	6.67	-54.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=N2)C1	REAL300005638020	0	42	0.0	-54.05	339.30	7.98	-46.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2N2C=CC=N2)C1	REAL300005638021	0	46	0.0	-50.96	352.68	9.21	-41.75
CC1=NN(C)C(=O)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005638022	0	48	0.0	-61.90	368.11	6.27	-55.63
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)NC(C(C)(C)C)=N1	REAL300005638023	0	54	0.0	-49.97	403.20	7.80	-42.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(OC3=CC=CC=N3)C=C2)C1	REAL300005638024	0	54	0.0	-56.79	425.89	9.20	-47.59
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638025	0	45	0.0	-55.80	352.64	10.09	-45.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300005638026	0	45	0.0	-56.05	344.15	8.93	-47.12
CCC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638027	0	46	0.0	-47.69	336.88	9.80	-37.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(F)C(F)=C2)C1	REAL300005638028	0	43	0.0	-53.40	343.25	9.05	-44.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=C(F)C=CC=C2F)C1	REAL300005638029	0	43	0.0	-53.59	341.15	8.98	-44.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300005638030	0	46	0.0	-50.73	372.44	10.53	-40.20
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638031	0	49	0.0	-60.51	382.79	9.74	-50.77
CC1=CC(C)=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005638032	0	52	0.0	-51.95	386.03	10.61	-41.34
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1F	REAL300005638033	0	44	0.0	-54.55	341.43	7.27	-47.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300005638034	0	44	0.0	-45.73	345.34	8.82	-36.91
CN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C1=CC=CC=C1	REAL300005638035	0	50	0.0	-52.43	379.49	9.43	-43.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C(F)=C2)C1	REAL300005638036	0	40	0.0	-52.02	328.30	8.47	-43.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC3=CC=C(Cl)C=C23)C1	REAL300005638037	0	46	0.0	-51.48	383.82	10.81	-40.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC=C2Cl)C1	REAL300005638038	0	39	0.0	-47.29	311.33	7.19	-40.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2C(F)(F)F)C1	REAL300005638039	0	42	0.0	-51.33	330.57	7.71	-43.62
CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Br	REAL300005638040	0	43	0.0	-51.31	340.65	9.02	-42.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(F)=C2F)C1	REAL300005638041	0	43	0.0	-51.93	336.75	9.54	-42.39
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Br)=C1	REAL300005638042	0	43	0.0	-45.30	337.61	9.65	-35.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(F)C=C2F)C1	REAL300005638043	0	43	0.0	-46.45	336.90	9.53	-36.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300005638044	0	44	0.0	-53.87	351.77	7.70	-46.17
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638045	0	44	0.0	-57.19	349.19	7.39	-49.80
CC(=O)C1=CNC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638046	0	43	0.0	-56.72	335.12	6.77	-49.95
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638047	0	49	0.0	-55.00	388.90	9.39	-45.61
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638048	0	52	0.0	-51.03	391.49	10.86	-40.17
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C2C=NN(C(C)C)C2=N1	REAL300005638049	0	54	0.0	-57.73	411.40	9.25	-48.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300005638050	0	50	0.0	-55.04	373.94	11.27	-43.77
COC1=CC2=NC(C)=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005638051	0	52	0.0	-58.61	396.53	8.21	-50.40
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C12	REAL300005638052	0	53	0.0	-57.24	400.76	6.68	-50.56
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C2C=NN(C(C)C)C2=N1	REAL300005638053	0	54	0.0	-57.65	416.38	9.28	-48.37
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C12	REAL300005638054	0	51	0.0	-59.46	397.01	7.15	-52.31
COC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=C2C=C1	REAL300005638055	0	49	0.0	-51.13	369.95	8.91	-42.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300005638056	0	46	0.0	-56.27	377.60	10.00	-46.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300005638057	0	48	0.0	-55.69	370.70	9.46	-46.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=CC4=C3C=CC=C4)N2)C1	REAL300005638058	0	50	0.0	-48.76	376.98	11.15	-37.61
COC1=CC=C(SC)C(OC)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638059	0	52	0.0	-58.63	411.24	7.92	-50.71
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638060	0	52	0.0	-60.21	412.71	7.33	-52.88
CC1=CC(C)=C(Br)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638061	0	46	0.0	-45.51	355.79	10.19	-35.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NC(=O)C3=CC=CN=C3)=C2)C1	REAL300005638062	0	53	0.0	-58.80	411.68	8.12	-50.68
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638063	0	52	0.0	-58.23	400.54	9.85	-48.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC3=CC=CC=C3)N=C2)C1	REAL300005638064	0	53	0.0	-51.53	408.15	9.01	-42.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2OCC(F)(F)F)C1	REAL300005638065	0	46	0.0	-53.93	374.98	6.31	-47.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=CC=C3)N=C2)C1	REAL300005638066	0	50	0.0	-52.26	385.71	8.58	-43.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2Br)C1	REAL300005638067	0	44	0.0	-53.19	359.87	9.48	-43.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=CC=C3)C3=C2N=CC=C3)C1	REAL300005638068	0	51	0.0	-51.27	385.79	11.15	-40.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C3=CC=CN=C23)C1	REAL300005638069	0	45	0.0	-55.51	362.06	8.91	-46.60
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638070	0	54	0.0	-55.21	413.20	10.31	-44.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(=O)COC2=CC=CC=C2)C1	REAL300005638071	0	51	0.0	-62.16	398.42	7.26	-54.90
CC(NC(=O)C1=CC=CO1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638072	0	47	0.0	-58.54	368.41	5.38	-53.16
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CC=CC=C1C	REAL300005638073	0	57	0.0	-53.97	431.32	12.83	-41.14
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC2=C1C=CC1=C2C=CC=C1	REAL300005638074	0	52	0.0	-59.82	398.25	11.59	-48.23
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C(C)N=C2C=C1	REAL300005638075	0	51	0.0	-52.43	381.97	10.03	-42.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300005638076	0	51	0.0	-58.05	406.68	5.27	-52.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCC(=O)N2C2=CC=CC=C2S3)C1	REAL300005638077	0	50	0.0	-58.91	389.90	9.07	-49.84
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC1CCCC1	REAL300005638078	0	58	0.0	-54.42	427.28	9.96	-44.46
CCCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC=C1	REAL300005638079	0	56	0.0	-53.62	418.83	11.42	-42.20
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=C1C(=O)CC(C)(C)C2	REAL300005638080	0	56	0.0	-57.33	411.00	9.35	-47.98
CC(C)N1N=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C(C3CC3)N=C21	REAL300005638081	0	58	0.0	-56.33	442.67	10.65	-45.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2OC3=CC=CC=C3NC2=O)C1	REAL300005638082	0	49	0.0	-55.45	378.36	6.97	-48.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CC3)=NC3=CC=CC=C32)C1	REAL300005638083	0	52	0.0	-54.26	389.78	10.82	-43.44
CC(C)C1=NC2=CC=CC=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638084	0	54	0.0	-51.94	399.06	10.59	-41.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCS2(=O)=O)C1	REAL300005638085	0	46	0.0	-58.81	348.35	4.61	-54.20
CC(=O)C1=C(C)NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C(C)C	REAL300005638086	0	55	0.0	-60.83	411.37	9.05	-51.78
CC1=NOC(C)=C1C(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638087	0	51	0.0	-55.05	376.88	8.77	-46.28
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C2=CC=CC=C2)O1	REAL300005638088	0	49	0.0	-53.38	376.50	7.58	-45.80
COC1=C(Br)SC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638089	0	41	0.0	-49.41	340.72	7.40	-42.01
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638090	0	56	0.0	-56.47	429.46	10.57	-45.90
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638091	0	50	0.0	-61.40	402.69	10.57	-50.83
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1CCOCC1	REAL300005638092	0	54	0.0	-54.61	396.31	7.68	-46.93
CCC(CC)N1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005638093	0	55	0.0	-50.47	403.03	10.30	-40.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2=CC=CC=C2Cl)C1	REAL300005638094	0	47	0.0	-52.38	364.17	10.58	-41.80
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638095	0	50	0.0	-58.07	389.35	10.41	-47.66
CCOC1=C(Cl)C=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638096	0	50	0.0	-46.11	392.76	10.34	-35.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC(C3=CC=CC=C3)C2)C1	REAL300005638097	0	53	0.0	-51.64	386.58	11.62	-40.02
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638098	0	52	0.0	-56.06	404.52	6.73	-49.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3CCOC3)=C2)C1	REAL300005638099	0	51	0.0	-52.63	379.52	8.47	-44.16
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005638100	0	52	0.0	-61.74	397.41	7.10	-54.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCN3N=C2)C1	REAL300005638101	0	44	0.0	-58.83	333.17	6.47	-52.36
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC2=CC(F)=CC=C12	REAL300005638102	0	46	0.0	-52.26	360.35	10.53	-41.73
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638103	0	54	0.0	-56.22	419.71	5.45	-50.77
COC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCCC1	REAL300005638104	0	50	0.0	-45.51	333.60	7.22	-38.29
COC1=CC2=CC=C([C@H](C)C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005638105	0	56	0.0	-51.48	420.63	10.82	-40.66
C[C@@H](C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005638106	0	46	0.0	-72.64	342.74	9.23	-63.41
CC[C@H]1CC[C@H](C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005638107	0	52	0.0	-49.37	369.98	9.60	-39.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300005638108	0	43	0.0	-53.16	337.01	8.73	-44.43
COC1=CC=C(F)C=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638109	0	47	0.0	-52.88	365.40	8.36	-44.52
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=CC=C(C)C=C21	REAL300005638110	0	50	0.0	-51.60	378.14	9.70	-41.90
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(C(C)C)O1	REAL300005638111	0	49	0.0	-52.74	372.11	9.04	-43.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300005638112	0	39	0.0	-53.64	324.99	7.35	-46.29
CC(CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005638113	0	52	0.0	-51.26	387.71	10.86	-40.40
CC1=CC=C2C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CSC2=C1	REAL300005638114	0	46	0.0	-53.94	363.79	9.98	-43.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C(F)(F)F)N=C2)C1	REAL300005638115	0	41	0.0	-56.57	336.76	6.25	-50.32
CCC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638116	0	49	0.0	-50.98	366.33	10.08	-40.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)SC=N2)C1	REAL300005638117	0	39	0.0	-55.14	332.72	5.96	-49.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)C2CC2)C1	REAL300005638118	0	50	0.0	-50.06	375.19	10.80	-39.26
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=C(F)C=CC=C1F	REAL300005638119	0	46	0.0	-54.00	350.56	9.25	-44.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CNC3=CC=C(Cl)C=C23)C1	REAL300005638120	0	47	0.0	-47.95	373.75	10.02	-37.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CC3)=NO2)C1	REAL300005638121	0	43	0.0	-52.82	327.67	8.11	-44.71
CC(CC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638122	0	49	0.0	-69.42	371.55	10.16	-59.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(Cl)S2)C1	REAL300005638123	0	40	0.0	-50.58	337.95	8.66	-41.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC=C3F)CC2)C1	REAL300005638124	0	50	0.0	-53.40	382.53	10.58	-42.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2CCOCC2)C1	REAL300005638125	0	53	0.0	-46.85	379.69	8.78	-38.07
COC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1F	REAL300005638126	0	50	0.0	-56.07	386.71	9.07	-47.00
CCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCCC1	REAL300005638127	0	52	0.0	-49.51	352.02	8.81	-40.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC(C)(C)C2)C1	REAL300005638128	0	52	0.0	-72.44	365.81	9.26	-63.18
CC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(C)=C1	REAL300005638129	0	50	0.0	-52.27	382.14	10.75	-41.52
CCOC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCC1	REAL300005638130	0	50	0.0	-49.12	342.52	7.97	-41.15
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CO1	REAL300005638131	0	46	0.0	-52.45	347.79	8.17	-44.28
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005638132	0	49	0.0	-51.35	379.52	10.24	-41.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCCC2(C)C)C1	REAL300005638133	0	55	0.0	-48.85	376.61	9.83	-39.02
COCC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638134	0	50	0.0	-53.35	385.60	8.65	-44.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C=CCCC3=C2)C1	REAL300005638135	0	48	0.0	-52.70	360.48	10.25	-42.45
CSC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1F	REAL300005638136	0	44	0.0	-54.21	351.67	8.95	-45.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C)(C)C(F)(F)F)C1	REAL300005638137	0	45	0.0	-51.68	338.66	8.08	-43.60
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638138	0	53	0.0	-53.79	398.84	11.50	-42.29
COC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC)=C1	REAL300005638139	0	57	0.0	-54.34	431.22	9.17	-45.17
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=C(F)C=C1	REAL300005638140	0	48	0.0	-55.99	372.10	7.72	-48.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)C1	REAL300005638141	0	59	0.0	-52.44	437.85	12.74	-39.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(S(C)(=O)=O)CCC2)C1	REAL300005638142	0	46	0.0	-61.74	344.81	4.41	-57.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300005638143	0	51	0.0	-56.45	398.44	8.55	-47.90
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NC(C(F)(F)F)=N1	REAL300005638144	0	44	0.0	-59.07	357.63	7.75	-51.32
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Br	REAL300005638145	0	46	0.0	-51.83	370.03	10.11	-41.72
COC1=CC=C(F)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1OC	REAL300005638146	0	48	0.0	-57.48	378.22	7.48	-50.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=CC(C(F)(F)F)=C2)C1	REAL300005638147	0	52	0.0	-52.30	412.16	11.51	-40.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC(F)=CC=C2F)C1	REAL300005638148	0	49	0.0	-51.92	385.29	10.61	-41.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2COC2CCOCC2)C1	REAL300005638149	0	58	0.0	-50.49	424.82	9.56	-40.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CC2)C1	REAL300005638150	0	50	0.0	-53.77	394.16	10.81	-42.96
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OCCC(C)C)=C1	REAL300005638151	0	60	0.0	-46.85	438.52	10.91	-35.94
CCCOC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638152	0	53	0.0	-53.04	403.39	9.95	-43.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300005638153	0	50	0.0	-54.52	401.47	9.61	-44.91
CC(C)CC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638154	0	58	0.0	-51.48	433.03	12.42	-39.06
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OCC(C)C)=C1	REAL300005638155	0	57	0.0	-46.94	419.56	10.29	-36.65
CCCN1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=CC=CC=C21	REAL300005638156	0	53	0.0	-49.42	392.10	11.59	-37.83
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638157	0	52	0.0	-64.99	406.99	5.24	-59.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C=C2OC(F)F)C1	REAL300005638158	0	50	0.0	-58.12	392.14	10.13	-47.99
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC([N+](=O)[O-])=C1C	REAL300005638159	0	49	0.0	-56.47	371.48	8.99	-47.48
CCCOC1=CC(OC)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638160	0	54	0.0	-47.10	399.46	9.61	-37.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(COC3=CC=CC=C3F)=C2)C1	REAL300005638161	0	50	0.0	-62.22	399.27	9.29	-52.93
COC1=CC=C(CC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005638162	0	57	0.0	-56.17	425.65	9.23	-46.94
CCCCS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638163	0	55	0.0	-57.05	431.67	7.97	-49.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C(Cl)C=C2F)C1	REAL300005638164	0	49	0.0	-51.06	367.12	9.94	-41.12
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638165	0	44	0.0	-53.59	366.71	8.39	-45.20
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638166	0	54	0.0	-48.35	409.28	12.20	-36.15
CCC(C)(C)C1CCC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005638167	0	64	0.0	-49.58	433.38	11.69	-37.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC=C3Cl)CC2)C1	REAL300005638168	0	50	0.0	-52.48	387.90	10.83	-41.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2S(C)(=O)=O)C1	REAL300005638169	0	49	0.0	-54.73	378.77	6.82	-47.91
COC1=CC=C(OC)C(C2CC2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638170	0	55	0.0	-53.63	407.78	8.79	-44.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC(F)=C3)CCC2)C1	REAL300005638171	0	53	0.0	-49.10	391.14	10.86	-38.24
CCC1=CC=C2OC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005638172	0	49	0.0	-54.72	377.38	9.85	-44.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CCC(F)(F)F)C1	REAL300005638173	0	49	0.0	-46.96	378.86	10.95	-36.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(F)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005638174	0	46	0.0	-74.20	371.89	9.91	-64.29
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1[N+](=O)[O-]	REAL300005638175	0	51	0.0	-52.91	387.61	10.29	-42.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)COCC2=CC=CC=C2)C1	REAL300005638176	0	56	0.0	-68.33	412.62	9.71	-58.62
CC1=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C2=CC=CC=C2)O1	REAL300005638177	0	53	0.0	-60.12	409.03	11.27	-48.85
CC1=CC2=C(C=C1C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CO2	REAL300005638178	0	51	0.0	-52.87	377.33	8.89	-43.98
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC=C1	REAL300005638179	0	46	0.0	-52.85	345.36	8.15	-44.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)C1	REAL300005638180	0	49	0.0	-55.89	395.31	9.97	-45.92
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638181	0	45	0.0	-57.19	353.95	9.55	-47.64
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005638182	0	45	0.0	-56.28	345.46	8.02	-48.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(F)C(Cl)=C2)C1	REAL300005638183	0	40	0.0	-52.03	328.30	8.45	-43.58
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1[N+](=O)[O-]	REAL300005638184	0	46	0.0	-59.08	365.52	8.13	-50.95
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1Br	REAL300005638185	0	43	0.0	-51.80	344.00	9.04	-42.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(F)C=C2Cl)C1	REAL300005638186	0	43	0.0	-46.01	345.70	9.95	-36.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300005638187	0	47	0.0	-51.88	376.53	8.72	-43.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(F)=CC=C2Br)C1	REAL300005638188	0	43	0.0	-50.90	355.30	9.52	-41.38
CC1=C(Cl)C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638189	0	43	0.0	-52.41	339.95	8.98	-43.43
COC1=CC=C2OCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2=C1	REAL300005638190	0	52	0.0	-55.33	390.54	7.95	-47.38
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(C)=C1F	REAL300005638191	0	46	0.0	-52.04	352.28	9.21	-42.83
CCC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005638192	0	47	0.0	-54.81	365.34	9.21	-45.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300005638193	0	43	0.0	-47.65	356.01	9.93	-37.72
CCC(CC1=CC=CC=C1C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638194	0	55	0.0	-50.86	398.91	11.20	-39.66
CC(=O)NC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638195	0	50	0.0	-58.28	386.62	7.82	-50.46
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(Br)O1	REAL300005638196	0	40	0.0	-52.81	329.66	7.54	-45.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC(F)C2)C1	REAL300005638197	0	46	0.0	-72.17	329.30	8.83	-63.34
C=CCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005638198	0	46	0.0	-61.04	359.88	7.00	-54.04
C=CCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCOCC1	REAL300005638199	0	51	0.0	-50.60	359.28	7.07	-43.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1	REAL300005638200	0	53	0.0	-51.17	379.20	9.81	-41.36
CC1=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C	REAL300005638201	0	43	0.0	-54.85	341.95	7.22	-47.63
CC1=C(F)C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638202	0	43	0.0	-52.91	331.18	8.57	-44.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(C)(=O)=O)S2)C1	REAL300005638203	0	43	0.0	-56.92	357.26	4.46	-52.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(C)(C)C)C=N2)C1	REAL300005638204	0	51	0.0	-54.13	376.67	9.27	-44.86
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638205	0	48	0.0	-59.44	369.35	9.71	-49.73
CN1N=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005638206	0	49	0.0	-56.07	372.80	8.98	-47.09
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1N1C=CC=N1	REAL300005638207	0	50	0.0	-54.86	378.38	9.99	-44.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC3=CC=NC=C3)C=C2)C1	REAL300005638208	0	53	0.0	-74.34	410.80	9.40	-64.94
CC1=C(Br)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005638209	0	40	0.0	-45.33	330.12	8.72	-36.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(OC3=CC=CC=C3)CC2)C1	REAL300005638210	0	48	0.0	-48.07	360.14	9.15	-38.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=C(F)C=CC=C3F)CCC2)C1	REAL300005638211	0	50	0.0	-52.60	366.79	10.73	-41.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=CN=CC=C3C=C2)C1	REAL300005638212	0	44	0.0	-53.85	335.13	7.84	-46.01
CC1=C2OC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=CC=C1	REAL300005638213	0	46	0.0	-55.24	355.91	9.09	-46.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(N3C=NN=C3)C=C2)C1	REAL300005638214	0	49	0.0	-58.39	381.46	11.90	-46.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC(OC(F)F)=C2)C1	REAL300005638215	0	50	0.0	-55.10	391.19	9.31	-45.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(C3=C(F)C=CC=C3F)=N2)C1	REAL300005638216	0	46	0.0	-58.12	366.18	7.84	-50.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3CCCC3=N2)C1	REAL300005638217	0	44	0.0	-53.89	326.22	8.89	-45.00
CC1=CSC(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005638218	0	48	0.0	-53.33	380.01	8.22	-45.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=CC=C(F)C=C23)C1	REAL300005638219	0	43	0.0	-53.50	340.91	8.49	-45.01
CC1CCN2N=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C1	REAL300005638220	0	50	0.0	-56.42	369.72	7.90	-48.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC(Cl)=C3S2)C1	REAL300005638221	0	43	0.0	-51.79	352.58	10.27	-41.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=NN=C2C2=CSC=C2)C1	REAL300005638222	0	45	0.0	-57.34	364.55	6.78	-50.56
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1=CC=C(F)C(F)=C1	REAL300005638223	0	49	0.0	-59.74	389.54	8.80	-50.94
CN1N=C(C2CC2)N=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638224	0	49	0.0	-57.53	379.10	8.37	-49.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300005638225	0	45	0.0	-55.36	346.49	8.38	-46.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1	REAL300005638226	0	51	0.0	-47.05	371.82	9.36	-37.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCC3=CC=CC=C32)C1	REAL300005638227	0	50	0.0	-51.29	361.22	9.86	-41.43
CC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2)C=C1	REAL300005638228	0	53	0.0	-50.11	386.87	10.76	-39.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3F)CCC2)C1	REAL300005638229	0	50	0.0	-42.80	363.26	10.56	-32.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC3=CC=C(F)C=C32)C1	REAL300005638230	0	47	0.0	-53.65	370.29	10.44	-43.21
CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C(Cl)C=C2C=C1	REAL300005638231	0	48	0.0	-50.21	378.94	10.11	-40.10
CSC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638232	0	53	0.0	-52.53	413.65	11.54	-40.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCC2C2CC2)C1	REAL300005638233	0	53	0.0	-50.06	369.45	10.09	-39.97
C=CCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005638234	0	43	0.0	-61.55	338.37	6.23	-55.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC(Br)=CC=C32)C1	REAL300005638235	0	47	0.0	-50.80	373.41	10.53	-40.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3OCCCC3=C2)C1	REAL300005638236	0	51	0.0	-53.34	384.24	9.55	-43.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COCCN2CC(F)(F)F)C1	REAL300005638237	0	49	0.0	-49.78	364.72	4.84	-44.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C(C)(C)C)C=N2)C1	REAL300005638238	0	48	0.0	-57.50	362.81	9.03	-48.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=C3C=CC=CN3N=C2)C1	REAL300005638239	0	46	0.0	-56.69	358.43	8.74	-47.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3CCOCC3=C2)C1	REAL300005638240	0	45	0.0	-51.27	335.15	6.02	-45.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=NC=NC=C3C2)C1	REAL300005638241	0	48	0.0	-54.68	360.05	8.48	-46.20
CCCC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638242	0	58	0.0	-51.32	437.82	12.74	-38.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3)N=C2)C1	REAL300005638243	0	49	0.0	-53.42	370.97	10.17	-43.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(CC(F)(F)F)=C2)C1	REAL300005638244	0	49	0.0	-52.58	391.51	10.69	-41.89
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1N1CCOCC1	REAL300005638245	0	56	0.0	-53.28	413.28	8.09	-45.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CCC3)N=N2)C1	REAL300005638246	0	46	0.0	-61.04	349.48	6.81	-54.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(C)CC2(F)Cl)C1	REAL300005638247	0	43	0.0	-51.84	341.02	8.48	-43.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1	REAL300005638248	0	52	0.0	-45.34	374.03	10.34	-35.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300005638249	0	45	0.0	-57.29	360.69	2.92	-54.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(N)(=O)=O)O2)C1	REAL300005638250	0	42	0.0	-60.72	337.65	1.75	-58.97
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C	REAL300005638251	0	44	0.0	-51.04	326.13	5.14	-45.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(C)CCCCC2)C1	REAL300005638252	0	52	0.0	-49.00	357.82	9.44	-39.56
CC1=CC=CC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N2C)=C1	REAL300005638253	0	54	0.0	-54.33	401.53	11.17	-43.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC=CC=C3C2)C1	REAL300005638254	0	50	0.0	-65.26	364.73	10.49	-54.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCCC2=CC=CC(F)=C2)C1	REAL300005638255	0	50	0.0	-53.77	392.92	10.18	-43.59
CC(COCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005638256	0	53	0.0	-52.51	403.32	10.64	-41.87
COCCN1C=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005638257	0	47	0.0	-55.46	363.12	6.19	-49.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=C(O)C=CC=C32)C1	REAL300005638258	0	51	0.0	-51.96	375.41	7.57	-44.39
CCC1CCCCC1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638259	0	56	0.0	-50.66	403.30	10.36	-40.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(CC3=CC=CC=C3F)S2)C1	REAL300005638260	0	49	0.0	-54.96	398.40	9.55	-45.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2CCCCCC2)C1	REAL300005638261	0	53	0.0	-50.72	378.29	10.23	-40.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCS(=O)(=O)N2)C1	REAL300005638262	0	42	0.0	-55.28	320.64	1.89	-53.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1	REAL300005638263	0	48	0.0	-50.23	332.72	9.00	-41.23
CC1=CC=CC=C1N1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C(C)C	REAL300005638264	0	59	0.0	-58.70	436.57	11.50	-47.20
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC=C1C	REAL300005638265	0	56	0.0	-65.21	421.88	11.12	-54.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=C(Cl)C=C3)C=C2)C1	REAL300005638266	0	47	0.0	-56.74	380.62	10.19	-46.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC(Cl)=C3)N=N2)C1	REAL300005638267	0	46	0.0	-59.74	376.95	8.71	-51.03
CC1=NN(C(C)(C)C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638268	0	52	0.0	-53.45	389.54	8.27	-45.18
COCCOC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638269	0	54	0.0	-54.70	415.53	8.42	-46.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(N3C=NN=N3)CCCCC2)C1	REAL300005638270	0	51	0.0	-63.67	365.27	8.31	-55.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3Cl)CCC2)C1	REAL300005638271	0	50	0.0	-42.42	369.51	10.91	-31.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2OCC3(C)C)C1	REAL300005638272	0	51	0.0	-47.39	377.72	9.44	-37.95
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005638273	0	48	0.0	-55.06	366.02	7.41	-47.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300005638274	0	49	0.0	-54.71	368.01	8.38	-46.33
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1C=CN=C1	REAL300005638275	0	46	0.0	-55.73	348.10	8.87	-46.86
CC1=NN=NN1C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638276	0	48	0.0	-55.34	373.26	7.94	-47.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C3CCCCC3=C2)C1	REAL300005638277	0	59	0.0	-51.66	436.13	13.01	-38.65
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1	REAL300005638278	0	48	0.0	-53.37	360.09	8.86	-44.51
CSC1=CC=CN=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638279	0	43	0.0	-55.18	335.00	7.96	-47.22
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638280	0	56	0.0	-55.35	425.94	10.14	-45.21
CCN1C=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005638281	0	46	0.0	-56.37	346.41	7.74	-48.63
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1Br	REAL300005638282	0	47	0.0	-50.75	362.68	8.61	-42.14
CC1=CC=C(C2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)S2)C=C1C	REAL300005638283	0	52	0.0	-53.65	408.28	10.00	-43.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300005638284	0	49	0.0	-54.87	391.54	8.84	-46.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)F)N(C3=CC=CC=C3)N=N2)C1	REAL300005638285	0	49	0.0	-62.25	381.54	8.75	-53.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3(CC3(F)F)CC2)C1	REAL300005638286	0	50	0.0	-50.54	364.68	9.50	-41.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)F)C=C2F)C1	REAL300005638287	0	43	0.0	-48.43	338.05	9.36	-39.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2OCC3=CC(Cl)=CC=C32)C1	REAL300005638288	0	48	0.0	-51.61	380.99	9.55	-42.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC(F)(F)F)O2)C1	REAL300005638289	0	44	0.0	-50.70	361.18	7.95	-42.75
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638290	0	50	0.0	-48.59	388.23	11.69	-36.90
CC1=NN(C(C)C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638291	0	49	0.0	-70.78	371.12	7.64	-63.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=C(Cl)C=CC=C2Cl)C1	REAL300005638292	0	46	0.0	-51.87	380.03	10.57	-41.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)F)N=C2)C1	REAL300005638293	0	42	0.0	-53.58	327.30	7.43	-46.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3OCCOC3=CS2)C1	REAL300005638294	0	43	0.0	-54.47	339.54	5.62	-48.85
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638295	0	53	0.0	-48.50	404.35	12.27	-36.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=C(F)C=CC=C2F)C1	REAL300005638296	0	49	0.0	-48.11	378.39	11.06	-37.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC=C2C(F)(F)F)C1	REAL300005638297	0	42	0.0	-47.55	328.96	7.53	-40.02
CC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCOCC2)C=C1C	REAL300005638298	0	60	0.0	-51.62	422.05	9.92	-41.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CCC2)C1	REAL300005638299	0	53	0.0	-50.25	404.20	11.08	-39.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCC2N2C=CC=N2)C1	REAL300005638300	0	53	0.0	-52.11	382.86	9.86	-42.25
CC(C)C1CCC(C)CC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638301	0	58	0.0	-45.25	390.98	10.77	-34.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CN3CCCCC3=N2)C1	REAL300005638302	0	50	0.0	-56.54	373.53	9.24	-47.30
CC(=CC1=CC=NC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638303	0	46	0.0	-53.89	352.97	8.09	-45.80
CC(=CC1=CC=CC=N1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638304	0	46	0.0	-55.20	350.66	8.94	-46.26
CC(=CC1=CC=CN=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638305	0	46	0.0	-55.19	353.58	8.11	-47.08
CC(=CC1=CC=CO1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638306	0	44	0.0	-53.70	334.33	8.02	-45.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(C)(C)C)=C2)C1	REAL300005638307	0	52	0.0	-51.67	380.72	10.18	-41.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300005638308	0	47	0.0	-52.69	354.91	10.00	-42.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OCCOC3=N2)C1	REAL300005638309	0	45	0.0	-54.91	338.46	5.80	-49.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C(F)C=C2)C1	REAL300005638310	0	49	0.0	-51.99	379.84	10.58	-41.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C1	REAL300005638311	0	54	0.0	-57.40	405.25	5.65	-51.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2OCC3=CC=CC=C32)C1	REAL300005638312	0	48	0.0	-52.28	364.21	8.96	-43.32
COC1=CC=C2CCCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005638313	0	54	0.0	-53.22	386.54	10.07	-43.15
COC1=CN2N=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C=C1	REAL300005638314	0	47	0.0	-53.30	357.62	7.42	-45.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2CCCCCC2)C1	REAL300005638315	0	55	0.0	-49.83	383.88	10.31	-39.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2OC(C)(C)C3)C1	REAL300005638316	0	51	0.0	-47.84	378.36	9.71	-38.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCS2(=O)=O)C1	REAL300005638317	0	43	0.0	-71.90	331.91	3.88	-68.02
CN(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005638318	0	47	0.0	-53.31	372.25	7.07	-46.24
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638319	0	53	0.0	-55.20	401.49	9.77	-45.43
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC(=O)C2=CC=CC=C12	REAL300005638320	0	49	0.0	-61.90	377.38	7.51	-54.39
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Cl)C=C1	REAL300005638321	0	46	0.0	-74.60	361.40	9.83	-64.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2CCCC2)C1	REAL300005638322	0	50	0.0	-50.39	366.09	9.94	-40.45
COC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(F)(F)F	REAL300005638323	0	43	0.0	-47.39	332.85	7.29	-40.10
CSCC1(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005638324	0	47	0.0	-50.92	362.13	9.05	-41.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2C3CC4CC(C3)CC2C4)C1	REAL300005638325	0	57	0.0	-48.52	379.10	10.76	-37.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300005638326	0	46	0.0	-53.91	386.31	9.28	-44.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CN=CC=C3C=C2)C1	REAL300005638327	0	45	0.0	-54.88	346.45	8.36	-46.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=N3)N=C2)C1	REAL300005638328	0	48	0.0	-52.65	368.21	8.66	-43.99
CC(C)CN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638329	0	49	0.0	-48.37	357.79	8.58	-39.79
COC1=CC=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638330	0	43	0.0	-53.80	329.93	6.29	-47.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=C(F)C=C3)N=C2)C1	REAL300005638331	0	47	0.0	-51.92	364.11	9.60	-42.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(SC(F)(F)F)=C2)C1	REAL300005638332	0	44	0.0	-52.79	362.17	9.36	-43.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C(C)(C)C)N=N2)C1	REAL300005638333	0	47	0.0	-59.04	359.34	6.19	-52.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC23CCCCC2C3(F)F)C1	REAL300005638334	0	50	0.0	-52.40	367.21	9.68	-42.72
CC1=CC(Br)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005638335	0	46	0.0	-53.12	363.84	9.68	-43.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1	REAL300005638336	0	56	0.0	-45.67	394.05	11.46	-34.21
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638337	0	54	0.0	-47.95	402.87	10.89	-37.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300005638338	0	57	0.0	-53.84	441.80	12.20	-41.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=NN2C2=CC=CC=C2)C1	REAL300005638339	0	46	0.0	-54.21	348.60	8.12	-46.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)CC(F)(F)F)C1	REAL300005638340	0	45	0.0	-67.23	328.20	7.39	-59.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COCC2C2=CC=CC=C2)C1	REAL300005638341	0	51	0.0	-46.12	367.30	9.08	-37.04
CN1N=CC(C2CC2)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638342	0	47	0.0	-57.27	362.91	7.89	-49.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC2COC3(C)C)C1	REAL300005638343	0	48	0.0	-50.98	340.28	6.73	-44.25
CN1C=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005638344	0	43	0.0	-63.96	340.05	5.97	-57.99
COC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC(F)(F)CC1	REAL300005638345	0	50	0.0	-53.47	357.68	7.45	-46.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(C)(C)CC(C)(C)C2)C1	REAL300005638346	0	58	0.0	-44.83	396.48	10.72	-34.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=C(C3CC3)C=N2)C1	REAL300005638347	0	47	0.0	-49.93	356.58	8.97	-40.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2COCC3)C1	REAL300005638348	0	48	0.0	-53.74	357.87	7.99	-45.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(CC3(F)F)C2)C1	REAL300005638349	0	44	0.0	-52.24	342.11	8.71	-43.53
CC1=CC(F)=CC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638350	0	46	0.0	-54.36	355.51	9.22	-45.14
CN1N=CC(C2CCC2)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638351	0	50	0.0	-56.78	379.51	8.40	-48.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(N3C=NN=N3)CC2)C1	REAL300005638352	0	42	0.0	-63.34	328.99	6.67	-56.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CNC3=NC=N2)C1	REAL300005638353	0	42	0.0	-58.47	324.51	7.86	-50.61
CCCCCC1=NNC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638354	0	52	0.0	-53.96	392.38	8.41	-45.55
CCCCCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1	REAL300005638354	1	52	0.0	-49.42	387.56	9.12	-40.30
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1CCOCC1	REAL300005638355	0	58	0.0	-53.46	411.54	9.11	-44.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C(Cl)=CC=CN3N=C2)C1	REAL300005638356	0	43	0.0	-52.65	341.39	8.71	-43.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=NOC=C3)OC=N2)C1	REAL300005638357	0	42	0.0	-58.53	331.58	5.36	-53.17
CC(C)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638358	0	49	0.0	-47.73	357.82	10.33	-37.40
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638359	0	48	0.0	-55.59	376.59	7.87	-47.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(Br)C=C2F)C1	REAL300005638360	0	43	0.0	-46.03	351.81	10.10	-35.93
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CO1	REAL300005638361	0	44	0.0	-53.98	338.87	8.30	-45.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300005638362	0	43	0.0	-47.64	352.93	10.28	-37.36
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638363	0	51	0.0	-53.12	387.19	9.54	-43.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(=O)C3=CC=CO3)=C2)C1	REAL300005638364	0	49	0.0	-56.72	383.77	9.49	-47.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300005638365	0	59	0.0	-51.19	432.39	12.73	-38.46
COCC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638366	0	46	0.0	-53.15	355.63	5.83	-47.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CCCCC2)C1	REAL300005638367	0	49	0.0	-52.28	348.41	8.71	-43.57
CCCCC(C)(F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638368	0	48	0.0	-52.55	350.32	8.45	-44.10
COC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638369	0	47	0.0	-55.95	361.57	8.08	-47.87
CC1=NNC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C12	REAL300005638370	0	46	0.0	-54.73	353.87	7.17	-47.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(C3=CC=CN=C3)=N2)C1	REAL300005638371	0	45	0.0	-59.56	357.60	5.82	-53.74
COCCCN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CC1=O	REAL300005638372	0	52	0.0	-55.87	401.22	6.22	-49.65
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005638373	0	54	0.0	-54.58	408.50	9.35	-45.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CF)C=C2)C1	REAL300005638374	0	43	0.0	-54.41	334.54	8.78	-45.63
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C(F)(F)F	REAL300005638375	0	47	0.0	-54.56	372.63	8.29	-46.27
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCOC1	REAL300005638376	0	48	0.0	-52.74	348.86	5.77	-46.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NN(C(C)(C)C)N=N2)C1	REAL300005638377	0	50	0.0	-56.59	383.90	6.50	-50.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3COCCC3=C2)C1	REAL300005638378	0	48	0.0	-53.84	359.43	7.99	-45.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2CC2(F)F)C1	REAL300005638379	0	43	0.0	-52.12	336.64	8.45	-43.67
COCCCOCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638380	0	50	0.0	-53.79	381.23	5.85	-47.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)N2C=CC=N2)C1	REAL300005638381	0	46	0.0	-67.74	330.23	7.39	-60.35
COC1=CC=C(OC(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638382	0	54	0.0	-75.05	386.60	8.36	-66.69
CC(C)CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Cl)C=C1	REAL300005638383	0	55	0.0	-50.08	417.43	11.62	-38.46
COC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Cl	REAL300005638384	0	47	0.0	-47.48	368.08	9.21	-38.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(N3C=NN=N3)CCOCC2)C1	REAL300005638385	0	49	0.0	-63.02	357.43	6.02	-57.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3C=CC=NC3=N2)C1	REAL300005638386	0	41	0.0	-68.73	323.88	8.92	-59.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CSC3=NC=N2)C1	REAL300005638387	0	41	0.0	-55.11	328.32	8.04	-47.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)OC2=CC=CC=C2)C1	REAL300005638388	0	50	0.0	-73.83	357.09	9.07	-64.76
CC1=CC=CC=C1C1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC1	REAL300005638389	0	53	0.0	-47.90	371.23	10.94	-36.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=CC4=C3C=CC=C4)O2)C1	REAL300005638390	0	49	0.0	-57.56	380.58	10.90	-46.66
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005638391	0	46	0.0	-62.27	367.30	4.41	-57.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CSC=C3S2)C1	REAL300005638392	0	40	0.0	-50.27	326.74	8.72	-41.55
CC1=CC=CC=C1CC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638393	0	52	0.0	-51.77	384.46	10.58	-41.19
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC(C(F)F)=C1	REAL300005638394	0	43	0.0	-48.35	334.23	8.54	-39.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CC4=C(Cl)C=CC=C4C32)C1	REAL300005638395	0	48	0.0	-49.98	372.73	11.15	-38.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300005638396	0	47	0.0	-70.92	349.73	10.32	-60.60
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCCC1	REAL300005638397	0	50	0.0	-72.29	350.75	8.34	-63.95
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638398	0	50	0.0	-50.29	367.45	10.89	-39.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC=CC=C3CO2)C1	REAL300005638399	0	48	0.0	-67.07	348.73	9.67	-57.40
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCCCC1	REAL300005638400	0	53	0.0	-52.52	368.67	9.11	-43.41
CC(CC1=CC=CO1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638401	0	46	0.0	-53.00	348.91	8.25	-44.75
CC1CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C2O1	REAL300005638402	0	48	0.0	-49.34	355.77	8.98	-40.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(C2)CCCCC3)C1	REAL300005638403	0	53	0.0	-45.12	370.81	10.59	-34.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC3=CC=CC=C32)C1	REAL300005638404	0	46	0.0	-50.87	361.14	11.16	-39.71
COCC1=CSC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638405	0	44	0.0	-53.23	350.43	6.58	-46.65
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCCO1	REAL300005638406	0	50	0.0	-50.89	354.86	7.77	-43.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2Cl)C1	REAL300005638407	0	47	0.0	-51.42	387.47	11.13	-40.29
CC1=CC=C2OC=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005638408	0	49	0.0	-54.24	380.00	9.96	-44.28
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(F)C=C1	REAL300005638409	0	47	0.0	-50.91	363.40	8.79	-42.12
CCCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(Cl)=C1	REAL300005638410	0	52	0.0	-71.49	402.47	11.23	-60.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=C(Cl)C=CC=C32)C1	REAL300005638411	0	44	0.0	-51.27	351.73	9.94	-41.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CSN=N3)C=C2)C1	REAL300005638412	0	45	0.0	-55.65	362.89	7.97	-47.68
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CO1	REAL300005638413	0	46	0.0	-52.89	349.36	8.42	-44.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC=CC=C3CC2)C1	REAL300005638414	0	53	0.0	-51.08	384.51	10.93	-40.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C2CCC2)C2CCC2)C1	REAL300005638415	0	56	0.0	-48.71	395.38	11.13	-37.58
CC1=CC=C(COC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638416	0	53	0.0	-52.97	401.67	10.44	-42.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3CC3(F)F)C=C2)C1	REAL300005638417	0	48	0.0	-70.83	378.39	9.03	-61.80
CCCC(OCC)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638418	0	49	0.0	-51.11	359.05	8.15	-42.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC(F)(F)F)C(Cl)=C2)C1	REAL300005638419	0	44	0.0	-51.95	367.67	8.25	-43.70
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1Br	REAL300005638420	0	44	0.0	-53.71	355.60	7.87	-45.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CC4=CC=CC=C4C32)C1	REAL300005638421	0	48	0.0	-52.72	363.47	10.75	-41.97
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OC(F)(F)F	REAL300005638422	0	47	0.0	-52.59	370.51	8.41	-44.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC(F)=CC=C3C2)C1	REAL300005638423	0	48	0.0	-55.30	367.36	8.74	-46.56
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(S(C)(=O)=O)O1	REAL300005638424	0	46	0.0	-58.68	371.14	4.39	-54.29
CC1=CC=CC=C1COC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638425	0	53	0.0	-52.54	396.44	10.47	-42.07
CCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC(F)(F)CC1	REAL300005638426	0	52	0.0	-44.50	348.47	8.69	-35.81
CN1N=CC(C(F)(F)F)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638427	0	43	0.0	-54.33	346.65	7.29	-47.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2OCCO[C@@H]2C2=CC=CC=C2)C1	REAL300005638428	0	52	0.0	-47.17	373.77	8.65	-38.52
CC1=CCC(C)(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005638429	0	50	0.0	-48.79	349.86	8.78	-40.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2OC(C)(C)C)C1	REAL300005638430	0	50	0.0	-52.77	371.17	7.73	-45.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300005638431	0	40	0.0	-53.51	335.71	8.01	-45.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CC[C@@H](C3=CC=CC=C3)C2)C1	REAL300005638432	0	53	0.0	-51.65	381.75	11.66	-39.99
COCCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638433	0	50	0.0	-53.96	378.69	6.83	-47.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CC3)N=C2)C1	REAL300005638434	0	44	0.0	-52.80	332.91	7.70	-45.10
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1CCOCC1	REAL300005638435	0	54	0.0	-54.31	396.38	8.32	-45.99
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005638436	0	50	0.0	-78.44	393.24	8.23	-70.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CCCCCC2)C1	REAL300005638437	0	59	0.0	-51.34	400.95	11.39	-39.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300005638438	0	40	0.0	-45.28	328.17	8.49	-36.79
CC1=NN(C2CCOCC2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638439	0	54	0.0	-55.08	399.82	7.29	-47.79
CCOC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638440	0	51	0.0	-52.58	390.67	9.65	-42.93
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638441	0	48	0.0	-53.90	368.75	8.74	-45.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCCN3C=C2)C1	REAL300005638442	0	48	0.0	-54.70	353.85	9.25	-45.45
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005638443	0	49	0.0	-54.36	402.12	9.31	-45.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3C(C2)C3(F)F)C1	REAL300005638444	0	47	0.0	-67.43	343.57	9.09	-58.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C(C)(F)F)CC2)C1	REAL300005638445	0	43	0.0	-54.91	327.78	7.71	-47.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CCOCC2)C1	REAL300005638446	0	47	0.0	-52.67	339.86	6.34	-46.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CC3)N=N2)C1	REAL300005638447	0	43	0.0	-61.70	333.79	6.33	-55.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1	REAL300005638448	0	51	0.0	-56.81	386.92	4.77	-52.04
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC(F)F	REAL300005638449	0	51	0.0	-56.78	399.04	8.41	-48.37
CC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Br	REAL300005638450	0	46	0.0	-45.89	361.45	10.53	-35.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC3=C2COCC3)C1	REAL300005638451	0	44	0.0	-58.11	334.64	6.12	-51.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC(F)=CC(F)=C3)CCCC2)C1	REAL300005638452	0	53	0.0	-52.20	389.29	11.03	-41.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(S(C)(=O)=O)O2)C1	REAL300005638453	0	47	0.0	-65.28	385.22	5.21	-60.07
CCCC1CCCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638454	0	52	0.0	-44.71	356.23	9.43	-35.28
CC1=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CC=CC=C1	REAL300005638455	0	57	0.0	-53.84	435.03	12.85	-40.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)SC=C2)C1	REAL300005638456	0	37	0.0	-45.29	305.82	7.95	-37.34
CSC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005638457	0	44	0.0	-50.51	347.63	8.08	-42.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CSC3=CN=C2)C1	REAL300005638458	0	42	0.0	-51.65	330.48	7.87	-43.78
CCOC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCOCC1	REAL300005638459	0	51	0.0	-50.46	346.93	6.25	-44.21
CC1=CC(C)=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638460	0	49	0.0	-52.01	373.35	10.25	-41.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CCCCCCC32)C1	REAL300005638461	0	53	0.0	-44.96	360.79	10.55	-34.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NN=NN3C=C2)C1	REAL300005638462	0	41	0.0	-62.60	321.36	6.72	-55.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(C3CC3)CC2)C1	REAL300005638463	0	53	0.0	-45.70	377.16	10.97	-34.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3SC=CC3=NC=N2)C1	REAL300005638464	0	41	0.0	-56.23	329.96	8.09	-48.14
CCCCCCCCC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638465	0	60	0.0	-49.91	437.20	11.78	-38.13
CN1N=CC(Cl)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638466	0	40	0.0	-50.42	322.84	6.77	-43.65
CC1=CC(F)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(F)=C1	REAL300005638467	0	43	0.0	-54.08	344.06	8.85	-45.23
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1OC(C)C	REAL300005638468	0	54	0.0	-73.84	406.16	9.24	-64.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CC=C(Br)N3N=C2)C1	REAL300005638469	0	43	0.0	-55.16	349.41	8.67	-46.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(F)(F)N2C=C(C3=CC=CC=C3)N=N2)C1	REAL300005638470	0	49	0.0	-57.37	391.98	8.48	-48.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CS2)C1	REAL300005638471	0	41	0.0	-52.34	329.56	8.51	-43.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3(CC3)C2)C1	REAL300005638472	0	50	0.0	-71.60	363.29	9.66	-61.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1	REAL300005638473	0	50	0.0	-50.89	380.11	8.37	-42.52
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005638474	0	47	0.0	-53.34	351.52	7.91	-45.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)N=C2)C1	REAL300005638475	0	50	0.0	-51.40	392.13	8.64	-42.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=CC=C3F)N=C2)C1	REAL300005638476	0	50	0.0	-55.29	392.21	8.62	-46.67
CN1C=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005638477	0	45	0.0	-60.43	348.72	6.21	-54.22
CCOCCOCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638478	0	53	0.0	-53.43	403.03	6.97	-46.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC2CC2=CC=CC=C2)C1	REAL300005638479	0	56	0.0	-45.32	391.29	11.53	-33.79
CCCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Cl)C=C1	REAL300005638480	0	52	0.0	-50.19	403.69	11.18	-39.01
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638481	0	57	0.0	-58.47	428.35	7.96	-50.51
COC1=CC=CC(C(OC)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638482	0	51	0.0	-55.48	386.51	8.02	-47.46
COCCOCCOCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638483	0	57	0.0	-55.26	436.66	6.34	-48.92
COC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1OC	REAL300005638484	0	54	0.0	-56.39	410.30	9.40	-46.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(N3C=NN=N3)CCOCC2)C1	REAL300005638485	0	52	0.0	-55.18	380.70	7.08	-48.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CN2C=CN=N2)C1	REAL300005638486	0	49	0.0	-55.54	373.11	8.77	-46.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CN2C=CN=N2)C1	REAL300005638487	0	49	0.0	-55.54	373.11	8.77	-46.77
CCCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638488	0	46	0.0	-48.35	339.13	7.77	-40.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC3=CC=CN=C3)C=C2)C1	REAL300005638489	0	51	0.0	-58.01	391.92	8.42	-49.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(C(C)(C)C)C=C2)C1	REAL300005638490	0	56	0.0	-52.01	415.43	11.75	-40.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3(CC3)CC2)C1	REAL300005638491	0	50	0.0	-45.62	358.22	10.21	-35.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC(F)=CC=C32)C1	REAL300005638492	0	47	0.0	-51.40	358.52	9.99	-41.41
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005638493	0	53	0.0	-51.69	395.77	11.44	-40.25
CC1=CC=CC=C1COCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638494	0	50	0.0	-53.01	381.18	10.02	-42.99
CC1=CC=CC(COCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638495	0	50	0.0	-53.50	386.42	10.00	-43.50
CC1=CC=C(COCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638496	0	50	0.0	-53.51	386.42	10.02	-43.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C2Br)OCO3)C1	REAL300005638497	0	43	0.0	-49.50	346.50	7.69	-41.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1	REAL300005638498	0	49	0.0	-50.48	363.29	9.12	-41.36
CC(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638499	0	49	0.0	-51.78	365.04	9.77	-42.01
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638500	0	47	0.0	-46.41	379.54	10.68	-35.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CN3C=CN=N3)=C2)C1	REAL300005638501	0	49	0.0	-59.81	382.20	8.28	-51.53
CCN1N=CC(Cl)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638502	0	43	0.0	-55.12	343.57	7.71	-47.41
CCCCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C	REAL300005638503	0	54	0.0	-49.95	374.40	9.64	-40.31
CCOCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638504	0	50	0.0	-51.30	379.31	7.03	-44.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300005638505	0	53	0.0	-49.57	399.03	10.78	-38.79
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CS1	REAL300005638506	0	44	0.0	-52.05	347.92	9.27	-42.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC=C2C(F)(F)F)C1	REAL300005638507	0	40	0.0	-44.55	327.39	8.49	-36.06
COCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCCC1	REAL300005638508	0	53	0.0	-64.50	353.36	8.03	-56.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CC2(C)C)C1	REAL300005638509	0	53	0.0	-48.58	382.37	11.31	-37.27
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638510	0	48	0.0	-54.41	384.53	7.26	-47.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)C1	REAL300005638511	0	50	0.0	-58.04	389.54	9.54	-48.50
CC1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)(C2=CC=CC(Cl)=C2)C1	REAL300005638512	0	53	0.0	-43.26	384.13	10.93	-32.33
COC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2)C=C1OC	REAL300005638513	0	58	0.0	-53.21	424.91	9.30	-43.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=C(Cl)C=CC=C3Cl)CCC2)C1	REAL300005638514	0	50	0.0	-51.38	374.61	11.23	-40.15
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(O)=C1	REAL300005638515	0	45	0.0	-47.10	337.63	5.86	-41.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCC2=CC=C(Cl)C=C2)C1	REAL300005638516	0	52	0.0	-51.90	411.66	11.82	-40.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300005638517	0	59	0.0	-54.83	420.41	12.96	-41.87
COC(C)(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1F	REAL300005638518	0	50	0.0	-68.44	360.00	8.63	-59.81
COC1CCCC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005638519	0	53	0.0	-51.41	382.83	8.21	-43.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC(F)(F)C2)C1	REAL300005638520	0	43	0.0	-51.66	331.64	8.18	-43.48
CC1=C2SC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=CC=C1	REAL300005638521	0	46	0.0	-54.12	362.28	9.89	-44.23
CCC(C)C(OC)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638522	0	49	0.0	-50.56	355.86	7.79	-42.77
COCCOC1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005638523	0	57	0.0	-52.52	409.43	7.30	-45.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(C3CC3)=C2)C1	REAL300005638524	0	50	0.0	-51.74	379.75	11.02	-40.72
CC1=C(C)C=C2C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=COC2=C1	REAL300005638525	0	49	0.0	-54.90	372.03	9.59	-45.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(C)(C)C(F)(F)F)C=C2)C1	REAL300005638526	0	52	0.0	-55.23	395.34	10.45	-44.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2CCC2)C2CCC2)C1	REAL300005638527	0	53	0.0	-45.20	367.51	10.49	-34.71
CC1CCN2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=C2C1	REAL300005638528	0	50	0.0	-52.79	364.81	10.04	-42.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	REAL300005638529	0	51	0.0	-51.36	374.85	8.17	-43.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CC[C@H](CC3=CC=CC=C3)O2)C1	REAL300005638530	0	54	0.0	-78.06	402.08	11.03	-67.03
CCC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)(C)C	REAL300005638531	0	54	0.0	-49.40	371.94	9.33	-40.07
CCC1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638532	0	46	0.0	-54.11	349.36	9.35	-44.76
COCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CS1	REAL300005638533	0	44	0.0	-48.54	343.51	7.20	-41.34
CN1C=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C21	REAL300005638534	0	47	0.0	-54.94	359.10	9.61	-45.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCCO3)CCC2)C1	REAL300005638535	0	54	0.0	-51.96	379.13	8.42	-43.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CCC2)C1	REAL300005638536	0	52	0.0	-53.87	393.68	10.74	-43.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=CC(C(F)(F)F)=N2)C1	REAL300005638537	0	51	0.0	-83.35	382.47	9.53	-73.82
COC1=CC=C(F)C(OC)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638538	0	48	0.0	-58.02	378.15	6.93	-51.09
CNC1=NC(C)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005638539	0	46	0.0	-54.48	353.97	7.89	-46.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3=CC=CC=N3)N=N2)C1	REAL300005638540	0	48	0.0	-64.51	380.14	6.86	-57.65
COC1=CC2=C(C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)OCO2	REAL300005638541	0	47	0.0	-50.77	356.30	6.72	-44.05
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638542	0	56	0.0	-53.73	424.47	9.65	-44.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(Cl)S2)C1	REAL300005638543	0	41	0.0	-47.22	340.52	9.65	-37.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2OC(F)(F)F)C1	REAL300005638544	0	48	0.0	-51.36	384.19	9.29	-42.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3CCOCC3)C=C2)C1	REAL300005638545	0	51	0.0	-55.91	381.02	7.14	-48.77
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(C2=CC=CC=C2)O1	REAL300005638546	0	50	0.0	-55.33	387.28	10.53	-44.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC(F)(F)CC2)C1	REAL300005638547	0	49	0.0	-51.65	361.49	9.35	-42.30
CC1=CN(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1C(F)(F)F	REAL300005638548	0	46	0.0	-51.99	361.45	7.98	-44.01
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638549	0	50	0.0	-47.77	373.83	11.42	-36.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)F)N=CO2)C1	REAL300005638550	0	39	0.0	-55.04	311.70	3.86	-51.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)F)O2)C1	REAL300005638551	0	40	0.0	-48.12	316.10	7.85	-40.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300005638552	0	54	0.0	-53.13	413.51	12.84	-40.29
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=C(F)C=C1	REAL300005638553	0	47	0.0	-55.76	363.30	9.04	-46.72
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1CCCOC1	REAL300005638554	0	58	0.0	-68.33	415.51	9.18	-59.15
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1CC1CCCOC1	REAL300005638555	0	61	0.0	-55.16	439.25	10.03	-45.13
CC1=NOC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCOCC2)=C1	REAL300005638556	0	53	0.0	-58.75	384.33	7.09	-51.66
CCOC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C	REAL300005638557	0	49	0.0	-50.91	354.87	7.95	-42.96
CC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1Br	REAL300005638558	0	49	0.0	-54.26	385.30	10.23	-44.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2COCC2=CC=CC=C2)C1	REAL300005638559	0	57	0.0	-49.32	429.70	12.28	-37.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(F)=C2OC(F)(F)F)C1	REAL300005638560	0	44	0.0	-52.77	361.29	7.94	-44.83
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2CCOC2)=N1	REAL300005638561	0	50	0.0	-53.20	387.05	6.48	-46.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2CC2=CC=C(Cl)C=C2)C1	REAL300005638562	0	55	0.0	-49.89	422.64	9.43	-40.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300005638563	0	43	0.0	-46.96	358.33	10.43	-36.53
CC1=CN2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=C2C=C1	REAL300005638564	0	46	0.0	-54.50	348.39	10.42	-44.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2CC2CCC2)C1	REAL300005638565	0	50	0.0	-52.48	366.30	8.56	-43.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(Cl)=CC3=CC=CC=C32)C1	REAL300005638566	0	49	0.0	-52.14	390.05	11.59	-40.55
COC1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)SC2=C1	REAL300005638567	0	47	0.0	-52.10	365.82	9.08	-43.02
COC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=COC2=C1C	REAL300005638568	0	53	0.0	-55.00	407.99	9.35	-45.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(F)C3=CC=CC=C23)C1	REAL300005638569	0	50	0.0	-48.21	382.09	12.13	-36.08
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638570	0	54	0.0	-50.98	409.53	11.92	-39.06
CC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005638571	0	43	0.0	-51.83	336.66	8.37	-43.46
CC1CN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)CC(C)O1	REAL300005638572	0	59	0.0	-48.23	425.18	8.69	-39.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(C)(C)CC2C2=CC=CC=C2)C1	REAL300005638573	0	62	0.0	-47.57	422.33	12.95	-34.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CC3(CCC3)C2)C1	REAL300005638574	0	57	0.0	-44.63	396.28	11.95	-32.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C(F)F)CCC2)C1	REAL300005638575	0	43	0.0	-69.30	315.62	7.62	-61.68
CC1=CN(C(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1C(F)(F)F	REAL300005638576	0	52	0.0	-85.24	392.67	8.92	-76.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2CCCCO2)C1	REAL300005638577	0	53	0.0	-44.55	360.49	8.02	-36.53
CC(=CC1CCC(C)CC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638578	0	56	0.0	-51.11	400.22	10.72	-40.39
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005638579	0	46	0.0	-67.99	353.85	8.46	-59.53
CC1OC(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1C	REAL300005638580	0	50	0.0	-71.64	353.67	7.36	-64.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCO[C@H]2C2=CC=C(Cl)C(F)=C2)C1	REAL300005638581	0	51	0.0	-51.53	398.16	10.01	-41.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@]23CCC[C@H]2OCC3)C1	REAL300005638582	0	48	0.0	-51.17	339.18	6.63	-44.54
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638583	0	58	0.0	-51.12	397.41	10.90	-40.22
CC1=CC=CC=C1C1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCC1	REAL300005638584	0	56	0.0	-51.11	388.18	10.80	-40.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC2C2=CC=C(F)C=C2)C1	REAL300005638585	0	50	0.0	-50.47	367.97	10.31	-40.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(C(F)F)=C2)C1	REAL300005638586	0	40	0.0	-55.94	321.20	7.03	-48.91
CSCCCCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638587	0	52	0.0	-51.73	401.26	10.29	-41.44
CCC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2O1	REAL300005638588	0	52	0.0	-54.75	397.17	10.79	-43.96
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CN=CC=N1	REAL300005638589	0	52	0.0	-57.78	399.39	8.97	-48.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CSC=C2)C1	REAL300005638590	0	44	0.0	-51.67	348.38	9.19	-42.48
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C(F)(F)F	REAL300005638591	0	46	0.0	-51.52	359.14	9.39	-42.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(OCC3=CC=CC=C3)=CS2)C1	REAL300005638592	0	51	0.0	-53.39	407.41	10.14	-43.25
CCOC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638593	0	53	0.0	-53.33	403.29	9.96	-43.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)COC3=CC=CC=C3O2)C1	REAL300005638594	0	49	0.0	-55.14	365.23	8.57	-46.57
CC1=CN2C=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=C2S1	REAL300005638595	0	46	0.0	-57.77	368.99	9.55	-48.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC3=CC=CC=C3O2)C1	REAL300005638596	0	48	0.0	-53.50	365.43	9.07	-44.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CC3CCC2C3)C1	REAL300005638597	0	50	0.0	-49.75	341.71	8.64	-41.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCC(F)(F)CC2)C1	REAL300005638598	0	49	0.0	-71.62	341.59	8.43	-63.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CSC(C(F)(F)F)=C2)C1	REAL300005638599	0	44	0.0	-51.05	369.93	9.56	-41.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1	REAL300005638600	0	49	0.0	-44.77	350.51	9.60	-35.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(CCC(F)(F)F)=N2)C1	REAL300005638601	0	48	0.0	-51.61	389.40	8.91	-42.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=C(F)C=CC=C2Cl)C1	REAL300005638602	0	47	0.0	-48.16	369.46	11.14	-37.02
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1C=CC(C(F)(F)F)=N1	REAL300005638603	0	46	0.0	-63.15	363.78	7.77	-55.38
CC1=CC(C)=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005638604	0	53	0.0	-52.67	395.23	11.15	-41.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2C(F)(F)F)C1	REAL300005638605	0	47	0.0	-52.09	372.87	10.25	-41.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C3NC=CC3=C2)C1	REAL300005638606	0	48	0.0	-54.61	370.66	9.47	-45.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CCCC3)N=C2)C1	REAL300005638607	0	53	0.0	-51.28	388.41	9.67	-41.61
COCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638608	0	47	0.0	-51.51	357.45	6.06	-45.45
CC1=CC=CC(COC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638609	0	53	0.0	-52.98	402.48	10.47	-42.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(C)C)C1	REAL300005638610	0	53	0.0	-50.84	392.62	11.15	-39.69
COC1=CC(C)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005638611	0	50	0.0	-53.26	373.67	8.53	-44.73
COCCN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005638612	0	50	0.0	-56.11	381.18	6.04	-50.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(C3=CC=CC=C3)CC2)C1	REAL300005638613	0	50	0.0	-50.45	373.56	10.70	-39.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=COC3=CC(Cl)=CC=C23)C1	REAL300005638614	0	46	0.0	-52.88	375.23	9.81	-43.07
CCC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=CC=C1	REAL300005638615	0	50	0.0	-47.71	372.85	10.26	-37.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(F)C3=C2CCCC3)C1	REAL300005638616	0	56	0.0	-53.05	413.53	12.01	-41.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	REAL300005638617	0	45	0.0	-52.45	333.93	6.02	-46.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(F)C3=CC=CC=C23)C1	REAL300005638618	0	52	0.0	-54.47	399.94	11.89	-42.58
CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Br)C=C1	REAL300005638619	0	49	0.0	-74.43	386.17	10.62	-63.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CC4=CC(Cl)=CC=C4C32)C1	REAL300005638620	0	48	0.0	-49.09	372.80	11.14	-37.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C3OCCCOC3=C2)C1	REAL300005638621	0	58	0.0	-55.23	436.28	10.47	-44.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3CC2C2CC23)C1	REAL300005638622	0	48	0.0	-45.16	332.13	9.68	-35.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC=C(Cl)C=C32)C1	REAL300005638623	0	44	0.0	-52.20	351.74	9.92	-42.28
CCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=N1	REAL300005638624	0	46	0.0	-53.48	349.07	7.10	-46.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=C(C(F)(F)F)SC=C2)C1	REAL300005638625	0	44	0.0	-51.30	365.00	9.38	-41.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CCOCC3)C=C2)C1	REAL300005638626	0	54	0.0	-53.20	399.07	9.34	-43.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(C(F)F)C=C2)C1	REAL300005638627	0	49	0.0	-52.68	384.13	10.60	-42.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300005638628	0	42	0.0	-56.58	334.74	7.04	-49.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@@H]2C2=CC=CC=C2)C1	REAL300005638629	0	56	0.0	-47.54	382.42	11.84	-35.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC=CC2=O)C1	REAL300005638630	0	43	0.0	-60.04	334.86	7.51	-52.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=NNC3=CC=C2)C1	REAL300005638631	0	43	0.0	-49.65	328.03	7.08	-42.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=NNC=C32)C1	REAL300005638631	1	43	0.0	-54.30	328.69	7.15	-47.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2CCCCC2=O)C1	REAL300005638632	0	47	0.0	-56.62	350.83	7.18	-49.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2C=C(Cl)C=N2)C1	REAL300005638633	0	43	0.0	-55.07	349.99	7.41	-47.66
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C1CC1	REAL300005638634	0	47	0.0	-50.23	352.74	8.79	-41.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300005638635	0	45	0.0	-57.44	348.18	8.48	-48.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=NC=C2)C1	REAL300005638636	0	45	0.0	-53.76	346.81	7.97	-45.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300005638637	0	45	0.0	-54.37	344.27	8.31	-46.06
CN(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=N1	REAL300005638638	0	47	0.0	-54.75	354.88	7.65	-47.10
CN1C=NC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005638639	0	46	0.0	-51.47	348.94	9.76	-41.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=NC=N2)C1	REAL300005638640	0	44	0.0	-55.23	341.12	7.75	-47.48
CN1N=CC=C1COCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638641	0	47	0.0	-56.01	365.85	7.02	-48.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=N2)C1	REAL300005638642	0	45	0.0	-54.23	346.11	7.96	-46.27
CC1=CC(=O)N(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638643	0	46	0.0	-60.55	356.32	8.16	-52.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=NNC=C3C=C2)C1	REAL300005638644	0	46	0.0	-58.72	356.79	7.63	-51.09
CC(C)CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638645	0	49	0.0	-50.99	360.62	8.58	-42.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=CN=C2)C1	REAL300005638647	0	48	0.0	-53.06	343.85	7.64	-45.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC3=CC=NC=C32)C1	REAL300005638648	0	44	0.0	-56.24	340.53	6.48	-49.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CC3)N=CO2)C1	REAL300005638649	0	43	0.0	-49.07	326.03	5.65	-43.42
COC1=NSC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638650	0	40	0.0	-54.51	322.94	3.71	-50.80
CC1=CC2=C(SC=C2CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005638651	0	46	0.0	-52.41	380.17	10.19	-42.22
CCOC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCOC1	REAL300005638652	0	51	0.0	-51.08	368.01	6.67	-44.41
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C(C)(C)C	REAL300005638653	0	54	0.0	-49.61	367.76	8.91	-40.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@H]2C2=CC=CC(Cl)=C2)C1	REAL300005638654	0	56	0.0	-43.21	408.93	11.95	-31.26
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC(F)=CC=C2F)=N1	REAL300005638655	0	50	0.0	-52.88	398.30	9.93	-42.95
COC1=CC=CC(C(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638656	0	53	0.0	-54.58	377.89	8.72	-45.86
COC1=CC=CC=C1C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005638657	0	51	0.0	-56.05	405.09	10.09	-45.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC(C)(C)C)C=C2)C1	REAL300005638658	0	55	0.0	-51.90	403.04	10.97	-40.93
CCOC1COCCC1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638659	0	54	0.0	-51.60	394.91	6.85	-44.75
CCC1CCCCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638660	0	52	0.0	-50.40	368.94	9.50	-40.90
CCOC1CC2(CC2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005638661	0	51	0.0	-45.53	376.81	9.08	-36.45
CCC1=CC2=C(SC=C2CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005638662	0	49	0.0	-52.15	401.66	10.96	-41.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C(F)F)N=C2)C1	REAL300005638663	0	40	0.0	-52.00	314.58	6.26	-45.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(F)(F)F)=NC=N2)C1	REAL300005638664	0	41	0.0	-48.26	329.62	8.41	-39.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=COC3=C(Cl)C(Cl)=CC=C23)C1	REAL300005638665	0	46	0.0	-53.71	390.39	10.28	-43.43
CCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005638666	0	46	0.0	-51.55	359.92	9.22	-42.33
CCOCCCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638667	0	52	0.0	-51.36	390.55	8.31	-43.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2CCOCC2)C1	REAL300005638668	0	54	0.0	-52.38	400.64	7.02	-45.36
CCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2CC2)=N1	REAL300005638669	0	50	0.0	-54.63	383.22	8.69	-45.94
CSC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CO1	REAL300005638670	0	41	0.0	-53.58	330.14	7.14	-46.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3C=CC=CN23)C1	REAL300005638671	0	43	0.0	-60.89	330.06	8.21	-52.68
CCN1CCOCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638672	0	49	0.0	-52.65	348.80	4.44	-48.21
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2CC2)=N1	REAL300005638673	0	49	0.0	-54.90	373.28	9.05	-45.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COCCN2C2CCCC2)C1	REAL300005638674	0	56	0.0	-48.41	386.83	6.56	-41.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3CCCCN23)C1	REAL300005638675	0	47	0.0	-54.08	341.99	8.45	-45.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2C2CC2)C1	REAL300005638676	1	49	0.0	-70.07	356.90	6.99	-63.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(CC(F)(F)F)C2)C1	REAL300005638677	0	48	0.0	-52.20	363.02	6.01	-46.19
CCCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=N1	REAL300005638678	0	51	0.0	-56.09	382.67	8.92	-47.17
CN1N=NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CN=C21	REAL300005638679	0	44	0.0	-59.14	345.68	5.75	-53.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CN=C3)CCCC2)C1	REAL300005638680	0	52	0.0	-54.64	369.45	9.23	-45.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC=CN=C32)C1	REAL300005638681	0	46	0.0	-51.23	335.69	9.05	-42.18
CC1=NC=C2CCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CN12	REAL300005638682	0	50	0.0	-57.12	371.41	8.79	-48.33
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638684	0	54	0.0	-54.72	405.58	10.34	-44.38
CC(CC1=CNC=N1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638685	0	46	0.0	-56.12	344.66	8.12	-48.00
CC(CC1=CN=CN1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638685	1	46	0.0	-55.62	346.38	7.48	-48.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3CCCN23)C1	REAL300005638686	0	44	0.0	-55.61	330.27	7.80	-47.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC3=CC=CC=C32)C1	REAL300005638687	0	52	0.0	-53.64	394.42	11.85	-41.79
CC(CCC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638688	0	52	0.0	-51.55	396.15	10.96	-40.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C)(C)C2=CC=C(F)C=C2)C1	REAL300005638689	0	52	0.0	-51.52	382.33	10.56	-40.96
COCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005638690	0	47	0.0	-53.83	364.48	7.85	-45.98
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638691	0	53	0.0	-65.99	416.92	5.88	-60.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC23CCOCC3)C1	REAL300005638692	0	51	0.0	-49.85	350.36	7.19	-42.66
CCOC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCOCC1	REAL300005638693	0	54	0.0	-51.93	387.38	7.44	-44.49
CCOC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCCC1	REAL300005638694	0	53	0.0	-72.60	372.60	9.30	-63.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3CC(C)(C)OC3=C2)C1	REAL300005638695	0	51	0.0	-53.22	381.69	9.09	-44.13
CCN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005638696	0	46	0.0	-52.99	344.00	7.54	-45.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C4CC4)C=CC=C3N2)C1	REAL300005638697	0	51	0.0	-52.89	384.96	10.41	-42.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CC3)N=C2)C1	REAL300005638698	0	47	0.0	-53.85	357.23	8.64	-45.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	REAL300005638699	0	48	0.0	-51.42	338.88	7.71	-43.71
CC1=CC2=C(S1)C(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)=CS2	REAL300005638700	0	46	0.0	-52.47	379.46	10.18	-42.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C3=C(F)C=CC=C3S2)C1	REAL300005638701	0	43	0.0	-47.60	356.53	10.33	-37.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C1	REAL300005638702	0	51	0.0	-57.74	394.20	9.40	-48.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(=O)C2=CC=C(F)C=C2)C1	REAL300005638703	0	42	0.0	-57.23	338.94	7.96	-49.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CC3)O2)C1	REAL300005638704	0	43	0.0	-49.17	329.13	5.94	-43.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3O)=NN2)C1	REAL300005638705	0	48	0.0	-57.71	372.49	5.74	-51.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3=CC=CC=C3O)=C2)C1	REAL300005638705	1	48	0.0	-51.93	369.59	6.41	-45.52
CCC1CCCC1(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638706	0	52	0.0	-48.41	355.61	9.02	-39.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)C1	REAL300005638707	0	50	0.0	-52.59	372.34	10.18	-42.41
CC1=CC(C)=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005638708	0	46	0.0	-51.35	361.94	9.44	-41.91
CCN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C1CC1	REAL300005638709	0	50	0.0	-57.18	381.37	8.45	-48.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(F)(F)C2=CC=C(C(C)(C)C)C=C2)C1	REAL300005638710	0	55	0.0	-55.45	413.96	11.21	-44.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2F)C1	REAL300005638711	0	44	0.0	-52.00	344.85	9.47	-42.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C3OCOC3=C2)C1	REAL300005638712	0	47	0.0	-53.68	365.37	8.10	-45.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(F)C=C2)C1	REAL300005638713	0	44	0.0	-52.38	345.74	9.49	-42.89
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CS2)CC1	REAL300005638714	0	58	0.0	-52.43	440.99	10.46	-41.97
COC1=CC=C(C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NO2)C=C1	REAL300005638715	0	50	0.0	-58.11	390.31	8.80	-49.31
CCC1=CC=C(C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NO2)C=C1	REAL300005638716	0	52	0.0	-56.74	404.02	10.96	-45.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005638717	0	52	0.0	-53.89	384.90	10.55	-43.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C(F)C=C2F)C1	REAL300005638718	0	49	0.0	-51.87	356.81	9.50	-42.37
C=CCCCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005638719	0	56	0.0	-50.69	418.27	11.85	-38.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)OCCC3=CC=CC=C32)C1	REAL300005638720	0	51	0.0	-49.30	362.09	9.35	-39.95
CC1=CC=C(Cl)C=C1OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638721	0	47	0.0	-53.52	376.26	10.07	-43.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC(C(C)(C)C)(C2)C3)C1	REAL300005638722	0	53	0.0	-50.74	386.10	10.05	-40.69
CC1=CC(C(F)(F)F)=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005638723	0	44	0.0	-54.61	359.52	7.44	-47.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)F)C=CS2)C1	REAL300005638724	0	40	0.0	-51.82	330.39	7.95	-43.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(C(F)(F)F)=C2)C1	REAL300005638725	0	50	0.0	-51.96	396.79	11.26	-40.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC(C)(C)CO2)C1	REAL300005638726	0	53	0.0	-44.96	375.74	9.41	-35.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C)(C)CC(F)F)C1	REAL300005638727	0	48	0.0	-51.37	348.28	8.55	-42.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2CCCCS2(=O)=O)C1	REAL300005638728	0	48	0.0	-58.88	368.07	4.57	-54.31
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CNN=C2C=C1	REAL300005638729	0	46	0.0	-55.40	347.08	7.89	-47.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300005638730	0	44	0.0	-54.46	360.49	8.02	-46.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCOC3=C(F)C=CC=C32)C1	REAL300005638731	0	48	0.0	-51.52	358.27	9.14	-42.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(S(C)(=O)=O)CC2)C1	REAL300005638732	0	52	0.0	-61.15	390.82	5.70	-55.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC(F)=C3)S2)C1	REAL300005638733	0	47	0.0	-55.74	379.19	10.63	-45.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=C(C(F)F)C=C2C2CC2)C1	REAL300005638734	0	50	0.0	-59.48	389.94	9.26	-50.22
CCC(CC1=CC=CC(C)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638735	0	55	0.0	-51.44	407.13	11.34	-40.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC(C)(C)C)=C2)C1	REAL300005638736	0	53	0.0	-52.97	385.35	9.03	-43.94
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638737	0	48	0.0	-57.81	371.23	9.64	-48.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CC(F)(F)C2)C1	REAL300005638738	0	43	0.0	-50.99	320.35	7.45	-43.54
CC(C)OC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC1	REAL300005638739	0	50	0.0	-53.04	357.63	8.53	-44.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCCO3)CCOCC2)C1	REAL300005638740	0	58	0.0	-50.59	391.56	8.12	-42.47
CC1=CC=C2OCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1	REAL300005638741	0	49	0.0	-67.99	373.60	9.12	-58.87
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005638742	0	52	0.0	-54.88	397.95	8.64	-46.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(SC(F)F)C=C2)C1	REAL300005638743	0	48	0.0	-55.04	388.91	10.69	-44.35
COC1=CC=C(OC)C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638744	0	52	0.0	-56.05	397.13	8.08	-47.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CSC=C2)C1	REAL300005638745	0	41	0.0	-51.82	329.40	8.38	-43.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC3=C2CC(C)(C)CC3)C1	REAL300005638746	0	52	0.0	-57.30	379.12	9.43	-47.87
CCC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638747	0	46	0.0	-54.62	348.08	6.99	-47.63
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2=CC=C(C)C=C2)=N1	REAL300005638748	0	52	0.0	-55.23	411.37	10.11	-45.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3CCCC3)=N2)C1	REAL300005638749	0	52	0.0	-52.31	393.34	9.33	-42.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3CC3)=N2)C1	REAL300005638750	0	46	0.0	-53.95	367.02	8.10	-45.85
CC1CCC(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005638751	0	53	0.0	-51.45	387.83	9.56	-41.89
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)(F)F)=CO1	REAL300005638752	0	43	0.0	-53.01	347.37	8.52	-44.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2CCC3=CC=CC=C32)C1	REAL300005638753	0	53	0.0	-51.02	394.38	11.48	-39.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300005638754	0	42	0.0	-51.90	339.49	7.96	-43.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2CC(C)(C)CO2)C1	REAL300005638755	0	53	0.0	-47.72	383.47	8.69	-39.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C)(C)CC(F)(F)F)C1	REAL300005638756	0	48	0.0	-50.75	352.05	8.62	-42.13
COC1=CC=C(CCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005638757	0	60	0.0	-56.01	453.68	10.49	-45.52
COC1=CC=C2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2=C1	REAL300005638758	0	54	0.0	-53.53	399.78	9.82	-43.71
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638759	0	48	0.0	-49.91	339.08	7.16	-42.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=CN=C3)C=C2)C1	REAL300005638760	0	50	0.0	-58.63	388.62	11.17	-47.46
CC1=NC(CN2CCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2)=CS1	REAL300005638761	0	57	0.0	-71.30	430.59	7.36	-63.94
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1CCN(C)CC1	REAL300005638762	0	53	0.0	-71.50	370.90	3.83	-67.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC3(CCC3)CO2)C1	REAL300005638763	0	54	0.0	-45.07	384.75	10.07	-35.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC3(CCOCC3)CO2)C1	REAL300005638764	0	58	0.0	-45.83	401.52	8.69	-37.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1	REAL300005638765	0	48	0.0	-66.81	350.39	7.72	-59.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3CCC(C2)S3)C1	REAL300005638766	0	48	0.0	-56.78	325.07	8.99	-47.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC=C2C(F)F)C1	REAL300005638767	0	40	0.0	-53.47	326.68	7.84	-45.63
COC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005638768	0	57	0.0	-55.51	432.18	9.71	-45.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(F)F)C1	REAL300005638769	0	47	0.0	-52.87	367.92	10.32	-42.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C(Br)C=C2)C1	REAL300005638770	0	49	0.0	-51.36	394.73	11.14	-40.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC(F)=CC(F)=C3)C=C2)C1	REAL300005638771	0	47	0.0	-57.05	376.68	9.79	-47.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCC2=CC=CC=C2)C1	REAL300005638772	0	52	0.0	-51.62	394.92	11.29	-40.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC(C)(C)CO2)C1	REAL300005638773	0	50	0.0	-51.21	367.22	8.05	-43.16
CC1=C2OC=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=CC=C1Cl	REAL300005638774	0	49	0.0	-53.02	393.93	10.40	-42.62
CC1=CN2N=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2N=C1	REAL300005638775	0	45	0.0	-60.29	349.95	7.46	-52.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C([N+](=O)[O-])=C2N)C1	REAL300005638776	0	50	0.0	-52.79	387.29	9.72	-43.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC3(CCC3)O2)C1	REAL300005638777	0	51	0.0	-50.88	374.04	8.93	-41.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCOC3(CCC3)C2)C1	REAL300005638778	0	51	0.0	-51.21	368.63	7.90	-43.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC(Br)=CC=C2F)C1	REAL300005638779	0	44	0.0	-51.84	366.14	10.09	-41.75
COC1=CC2=CC=C(C=CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005638780	0	54	0.0	-55.66	414.90	10.99	-44.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC=CCCC2)C1	REAL300005638781	0	50	0.0	-50.71	350.65	9.25	-41.46
CCN1N=C(C2CC2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638782	0	50	0.0	-52.97	374.86	8.59	-44.38
CN1N=C2CCCC2=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638783	0	47	0.0	-54.22	351.32	8.14	-46.08
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005638784	0	48	0.0	-57.64	371.36	10.06	-47.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300005638785	0	45	0.0	-55.15	347.09	8.27	-46.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(C2)CC(F)(F)C3)C1	REAL300005638786	0	47	0.0	-52.15	357.92	9.20	-42.95
CCSC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638787	0	50	0.0	-52.47	389.62	10.71	-41.76
C=CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC	REAL300005638788	0	56	0.0	-54.77	432.71	10.15	-44.62
CCCCC1=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2O1	REAL300005638789	0	59	0.0	-55.23	455.84	13.07	-42.16
CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Br)=C1	REAL300005638790	0	47	0.0	-51.39	379.00	10.59	-40.80
CC1=CC=CC(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)=C1	REAL300005638791	0	53	0.0	-53.02	400.90	11.96	-41.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC3=C(C=CS3)C2=O)C1	REAL300005638792	0	49	0.0	-52.33	375.22	11.29	-41.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OCCCOC3=C2[N+](=O)[O-])C1	REAL300005638793	0	51	0.0	-59.72	398.99	8.78	-50.94
COC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCSC1	REAL300005638794	0	45	0.0	-52.59	332.60	6.39	-46.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2C2CC2)C1	REAL300005638795	0	44	0.0	-54.55	335.89	7.28	-47.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC4CC(CC(C)(C4)C2)C3)C1	REAL300005638796	0	57	0.0	-73.17	375.16	10.07	-63.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCCC3)CC2)C1	REAL300005638797	0	53	0.0	-74.07	373.40	9.92	-64.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C4OCCOC4=C3)CC2)C1	REAL300005638798	0	53	0.0	-54.20	399.13	8.94	-45.26
COC1=CC=CC(C(F)F)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638799	0	47	0.0	-55.33	365.71	8.60	-46.73
CC1=CC=C(F)C(Br)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638800	0	43	0.0	-54.63	354.84	9.18	-45.45
COC1=CC=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=NN21	REAL300005638801	0	47	0.0	-58.06	357.56	6.95	-51.11
CCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC=C2)=N1	REAL300005638802	0	53	0.0	-52.65	405.85	10.57	-42.08
CC1CCC2=C(C1)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)=NN2	REAL300005638803	0	50	0.0	-55.73	368.10	7.96	-47.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)S2)C1	REAL300005638804	0	47	0.0	-55.07	395.91	9.17	-45.90
CN1N=C2CCCCC2=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638805	0	50	0.0	-53.59	369.14	8.68	-44.91
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638806	0	50	0.0	-56.03	382.94	9.22	-46.81
CN1N=C(C(F)(F)F)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638807	0	43	0.0	-56.26	345.89	6.63	-49.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C(C3CC3)C=C2)C1	REAL300005638808	0	56	0.0	-51.57	422.65	12.62	-38.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCOC3)NC2=O)C1	REAL300005638809	0	48	0.0	-59.39	367.86	4.98	-54.41
CCN1C=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638810	0	44	0.0	-54.39	346.24	8.75	-45.64
COC1=CC(OC)=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005638811	0	46	0.0	-54.89	362.14	3.06	-51.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCCS2(=O)=O)C1	REAL300005638812	0	46	0.0	-50.80	334.07	5.81	-44.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(CC3=CC=CC=C3)=C2)C1	REAL300005638813	0	49	0.0	-57.92	384.56	10.41	-47.51
COC1=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005638814	0	49	0.0	-60.41	375.96	7.48	-52.93
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005638815	0	48	0.0	-53.62	360.82	8.92	-44.70
CCN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C1CC1	REAL300005638816	0	50	0.0	-55.24	380.20	9.14	-46.10
CCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1Br	REAL300005638817	0	46	0.0	-51.98	364.70	9.77	-42.21
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC(F)=C2)=NO1	REAL300005638818	0	49	0.0	-54.81	386.88	10.47	-44.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CC3CCC2C3)C1	REAL300005638819	0	48	0.0	-57.06	345.42	8.22	-48.84
COC1=NC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638820	0	46	0.0	-55.81	361.24	4.15	-51.66
CC1=NNC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C12	REAL300005638821	0	46	0.0	-55.30	356.14	7.24	-48.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCOC3(CCCC3)C2)C1	REAL300005638822	0	54	0.0	-50.99	381.81	8.42	-42.57
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=CC=C1	REAL300005638823	0	48	0.0	-54.14	365.68	7.65	-46.49
CC1=CC(C)=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)N1	REAL300005638824	0	49	0.0	-60.38	372.80	6.98	-53.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC=CC3=N2)C1	REAL300005638825	0	43	0.0	-60.15	331.55	6.96	-53.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3N=CC=C3N2)C1	REAL300005638825	1	43	0.0	-58.97	330.52	5.98	-52.99
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2CCCC2)=N1	REAL300005638826	0	53	0.0	-53.57	393.04	8.83	-44.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CCCOCC3=CC=CC=C3)CC2)C1	REAL300005638827	0	60	0.0	-51.44	457.25	11.56	-39.88
CN1C=NC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638828	0	44	0.0	-60.44	343.85	8.86	-51.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCCCC3)C=C2)C1	REAL300005638829	0	58	0.0	-46.84	401.45	9.98	-36.86
CC(SC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638830	0	47	0.0	-52.19	377.32	10.10	-42.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)F)SC=C2)C1	REAL300005638831	0	40	0.0	-46.39	320.82	8.41	-37.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C[C@@H]2C[C@H]2CC2=CC=CC=C2)C1	REAL300005638832	0	53	0.0	-51.56	404.14	11.95	-39.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=CN=N3)O2)C1	REAL300005638833	0	46	0.0	-52.03	359.21	7.36	-44.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC=N3)N=C2)C1	REAL300005638834	0	46	0.0	-53.69	357.46	8.95	-44.74
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005638835	0	46	0.0	-51.84	366.00	10.02	-41.82
CC1=CC(C)=NN1CCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638836	0	52	0.0	-55.65	396.98	8.79	-46.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=CC3=CC=CN=C32)C1	REAL300005638837	0	44	0.0	-58.18	338.92	7.75	-50.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(C)CCS(=O)(=O)N2)C1	REAL300005638838	0	48	0.0	-58.70	361.84	3.14	-55.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC3=CC(Cl)=CC=C32)C1	REAL300005638839	0	45	0.0	-55.67	362.64	8.83	-46.84
COC1=CC=CC(CC(C)CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638840	0	56	0.0	-52.80	415.58	10.23	-42.57
CC(C)C1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCO1	REAL300005638841	0	53	0.0	-45.99	366.51	8.62	-37.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2CCOC3)C1	REAL300005638842	0	48	0.0	-49.29	351.18	8.50	-40.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCC(C(F)(F)F)O2)C1	REAL300005638843	0	50	0.0	-47.85	371.19	9.19	-38.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC(C3CC3)O2)C1	REAL300005638844	0	51	0.0	-51.12	377.40	9.41	-41.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2CC[C@H](NC3=CN=CC=N3)CC2)C1	REAL300005638845	0	56	0.0	-75.52	412.90	7.36	-68.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2CC[C@H](NC3=NC=CC=N3)CC2)C1	REAL300005638846	0	56	0.0	-58.44	410.79	10.60	-47.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC[C@@H]3C[C@@H]3CC2)C1	REAL300005638847	0	50	0.0	-68.55	339.95	9.22	-59.33
CN1N=C(C(F)(F)F)C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C21	REAL300005638849	0	48	0.0	-52.49	385.45	8.53	-43.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CCC3=CC=CC=C3)CC2)C1	REAL300005638850	0	53	0.0	-47.00	388.15	11.27	-35.73
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638851	0	49	0.0	-54.56	378.98	6.43	-48.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCOC3=CC=CC=C32)C1	REAL300005638852	0	51	0.0	-51.37	365.43	8.41	-42.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CCCO2)C1	REAL300005638853	0	51	0.0	-54.62	376.32	9.27	-45.35
COC1=CC=C2NC=CC2=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638854	0	48	0.0	-54.70	364.84	7.91	-46.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCCC3)N=C2N)C1	REAL300005638855	0	53	0.0	-52.10	389.66	7.84	-44.26
CN1C=NC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)=N1	REAL300005638856	0	49	0.0	-60.35	384.04	10.02	-50.33
CC1=CC(C)=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638857	0	45	0.0	-54.65	343.31	8.23	-46.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CCCC3)N=CS2)C1	REAL300005638858	0	49	0.0	-50.01	370.20	8.93	-41.08
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)N2N=CN=C2N1C	REAL300005638859	0	52	0.0	-60.90	389.96	11.20	-49.70
CC1=CC=NC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638860	0	46	0.0	-55.23	352.07	8.18	-47.05
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638862	0	55	0.0	-65.15	410.12	9.92	-55.23
CN1C=CC(NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)=N1	REAL300005638863	0	52	0.0	-59.23	398.68	9.34	-49.89
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1=CN(C)N=C1	REAL300005638864	0	49	0.0	-61.84	377.51	6.36	-55.48
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1=NN(C)C=C1	REAL300005638865	0	49	0.0	-64.50	380.56	7.67	-56.83
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638866	0	49	0.0	-54.22	394.49	7.34	-46.88
CCOC1=NC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C2N1	REAL300005638867	0	50	0.0	-58.07	385.68	5.28	-52.79
CCC(CC)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638868	0	56	0.0	-50.91	408.61	10.13	-40.78
CC1=CC(F)=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005638869	0	46	0.0	-51.88	354.99	9.86	-42.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=COC=C2)C1	REAL300005638870	0	44	0.0	-56.96	347.27	6.00	-50.96
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=COC=C2)=N1	REAL300005638871	0	47	0.0	-56.08	371.78	7.34	-48.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2OC2CCCC2)C1	REAL300005638872	0	57	0.0	-52.77	424.56	11.20	-41.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2OC2CCOC2)C1	REAL300005638873	0	55	0.0	-53.07	414.83	8.65	-44.42
COCC(C)(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638874	0	49	0.0	-50.77	355.32	7.04	-43.73
CC1=CN2C=CN=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638875	0	46	0.0	-59.97	358.77	9.36	-50.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCS(=O)(=O)C3=CC=CC=C32)C1	REAL300005638876	0	50	0.0	-59.92	384.42	6.40	-53.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(O)(CCC(C)(C)C)C2)C1	REAL300005638877	0	59	0.0	-47.10	416.51	8.28	-38.82
CCOC1=NC=CC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638878	0	49	0.0	-53.74	369.24	6.89	-46.85
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638879	0	46	0.0	-59.07	372.10	9.53	-49.54
CNC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=NS1	REAL300005638880	0	44	0.0	-54.44	346.14	5.77	-48.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)C=C2)C1	REAL300005638881	0	51	0.0	-68.52	401.58	10.87	-57.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(F)=CC3=C2OCOC3)C1	REAL300005638882	0	49	0.0	-53.39	380.42	8.13	-45.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CCNS(C)(=O)=O)C=C2)C1	REAL300005638883	0	54	0.0	-58.75	427.99	5.55	-53.20
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638884	0	46	0.0	-60.68	363.64	2.21	-58.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300005638885	0	49	0.0	-59.33	393.47	4.37	-54.96
CC1=NC(COC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)=NO1	REAL300005638886	0	52	0.0	-74.90	407.24	6.67	-68.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=CC=C2)C1	REAL300005638887	0	47	0.0	-54.66	365.19	7.86	-46.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CS3)=C2)C1	REAL300005638888	0	43	0.0	-51.59	347.50	9.19	-42.40
COCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638889	0	53	0.0	-51.06	403.42	5.83	-45.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2C=C(S(N)(=O)=O)C=N2)C1	REAL300005638890	0	48	0.0	-61.80	389.29	1.77	-60.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CS(N)(=O)=O)C=C2)C1	REAL300005638891	0	48	0.0	-66.21	384.82	3.62	-62.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=C(S(N)(=O)=O)C=N2)C1	REAL300005638892	0	45	0.0	-60.54	367.16	1.17	-59.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300005638893	0	49	0.0	-59.48	393.68	3.79	-55.69
CC(C)CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005638894	0	48	0.0	-48.01	364.10	9.07	-38.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(N)(=O)=O)S2)C1	REAL300005638895	0	42	0.0	-61.36	351.20	1.88	-59.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(N3C=NC=N3)=C2)C1	REAL300005638896	0	45	0.0	-55.50	355.21	9.73	-45.77
CC1=NC(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CN1C	REAL300005638897	0	51	0.0	-63.78	408.16	3.47	-60.31
CC1=NOC(C(F)F)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638898	0	42	0.0	-52.75	328.55	7.75	-45.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3N=CNC3=N2)C1	REAL300005638899	0	42	0.0	-56.31	325.63	7.63	-48.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3N=CN=C3N2)C1	REAL300005638899	1	42	0.0	-60.61	325.58	6.74	-53.87
CC1=C(C)NC(=O)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005638900	0	45	0.0	-59.27	342.24	6.26	-53.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(C3=CC=CC=C3)C2)C1	REAL300005638901	0	52	0.0	-50.85	375.68	8.48	-42.37
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CC(=O)N1	REAL300005638902	0	43	0.0	-55.89	328.66	5.96	-49.93
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Cl)=C1	REAL300005638903	0	46	0.0	-45.87	360.68	10.54	-35.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=CC=NC=C3C=C2)C1	REAL300005638904	0	48	0.0	-54.39	371.54	9.40	-44.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=CNN=C3C=C2)C1	REAL300005638905	0	46	0.0	-57.78	356.79	7.64	-50.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(C(F)F)=C2)C1	REAL300005638906	0	46	0.0	-53.18	362.73	9.77	-43.41
CC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Cl	REAL300005638907	0	46	0.0	-46.02	358.00	10.46	-35.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NC=CN3C=C2)C1	REAL300005638908	0	43	0.0	-55.52	331.11	8.43	-47.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=NC=CN32)C1	REAL300005638909	0	43	0.0	-55.78	329.88	8.88	-46.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3N=NN=C3C=C2)C1	REAL300005638910	0	41	0.0	-62.02	321.18	6.69	-55.33
CC1=CN2C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C2C=C1	REAL300005638911	0	46	0.0	-58.72	349.24	8.78	-49.94
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C2C=CC=CN12	REAL300005638912	0	46	0.0	-59.78	351.84	9.84	-49.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=C3C=CC=CN32)C1	REAL300005638913	0	43	0.0	-54.48	324.11	9.77	-44.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCCC3=NO2)C1	REAL300005638914	0	46	0.0	-58.29	343.01	7.90	-50.39
CC1=CC=C2OC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2=C1	REAL300005638915	0	51	0.0	-70.04	370.05	10.80	-59.24
COC1=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N2C=C1	REAL300005638916	0	47	0.0	-58.68	358.43	7.46	-51.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CN=CN=C2)C1	REAL300005638917	0	44	0.0	-54.63	341.57	7.73	-46.90
COC1=COC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC1=O	REAL300005638918	0	43	0.0	-59.35	337.45	6.25	-53.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3C=NC=C3C=C2)C1	REAL300005638919	1	43	0.0	-52.04	326.48	9.80	-42.24
CCC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638920	0	45	0.0	-52.52	343.45	7.54	-44.98
CC1=CSC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005638921	0	45	0.0	-53.56	358.52	7.44	-46.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=NC=C3N=C2)C1	REAL300005638922	0	44	0.0	-55.09	341.98	6.52	-48.57
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1C	REAL300005638923	0	45	0.0	-49.50	332.63	8.61	-40.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC(F)=C3N=C2)C1	REAL300005638924	0	45	0.0	-61.82	353.23	8.26	-53.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CCCC3)C=C2)C1	REAL300005638925	0	53	0.0	-51.59	389.41	11.09	-40.50
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)(F)F)=NN1	REAL300005638926	0	43	0.0	-49.39	337.73	6.54	-42.85
CC1=NNC(C(F)(F)F)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638926	1	43	0.0	-52.07	346.33	6.63	-45.44
CCOC1=NOC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638927	0	43	0.0	-56.06	336.04	4.47	-51.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(=O)C3=CC=CN32)C1	REAL300005638928	0	47	0.0	-51.98	350.73	8.77	-43.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2NC(=O)C=C3)C1	REAL300005638929	0	46	0.0	-58.38	356.23	7.17	-51.21
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005638930	0	51	0.0	-60.05	390.89	4.53	-55.52
COCCOC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638931	0	50	0.0	-58.15	385.58	5.59	-52.56
CNS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638932	0	47	0.0	-57.58	371.77	2.57	-55.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(N)(=O)=O)N=C2)C1	REAL300005638933	0	44	0.0	-57.83	349.34	1.35	-56.48
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005638934	0	50	0.0	-56.66	390.76	4.39	-52.27
CN1C=NC(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638935	0	48	0.0	-63.56	388.65	3.67	-59.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300005638936	0	47	0.0	-52.57	392.11	8.46	-44.11
CCC(C)(C)C1CCC2(CC2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005638937	0	65	0.0	-50.71	439.81	12.08	-38.63
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C1CC1	REAL300005638938	0	51	0.0	-52.71	382.79	9.33	-43.38
CC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Cl)=C1	REAL300005638939	0	53	0.0	-53.02	419.34	10.55	-42.47
CSCC1=NOC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005638940	0	48	0.0	-56.04	388.22	6.38	-49.66
CCOC1=NC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638941	0	49	0.0	-54.61	375.61	6.78	-47.83
CCCOC1=NC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638942	0	52	0.0	-54.40	397.10	7.59	-46.81
COCCC(C)(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638943	0	49	0.0	-50.57	348.49	6.18	-44.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CS3)CCCCC2)C1	REAL300005638944	0	56	0.0	-49.94	402.19	10.87	-39.07
COC1=CC(OC2CC2)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638945	0	52	0.0	-49.43	391.41	9.05	-40.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=CC=C3)C=N2)C1	REAL300005638946	0	50	0.0	-55.05	389.34	9.81	-45.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC(C)(C)C)C=N2)C1	REAL300005638947	0	52	0.0	-53.06	380.75	8.01	-45.05
CC1=NC=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005638948	0	47	0.0	-55.59	362.94	7.72	-47.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN3C(=CN=C3C3=CC=CC=C3)C2)C1	REAL300005638949	0	57	0.0	-53.49	419.63	11.57	-41.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCC2=NNN=C2)C1	REAL300005638950	0	48	0.0	-54.78	368.72	6.36	-48.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCC2=CNN=N2)C1	REAL300005638950	1	48	0.0	-58.84	368.82	6.43	-52.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300005638951	0	48	0.0	-53.14	383.25	9.26	-43.88
CCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N=N1	REAL300005638953	0	47	0.0	-57.21	358.51	7.05	-50.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3(C)COC3)N=N2)C1	REAL300005638954	0	50	0.0	-63.50	379.01	5.53	-57.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)N=CO2)C1	REAL300005638955	0	39	0.0	-54.72	316.61	3.96	-50.76
CC(C)N1C=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005638956	0	46	0.0	-56.27	349.37	9.31	-46.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COCCN2CC(F)F)C1	REAL300005638958	0	49	0.0	-51.33	356.45	4.59	-46.74
COC1=CC=CC(OC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=C2)=C1	REAL300005638959	0	54	0.0	-56.21	418.86	9.11	-47.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(N3C=CN=N3)=C2)C1	REAL300005638960	0	45	0.0	-61.76	352.67	6.01	-55.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=C(Cl)C=C2)C1	REAL300005638961	0	47	0.0	-72.76	381.74	8.35	-64.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(Br)C(C)(C)C)C1	REAL300005638962	0	45	0.0	-50.67	338.95	8.02	-42.65
CC1CN(C2=CC=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)CC(C)O1	REAL300005638963	0	58	0.0	-58.62	419.87	7.84	-50.78
CC1=CC(C)=NN1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638964	0	49	0.0	-56.18	375.47	7.99	-48.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)NC2=O)C1	REAL300005638965	0	43	0.0	-55.26	347.11	6.38	-48.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNS(=O)(=O)C2=CC=CN=C2)C1	REAL300005638966	0	47	0.0	-59.10	379.62	2.80	-56.30
CC1=CC=C(C(O)(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(F)(F)F)O1	REAL300005638967	0	50	0.0	-54.35	395.76	7.41	-46.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(N2)SC=C3)C1	REAL300005638968	0	41	0.0	-48.03	320.86	7.95	-40.08
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=NN=CN1	REAL300005638969	0	45	0.0	-60.54	355.62	10.48	-50.06
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=NNC=N1	REAL300005638969	1	45	0.0	-65.10	354.94	10.32	-54.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=CN=C3)N=C2)C1	REAL300005638970	0	46	0.0	-55.36	351.54	9.95	-45.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)C3=CC=CC=C3N=C2)C1	REAL300005638971	0	48	0.0	-56.31	377.74	8.97	-47.34
CC1=NOC2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C12	REAL300005638972	0	44	0.0	-51.40	337.94	5.83	-45.57
CCCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638973	0	57	0.0	-52.36	421.40	10.92	-41.44
CCN(C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1)C(C)C	REAL300005638974	0	57	0.0	-51.61	408.80	10.41	-41.20
CCOC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1O	REAL300005638975	0	52	0.0	-54.83	401.38	7.51	-47.32
CCCN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638976	0	54	0.0	-68.18	399.34	9.98	-58.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCN2CC2=CC=C(F)C=C2)C1	REAL300005638977	0	58	0.0	-51.00	426.20	9.54	-41.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2CC2=CC=C(F)C=C2)C1	REAL300005638978	0	55	0.0	-50.43	412.32	8.97	-41.46
CCCS(=O)(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638979	0	54	0.0	-69.85	421.32	6.28	-63.57
CC(C)C1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCCC2)C=C1	REAL300005638980	0	62	0.0	-63.65	431.68	12.93	-50.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CN3C=NC=N3)=C2)C1	REAL300005638981	0	49	0.0	-58.21	383.11	10.94	-47.27
CC1=NOC(C2CC2)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638982	0	46	0.0	-57.38	361.53	8.62	-48.76
CN1N=NC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C21	REAL300005638983	0	44	0.0	-51.53	337.49	5.89	-45.64
C#CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638984	0	42	0.0	-67.81	331.96	9.07	-58.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3=NNC=N3)=C2)C1	REAL300005638985	0	46	0.0	-58.87	360.85	8.77	-50.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3=NN=CN3)=C2)C1	REAL300005638985	1	46	0.0	-65.40	359.35	9.09	-56.31
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)C=C1Cl	REAL300005638986	0	46	0.0	-51.91	359.71	9.59	-42.32
CN1C=NC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C21	REAL300005638987	0	45	0.0	-54.27	342.10	8.78	-45.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(NC3CC3)=N2)C1	REAL300005638988	0	45	0.0	-47.97	352.66	7.96	-40.01
CC1=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2N1C	REAL300005638989	0	49	0.0	-59.60	373.09	9.01	-50.59
CC1=NN(C(C)CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005638990	0	49	0.0	-55.59	369.44	7.97	-47.62
CCNC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005638991	0	44	0.0	-47.79	343.13	7.14	-40.65
CC1=CC=C2SN=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005638992	0	45	0.0	-51.28	348.87	9.61	-41.67
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(S(N)(=O)=O)O1	REAL300005638993	0	45	0.0	-57.68	364.52	1.80	-55.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C)(C)CC2=CC=C(Cl)C=C2)C1	REAL300005638994	0	55	0.0	-50.56	413.02	11.75	-38.81
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005638995	0	57	0.0	-48.68	420.32	12.87	-35.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCC2=CC=CC(Cl)=C2)C1	REAL300005638996	0	47	0.0	-53.35	381.74	9.85	-43.50
CC1=C(Br)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)N1	REAL300005638997	0	43	0.0	-57.55	348.22	6.00	-51.55
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)=C2	REAL300005638998	0	46	0.0	-50.36	373.26	8.27	-42.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(C3CCOCC3)=N2)C1	REAL300005638999	0	50	0.0	-54.56	378.29	5.35	-49.21
CCC1=NC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)=NN1	REAL300005639000	0	52	0.0	-58.23	404.45	9.28	-48.95
COCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Cl)=C1	REAL300005639001	0	51	0.0	-48.65	401.34	8.45	-40.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC=C3)CCOCC2)C1	REAL300005639002	0	57	0.0	-51.57	400.79	9.28	-42.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCS(=O)(=O)C2)C1	REAL300005639003	0	49	0.0	-59.51	369.18	5.24	-54.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CCOCC3)N=N2)C1	REAL300005639004	0	50	0.0	-60.31	376.74	5.67	-54.64
CC(C)C1CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCO1	REAL300005639005	0	56	0.0	-50.62	393.83	8.72	-41.90
CCC1CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCO1	REAL300005639006	0	53	0.0	-50.90	376.44	8.14	-42.76
CCC1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCO1	REAL300005639007	0	50	0.0	-45.73	358.65	8.06	-37.67
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC=C2)=NO1	REAL300005639008	0	52	0.0	-60.54	407.67	10.64	-49.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CC3)N=C2N)C1	REAL300005639009	0	47	0.0	-53.68	356.04	7.00	-46.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCC3=CO2)C1	REAL300005639010	0	44	0.0	-54.77	332.67	8.18	-46.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCOCC3=CO2)C1	REAL300005639011	0	45	0.0	-55.30	339.10	6.31	-48.99
C=CC(C)(CCOC)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639012	0	50	0.0	-51.38	351.98	7.05	-44.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(=O)C3=CC=CC(O)=C3)C=C2)C1	REAL300005639013	0	53	0.0	-54.64	413.37	8.31	-46.33
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CN(C)N=C1	REAL300005639014	0	47	0.0	-50.07	360.62	6.45	-43.62
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(NCC(F)(F)F)=N1	REAL300005639015	0	50	0.0	-51.54	392.89	8.18	-43.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)S(=O)(=O)C2CC2)C1	REAL300005639016	0	49	0.0	-52.05	361.19	5.85	-46.20
CN1C=C(OC2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639017	0	51	0.0	-50.19	388.18	9.80	-40.39
CN1N=CC2=C1N=C(CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)NC2=O	REAL300005639018	0	51	0.0	-59.32	399.74	6.94	-52.38
COC1=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1O	REAL300005639019	0	48	0.0	-54.98	370.79	6.05	-48.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(O)C(F)=C2)C1	REAL300005639020	0	44	0.0	-54.29	347.78	6.15	-48.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2CCCCC2)C1	REAL300005639021	0	50	0.0	-51.94	349.57	7.00	-44.94
CC1CCC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005639022	0	52	0.0	-49.71	371.21	9.82	-39.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=NC=C3)=C2)C1	REAL300005639023	0	45	0.0	-57.70	356.10	7.76	-49.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(O)=C2)C1	REAL300005639024	0	44	0.0	-53.34	341.56	6.07	-47.27
COC1=CC=CC=C1C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005639025	0	50	0.0	-60.01	392.05	8.97	-51.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)CCC2=CC=CC=C2)C1	REAL300005639026	0	50	0.0	-52.83	378.56	8.17	-44.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OC(F)(F)OC3=C2)C1	REAL300005639027	0	43	0.0	-48.50	340.18	7.55	-40.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(Cl)C=C3)CCCCC2)C1	REAL300005639028	0	56	0.0	-41.87	393.76	11.36	-30.51
CCCOC1=CC=CN=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639029	0	49	0.0	-54.98	370.50	9.23	-45.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(C(C)(C)C)C=C3)CCC2)C1	REAL300005639030	0	62	0.0	-50.15	441.60	12.40	-37.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3=CC=CC=N3)S2)C1	REAL300005639031	0	45	0.0	-57.50	365.93	7.08	-50.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=CN=C3)N=N2)C1	REAL300005639032	0	45	0.0	-63.20	353.04	8.97	-54.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC3=CC=NC=C3)C=C2)C1	REAL300005639033	1	51	0.0	-54.32	389.91	8.45	-45.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC(F)=C3)CCCCC2)C1	REAL300005639034	0	59	0.0	-50.26	416.67	11.70	-38.56
CCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)(F)F)=N1	REAL300005639035	0	46	0.0	-55.17	367.68	7.55	-47.62
CN1C=CN=C1CNC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639036	0	55	0.0	-72.88	421.22	8.82	-64.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=C(N3CCOCC3)C(F)=C2)C1	REAL300005639037	0	53	0.0	-54.05	401.38	6.98	-47.07
CCOCCS(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639038	0	51	0.0	-54.95	398.34	2.81	-52.14
CC1=CN2C=CN=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=N1	REAL300005639039	0	45	0.0	-59.39	348.71	8.29	-51.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(N3CCOCC3)=C2)C1	REAL300005639040	0	52	0.0	-54.50	384.32	4.89	-49.61
COC1=CC=CC=C1N1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005639041	0	54	0.0	-58.16	407.74	9.56	-48.60
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C2=CC=CC=C2)S1	REAL300005639042	0	49	0.0	-57.46	395.31	9.63	-47.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=CC=C3)SC=N2)C1	REAL300005639043	0	46	0.0	-57.18	372.72	8.94	-48.24
CN(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NC2=CC=CC=C21	REAL300005639044	0	53	0.0	-55.94	400.59	8.94	-47.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3CCOC3)C=C2)C1	REAL300005639045	0	52	0.0	-55.70	391.72	7.58	-48.12
CC1=C(Br)C=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639046	0	46	0.0	-51.00	365.54	9.95	-41.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(O)=C2OC(F)(F)F)C1	REAL300005639047	0	45	0.0	-52.03	363.64	5.89	-46.14
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)NC2=CC=CC=C21	REAL300005639048	0	49	0.0	-60.31	377.33	7.53	-52.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CC=CN3C(C(F)(F)F)=N2)C1	REAL300005639049	0	46	0.0	-62.00	369.91	10.08	-51.92
CC1=NOC(C)=C1C(C)(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639050	0	51	0.0	-59.02	360.94	7.94	-51.08
CCCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CN1	REAL300005639051	0	47	0.0	-48.59	346.31	8.42	-40.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=CC=CC=C3N=C2C2CC2)C1	REAL300005639052	0	51	0.0	-60.33	396.02	8.73	-51.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CN=C3)CC2)C1	REAL300005639053	0	46	0.0	-55.87	350.82	8.00	-47.87
CN(C)C1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639054	0	54	0.0	-52.87	403.07	10.11	-42.76
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(Br)C(=O)N1	REAL300005639055	0	43	0.0	-60.47	352.61	6.17	-54.30
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N(C)CC(F)(F)F	REAL300005639056	0	47	0.0	-51.58	352.54	5.86	-45.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(N3CCOCC3)CC2)C1	REAL300005639058	1	59	0.0	-47.07	399.78	6.84	-40.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC3=NNN=C32)C1	REAL300005639059	0	42	0.0	-55.10	334.46	5.35	-49.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NN=NC3=CC(F)=C2)C1	REAL300005639059	1	42	0.0	-55.28	335.53	5.19	-50.09
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639060	0	53	0.0	-52.66	399.78	9.12	-43.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CN=CN2CC2=CC=CC=C2)C1	REAL300005639061	0	53	0.0	-55.70	405.68	11.63	-44.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(CO)C2=CC=CC=C2)C1	REAL300005639062	0	47	0.0	-53.28	356.97	5.96	-47.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N)C(OC(F)(F)F)=C2)C1	REAL300005639063	0	46	0.0	-52.41	365.56	5.68	-46.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300005639064	0	41	0.0	-54.34	322.94	5.14	-49.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=C(Cl)C=C2)C1	REAL300005639065	0	44	0.0	-51.07	349.45	7.13	-43.94
CSCCC(O)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639066	0	44	0.0	-52.62	341.88	5.60	-47.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(F)C3=CC=CC=C23)C1	REAL300005639067	0	46	0.0	-54.93	356.89	10.22	-44.71
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Cl)=C1	REAL300005639068	0	43	0.0	-45.32	333.70	9.53	-35.79
CC(C)CC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639069	0	58	0.0	-73.13	425.82	12.00	-61.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CC(O)=CC=C32)C1	REAL300005639070	0	47	0.0	-54.80	361.93	7.33	-47.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCN2C=NC3=CC=CC=C32)C1	REAL300005639071	0	52	0.0	-57.34	400.78	11.31	-46.03
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(OC)=C1O	REAL300005639072	0	49	0.0	-68.88	369.52	4.76	-64.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2NCC2=CC=CC=C2)C1	REAL300005639073	0	55	0.0	-49.46	415.04	11.25	-38.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC=CC=C3C2)C1	REAL300005639074	0	47	0.0	-51.23	349.00	9.81	-41.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2N2CCCCC2)C1	REAL300005639075	0	54	0.0	-53.62	399.43	8.92	-44.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2O)C1	REAL300005639076	0	44	0.0	-47.06	347.24	7.54	-39.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(C(F)(F)F)CC2)C1	REAL300005639077	0	49	0.0	-50.90	368.30	9.26	-41.64
CC(NS(C)(=O)=O)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639078	0	44	0.0	-58.21	343.46	1.83	-56.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H](O)C2=CC=CC=C2Cl)C1	REAL300005639079	0	44	0.0	-53.74	342.08	6.40	-47.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(C(C)(C)C)C=C2)C1	REAL300005639080	0	55	0.0	-51.43	406.74	11.25	-40.18
C[C@@H](OCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639081	0	50	0.0	-52.72	381.45	9.81	-42.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=C(N)C(Cl)=C2)C1	REAL300005639082	0	42	0.0	-47.11	343.33	7.44	-39.67
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C(F)(F)F)O1	REAL300005639083	0	43	0.0	-52.53	346.88	7.97	-44.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC2=CC=CC(C(F)(F)F)=C2)C1	REAL300005639084	0	48	0.0	-51.32	382.47	8.19	-43.13
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639085	0	48	0.0	-60.94	366.55	7.03	-53.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(F)(F)F)=NN2)C1	REAL300005639086	0	40	0.0	-53.20	325.43	5.73	-47.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C(F)(F)F)=C2)C1	REAL300005639086	1	40	0.0	-48.22	320.64	6.41	-41.81
CC1=CC=CN2C=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=C12	REAL300005639087	0	49	0.0	-58.20	370.40	10.33	-47.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CN3C=C(Cl)C=C(Cl)C3=N2)C1	REAL300005639088	0	46	0.0	-55.68	390.13	10.50	-45.18
CC1=NC=CN1CCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639089	0	49	0.0	-55.72	373.69	9.08	-46.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCN2CCOCC2)C1	REAL300005639090	0	55	0.0	-51.87	401.86	5.99	-45.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)N2CCOCC2)C1	REAL300005639091	0	52	0.0	-69.11	360.26	6.38	-62.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3COCC(C2)C3=O)C1	REAL300005639093	0	50	0.0	-74.44	356.28	7.92	-66.52
CCC(CC)(CO)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639094	0	49	0.0	-69.40	340.21	4.31	-65.09
CSCC(C)(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639095	0	46	0.0	-67.81	339.22	7.61	-60.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCS2)C1	REAL300005639096	0	44	0.0	-51.11	332.53	8.22	-42.89
CCC(C)(C)C(O)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639097	0	49	0.0	-50.54	339.13	5.93	-44.61
CSC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC1	REAL300005639098	0	44	0.0	-52.45	335.61	7.92	-44.53
COC(CC(C)C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639099	0	49	0.0	-50.52	358.58	7.91	-42.61
C#CC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639100	0	41	0.0	-54.68	327.83	7.32	-47.36
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC1=CC=NC=C1	REAL300005639101	0	53	0.0	-52.35	408.78	9.71	-42.64
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1C	REAL300005639102	0	50	0.0	-52.49	378.47	10.78	-41.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(O)CC2=CC=CC=C2)C1	REAL300005639103	0	50	0.0	-54.32	370.58	6.99	-47.33
CC(OC1=CC=CN=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639104	0	46	0.0	-52.90	347.83	7.41	-45.49
CCC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=CC=C1	REAL300005639105	0	52	0.0	-60.45	400.50	10.54	-49.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN(CC2=CC=CN=C2)C2=CC=CC=C2)C1	REAL300005639106	0	57	0.0	-54.76	433.09	11.08	-43.68
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC=C2)=N1	REAL300005639107	0	50	0.0	-73.22	387.87	9.14	-64.08
COCCCC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639108	0	49	0.0	-51.76	363.38	6.95	-44.81
CNS(=O)(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005639109	0	53	0.0	-87.24	401.34	3.37	-83.87
COCCCOCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639110	0	47	0.0	-53.29	360.27	6.16	-47.13
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N2)=C1	REAL300005639111	0	54	0.0	-61.98	420.24	8.29	-53.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300005639112	0	49	0.0	-53.34	391.26	10.06	-43.28
CC1=CC=C(C2=CN=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)C=C1	REAL300005639113	0	52	0.0	-54.09	395.93	10.21	-43.88
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC=N2)=NO1	REAL300005639114	0	48	0.0	-58.14	378.02	8.80	-49.34
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CN=C2)=NO1	REAL300005639115	0	48	0.0	-56.11	375.41	8.63	-47.48
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=NC=C2)=NO1	REAL300005639116	0	48	0.0	-58.98	378.76	8.34	-50.64
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1C=CC=N1	REAL300005639117	0	46	0.0	-55.10	347.49	7.38	-47.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(C3CCC3)=N2)C1	REAL300005639118	0	46	0.0	-49.26	346.06	7.06	-42.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(O)CCSC2)C1	REAL300005639119	0	42	0.0	-52.95	311.53	4.92	-48.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(CN3C=NN=N3)CCCCC2)C1	REAL300005639120	0	57	0.0	-63.06	402.96	9.83	-53.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=CC=C2OC2=CC=CC=C2)C1	REAL300005639121	0	50	0.0	-70.93	386.60	11.01	-59.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=C(Cl)C=C2F)C1	REAL300005639122	0	44	0.0	-52.76	344.71	7.17	-45.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300005639123	0	44	0.0	-51.15	366.45	7.65	-43.50
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1N1CCOCC1	REAL300005639124	0	56	0.0	-52.04	413.00	8.09	-43.95
CN1C=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)O2)C=N1	REAL300005639125	0	47	0.0	-50.00	366.93	8.32	-41.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(CN3C=CC=N3)=C2)C1	REAL300005639128	0	46	0.0	-60.31	365.25	7.58	-52.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN(CC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300005639129	0	58	0.0	-52.40	438.07	12.86	-39.54
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639130	0	46	0.0	-54.26	366.91	7.59	-46.67
COC1=CC=CC(C(C)CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639131	0	59	0.0	-52.94	438.70	10.93	-42.01
CC1CC2=C(NN=C2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005639132	0	50	0.0	-53.02	370.98	7.48	-45.54
CC1CC2=CNN=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005639132	1	50	0.0	-68.93	370.72	7.51	-61.42
CC1=NOC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2)=C1	REAL300005639133	0	46	0.0	-59.14	357.50	8.24	-50.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CNC(=O)C=C2)C1	REAL300005639134	0	46	0.0	-60.44	356.53	6.62	-53.82
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1	REAL300005639135	0	46	0.0	-49.67	348.08	7.11	-42.56
CN1N=CC2=C1CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC2	REAL300005639136	0	50	0.0	-53.86	365.90	8.20	-45.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(O)C=C2)C1	REAL300005639137	0	47	0.0	-53.95	362.96	6.88	-47.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=NC=CC=C3C=C2)C1	REAL300005639138	0	44	0.0	-60.90	335.51	8.67	-52.23
CCS(=O)(=O)NC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639139	0	47	0.0	-58.55	363.65	2.72	-55.83
CC1=NN(C)C2=NC(C)=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C(C)=C12	REAL300005639140	0	57	0.0	-57.72	425.23	9.51	-48.21
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639141	0	55	0.0	-58.20	423.92	10.71	-47.49
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CC=CC=N1	REAL300005639142	0	53	0.0	-58.97	404.55	10.88	-48.09
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CC=CN=C1	REAL300005639143	0	53	0.0	-54.64	407.71	10.16	-44.48
CCS(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639144	0	44	0.0	-55.17	342.81	2.77	-52.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNS(C)(=O)=O)C1	REAL300005639145	0	44	0.0	-59.73	349.06	2.07	-57.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC(O)C2=CC=C(C(C)(C)C)C=C2)C1	REAL300005639146	0	62	0.0	-53.17	456.93	9.70	-43.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(CC3=CC=C(F)C=C3)=N2)C1	REAL300005639147	0	49	0.0	-50.87	392.17	10.75	-40.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300005639148	0	43	0.0	-53.18	340.71	8.88	-44.30
CC1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=N2)CC1	REAL300005639149	0	57	0.0	-50.90	410.50	9.57	-41.33
COC1=CC=C(CN2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=N2)C=C1	REAL300005639150	0	54	0.0	-54.98	413.19	9.31	-45.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCC3)N=C2)C1	REAL300005639151	0	51	0.0	-51.49	373.05	8.23	-43.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C1	REAL300005639152	0	53	0.0	-56.47	412.69	12.56	-43.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C1	REAL300005639153	0	52	0.0	-55.58	386.28	3.75	-51.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCC3)N=N2)C1	REAL300005639154	0	50	0.0	-60.31	374.28	7.06	-53.25
CN1CCN(C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2)CC1	REAL300005639155	0	60	0.0	-47.03	428.99	7.73	-39.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CNC3=N2)C1	REAL300005639157	0	43	0.0	-63.62	332.37	8.04	-55.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(F)F)=NN2)C1	REAL300005639158	0	40	0.0	-53.51	319.59	5.58	-47.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C(F)F)=C2)C1	REAL300005639158	1	40	0.0	-50.30	314.30	6.28	-44.02
CN1C=NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CN=C21	REAL300005639159	0	45	0.0	-60.20	349.58	8.43	-51.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(N3C=CC=N3)=C2)C1	REAL300005639161	0	46	0.0	-56.00	360.40	8.39	-47.61
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N(C)CC1=CC=CC=C1	REAL300005639162	1	54	0.0	-50.99	390.57	8.08	-42.91
CC(C)CC1=CC=C([C@H](C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639163	0	58	0.0	-49.90	425.72	11.90	-38.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(CC(F)(F)F)CC2)C1	REAL300005639164	0	51	0.0	-51.84	383.41	7.15	-44.69
CCNC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639165	0	48	0.0	-53.98	376.14	8.22	-45.76
CNC1=CC(Cl)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639166	0	45	0.0	-49.12	350.03	7.95	-41.17
CC(C)CCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005639167	0	51	0.0	-61.49	386.13	7.73	-53.76
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1CC	REAL300005639168	0	48	0.0	-61.79	363.74	6.91	-54.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=CO3)S2)C1	REAL300005639169	0	40	0.0	-49.81	316.66	7.67	-42.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2CCN(C3=CC=CC=N3)CC2)C1	REAL300005639170	0	56	0.0	-53.52	411.75	6.60	-46.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC(C3=CC=CC=C3)=N2)C1	REAL300005639171	0	47	0.0	-54.84	359.29	9.70	-45.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3=CC=CC=C3)N2)C1	REAL300005639171	1	47	0.0	-53.61	364.32	8.90	-44.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=CC=C2Cl)C1	REAL300005639173	0	47	0.0	-55.87	369.01	9.08	-46.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=CC(Cl)=C2)C1	REAL300005639174	0	47	0.0	-47.55	374.53	8.86	-38.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3Br)CC2)C1	REAL300005639175	0	47	0.0	-43.29	365.52	10.82	-32.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3=CC=CN=C3)S2)C1	REAL300005639176	0	45	0.0	-55.21	364.58	6.99	-48.22
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300005639177	0	49	0.0	-54.73	397.21	10.92	-43.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=C3CCCCC3=C2)C1	REAL300005639178	0	60	0.0	-52.71	444.63	11.81	-40.90
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=C(Cl)C=CC=C12	REAL300005639179	0	47	0.0	-50.59	367.77	9.99	-40.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=CC=C3)N(CCO)N=C2)C1	REAL300005639180	0	54	0.0	-56.99	417.78	6.47	-50.52
CCC(O)(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(Cl)=C1	REAL300005639181	0	50	0.0	-53.98	371.12	7.96	-46.02
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC(Cl)=CC=C2N1	REAL300005639182	0	47	0.0	-55.99	380.01	9.23	-46.76
CCCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1CCCC1	REAL300005639183	0	59	0.0	-53.35	430.52	11.09	-42.26
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1CCCC1	REAL300005639184	0	56	0.0	-56.22	411.88	9.73	-46.49
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1CCCCC1	REAL300005639185	0	56	0.0	-56.45	410.82	9.57	-46.88
CCCCN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005639186	0	52	0.0	-56.02	390.50	8.53	-47.49
CCCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=N1	REAL300005639187	0	52	0.0	-53.05	392.07	8.62	-44.43
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C(CC)CC	REAL300005639188	0	58	0.0	-51.82	422.06	10.38	-41.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NS(C)(=O)=O)N=C2)C1	REAL300005639189	1	47	0.0	-56.56	368.14	4.55	-52.01
COC1=CC=CN=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639190	0	46	0.0	-55.54	353.89	6.44	-49.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3(O)CCOCC3)OC=C2)C1	REAL300005639191	0	52	0.0	-55.22	384.49	5.20	-50.02
CN(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CN=CN1C	REAL300005639192	0	51	0.0	-52.57	370.13	7.69	-44.88
CN1N=NC2=C1CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC2	REAL300005639193	0	49	0.0	-68.70	360.34	6.85	-61.85
CN1C=C2C(=N1)CCCC2C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639194	0	50	0.0	-51.70	366.13	8.66	-43.04
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639195	0	47	0.0	-50.71	374.15	9.79	-40.92
CN1C=C(C(O)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639196	0	44	0.0	-50.43	337.29	4.28	-46.15
CN(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639197	1	50	0.0	-50.84	370.87	6.22	-44.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C2(C)CC2)C1	REAL300005639198	0	50	0.0	-52.11	370.38	10.26	-41.85
CCC(C)(C)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639199	0	55	0.0	-47.86	380.53	11.70	-36.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC3=CC=CN=C3)C=C2)C1	REAL300005639200	0	53	0.0	-74.70	410.76	9.39	-65.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OCC2=CC=NC=C2)C1	REAL300005639201	0	53	0.0	-49.99	407.23	10.27	-39.72
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1CC1=CC=CC=N1	REAL300005639202	0	56	0.0	-57.37	425.71	10.78	-46.59
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC=N1	REAL300005639203	0	49	0.0	-58.19	378.30	9.17	-49.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC=NC2=O)C1	REAL300005639204	0	42	0.0	-66.05	329.79	5.36	-60.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CN3CCOCC3)=C2)C1	REAL300005639205	0	56	0.0	-52.80	414.15	6.97	-45.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)N2CCC(O)CC2)C1	REAL300005639207	0	59	0.0	-51.28	427.54	6.51	-44.77
CCN(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005639208	1	54	0.0	-51.39	391.30	8.35	-43.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3=NNC=N3)=N2)C1	REAL300005639209	0	45	0.0	-59.73	363.32	7.17	-52.56
CCN1N=C(C)C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005639210	0	52	0.0	-55.51	394.23	8.58	-46.93
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300005639211	0	52	0.0	-80.86	405.37	6.84	-74.02
CCN(CC)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005639212	1	57	0.0	-51.06	409.76	9.12	-41.94
CC(C)COC1=NC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639213	0	52	0.0	-54.70	397.01	7.33	-47.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3CCCNC3=N2)C1	REAL300005639214	0	45	0.0	-58.35	340.13	7.67	-50.68
CSCCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639215	0	46	0.0	-51.77	358.26	8.73	-43.04
CSC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005639216	0	47	0.0	-51.78	369.23	9.90	-41.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=C(Cl)C=N2)C1	REAL300005639217	0	40	0.0	-53.65	327.79	6.81	-46.84
COC1=CC=CC(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2)=C1	REAL300005639218	0	51	0.0	-51.93	384.14	9.08	-42.85
CN(C)S(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639219	0	46	0.0	-52.73	355.24	2.32	-50.41
CC(C)C1=NC=CN1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639220	0	49	0.0	-54.52	373.28	8.78	-45.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(C3CC3)=N2)C1	REAL300005639221	0	43	0.0	-50.94	329.17	6.57	-44.37
CNC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005639222	0	41	0.0	-48.11	321.64	6.32	-41.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CC3)NC2=O)C1	REAL300005639223	0	46	0.0	-59.09	361.46	6.45	-52.64
CN(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(Cl)C=C1	REAL300005639224	0	51	0.0	-50.07	393.60	8.28	-41.79
CCN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C1=CC=CC=C1	REAL300005639225	0	53	0.0	-54.45	402.72	10.38	-44.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(COC(C)(C)C)=C2)C1	REAL300005639226	0	52	0.0	-57.63	392.97	7.78	-49.85
CC=CCOC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639227	0	54	0.0	-53.25	416.51	10.59	-42.66
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1CCC(C)C	REAL300005639228	0	55	0.0	-55.77	408.06	9.04	-46.73
CC(C)CC1=CC=CC(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639229	0	58	0.0	-51.45	427.10	11.94	-39.51
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639230	0	50	0.0	-51.02	386.22	10.24	-40.78
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC(F)F)=C1	REAL300005639231	0	48	0.0	-50.36	365.86	8.17	-42.19
COCCOC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639232	0	54	0.0	-55.60	415.52	8.42	-47.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300005639233	0	44	0.0	-54.89	350.70	7.54	-47.35
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=C(F)C=C1	REAL300005639234	0	50	0.0	-51.60	385.74	10.71	-40.89
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=CC=C1	REAL300005639235	0	56	0.0	-52.49	413.92	11.67	-40.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CCC3=CC=CC=C3)N=N2)C1	REAL300005639236	0	52	0.0	-61.66	406.97	9.47	-52.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=C3CCCC3=C2)C1	REAL300005639238	0	57	0.0	-53.00	427.43	11.23	-41.77
CC1=NN(CC(F)F)C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639239	0	49	0.0	-53.29	381.77	8.56	-44.73
CN1C=C(CNC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)C=N1	REAL300005639240	0	55	0.0	-55.04	424.04	8.30	-46.74
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639241	0	55	0.0	-55.08	412.94	9.19	-45.89
CCSCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005639242	0	46	0.0	-57.80	369.34	8.71	-49.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC=C2N2C=CC=N2)C1	REAL300005639243	0	47	0.0	-57.62	367.26	9.59	-48.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C(C)(C)C)C1	REAL300005639245	0	49	0.0	-50.15	353.82	7.25	-42.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCN2C=NC3=C(N)N=CN=C32)C1	REAL300005639246	0	55	0.0	-59.72	427.02	9.87	-49.85
CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1CCOC(CC)C1	REAL300005639247	0	58	0.0	-51.45	410.47	6.77	-44.68
CCN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC1=CC=CC=C1Cl	REAL300005639248	0	54	0.0	-51.90	411.33	9.11	-42.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCN(CC(F)(F)F)CC2)C1	REAL300005639249	0	54	0.0	-52.31	402.24	8.01	-44.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN(CC(F)F)C2)C1	REAL300005639251	0	51	0.0	-58.03	371.64	7.05	-50.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=C2NN=N3)C1	REAL300005639252	0	46	0.0	-51.04	338.37	5.99	-45.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C2=NC=CN2)C2=CC=CC=C2)C1	REAL300005639253	0	53	0.0	-54.20	399.70	10.13	-44.07
CC1=NC=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639254	0	45	0.0	-52.94	342.52	7.61	-45.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=CC(O)=CC=C23)C1	REAL300005639255	0	44	0.0	-55.67	345.53	5.55	-50.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)CC(C)(C)C)C1	REAL300005639256	0	54	0.0	-73.62	356.98	8.46	-65.16
CC1CN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=N2)CC(C)O1	REAL300005639257	0	58	0.0	-52.77	423.33	8.00	-44.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C3=CC=CC=C3)=C2)C1	REAL300005639258	0	49	0.0	-54.43	374.93	9.55	-44.88
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=NC2=CC=CC=C2S1	REAL300005639259	0	50	0.0	-56.27	398.00	9.95	-46.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NC3=NC=CC=N3)=C2)C1	REAL300005639260	0	50	0.0	-58.12	385.28	10.49	-47.63
CC(OC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1)C1=CC=CC=C1	REAL300005639261	0	56	0.0	-54.06	433.15	9.48	-44.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H](O)CC2=CC=CC=C2)C1	REAL300005639262	0	47	0.0	-52.80	357.42	7.37	-45.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H](O)C2=CC=CC=C2)C1	REAL300005639263	0	44	0.0	-50.82	332.56	6.60	-44.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300005639264	0	47	0.0	-57.19	371.73	7.63	-49.56
COC1=CC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639265	0	47	0.0	-47.44	348.10	9.27	-38.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H](O)C2=CC=CC=C2)C1	REAL300005639266	0	44	0.0	-51.16	331.85	6.62	-44.54
CC1=CC=C(F)C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639267	0	46	0.0	-52.31	357.51	9.65	-42.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(O)=CC=C2Cl)C1	REAL300005639268	0	41	0.0	-69.58	332.76	5.56	-64.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=CN=C2)C1	REAL300005639269	0	43	0.0	-51.32	327.61	4.80	-46.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CN(CC3=CC=CC=C3)CCO2)C1	REAL300005639270	0	59	0.0	-52.85	433.68	8.55	-44.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CN2CCOCC2)C1	REAL300005639271	0	56	0.0	-52.88	412.07	8.14	-44.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C=CC=NN32)C1	REAL300005639272	0	43	0.0	-59.80	332.53	7.65	-52.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NC=CC(=O)N3N=C2)C1	REAL300005639273	0	43	0.0	-69.05	332.76	6.20	-62.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3C=CC=NN23)C1	REAL300005639274	0	42	0.0	-59.54	328.30	7.06	-52.48
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639275	0	46	0.0	-61.51	365.33	7.91	-53.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300005639276	0	47	0.0	-57.11	376.71	8.58	-48.53
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CNC2=CC=CC=C12	REAL300005639277	0	53	0.0	-53.71	399.94	10.31	-43.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CC(O)=C3)=C2)C1	REAL300005639278	0	47	0.0	-54.87	366.73	7.15	-47.72
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639279	0	60	0.0	-53.02	436.20	10.42	-42.60
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639280	0	60	0.0	-52.57	429.94	10.16	-42.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(OCC3=CC=CC=C3)C2)C1	REAL300005639281	0	54	0.0	-53.30	412.13	10.19	-43.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCN2CC2=CC=CC=C2)C1	REAL300005639282	1	58	0.0	-50.96	419.79	9.46	-41.50
CC(OC1=CC=CC(CO)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639283	0	51	0.0	-54.93	386.08	6.52	-48.41
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=NC=C1	REAL300005639284	0	49	0.0	-57.57	377.52	7.75	-49.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC=C2C2=CC=CC=C2F)C1	REAL300005639285	0	48	0.0	-55.98	379.01	9.55	-46.43
CN1C=C(C2=NNC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639286	0	47	0.0	-55.80	370.60	5.79	-50.01
CN1C=C(C2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=NN2)C=N1	REAL300005639286	1	47	0.0	-58.10	368.67	5.65	-52.45
CCN1C=C(C2=NNC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639287	0	50	0.0	-55.58	392.10	6.67	-48.91
CCN1C=C(C2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=NN2)C=N1	REAL300005639287	1	50	0.0	-57.76	390.19	6.52	-51.24
CN1C=C(C2=NN(C)C=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639288	0	50	0.0	-77.47	392.97	7.05	-70.42
CCN1C=C(C2=NN(C)C=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639289	0	53	0.0	-56.19	414.90	7.97	-48.22
CCN1C=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639290	0	46	0.0	-54.75	354.89	7.58	-47.17
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CN(C)C2=CC=CC=C12	REAL300005639291	0	53	0.0	-56.25	393.16	11.26	-44.99
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC(C2=CC(C)=CC=C2)=N1	REAL300005639293	0	53	0.0	-59.71	412.17	9.66	-50.05
CC1=NC2=CC=CC=C2N1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639294	0	49	0.0	-57.49	377.62	9.69	-47.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300005639295	0	46	0.0	-53.63	370.14	8.03	-45.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN(S(N)(=O)=O)C2)C1	REAL300005639296	0	50	0.0	-62.38	373.88	2.20	-60.18
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639297	0	54	0.0	-56.62	399.57	4.76	-51.86
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1OCCC2=C1C=CS2	REAL300005639298	0	51	0.0	-52.02	388.60	8.66	-43.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC(N)=NC(N3CCOCC3)=N2)C1	REAL300005639299	0	52	0.0	-56.89	395.96	6.93	-49.96
CC1=CN2C=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=N1	REAL300005639300	0	46	0.0	-59.91	358.47	9.23	-50.68
CNC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639301	0	45	0.0	-66.96	356.72	7.21	-59.75
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(CO)=NO1	REAL300005639302	0	43	0.0	-60.57	340.75	3.68	-56.89
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CN1C	REAL300005639303	0	47	0.0	-49.35	346.43	9.32	-40.03
CN1C=C(C2=NC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639304	0	49	0.0	-52.49	377.93	7.83	-44.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(CN3CCCC3)=C2)C1	REAL300005639305	0	51	0.0	-51.38	377.92	7.02	-44.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CCSCC2)C1	REAL300005639307	0	45	0.0	-59.39	339.26	7.35	-52.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CC(C)(C)C)C1	REAL300005639308	0	55	0.0	-46.70	385.45	11.57	-35.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C4OCOC4=C3)CC2)C1	REAL300005639309	0	50	0.0	-55.97	381.47	8.46	-47.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@]23C[C@H]2COC32CCC2)C1	REAL300005639310	0	49	0.0	-67.11	348.07	7.39	-59.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCC3(CC2)OCCO3)C1	REAL300005639311	0	55	0.0	-51.72	381.44	7.16	-44.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=C2C(=O)CCC3)C1	REAL300005639312	0	46	0.0	-57.93	351.18	8.74	-49.19
CC(C)CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639313	0	56	0.0	-51.94	420.46	12.10	-39.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(NS(C)(=O)=O)=C2)C1	REAL300005639314	0	51	0.0	-58.17	404.12	5.63	-52.54
CC1=NC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)S1	REAL300005639315	0	45	0.0	-54.17	356.02	7.30	-46.87
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(=O)N1	REAL300005639316	0	43	0.0	-54.48	331.44	6.11	-48.37
COC1=CC=C(C2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=CO2)C=C1	REAL300005639317	0	50	0.0	-59.49	395.38	5.87	-53.62
CNC1=NC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639318	0	47	0.0	-54.61	356.54	6.90	-47.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CN(CC3=CC=CC=C3)CCO2)C1	REAL300005639319	0	56	0.0	-54.15	409.73	7.81	-46.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300005639320	0	47	0.0	-50.64	353.11	9.43	-41.21
COC1=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(OC)=C1O	REAL300005639321	0	52	0.0	-56.54	400.01	5.93	-50.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CCC2)C1	REAL300005639322	0	43	0.0	-52.19	321.67	7.43	-44.76
COCCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639323	0	46	0.0	-54.85	361.51	3.44	-51.41
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OCCO	REAL300005639324	0	52	0.0	-58.61	397.61	4.96	-53.65
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=C2NC=NC2=NC=N1	REAL300005639325	0	49	0.0	-62.76	372.09	7.69	-55.07
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=C2N=CNC2=NC=N1	REAL300005639325	1	49	0.0	-59.53	373.58	7.87	-51.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=CC=N2)C1	REAL300005639326	0	48	0.0	-53.62	367.61	8.73	-44.89
CC(C)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639327	0	50	0.0	-50.67	369.50	7.67	-43.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCC3)C(F)=C2)C1	REAL300005639328	0	52	0.0	-51.80	384.31	8.23	-43.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCOCC3)C(F)=C2)C1	REAL300005639329	0	53	0.0	-53.18	399.58	7.03	-46.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC=C2N2CCOCC2)C1	REAL300005639330	0	53	0.0	-53.15	400.39	7.51	-45.64
COC1=CC=CC(C(O)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639331	0	48	0.0	-55.89	362.24	5.90	-49.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=C(F)C=C3)CC2)C1	REAL300005639332	0	50	0.0	-51.72	388.11	10.81	-40.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CO)CCOCC2)C1	REAL300005639333	0	48	0.0	-50.82	336.42	2.66	-48.16
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=N1	REAL300005639334	0	45	0.0	-49.78	351.54	7.74	-42.04
COCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=N1	REAL300005639335	0	43	0.0	-50.10	337.93	5.22	-44.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2CCCCC2)C1	REAL300005639336	0	55	0.0	-68.65	362.94	9.77	-58.88
COCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCC1	REAL300005639337	0	50	0.0	-50.12	356.51	6.98	-43.14
COCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCOCC1	REAL300005639338	0	51	0.0	-64.70	344.85	5.61	-59.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=NNN=C3C=C2)C1	REAL300005639339	0	41	0.0	-60.69	319.99	5.29	-55.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3CCCC3=C2)C1	REAL300005639340	0	44	0.0	-52.67	326.29	7.64	-45.03
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=N1	REAL300005639341	0	42	0.0	-48.17	323.52	6.88	-41.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=CC=C2Cl)C1	REAL300005639342	0	49	0.0	-51.94	386.10	10.88	-41.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C(C)(C)C)N=N2)C1	REAL300005639343	0	48	0.0	-61.21	364.19	6.77	-54.44
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005639344	0	42	0.0	-52.99	332.95	6.92	-46.07
CC1=CN2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC2=C1	REAL300005639345	0	47	0.0	-50.18	353.80	10.71	-39.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C2=CNN=C2)C1	REAL300005639346	0	47	0.0	-54.14	363.87	7.87	-46.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OC2CC2)C1	REAL300005639347	0	48	0.0	-54.15	366.94	9.16	-44.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(OC(F)F)=C2)C1	REAL300005639348	0	43	0.0	-58.15	343.81	5.34	-52.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=CC=CN=C3S2)C1	REAL300005639349	0	41	0.0	-60.48	333.23	5.45	-55.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300005639350	0	43	0.0	-54.88	341.63	7.50	-47.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=NC=CN3N=C2)C1	REAL300005639351	0	42	0.0	-53.99	325.03	6.44	-47.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3CCOC3=C2)C1	REAL300005639352	0	42	0.0	-57.39	322.88	4.23	-53.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NNN=C3N=C2)C1	REAL300005639353	0	41	0.0	-54.65	313.60	4.81	-49.84
CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005639354	0	45	0.0	-56.96	335.42	8.89	-48.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CC=NN3N=C2)C1	REAL300005639355	0	42	0.0	-60.00	323.74	6.45	-53.55
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC(F)=CC=C21	REAL300005639356	0	47	0.0	-54.24	366.83	9.70	-44.54
COC1=CC=C2CCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005639357	0	51	0.0	-47.83	373.17	9.60	-38.23
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)F)=N1	REAL300005639358	0	43	0.0	-47.77	332.94	6.94	-40.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3CCCCC3)=N2)C1	REAL300005639359	0	52	0.0	-49.82	388.69	10.18	-39.64
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2CCCCC2)=N1	REAL300005639360	0	55	0.0	-52.52	415.03	9.65	-42.87
COC1=CC=C2ON=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005639361	0	49	0.0	-57.16	383.44	7.54	-49.62
CN(C)S(=O)(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639362	0	54	0.0	-58.09	426.14	6.92	-51.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=C2N2CCOCC2)C1	REAL300005639363	0	59	0.0	-51.93	437.28	9.16	-42.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(O)C2=CC=C(Cl)C=C2)C1	REAL300005639364	0	47	0.0	-53.28	375.57	7.95	-45.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(C)(C)OC3=CC=CC=C32)C1	REAL300005639365	0	54	0.0	-52.04	395.11	9.72	-42.32
COCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005639366	0	46	0.0	-61.16	359.24	4.74	-56.42
CCC(C)(C)OCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639367	0	49	0.0	-51.63	356.20	8.09	-43.54
COC1=CC=CC(N2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=N2)=C1	REAL300005639368	0	50	0.0	-65.70	389.76	7.49	-58.21
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC2=CC=CC=C2C=C1	REAL300005639369	0	52	0.0	-52.86	391.32	11.51	-41.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C3OCOC3=C2)C1	REAL300005639370	0	52	0.0	-55.98	374.46	8.10	-47.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(O)C2=CC=C(Cl)C=C2)C1	REAL300005639371	0	47	0.0	-53.15	364.87	6.98	-46.17
CNC1=NC=NC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005639372	0	49	0.0	-60.35	375.28	8.08	-52.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC(Br)=CC=C3O2)C1	REAL300005639373	0	45	0.0	-47.23	356.97	10.07	-37.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NCC3=CSC=C3)C=C2)C1	REAL300005639375	0	52	0.0	-69.93	410.95	9.43	-60.50
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1CCSCC1	REAL300005639376	0	49	0.0	-45.55	352.61	6.92	-38.63
CC(C)CC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639377	0	61	0.0	-51.20	454.63	13.20	-38.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NCC3CC3)N=C2)C1	REAL300005639378	0	51	0.0	-50.50	381.86	8.54	-41.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(SC(C)(C)C)=C2)C1	REAL300005639380	0	52	0.0	-55.11	396.51	10.22	-44.89
COC1=CC=C(COCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639381	0	57	0.0	-53.87	436.96	9.08	-44.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(C3=NC=CN3)=C2)C1	REAL300005639383	0	46	0.0	-56.96	361.13	6.57	-50.39
CN(CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639384	1	54	0.0	-51.64	403.40	8.79	-42.85
CC1=CN(C2CCOCC2)N=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639386	0	54	0.0	-55.06	398.90	7.80	-47.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=NC3=C2CCCC3)C1	REAL300005639387	0	49	0.0	-57.68	369.18	7.36	-50.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(S(N)(=O)=O)CC2)C1	REAL300005639388	0	42	0.0	-61.53	329.99	1.59	-59.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=CN3C=CN=C23)C1	REAL300005639390	0	42	0.0	-59.24	326.79	7.69	-51.55
COCCOCCC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CN1	REAL300005639391	0	54	0.0	-54.10	412.16	6.57	-47.53
COCCOCCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N1	REAL300005639391	1	54	0.0	-55.34	417.07	5.77	-49.57
CC1=NC(C2CC2)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639392	0	49	0.0	-54.28	369.09	8.80	-45.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CCCCC2)C1	REAL300005639393	0	47	0.0	-59.73	341.11	7.77	-51.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CC3(CC3)C2)C1	REAL300005639394	0	45	0.0	-65.75	342.95	8.30	-57.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CCCOC2)C1	REAL300005639395	0	45	0.0	-54.30	327.07	6.04	-48.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2N2CCOCC2)C1	REAL300005639396	0	52	0.0	-54.09	390.29	6.39	-47.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1	REAL300005639397	0	50	0.0	-57.59	380.08	2.12	-55.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNS(=O)(=O)C2=CC=CN=C2)C1	REAL300005639398	0	50	0.0	-59.16	401.67	3.50	-55.66
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=N1	REAL300005639399	0	43	0.0	-56.08	332.71	4.62	-51.46
CNC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639400	0	44	0.0	-51.10	328.94	6.19	-44.91
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639401	0	47	0.0	-51.21	347.33	8.18	-43.03
CCCC1=NNC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639402	0	46	0.0	-49.09	344.23	7.00	-42.09
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC=N1	REAL300005639403	0	52	0.0	-57.92	396.59	10.05	-47.87
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC=N1	REAL300005639404	0	55	0.0	-57.64	405.53	10.34	-47.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC3=C2CCC3)C1	REAL300005639405	0	44	0.0	-56.58	331.34	6.84	-49.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCN2CC2=CC=NC=C2)C1	REAL300005639406	0	57	0.0	-52.02	414.73	7.72	-44.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCN2CC2=CC=CN=C2)C1	REAL300005639407	0	57	0.0	-52.52	414.65	7.63	-44.89
CC1=NNC(C)=C1C(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639408	0	49	0.0	-78.07	356.16	6.59	-71.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC2=CC=CC=N2)C1	REAL300005639410	0	44	0.0	-53.03	338.21	6.27	-46.76
COC1=CC(C)=CN=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639411	0	46	0.0	-56.33	349.06	8.16	-48.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC=C(C(C)(C)C)O2)C1	REAL300005639412	0	54	0.0	-54.59	410.42	7.19	-47.40
CSC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639413	0	47	0.0	-52.61	368.15	9.86	-42.75
CCC1=NN(C)C(CC)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639414	0	55	0.0	-54.92	410.92	9.10	-45.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCC2CCCC2)C1	REAL300005639415	0	50	0.0	-51.60	370.47	9.03	-42.57
CCSC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639416	0	50	0.0	-52.48	392.21	10.79	-41.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)N=CS2)C1	REAL300005639417	0	39	0.0	-52.81	326.94	6.70	-46.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CC=CC(O)=C32)C1	REAL300005639418	0	47	0.0	-52.30	348.23	9.75	-42.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C1	REAL300005639420	0	46	0.0	-55.34	353.74	7.81	-47.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2C2CC2)C1	REAL300005639421	0	46	0.0	-54.53	351.63	8.45	-46.08
CC1=CC=CC(Cl)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639422	0	46	0.0	-52.18	361.59	9.87	-42.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3OCCCN3N=C2)C1	REAL300005639423	0	45	0.0	-51.94	335.73	5.41	-46.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CN=CC(O)=C2)C1	REAL300005639424	0	43	0.0	-54.11	336.42	4.29	-49.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCC(=O)CC2)C1	REAL300005639425	0	48	0.0	-52.62	338.25	7.36	-45.26
CCOC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CO1	REAL300005639426	0	43	0.0	-58.48	335.87	4.10	-54.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CN=CN3C=C2)C1	REAL300005639427	0	43	0.0	-53.84	330.90	10.01	-43.83
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC(F)F	REAL300005639428	0	44	0.0	-52.38	344.48	5.66	-46.72
CC(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005639429	0	48	0.0	-54.01	359.85	8.80	-45.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC(F)F)C=N2)C1	REAL300005639430	0	43	0.0	-58.00	338.97	6.50	-51.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2CCOCC2)C1	REAL300005639431	0	53	0.0	-50.24	359.47	7.05	-43.19
CCC1=CC=CC=C1N1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005639432	0	52	0.0	-61.40	394.74	9.68	-51.72
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005639433	0	49	0.0	-60.14	381.44	8.95	-51.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=COC3=CC(F)=CC=C23)C1	REAL300005639434	0	46	0.0	-53.23	364.93	9.36	-43.87
CN(C)S(=O)(=O)N(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639435	0	49	0.0	-58.31	378.59	3.65	-54.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NCC3=CC=CC=N3)=C2)C1	REAL300005639436	0	54	0.0	-56.90	416.65	8.64	-48.26
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639437	0	52	0.0	-56.70	404.80	6.88	-49.82
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639438	0	50	0.0	-60.06	389.88	8.30	-51.76
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2=CC=CC=C2C)=N1	REAL300005639439	0	52	0.0	-54.14	409.26	10.15	-43.99
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005639440	0	51	0.0	-55.22	402.58	8.31	-46.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300005639441	0	48	0.0	-53.01	388.01	10.43	-42.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2CCOC2)C1	REAL300005639442	0	45	0.0	-52.65	340.86	5.79	-46.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(OCC3=CC=CC=N3)C=C2)C1	REAL300005639443	0	56	0.0	-54.69	434.57	10.51	-44.18
CC(OC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1)C1=CC=CC=C1	REAL300005639444	0	57	0.0	-54.07	431.99	11.83	-42.24
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCSC1	REAL300005639445	1	49	0.0	-51.61	365.19	6.67	-44.94
CC(C)CN1C=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C21	REAL300005639446	0	56	0.0	-55.35	422.29	11.93	-43.42
CC1=CC=C(C2=CNC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005639447	0	48	0.0	-54.72	385.59	9.41	-45.31
CC1=CC=CC=C1N1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005639448	0	49	0.0	-61.09	382.12	9.11	-51.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3=C(F)C=CC=C3F)=C2)C1	REAL300005639449	0	50	0.0	-56.10	398.70	11.64	-44.46
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C(C)C)O1	REAL300005639450	0	48	0.0	-50.67	358.15	7.18	-43.49
CC(OCC1=CC=NC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639451	0	49	0.0	-54.07	375.95	8.02	-46.05
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639452	0	47	0.0	-53.45	353.01	9.56	-43.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC(O)CO)N=C2)C1	REAL300005639453	0	48	0.0	-57.97	365.76	1.54	-56.43
CCC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1	REAL300005639454	0	48	0.0	-48.71	361.41	9.25	-39.46
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=C1CCCC2	REAL300005639455	0	50	0.0	-57.08	369.07	8.66	-48.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(CO)=N2)C1	REAL300005639456	0	40	0.0	-52.36	317.34	3.59	-48.77
CCON1CCC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005639457	0	55	0.0	-51.68	402.56	7.96	-43.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CN=C2)C1	REAL300005639458	0	46	0.0	-50.25	347.28	8.98	-41.27
CN(C)C1=CC=CN=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639459	0	47	0.0	-54.64	352.56	7.62	-47.02
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639463	0	57	0.0	-52.96	417.03	10.39	-42.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CC23CCCC3)C1	REAL300005639465	0	48	0.0	-62.44	345.74	9.10	-53.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CC3CCC2CC3)C1	REAL300005639466	0	51	0.0	-54.92	352.49	9.25	-45.67
CC1=NN(C)C2=NC(C)=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C12	REAL300005639467	0	51	0.0	-54.10	384.60	8.77	-45.33
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC2=NC=CC(C)=C12	REAL300005639468	0	48	0.0	-54.46	358.12	8.88	-45.58
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C	REAL300005639469	0	46	0.0	-52.60	341.56	7.37	-45.23
CCCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C	REAL300005639470	0	49	0.0	-56.16	369.55	7.63	-48.53
CN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C(F)(F)F	REAL300005639471	0	43	0.0	-48.17	336.71	6.90	-41.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC2=CC=CC(Cl)=C2)C1	REAL300005639472	0	45	0.0	-51.05	360.15	7.68	-43.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=NC=C2)C1	REAL300005639474	0	46	0.0	-54.48	360.30	6.11	-48.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC(F)=C3)=NO2)C1	REAL300005639475	0	46	0.0	-56.68	367.62	9.13	-47.55
CC(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639477	0	48	0.0	-56.19	371.83	9.34	-46.85
CN1C=C(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639478	0	48	0.0	-61.09	389.18	2.30	-58.79
CN1C=C(C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C2)C=N1	REAL300005639479	0	49	0.0	-58.19	380.46	7.40	-50.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC3=CC=CNC3=N2)C1	REAL300005639480	0	48	0.0	-70.04	372.05	7.91	-62.13
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1CCC2=CC=CC=C2C1	REAL300005639481	0	55	0.0	-52.57	393.70	8.25	-44.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=CN3C=CN=C23)C1	REAL300005639482	0	42	0.0	-59.24	326.79	7.69	-51.55
CC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1C	REAL300005639483	0	47	0.0	-54.36	352.18	6.45	-47.91
CC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=C2C=C1	REAL300005639484	0	48	0.0	-52.29	361.95	10.25	-42.04
CC1=CN=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639485	0	48	0.0	-53.84	368.23	8.59	-45.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=CN=CC=C3S2)C1	REAL300005639486	0	41	0.0	-56.02	332.76	6.53	-49.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC2C2=CC=CC=C2)C1	REAL300005639487	0	53	0.0	-50.50	379.84	10.83	-39.67
COC1=CC=C2OC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005639488	0	47	0.0	-55.52	363.98	7.70	-47.82
CC1=CN=C(COCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005639489	0	46	0.0	-57.17	362.42	4.86	-52.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC3=NNN=C32)C1	REAL300005639490	0	41	0.0	-58.44	321.79	4.57	-53.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3CCCOC3=C2)C1	REAL300005639491	0	45	0.0	-50.75	335.98	5.83	-44.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OCC(C)(C)C3=C2)C1	REAL300005639492	0	51	0.0	-53.87	381.98	8.85	-45.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC=C2C2=CC=C(F)C=C2)C1	REAL300005639493	0	48	0.0	-50.13	375.87	10.15	-39.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC23CCOC2=CC=CC=C23)C1	REAL300005639494	0	52	0.0	-55.90	383.83	9.68	-46.22
CC1=CC(Br)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639495	0	43	0.0	-49.46	343.28	9.71	-39.75
COC(CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639496	0	50	0.0	-51.73	379.70	9.59	-42.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2F)N2CCOCC2)C1	REAL300005639497	0	56	0.0	-55.47	409.98	7.36	-48.11
CCC(CC)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1CCOCC1	REAL300005639498	0	61	0.0	-46.88	394.23	8.99	-37.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NNC(C4CC4)=N3)C=C2)C1	REAL300005639499	0	53	0.0	-57.82	413.25	10.15	-47.67
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)C=C1	REAL300005639500	0	57	0.0	-54.93	425.29	9.90	-45.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NC(C(F)(F)F)=CN3C=C2)C1	REAL300005639501	0	46	0.0	-60.07	377.67	9.59	-50.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3C=C(C(F)(F)F)N=C3C=C2)C1	REAL300005639502	0	46	0.0	-57.50	371.94	9.39	-48.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3N=CC(Br)=CN3N=C2)C1	REAL300005639503	0	42	0.0	-50.49	345.29	7.96	-42.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=C4OCCC4=C3)=NO2)C1	REAL300005639504	0	51	0.0	-59.57	397.14	8.93	-50.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3N=CSC3=CC=C2)C1	REAL300005639506	0	42	0.0	-48.31	331.33	7.84	-40.47
COCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=N1	REAL300005639507	0	50	0.0	-53.67	382.74	6.14	-47.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(OCC3=CC=CC=C3)C=N2)C1	REAL300005639508	0	52	0.0	-54.64	408.92	7.58	-47.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3CSCC(C2)C3=O)C1	REAL300005639509	0	50	0.0	-75.01	363.52	8.56	-66.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=N3)CC2)C1	REAL300005639510	0	46	0.0	-51.80	347.51	8.82	-42.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CS(=O)(=O)C2CC2)C1	REAL300005639511	0	43	0.0	-61.62	335.04	4.91	-56.71
CC1=CC=C(C(C)C(O)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639512	0	53	0.0	-52.58	388.25	8.80	-43.78
CC(C1=CC=CC=C1)C(C)(O)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639513	0	53	0.0	-53.48	380.99	7.99	-45.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(CC3=CC=CC=C3)C=C2)C1	REAL300005639514	0	50	0.0	-57.81	389.90	10.18	-47.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3CCCCC3)C=C2)C1	REAL300005639515	0	53	0.0	-55.77	389.79	9.53	-46.24
CNC1=CN=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639516	0	43	0.0	-54.44	329.90	4.76	-49.68
CN(C)C1=CN=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639517	0	46	0.0	-54.54	348.69	6.72	-47.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(OC3=CC=CC=C3)C=N2)C1	REAL300005639518	0	49	0.0	-55.17	386.12	7.34	-47.83
CC(C)OC1=CN=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639519	0	48	0.0	-52.89	368.67	5.45	-47.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)N=C3CCCCN32)C1	REAL300005639522	0	50	0.0	-60.72	392.12	9.00	-51.72
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1CC1=CC=CC=C1	REAL300005639523	0	55	0.0	-62.08	418.94	9.75	-52.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2CCOCC2)C1	REAL300005639524	0	51	0.0	-54.08	379.27	5.72	-48.36
CCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2CCOCC2)=N1	REAL300005639525	0	57	0.0	-50.13	419.00	8.43	-41.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(C)(C)C)N=CN2)C1	REAL300005639526	0	49	0.0	-57.57	358.25	8.10	-49.47
CCC1=NC=CN1C(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639527	0	52	0.0	-56.02	388.86	9.42	-46.60
CON1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005639528	0	49	0.0	-74.79	354.59	5.49	-69.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(NC3CCC3)=C2)C1	REAL300005639529	0	51	0.0	-53.68	382.31	7.96	-45.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NC=NC3=CN=C2)C1	REAL300005639531	0	42	0.0	-56.18	321.02	6.22	-49.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC=C3N=CN=C32)C1	REAL300005639531	1	42	0.0	-68.93	324.75	6.56	-62.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN3C=C(C(F)(F)F)N=C23)C1	REAL300005639532	0	50	0.0	-49.04	384.59	9.75	-39.29
CN1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1	REAL300005639533	0	52	0.0	-53.87	388.95	5.44	-48.43
CN1CCCC1C1=NNC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639533	1	52	0.0	-55.45	387.93	5.27	-50.18
C#CCN1CCC[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639534	1	47	0.0	-53.33	349.76	6.10	-47.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(N3C=CN=C3)C=C2)C1	REAL300005639535	0	50	0.0	-55.55	386.50	11.30	-44.25
CC1=CC=NC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639536	0	45	0.0	-52.85	342.73	7.64	-45.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC=C3N=C(C(F)(F)F)N=C32)C1	REAL300005639537	0	45	0.0	-77.48	367.66	6.81	-70.67
CN1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005639538	0	52	0.0	-51.97	378.96	8.47	-43.50
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639539	0	50	0.0	-50.44	370.40	6.32	-44.12
CCC1=CNC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005639540	0	46	0.0	-55.35	352.49	7.00	-48.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCCN3C(C(F)(F)F)=N2)C1	REAL300005639541	0	50	0.0	-59.96	385.38	9.68	-50.28
CC1CN(C)CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005639542	0	49	0.0	-53.42	357.95	5.21	-48.21
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)NC1=O	REAL300005639543	0	43	0.0	-63.13	327.73	4.59	-58.54
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(S(N)(=O)=O)=C(C)O1	REAL300005639544	0	48	0.0	-57.23	386.15	2.77	-54.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(F)(F)F)=CNC2=O)C1	REAL300005639545	0	43	0.0	-58.80	345.66	5.86	-52.94
CN(C)C1=NC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639546	0	47	0.0	-53.20	357.35	6.83	-46.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NN3C=CC=NC3=N2)C1	REAL300005639547	0	44	0.0	-70.74	340.07	9.01	-61.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2CC2=CC=CC=N2)C1	REAL300005639549	0	54	0.0	-52.94	401.18	7.52	-45.42
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=NC2=NN1	REAL300005639550	0	45	0.0	-53.51	342.84	6.94	-46.57
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639551	0	53	0.0	-58.50	410.92	7.15	-51.35
CC1=NN(C)C(C)=C1C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1	REAL300005639551	1	53	0.0	-52.61	404.50	7.84	-44.77
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1CCOCC1	REAL300005639552	0	49	0.0	-47.39	347.52	4.79	-42.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC3=C2CCCCC3)C1	REAL300005639553	0	50	0.0	-55.51	360.22	7.80	-47.71
CC(CN1CCOCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639554	1	52	0.0	-50.80	377.23	5.23	-45.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2CCN(C3=CC=CC=N3)CC2)C1	REAL300005639555	1	59	0.0	-54.35	434.08	7.13	-47.22
CC(C)N1C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639556	0	47	0.0	-48.07	343.80	9.27	-38.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NC=CC=C3C=C2)C1	REAL300005639557	0	45	0.0	-59.08	346.99	8.28	-50.80
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1O	REAL300005639558	0	44	0.0	-54.08	335.59	5.77	-48.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3C=CC=NC3=C2)C1	REAL300005639559	0	42	0.0	-54.19	322.92	7.79	-46.40
CC1=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005639560	0	48	0.0	-57.20	368.08	8.85	-48.35
COC1=CC(Cl)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639561	0	44	0.0	-52.91	351.53	7.68	-45.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NC=NC3=CC=C2)C1	REAL300005639562	0	43	0.0	-54.04	327.71	8.13	-45.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3N=CNC3=CC=C2)C1	REAL300005639562	1	43	0.0	-52.21	327.94	8.11	-44.10
CC1=NC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)=CS1	REAL300005639563	0	49	0.0	-49.17	383.96	9.80	-39.37
COC1=CC=CC(C2=NNC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)=C1	REAL300005639564	0	51	0.0	-58.35	393.22	7.60	-50.75
COC1=CC=CC(C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NN2)=C1	REAL300005639564	1	51	0.0	-52.01	387.42	8.28	-43.73
CC1CCN(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005639565	1	51	0.0	-49.74	366.28	6.91	-42.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3CCCC3)=C2)C1	REAL300005639566	0	52	0.0	-53.43	383.11	8.39	-45.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(F)C=C2Br)C1	REAL300005639567	0	43	0.0	-45.93	349.66	10.03	-35.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=COC3=CC=CC=C23)C1	REAL300005639568	0	46	0.0	-54.22	358.60	9.30	-44.92
CCCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005639569	0	45	0.0	-56.16	346.13	8.16	-48.00
CC1=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=N1	REAL300005639570	0	45	0.0	-53.69	355.88	7.47	-46.22
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639571	0	53	0.0	-51.68	394.45	10.69	-40.99
CC1=CC=C2SC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1	REAL300005639572	0	46	0.0	-49.35	357.59	10.44	-38.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(F)C=C2F)C1	REAL300005639573	0	46	0.0	-52.94	363.80	9.82	-43.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300005639574	0	40	0.0	-47.46	338.60	9.56	-37.90
CC1=CC=CC(C)=C1NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639575	0	51	0.0	-52.10	383.08	8.68	-43.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3CCC3)C=C2)C1	REAL300005639576	0	51	0.0	-66.87	382.31	9.46	-57.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CNN=C3C2)C1	REAL300005639577	0	47	0.0	-54.37	350.21	6.91	-47.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(NC3CC3)S2)C1	REAL300005639578	0	45	0.0	-52.66	359.18	6.80	-45.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC(F)=C2)N2CCOCC2)C1	REAL300005639579	0	56	0.0	-51.19	407.54	7.97	-43.22
CCN1CCOC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005639580	0	49	0.0	-65.67	344.74	5.68	-59.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=CN=C2)C1	REAL300005639581	0	49	0.0	-54.30	376.78	7.54	-46.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300005639582	0	46	0.0	-56.15	367.22	9.09	-47.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCSC3=CC=CC=C32)C1	REAL300005639583	0	48	0.0	-51.44	365.84	10.05	-41.39
C[C@H](CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639586	0	49	0.0	-46.79	361.13	10.56	-36.23
C=CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005639587	0	50	0.0	-51.02	378.63	10.50	-40.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C)(O)C2=CC=CC=C2)C1	REAL300005639588	0	50	0.0	-51.77	372.00	7.92	-43.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(C)(C)C)S2)C1	REAL300005639589	0	49	0.0	-51.73	375.59	9.46	-42.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NSC3=CC=CC=C32)C1	REAL300005639590	0	45	0.0	-53.51	355.78	9.44	-44.07
CCC(O)(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005639591	0	53	0.0	-50.89	387.61	8.56	-42.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC4CC(CC(F)(C4)C2)C3)C1	REAL300005639592	0	54	0.0	-66.99	361.20	9.62	-57.37
CCCC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CCC	REAL300005639593	0	52	0.0	-45.98	375.88	10.82	-35.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=C2CCC(C(C)(C)C)CC2)C1	REAL300005639594	0	59	0.0	-44.97	402.85	11.48	-33.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNN=C2C2=CC=CC=C2)C1	REAL300005639595	0	46	0.0	-56.09	354.27	7.05	-49.04
CC1=NSC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639596	0	42	0.0	-52.72	328.95	7.54	-45.18
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C2OCOC2=C1	REAL300005639597	0	49	0.0	-55.34	371.58	7.92	-47.42
CC1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCC1=O	REAL300005639598	0	48	0.0	-48.23	348.71	8.64	-39.59
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=C1CCC2	REAL300005639599	0	50	0.0	-53.60	371.51	10.41	-43.19
CC1CC(C)CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005639600	0	52	0.0	-50.32	360.89	9.39	-40.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC(F)=CC(F)=C2)C1	REAL300005639601	0	44	0.0	-52.33	352.28	8.97	-43.36
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1	REAL300005639602	0	47	0.0	-54.53	352.26	7.38	-47.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(C)(C)CC2)C1	REAL300005639603	0	52	0.0	-71.75	365.12	9.24	-62.51
COC1=CC(CO)=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639604	0	48	0.0	-50.27	359.51	5.92	-44.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C[C@@H]2CCCC[C@H]2O)C1	REAL300005639605	0	50	0.0	-46.32	354.88	6.45	-39.87
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1O	REAL300005639606	0	46	0.0	-55.64	353.44	6.82	-48.82
CCSCC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639607	0	50	0.0	-49.18	385.04	11.15	-38.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC3=C2OCO3)C1	REAL300005639608	0	49	0.0	-55.88	377.96	8.39	-47.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(O)CCCC(C)(C)C2)C1	REAL300005639609	0	53	0.0	-51.91	366.66	6.72	-45.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(CCN3C=CC=N3)C=C2)C1	REAL300005639610	0	50	0.0	-62.45	392.31	8.15	-54.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2CC(F)F)C1	REAL300005639611	0	43	0.0	-50.04	331.43	7.29	-42.75
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639612	0	53	0.0	-66.98	382.53	6.86	-60.12
CC1=CC(=O)N(CC(C)(O)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639613	0	53	0.0	-72.63	394.04	6.06	-66.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(NC3=CC=CC=C3)SC=N2)C1	REAL300005639614	0	48	0.0	-55.01	378.18	8.65	-46.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=CN=N3)C=C2)C1	REAL300005639615	0	49	0.0	-61.77	383.54	8.34	-53.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(S(N)(=O)=O)=C2)C1	REAL300005639616	0	44	0.0	-58.78	355.33	0.95	-57.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=C3CCCCC3=NN2)C1	REAL300005639617	0	50	0.0	-53.44	365.49	7.80	-45.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=NNC=C32)C1	REAL300005639618	0	47	0.0	-49.60	343.69	7.33	-42.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=C2C=NN3)C1	REAL300005639618	1	47	0.0	-50.23	343.82	7.32	-42.91
CN1C=CN=C1CN1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005639619	0	58	0.0	-72.10	424.26	7.63	-64.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NCCN3C=CN=C3)C=C2)C1	REAL300005639621	0	55	0.0	-74.76	422.94	10.07	-64.69
CC1=CN=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639622	0	45	0.0	-52.68	342.73	7.65	-45.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(O)COCC2=CC=CC=C2)C1	REAL300005639623	0	54	0.0	-54.85	417.32	7.60	-47.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(CCS(C)(=O)=O)C2=CC=CC=C2)C1	REAL300005639624	0	55	0.0	-58.81	426.10	7.28	-51.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CN=CC3=CC=CC=C32)C1	REAL300005639625	0	48	0.0	-54.43	368.59	9.29	-45.14
CN1C=NC2=CN=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C21	REAL300005639626	0	45	0.0	-56.00	338.66	7.77	-48.23
CSC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)O1	REAL300005639628	0	44	0.0	-54.92	352.30	8.00	-46.92
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C21	REAL300005639629	0	48	0.0	-52.40	376.97	7.84	-44.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2C2=NC=CC=N2)C1	REAL300005639630	0	50	0.0	-56.74	377.09	7.64	-49.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CNC=N2)C1	REAL300005639631	0	44	0.0	-57.04	338.97	7.84	-49.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CN=CN2)C1	REAL300005639631	1	44	0.0	-56.15	340.37	7.84	-48.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NN3C=CN=C3)C=C2)C1	REAL300005639632	0	49	0.0	-74.95	377.26	9.09	-65.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3N=NN=C3N)=C2)C1	REAL300005639633	0	47	0.0	-62.54	366.79	7.81	-54.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3SC=CC3=CC=N2)C1	REAL300005639634	0	42	0.0	-55.35	334.69	8.34	-47.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3COCCN23)C1	REAL300005639635	0	45	0.0	-53.01	330.75	6.04	-46.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=C3CCCCN3N=C2)C1	REAL300005639636	0	50	0.0	-52.82	366.60	8.49	-44.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=NC3=CC=CC=C3C=C2)C1	REAL300005639637	0	49	0.0	-59.37	383.11	10.03	-49.34
COC1=CC=C([C@]2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C[C@H](O)C2)C=C1	REAL300005639638	0	55	0.0	-53.83	395.99	6.37	-47.46
CC1=CN(C(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639639	0	49	0.0	-58.11	353.60	8.41	-49.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3CCCCCN23)C1	REAL300005639641	0	50	0.0	-58.65	359.81	8.26	-50.39
CC(C)N1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2CCOCC2)=N1	REAL300005639642	0	60	0.0	-49.46	437.64	8.95	-40.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CCO)N=C2C2CCOCC2)C1	REAL300005639643	0	58	0.0	-55.80	435.95	4.55	-51.25
CN1CC(O)CC1(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639644	1	49	0.0	-48.22	337.31	2.19	-46.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3N=CC=C(C4=CC=CN=C4)N3N=C2)C1	REAL300005639646	0	51	0.0	-64.45	405.35	8.64	-55.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN([C@@H]3CC[C@H]3O)N=N2)C1	REAL300005639647	0	47	0.0	-57.34	355.43	3.44	-53.90
COC1=CC(COCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=N1	REAL300005639648	0	50	0.0	-55.58	392.10	6.05	-49.53
COC1=CC=C(COCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639649	0	50	0.0	-55.23	392.05	6.03	-49.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCC2=CC(=O)NC=C2)C1	REAL300005639650	0	47	0.0	-63.68	367.57	6.35	-57.33
CC1CCC2=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN2C1	REAL300005639651	0	50	0.0	-52.25	364.81	10.01	-42.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C2=CC=NC=C2)C1	REAL300005639652	0	49	0.0	-52.95	378.39	9.63	-43.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)CN2CCOCC2)C1	REAL300005639653	1	55	0.0	-46.00	375.80	5.79	-40.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@]2(C3=CC=CC=C3)C[C@H](O)C2)C1	REAL300005639654	0	51	0.0	-73.26	370.37	6.83	-66.43
COC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005639655	0	46	0.0	-55.43	347.69	5.99	-49.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC3=CN=CC=C32)C1	REAL300005639656	0	48	0.0	-50.92	362.66	9.78	-41.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3CCOCC3=N2)C1	REAL300005639657	0	45	0.0	-53.20	334.93	7.08	-46.12
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)OC2=C(F)C=C1	REAL300005639659	0	46	0.0	-61.56	361.64	9.34	-52.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)O2)C1	REAL300005639660	0	44	0.0	-47.31	336.80	7.97	-39.34
CC1=C(C)N2N=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C=C1	REAL300005639661	0	49	0.0	-54.10	367.26	9.31	-44.79
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300005639662	0	54	0.0	-59.07	420.00	7.59	-51.48
CN1CCN(CC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)CC1	REAL300005639663	1	60	0.0	-52.38	439.74	6.84	-45.54
CN1CCN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)CC1	REAL300005639664	1	60	0.0	-52.21	439.94	6.87	-45.34
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639666	0	54	0.0	-59.68	408.29	9.54	-50.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCSCC2=CC=CC=N2)C1	REAL300005639667	0	49	0.0	-55.53	391.62	9.25	-46.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(N3C=CN=C3)=C2)C1	REAL300005639668	0	46	0.0	-56.03	358.31	9.59	-46.44
CNS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639669	0	41	0.0	-53.48	321.27	1.92	-51.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CS(=O)(=O)NC(C)(C)C)C1	REAL300005639670	0	50	0.0	-51.73	368.79	4.22	-47.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3NC=CC=C23)C1	REAL300005639671	0	43	0.0	-68.09	336.60	7.43	-60.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC3CC3)N=C2)C1	REAL300005639672	0	48	0.0	-50.69	359.13	7.80	-42.89
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1CC1=CC=C(F)C=C1	REAL300005639674	0	52	0.0	-63.39	403.32	9.07	-54.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3=CN=CO3)=C2)C1	REAL300005639675	0	46	0.0	-56.04	360.29	6.30	-49.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(O)=CC(Br)=C2)C1	REAL300005639676	0	41	0.0	-49.93	332.91	6.20	-43.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(Br)=CC=C2F)C1	REAL300005639677	0	43	0.0	-51.16	357.43	9.59	-41.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3C=CN=C3)=C2)C1	REAL300005639678	0	47	0.0	-54.82	361.78	10.29	-44.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC=C2C(F)(F)F)C1	REAL300005639679	0	42	0.0	-46.61	329.60	7.62	-38.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CNC=N3)C=C2)C1	REAL300005639680	0	47	0.0	-57.87	364.11	9.13	-48.74
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1C=NC2=CC=CC=C21	REAL300005639681	0	49	0.0	-48.88	367.62	10.25	-38.63
COC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639682	0	42	0.0	-55.88	326.48	2.50	-53.38
CC1=CC(=O)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CN1	REAL300005639683	0	43	0.0	-63.66	330.02	6.83	-56.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NNC=N3)C=C2)C1	REAL300005639684	0	46	0.0	-54.27	354.94	9.29	-44.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=CN3)C=C2)C1	REAL300005639684	1	46	0.0	-62.20	359.46	9.12	-53.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=CC=C2F)C1	REAL300005639685	0	47	0.0	-58.01	361.14	8.55	-49.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=CC=C3F)NN=C2)C1	REAL300005639685	1	47	0.0	-54.00	365.39	8.49	-45.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300005639686	0	42	0.0	-53.78	339.64	7.12	-46.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(C(F)(F)F)=C2)C1	REAL300005639687	0	42	0.0	-53.27	339.36	7.13	-46.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=CS3)N2)C1	REAL300005639688	0	41	0.0	-52.38	326.20	7.43	-44.95
CN1N=C2C=CC=CC2=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639689	0	46	0.0	-60.56	357.73	7.98	-52.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CN3C=CN=C3)=C2)C1	REAL300005639690	0	50	0.0	-56.28	388.57	11.14	-45.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(=O)NC3=CC=C(F)C=C32)C1	REAL300005639691	0	46	0.0	-54.07	360.99	7.63	-46.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(N3CCCCC3)=N2)C1	REAL300005639692	0	51	0.0	-51.80	384.68	8.14	-43.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3SC=CC3=CC=C2)C1	REAL300005639693	0	43	0.0	-53.85	343.81	9.30	-44.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC(F)=CC=C3N=C2)C1	REAL300005639694	0	45	0.0	-55.24	352.94	8.24	-47.00
CC1=CC=C(O)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639695	0	44	0.0	-55.56	335.24	5.64	-49.92
CC1=NC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2N1	REAL300005639696	0	46	0.0	-57.58	354.23	7.40	-50.18
CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C2N1	REAL300005639696	1	46	0.0	-51.03	349.64	7.95	-43.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=CC=NN3C=C2)C1	REAL300005639697	0	42	0.0	-59.21	327.59	7.66	-51.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CN=CC=N2)C1	REAL300005639698	0	44	0.0	-54.76	340.90	6.08	-48.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCN2C=NC=N2)C1	REAL300005639699	0	45	0.0	-56.63	349.17	9.14	-47.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=NC=C3C=C2)C1	REAL300005639700	0	45	0.0	-54.53	346.82	8.38	-46.15
CN1CCC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005639701	0	49	0.0	-48.43	359.43	8.20	-40.23
CCC(C)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639702	0	53	0.0	-66.75	396.18	9.63	-57.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2CCOCC2)C1	REAL300005639703	0	48	0.0	-54.47	340.29	4.30	-50.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3CCCCC32)C1	REAL300005639704	0	56	0.0	-44.91	384.53	11.10	-33.81
C=CCSC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639705	0	48	0.0	-47.92	373.96	10.83	-37.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(S(C)=O)C=C2)C1	REAL300005639706	0	48	0.0	-62.64	382.75	7.52	-55.12
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC2=CC=CC=C21	REAL300005639707	0	49	0.0	-57.34	373.73	10.09	-47.25
C#CCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCCC1	REAL300005639708	0	51	0.0	-50.02	359.96	9.41	-40.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2CCC(O)CC2)C1	REAL300005639709	0	56	0.0	-74.10	378.64	6.05	-68.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(C3CCCCC3)=N2)C1	REAL300005639710	0	52	0.0	-54.45	387.02	7.73	-46.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(C(C)(C)C)C2)C1	REAL300005639711	0	52	0.0	-50.25	370.45	9.42	-40.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(O)CCC2=CC=CC=C2)C1	REAL300005639712	0	53	0.0	-53.44	392.89	7.83	-45.61
COC1CCCCC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639713	0	50	0.0	-71.32	363.72	7.55	-63.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C(C)(C)C)N=C2)C1	REAL300005639714	0	50	0.0	-55.48	377.93	7.83	-47.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2N2C=CN=N2)C1	REAL300005639715	0	46	0.0	-56.83	354.83	7.93	-48.90
CCOC1=CN=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639716	0	45	0.0	-53.71	349.01	4.53	-49.18
CCN1N=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005639717	0	45	0.0	-55.34	344.10	6.09	-49.25
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005639718	0	43	0.0	-53.38	345.55	4.77	-48.61
CC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005639719	0	46	0.0	-51.75	364.04	9.62	-42.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCSC(C)(C)C)C1	REAL300005639720	0	52	0.0	-50.86	393.09	9.93	-40.93
COC1CCC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005639721	0	53	0.0	-50.91	382.83	8.20	-42.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C[C@H]2CCCC[C@@H]2O)C1	REAL300005639722	0	50	0.0	-54.10	353.09	5.95	-48.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2S(C)=O)C1	REAL300005639723	0	48	0.0	-59.37	372.19	8.19	-51.18
CC1=NC(N)=NC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639725	0	46	0.0	-58.46	354.84	6.48	-51.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(O)CCSCC2)C1	REAL300005639726	0	45	0.0	-72.05	329.08	5.23	-66.82
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(=O)N1	REAL300005639727	0	49	0.0	-53.47	370.94	7.53	-45.94
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2O1	REAL300005639728	0	49	0.0	-55.17	377.95	10.04	-45.13
CC(C)OC1=NC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639729	0	49	0.0	-54.78	375.54	6.77	-48.01
CC1=C(CO)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005639730	0	44	0.0	-56.52	341.17	4.45	-52.07
CC1=CC=CC2=C1OC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C2	REAL300005639731	0	48	0.0	-48.17	357.11	10.15	-38.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCCS(N)(=O)=O)C1	REAL300005639732	0	50	0.0	-60.63	391.74	3.29	-57.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCC3=CC=CC=C3C2)C1	REAL300005639733	0	53	0.0	-49.55	374.27	10.29	-39.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCC3)N2)C1	REAL300005639734	0	45	0.0	-46.24	329.32	8.58	-37.66
CC(C)OC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=N1	REAL300005639735	0	49	0.0	-56.22	374.70	6.49	-49.73
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=CS1	REAL300005639736	0	45	0.0	-55.63	356.70	7.02	-48.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=C2CCSCC2)C1	REAL300005639737	0	45	0.0	-50.41	339.86	8.57	-41.84
CC(C)N1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639738	0	46	0.0	-51.36	342.44	7.52	-43.84
COC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCOCC1	REAL300005639739	0	48	0.0	-53.45	338.29	4.82	-48.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=NNC=C3C2)C1	REAL300005639740	0	47	0.0	-72.87	350.18	6.88	-65.99
COC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC(=O)NC1=O	REAL300005639741	0	44	0.0	-60.09	350.50	2.23	-57.86
CCCC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CO1	REAL300005639742	0	45	0.0	-54.32	346.13	6.01	-48.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CC3)S2)C1	REAL300005639743	0	44	0.0	-52.12	346.79	9.17	-42.95
CCCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1Cl	REAL300005639744	0	49	0.0	-51.85	382.67	10.48	-41.37
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Cl)=C1C	REAL300005639745	0	46	0.0	-51.69	356.41	9.50	-42.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C)(C)C2CCCCC2)C1	REAL300005639746	0	58	0.0	-49.57	393.12	10.56	-39.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3CCC3)=C2)C1	REAL300005639747	0	50	0.0	-52.49	371.44	10.47	-42.02
CC1CCC(C)(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1(C)C	REAL300005639748	0	59	0.0	-50.17	409.60	10.85	-39.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NC=CC=C3N=C2)C1	REAL300005639749	0	43	0.0	-65.56	336.25	6.23	-59.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CSC=C2)C1	REAL300005639750	0	41	0.0	-52.95	330.27	7.81	-45.14
CCCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005639751	0	48	0.0	-49.10	359.03	6.39	-42.71
CC(OC1=CC=CC=N1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639752	0	46	0.0	-55.27	352.80	6.92	-48.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3COCC3=C2)C1	REAL300005639753	0	48	0.0	-53.01	366.50	8.22	-44.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(NC3=CC=CC=C3)CC2)C1	REAL300005639754	0	49	0.0	-51.19	370.94	8.81	-42.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CO)C(F)=C2)C1	REAL300005639755	0	44	0.0	-54.83	342.23	5.44	-49.39
CCCCS(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639756	0	50	0.0	-54.93	385.81	4.35	-50.58
COC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C	REAL300005639757	0	44	0.0	-55.76	342.50	4.48	-51.28
CN1N=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C21	REAL300005639758	0	45	0.0	-52.64	342.79	6.97	-45.67
CC1=C(CCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=C1	REAL300005639759	0	49	0.0	-51.41	382.26	10.16	-41.25
CNC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005639761	0	45	0.0	-52.56	346.03	6.79	-45.77
CC(OCC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639762	0	50	0.0	-52.73	386.76	9.83	-42.90
CC(C)C1=CC=C2OC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005639763	0	52	0.0	-54.22	394.21	10.32	-43.90
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC(CC2CC2)=N1	REAL300005639764	0	49	0.0	-49.23	369.13	7.16	-42.07
CCOCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005639765	0	49	0.0	-54.43	387.80	6.41	-48.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300005639766	0	50	0.0	-56.93	395.73	8.37	-48.56
COC1=C(S(N)(=O)=O)SC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639767	0	46	0.0	-56.47	373.64	1.71	-54.76
C=C(C)C(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)OCC	REAL300005639768	0	50	0.0	-51.07	378.77	8.73	-42.34
CC1=NC2=CC=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639769	0	48	0.0	-56.95	367.10	8.90	-48.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=C(F)C=C3)CCOCC2)C1	REAL300005639770	0	57	0.0	-47.14	394.32	9.56	-37.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC(F)=C3)CCOCC2)C1	REAL300005639771	0	57	0.0	-52.42	407.94	9.71	-42.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC(OC(C)(C)C)=N2)C1	REAL300005639772	0	58	0.0	-54.00	429.99	9.91	-44.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2C2=CC=CC=C2)C1	REAL300005639773	0	52	0.0	-52.02	376.62	8.28	-43.74
CC1=NSC(NC2CC2)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639774	0	48	0.0	-52.15	374.53	7.48	-44.67
CCN1N=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(C)N=C21	REAL300005639775	0	51	0.0	-57.51	389.95	8.58	-48.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=CC=N2)C1	REAL300005639776	0	46	0.0	-57.16	359.01	6.77	-50.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=CC=N3)NN=C2)C1	REAL300005639776	1	46	0.0	-57.77	357.97	6.74	-51.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=CC=C3)N=CO2)C1	REAL300005639777	0	46	0.0	-60.12	364.61	6.38	-53.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(O)(C3=CC=CC(Cl)=C3)C2)C1	REAL300005639778	0	51	0.0	-52.64	394.32	9.17	-43.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC(C(F)F)=N2)C1	REAL300005639779	0	43	0.0	-55.25	345.81	7.14	-48.11
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1N=NN=C1C(C)(C)C	REAL300005639780	0	53	0.0	-54.16	390.98	7.04	-47.12
CN1C=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639781	0	45	0.0	-55.59	348.06	9.15	-46.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=CC=CC=C3S2)C1	REAL300005639782	0	42	0.0	-57.50	338.46	7.33	-50.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)C1	REAL300005639783	0	49	0.0	-54.64	400.01	9.72	-44.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=NC3=CC=CC=C32)C1	REAL300005639784	0	46	0.0	-53.29	352.58	10.44	-42.85
CCC1=NC2=CC=CC=C2N1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639785	0	52	0.0	-57.08	399.95	10.33	-46.75
CC(C)C(NS(C)(=O)=O)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639786	0	50	0.0	-58.37	381.23	3.36	-55.01
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1CCC2=CC=CC=C21	REAL300005639787	0	52	0.0	-51.73	376.74	8.11	-43.62
CN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1N1C=NN=C1	REAL300005639788	0	46	0.0	-57.90	360.78	9.22	-48.68
CC1=CC=C(N2C=NN=C2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639789	0	49	0.0	-54.45	381.58	11.73	-42.72
CN(C)C1=NOC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005639790	0	49	0.0	-56.80	379.83	7.58	-49.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=CC=N2)C1	REAL300005639791	0	48	0.0	-52.35	350.39	8.25	-44.10
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639792	0	47	0.0	-51.54	355.95	8.42	-43.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSCC2=CC=C(C(C)(C)C)C=C2)C1	REAL300005639793	0	59	0.0	-52.21	451.16	12.67	-39.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3)=CC=N2)C1	REAL300005639794	0	49	0.0	-49.32	368.59	10.92	-38.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CN3C=N2)C1	REAL300005639795	0	43	0.0	-55.79	333.95	10.10	-45.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=CC=C2)C1	REAL300005639796	0	44	0.0	-51.75	332.78	6.61	-45.14
CCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639797	0	54	0.0	-68.38	399.65	10.17	-58.21
CN(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639798	0	48	0.0	-53.35	357.35	8.28	-45.07
CNC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639799	0	45	0.0	-50.42	334.11	7.44	-42.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2O)C1	REAL300005639800	0	45	0.0	-54.95	350.21	6.52	-48.43
CCC1=NC2=CC=CC=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005639801	0	54	0.0	-55.51	397.93	10.63	-44.88
CC1=CC=C(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639802	0	51	0.0	-56.53	406.04	5.26	-51.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3N=CSC3=C2)C1	REAL300005639803	0	42	0.0	-50.52	330.05	7.77	-42.75
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639804	0	55	0.0	-55.80	416.63	9.89	-45.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2NC2=CC=CC=C2F)C1	REAL300005639805	0	51	0.0	-53.90	393.74	10.59	-43.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCS(=O)(=O)N2CCCC2)C1	REAL300005639806	0	54	0.0	-58.21	416.23	5.92	-52.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCN2C=CC=N2)C1	REAL300005639807	0	46	0.0	-54.94	354.42	7.71	-47.23
CC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005639808	0	42	0.0	-55.88	333.00	7.24	-48.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CO)=C2)C1	REAL300005639809	0	44	0.0	-54.82	337.68	5.19	-49.63
CC1=NN=C2CCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CN12	REAL300005639810	0	49	0.0	-70.85	361.02	8.77	-62.08
CCN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005639811	0	51	0.0	-51.74	383.16	10.04	-41.70
CN(C)C1=NC2=C(C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)S2)S1	REAL300005639812	0	47	0.0	-54.61	380.12	8.82	-45.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC3=NC=CN=C23)C1	REAL300005639816	0	44	0.0	-52.34	341.98	7.12	-45.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(N3CCCCC3)=N2)C1	REAL300005639817	0	53	0.0	-51.42	383.89	9.39	-42.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCCC3)N2)C1	REAL300005639818	0	48	0.0	-51.03	352.90	8.64	-42.39
COC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=NN1C	REAL300005639819	0	47	0.0	-58.24	367.46	5.28	-52.96
CC1=CC=C(N2CCCC2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639820	0	55	0.0	-52.99	399.00	9.03	-43.96
CC1=CC=C(N2C=CN=C2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639821	0	50	0.0	-53.61	385.56	10.99	-42.62
CC1=CC=C(NC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)N=N1	REAL300005639822	0	53	0.0	-59.02	408.08	9.38	-49.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC3=CN=CN32)C1	REAL300005639823	0	40	0.0	-56.75	326.67	8.31	-48.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2CCOCC2)C1	REAL300005639824	0	48	0.0	-52.85	358.19	6.56	-46.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCC(O)CC3)C=C2)C1	REAL300005639825	0	56	0.0	-72.77	404.39	6.15	-66.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(F)=C2N)C1	REAL300005639826	0	42	0.0	-49.18	335.60	7.10	-42.08
CC(OCCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639827	0	53	0.0	-52.46	401.76	10.55	-41.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CN=C2C2CC2)C1	REAL300005639828	0	45	0.0	-55.91	346.92	8.17	-47.74
CC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2CC2)=N1	REAL300005639829	0	48	0.0	-56.58	368.76	8.12	-48.46
CN1C=NC=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639830	0	46	0.0	-56.93	351.72	8.83	-48.10
CC(C)CC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCC1	REAL300005639831	0	55	0.0	-49.91	374.80	9.49	-40.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2(C)CCOCC2)C1	REAL300005639832	0	51	0.0	-45.88	361.18	8.10	-37.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(S(C)(=O)=O)CC2)C1	REAL300005639833	0	43	0.0	-63.51	337.90	4.06	-59.45
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(C)(C)C)=N1	REAL300005639834	0	52	0.0	-50.33	375.27	8.46	-41.87
CC(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CN=C1	REAL300005639835	0	51	0.0	-50.43	377.86	8.61	-41.82
CC1=CC(F)=CC(N2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=N2)=C1	REAL300005639836	0	49	0.0	-59.57	388.09	8.93	-50.64
COC(C)(C)C1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005639837	0	52	0.0	-54.59	397.64	6.64	-47.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=NC(C3=CC=CC=C3)=N2)C1	REAL300005639838	0	49	0.0	-58.50	386.63	10.62	-47.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(N3CCOCC3)=NC=N2)C1	REAL300005639839	0	51	0.0	-54.29	381.88	6.80	-47.49
COCC(C)C(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639841	0	49	0.0	-50.89	357.34	6.65	-44.24
CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCC(C)CC1	REAL300005639842	0	58	0.0	-49.38	393.34	10.32	-39.06
COCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1=CC=CC=C1	REAL300005639843	0	54	0.0	-58.71	413.97	8.70	-50.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)C=NN2)C1	REAL300005639844	0	40	0.0	-53.15	323.39	5.74	-47.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC=C2C(F)(F)F)C1	REAL300005639844	1	40	0.0	-55.87	322.16	6.03	-49.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(=O)NC(C3CC3)=C2)C1	REAL300005639845	0	47	0.0	-49.00	353.03	7.52	-41.48
CC(=O)C1=CN(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005639846	0	44	0.0	-56.52	351.15	5.38	-51.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(C(F)(F)F)CC2)C1	REAL300005639847	0	43	0.0	-50.59	335.15	8.28	-42.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC3=CC=NN32)C1	REAL300005639848	0	42	0.0	-61.40	332.13	6.80	-54.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC3CCC2O3)C1	REAL300005639849	0	48	0.0	-51.61	347.97	7.13	-44.48
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639850	0	51	0.0	-74.62	385.88	9.63	-64.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CN=C3)N=C2)C1	REAL300005639851	0	46	0.0	-51.80	352.78	7.75	-44.05
CC(O)C1=CN(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005639852	0	46	0.0	-57.15	357.95	3.04	-54.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC(C3=CC=CC=C3)=CS2)C1	REAL300005639853	0	46	0.0	-48.88	363.27	9.10	-39.78
CC1=C(C(C)C)N=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005639854	0	51	0.0	-53.54	397.90	8.66	-44.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=NC=CS2)C1	REAL300005639855	0	45	0.0	-53.02	358.22	7.63	-45.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(N3CCOCC3)=N2)C1	REAL300005639856	0	52	0.0	-54.66	403.39	5.74	-48.92
CCCCCCCCC(O)CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639857	0	64	0.0	-51.95	473.59	9.71	-42.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NC(C3=CC=CC=C3)=CS2)C1	REAL300005639858	0	49	0.0	-55.15	393.63	9.65	-45.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC=CC=C3C2)C1	REAL300005639859	0	47	0.0	-51.23	349.00	9.81	-41.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(NC3=CC=CN=C3)SC=N2)C1	REAL300005639860	0	47	0.0	-55.07	374.28	6.93	-48.14
CN1C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN=C1C1=CC=CC=C1	REAL300005639861	0	52	0.0	-68.59	391.72	10.45	-58.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC(O)C2=CC=CC=C2)C1	REAL300005639862	0	53	0.0	-52.77	402.03	8.17	-44.60
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=NC=C1	REAL300005639863	0	45	0.0	-76.16	340.05	7.57	-68.59
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005639864	0	49	0.0	-61.58	390.07	8.70	-52.88
CCCOC1=CC=NC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005639865	0	51	0.0	-54.74	396.19	6.16	-48.58
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CN1CCOCC1	REAL300005639866	0	53	0.0	-52.42	387.13	5.67	-46.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=NC=CS2)C1	REAL300005639867	0	45	0.0	-50.06	342.49	6.47	-43.59
CC1=CC=C(NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=CS2)C=C1	REAL300005639868	0	51	0.0	-54.89	399.60	9.33	-45.56
CC1=CC=CC=C1NC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=CS1	REAL300005639869	0	51	0.0	-54.66	396.64	9.45	-45.21
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=NC=CC=C12	REAL300005639870	0	48	0.0	-57.61	365.86	9.02	-48.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300005639871	0	43	0.0	-52.03	335.59	8.86	-43.17
C=CC1(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCCC1	REAL300005639872	0	53	0.0	-45.41	361.25	10.20	-35.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=COC3=C(Cl)C=C2)C1	REAL300005639873	0	43	0.0	-51.19	345.89	9.33	-41.86
CCCCNC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639874	0	54	0.0	-48.38	397.76	9.81	-38.57
CC1=CC=CC=C1NCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639875	0	51	0.0	-51.79	383.38	8.65	-43.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3CCCC(C2)C3=O)C1	REAL300005639876	0	52	0.0	-83.36	367.42	8.79	-74.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(O)C=C2)C1	REAL300005639877	0	45	0.0	-53.77	350.32	6.59	-47.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(O)C(Cl)=C2)C1	REAL300005639878	1	41	0.0	-53.64	332.74	5.60	-48.04
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(O)C(C(C)C)=C1	REAL300005639879	0	59	0.0	-45.47	426.92	10.43	-35.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CO)C=C2)C1	REAL300005639880	0	44	0.0	-55.55	339.37	5.29	-50.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNS(=O)(=O)C2=CC=CS2)C1	REAL300005639881	0	48	0.0	-57.78	398.61	4.29	-53.49
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(Cl)=C1O	REAL300005639882	0	48	0.0	-57.32	373.30	6.88	-50.44
CCC1=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2N=C1CC	REAL300005639883	0	56	0.0	-58.45	420.77	8.82	-49.63
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639884	0	57	0.0	-48.01	426.55	13.01	-35.00
COC1=CC=C(Cl)C=C1NCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639885	0	49	0.0	-53.15	388.53	7.09	-46.06
C#CCN1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005639886	1	50	0.0	-51.41	373.21	7.13	-44.28
COCCOC1=NC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639887	0	50	0.0	-56.85	389.04	5.20	-51.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC3CC3)N=C2)C1	REAL300005639890	0	50	0.0	-50.55	379.78	7.55	-43.00
CN(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005639894	0	51	0.0	-51.29	376.89	7.77	-43.52
CCC1=NOC2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C12	REAL300005639895	0	47	0.0	-51.07	359.42	6.58	-44.49
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CN=C2)=N1	REAL300005639896	0	49	0.0	-49.27	375.72	7.84	-41.43
CC(C)C1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CN1	REAL300005639897	0	46	0.0	-56.97	347.75	7.33	-49.64
CC(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N1	REAL300005639897	1	46	0.0	-51.90	346.95	7.05	-44.85
CC(C)C(CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639899	0	61	0.0	-49.86	411.56	11.40	-38.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC3=CC=NC=C3)=C2)C1	REAL300005639900	0	50	0.0	-56.02	388.03	8.96	-47.06
CC(C)NC1=NC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639901	0	50	0.0	-54.25	378.08	7.96	-46.29
CC1=NC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005639902	0	45	0.0	-53.76	358.19	7.46	-46.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC(C2=CC=CC=C2)C(F)(F)F)C1	REAL300005639903	0	51	0.0	-52.29	399.46	8.19	-44.10
CC(C)C1=NC=CN1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639904	0	52	0.0	-56.42	394.17	9.34	-47.08
CN(C)C1=NC=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639906	0	47	0.0	-53.41	380.37	7.47	-45.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(O)CCCCC2)C1	REAL300005639907	0	50	0.0	-50.94	357.30	7.17	-43.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(NC3=CC=CC=C3)=C2)C1	REAL300005639908	0	52	0.0	-54.34	396.52	10.20	-44.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2(C)NC(=O)NC2=O)C1	REAL300005639909	0	51	0.0	-56.89	385.96	3.28	-53.61
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005639910	0	48	0.0	-51.24	354.32	8.35	-42.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN3C=NC=C3C2)C1	REAL300005639912	0	47	0.0	-57.61	350.02	8.98	-48.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(Cl)C(F)=C2)C1	REAL300005639913	0	44	0.0	-53.89	362.04	9.41	-44.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC3=NN=CN3)C=C2)C1	REAL300005639914	0	49	0.0	-61.20	382.70	9.78	-51.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC3=NNC=N3)C=C2)C1	REAL300005639914	1	49	0.0	-58.58	383.97	9.42	-49.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(S(N)(=O)=O)=C2)C1	REAL300005639915	0	42	0.0	-62.68	342.28	0.94	-61.74
CNS(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CO1	REAL300005639916	0	45	0.0	-57.64	365.15	2.15	-55.49
CC(O)C1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005639917	0	43	0.0	-53.28	344.12	3.18	-50.10
COCC1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639918	0	47	0.0	-50.79	357.78	5.82	-44.97
CCC1=NN=C(C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639919	0	47	0.0	-57.22	357.20	7.01	-50.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=NC(C3=CC=CC=C3)=C2)C1	REAL300005639920	0	48	0.0	-59.00	371.61	8.52	-50.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(C3=CC=CC=C3F)C2)C1	REAL300005639921	0	52	0.0	-54.59	387.65	8.43	-46.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN(C3=CC=CC=C3Cl)C2)C1	REAL300005639922	0	52	0.0	-53.70	396.24	8.99	-44.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC(F)(F)F)C=N2)C1	REAL300005639923	0	46	0.0	-53.32	370.65	7.64	-45.68
CN1C=NC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C21	REAL300005639924	0	46	0.0	-57.93	348.88	9.06	-48.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3OC=CC3=CC(F)=C2)C1	REAL300005639925	0	43	0.0	-56.01	340.20	8.33	-47.68
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)OC2=CC=C1	REAL300005639926	0	46	0.0	-57.07	355.22	9.28	-47.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2NC(=O)NC2=O)C1	REAL300005639927	0	45	0.0	-55.59	342.84	2.30	-53.29
CN(C)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005639928	0	52	0.0	-53.22	390.18	9.80	-43.42
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639929	0	48	0.0	-63.61	377.47	3.50	-60.11
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C	REAL300005639930	0	47	0.0	-55.07	350.56	8.54	-46.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CSCCS2)C1	REAL300005639931	0	42	0.0	-64.10	327.87	8.03	-56.07
CC1=NNC(C)=C1CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639932	0	49	0.0	-55.32	372.32	7.25	-48.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3=CC=CC=N3)=N2)C1	REAL300005639933	0	48	0.0	-58.27	389.64	8.01	-50.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CN2C2=CC=C(F)C=C2)C1	REAL300005639934	0	47	0.0	-55.22	365.43	10.37	-44.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(N3CCOCC3)=CC=N2)C1	REAL300005639935	0	52	0.0	-66.85	384.45	5.80	-61.05
CC1=NNC(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639936	0	46	0.0	-54.46	351.02	6.47	-47.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300005639937	0	51	0.0	-58.27	406.18	4.69	-53.58
COC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=CC=CC=C21	REAL300005639938	0	49	0.0	-55.47	374.98	8.10	-47.37
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=NC=C2)=N1	REAL300005639939	0	49	0.0	-55.10	383.27	7.41	-47.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)N2CCSCC2)C1	REAL300005639940	0	56	0.0	-50.66	415.38	9.70	-40.96
CC(C)C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1CC(C)OC(C)C1	REAL300005639941	0	61	0.0	-50.45	420.98	6.99	-43.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(NC3=CC=CC=N3)=N2)C1	REAL300005639943	0	47	0.0	-49.97	371.58	9.81	-40.16
CCC(CC)N1C=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005639944	0	52	0.0	-56.62	385.74	9.02	-47.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(=O)C3=CC=CC=C32)C1	REAL300005639945	0	49	0.0	-54.42	368.72	9.52	-44.90
CC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(N)=N1	REAL300005639946	0	43	0.0	-52.56	325.25	5.32	-47.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C(O)C(F)=C2)C1	REAL300005639947	0	50	0.0	-54.26	390.68	7.74	-46.52
COC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005639948	0	42	0.0	-44.94	315.41	4.38	-40.56
CCC1=CC=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639949	0	45	0.0	-53.65	343.25	8.36	-45.29
COC(=CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639950	0	48	0.0	-54.50	369.01	9.27	-45.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=NNN=C32)C1	REAL300005639951	0	42	0.0	-48.22	319.77	5.69	-42.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2CCCC3)C1	REAL300005639952	0	50	0.0	-52.57	366.58	10.34	-42.23
CC1=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C	REAL300005639953	0	47	0.0	-57.36	361.13	7.70	-49.66
CC1=CC=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C12	REAL300005639954	0	48	0.0	-55.17	364.93	8.82	-46.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN3N=NN=C23)C1	REAL300005639955	0	41	0.0	-66.27	314.41	6.43	-59.84
CC(C)N1N=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639956	0	46	0.0	-53.36	344.18	7.22	-46.14
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2CC2)=N1	REAL300005639957	0	47	0.0	-54.98	361.71	7.85	-47.13
CC1=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C	REAL300005639958	0	49	0.0	-55.69	372.49	7.93	-47.76
COC1=NOC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639959	0	46	0.0	-55.31	359.86	5.31	-50.00
COC1=CC=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NN=C21	REAL300005639960	0	47	0.0	-62.91	365.43	6.01	-56.90
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1O	REAL300005639961	0	47	0.0	-53.32	361.63	6.83	-46.49
CN1C=NC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639962	0	44	0.0	-57.52	339.86	8.55	-48.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CN=CS2)C1	REAL300005639963	0	40	0.0	-52.91	324.64	6.69	-46.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC3=NC=NC3=C2)C1	REAL300005639964	0	42	0.0	-68.29	326.13	6.73	-61.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=NC=CN=C3C=C2)C1	REAL300005639965	0	43	0.0	-58.54	330.11	6.76	-51.78
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(CC2CC2)=N1	REAL300005639966	0	49	0.0	-53.00	384.86	8.71	-44.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCN(CC(F)F)CC2)C1	REAL300005639967	0	54	0.0	-53.64	395.68	7.85	-45.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=N3)=NO2)C1	REAL300005639968	0	45	0.0	-58.52	357.67	7.36	-51.16
CCNC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005639969	0	44	0.0	-52.91	348.96	5.86	-47.05
COC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2N=C1	REAL300005639970	0	49	0.0	-59.00	379.13	7.67	-51.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCCC3)CCCCC2)C1	REAL300005639971	0	62	0.0	-44.87	382.71	11.03	-33.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CNC3=CC=CC(Cl)=C23)C1	REAL300005639972	0	47	0.0	-54.83	375.25	9.38	-45.45
CC1=CC(C)=NC(=O)N1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639973	0	48	0.0	-66.32	369.16	6.42	-59.90
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005639974	0	49	0.0	-75.71	383.41	10.32	-65.39
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639975	0	56	0.0	-52.79	425.55	9.71	-43.08
CCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Cl)=C1	REAL300005639976	0	53	0.0	-46.13	406.56	10.69	-35.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(Br)C(O)=C2)C1	REAL300005639977	0	44	0.0	-53.11	361.98	6.74	-46.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CSC(C3=CC=CC=C3O)=N2)C1	REAL300005639978	0	49	0.0	-49.09	383.98	6.25	-42.84
CCCC1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCO1	REAL300005639979	0	53	0.0	-45.67	380.21	8.84	-36.83
CN1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C1N2	REAL300005639980	0	56	0.0	-55.37	411.13	7.35	-48.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2NC2CCCCC2)C1	REAL300005639981	0	58	0.0	-48.20	414.81	10.82	-37.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3C=C(Cl)C=C(Cl)C3=N2)C1	REAL300005639982	0	43	0.0	-54.33	360.68	10.74	-43.59
COC1=C(Br)C=CC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639983	0	47	0.0	-55.19	380.22	8.64	-46.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=NC4=CC=CC=C43)N=C2)C1	REAL300005639984	0	52	0.0	-58.30	395.27	12.19	-46.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=NSN=C2N2CCOCC2)C1	REAL300005639985	0	52	0.0	-54.72	407.28	3.84	-50.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CNC2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300005639986	0	51	0.0	-59.97	404.10	4.69	-55.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(C(F)(F)F)C=C3N2)C1	REAL300005639987	0	47	0.0	-52.96	375.06	9.33	-43.63
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639988	0	50	0.0	-78.61	393.08	10.20	-68.41
CC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005639989	0	56	0.0	-52.66	423.39	10.74	-41.92
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005639990	0	53	0.0	-58.37	399.31	9.92	-48.45
CC1=CC=C(C2=NNC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)C=C1C	REAL300005639991	0	53	0.0	-55.74	402.14	9.50	-46.24
CC1=CC=C(C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NN2)C=C1C	REAL300005639991	1	53	0.0	-50.22	396.32	10.19	-40.03
CC1=NNC(C)=C1C(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639992	0	52	0.0	-54.85	379.34	7.51	-47.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(N3CCCC3)=N2)C1	REAL300005639993	0	50	0.0	-57.18	374.09	8.66	-48.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN(CC(F)(F)F)C2)C1	REAL300005639994	0	51	0.0	-55.75	378.20	7.20	-48.55
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639995	0	47	0.0	-50.78	369.59	9.70	-41.08
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005639996	0	50	0.0	-59.22	382.91	10.34	-48.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC=C2OC2=CC=CC=C2)C1	REAL300005639997	0	50	0.0	-68.38	371.11	9.56	-58.82
CC1=NN(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C1=CC=CC=C1	REAL300005639998	0	53	0.0	-55.10	412.72	10.53	-44.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(OC2=CC=CC=C2)C(C)(C)O)C1	REAL300005639999	0	54	0.0	-54.15	387.58	7.24	-46.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(C)(C)C)C(Cl)=C2)C1	REAL300005640000	0	52	0.0	-50.79	388.76	10.40	-40.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C(=C2)CCCCC3=O)C1	REAL300005640001	0	52	0.0	-56.18	388.85	10.07	-46.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=NC=CN3C2)C1	REAL300005640002	0	47	0.0	-56.50	350.80	8.30	-48.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(CC3=CC=CC=C3)=NN2)C1	REAL300005640003	0	50	0.0	-55.31	387.33	9.09	-46.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C2=CC=C(O)C=C2)C2CC2)C1	REAL300005640004	0	54	0.0	-51.57	407.72	8.74	-42.83
CN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1CC1=CC=CC=C1	REAL300005640005	0	53	0.0	-57.67	408.32	9.92	-47.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN3C=CN=C3C2)C1	REAL300005640006	0	47	0.0	-63.21	345.36	8.28	-54.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CN=CN3C2)C1	REAL300005640007	0	47	0.0	-67.79	345.20	8.98	-58.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(=O)C3=CC=CC=C3)N=CN2)C1	REAL300005640008	0	49	0.0	-60.07	386.27	9.51	-50.56
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640009	0	53	0.0	-45.11	387.65	8.67	-36.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCCCS(N)(=O)=O)C1	REAL300005640010	0	53	0.0	-61.54	413.39	4.05	-57.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC(F)F)N=C2)C1	REAL300005640011	0	46	0.0	-52.12	361.25	6.28	-45.84
CC(C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1)C(F)(F)F	REAL300005640012	0	49	0.0	-52.79	381.52	10.13	-42.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(OCC(F)F)C=N2)C1	REAL300005640013	0	45	0.0	-57.45	362.03	4.84	-52.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(N3CCOCC3)CC2)C1	REAL300005640014	0	50	0.0	-51.17	349.76	4.92	-46.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(C(C)(C)O)CC2)C1	REAL300005640015	0	56	0.0	-50.40	384.00	6.73	-43.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(OC3=CC=C(Cl)C=C3)CC2)C1	REAL300005640016	0	48	0.0	-46.27	376.87	9.68	-36.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CS(=O)(=O)C2)C1	REAL300005640017	0	43	0.0	-57.86	337.32	3.90	-53.96
CC(C)N1C=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640018	0	49	0.0	-50.33	367.28	8.60	-41.73
CN1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300005640019	0	52	0.0	-64.02	394.13	10.79	-53.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC3=CC=CC=C3C=C2)C1	REAL300005640020	0	51	0.0	-57.04	392.39	10.11	-46.93
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=C(N=CNC2=O)O1	REAL300005640021	0	45	0.0	-65.02	359.36	4.79	-60.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CN=C2)C1	REAL300005640022	0	45	0.0	-53.82	346.77	7.95	-45.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2N2CCCC2)C1	REAL300005640023	0	51	0.0	-53.79	381.03	8.12	-45.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=NC3=CC=CC=C3N2)C1	REAL300005640024	0	49	0.0	-58.42	378.18	8.43	-49.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(F)C=C3S2)C1	REAL300005640025	0	43	0.0	-50.16	342.77	9.84	-40.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCC2=NC3=CC=CC=C3S2)C1	REAL300005640026	0	49	0.0	-57.52	396.68	8.76	-48.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(N3CCCC3)=CC=N2)C1	REAL300005640027	0	51	0.0	-66.27	374.59	7.37	-58.90
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640028	0	51	0.0	-63.33	399.90	4.71	-58.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300005640029	0	45	0.0	-57.07	345.97	8.31	-48.76
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640030	0	51	0.0	-59.43	387.10	9.39	-50.04
CN(C)C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640031	0	54	0.0	-52.93	404.45	10.16	-42.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C(O)C2=NC3=CC=CC=C3S2)C1	REAL300005640032	0	50	0.0	-56.50	396.49	4.04	-52.46
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C2C(=N1)ON=C2C(C)C	REAL300005640033	0	53	0.0	-61.10	404.00	6.79	-54.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CC=CC=N3)=N2)C1	REAL300005640034	0	45	0.0	-57.00	359.54	8.19	-48.81
CCN(CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005640035	1	54	0.0	-47.81	391.28	7.86	-39.95
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005640037	0	48	0.0	-52.10	361.35	9.11	-42.99
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2)N=C1	REAL300005640038	0	57	0.0	-53.74	417.86	9.26	-44.48
CN(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC1=CC=CC=C1	REAL300005640039	0	51	0.0	-51.48	381.23	7.96	-43.52
CN(C)C1=CC=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640040	0	47	0.0	-54.54	352.00	7.39	-47.15
CCCCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640041	0	60	0.0	-68.31	442.65	11.70	-56.61
CCCCN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640042	0	57	0.0	-68.27	420.84	10.77	-57.50
CCCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005640043	0	56	0.0	-51.06	412.83	10.79	-40.27
CC(=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(Cl)=C1	REAL300005640044	0	47	0.0	-51.68	376.09	10.74	-40.94
CN1C=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640045	0	46	0.0	-56.49	354.75	7.42	-49.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=CO3)N2)C1	REAL300005640046	0	41	0.0	-49.40	310.92	6.92	-42.48
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=NN2C=C1	REAL300005640047	0	46	0.0	-53.74	349.51	8.84	-44.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CC3)N=NS2)C1	REAL300005640048	0	42	0.0	-55.37	336.83	6.72	-48.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC3=NC=CC3=C2)C1	REAL300005640049	0	43	0.0	-60.27	326.00	7.77	-52.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3NC=CC3=C2)C1	REAL300005640049	1	43	0.0	-56.13	331.56	7.18	-48.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NNC=C3)S2)C1	REAL300005640050	0	44	0.0	-56.30	357.45	7.14	-49.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2CC(F)(F)F)C1	REAL300005640051	0	43	0.0	-47.22	336.03	7.40	-39.82
CC(C)CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1C=CN=C1	REAL300005640052	0	52	0.0	-53.46	385.09	10.43	-43.03
CCC1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640053	0	46	0.0	-48.93	344.65	7.48	-41.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3CCCCC3=C2)C1	REAL300005640054	0	47	0.0	-50.65	344.25	8.43	-42.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(N3C=CN=N3)C=CS2)C1	REAL300005640055	0	43	0.0	-54.82	345.96	7.59	-47.23
CCC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640056	0	55	0.0	-51.99	396.84	10.72	-41.27
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N1	REAL300005640057	0	43	0.0	-59.32	333.17	6.51	-52.81
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1OC	REAL300005640058	0	51	0.0	-54.38	384.72	7.90	-46.48
COCCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640059	0	47	0.0	-48.80	351.97	6.09	-42.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=NN2C2=CC=CC(F)=C2)C1	REAL300005640060	0	46	0.0	-57.16	359.95	7.67	-49.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=NC=C3)N=C2)C1	REAL300005640061	0	46	0.0	-52.98	352.86	7.76	-45.22
CC(CC1=CC=C(Br)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640062	0	49	0.0	-51.35	388.86	10.70	-40.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=C(Cl)S2)C1	REAL300005640063	0	44	0.0	-52.34	374.44	7.69	-44.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=C(Cl)S3)NN=C2)C1	REAL300005640063	1	44	0.0	-66.02	372.65	7.55	-58.47
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=C(Cl)S2)=N1	REAL300005640064	0	47	0.0	-52.90	397.23	9.00	-43.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2COC(C)(C)C)C1	REAL300005640065	0	56	0.0	-48.07	403.86	10.38	-37.69
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)N1C1=CN(C)N=C1	REAL300005640066	0	54	0.0	-56.55	413.04	9.55	-47.00
CCOC1=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CNC2=CC=C1	REAL300005640067	0	54	0.0	-55.86	412.59	9.26	-46.60
CCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCOCC1	REAL300005640068	0	50	0.0	-50.37	343.88	6.47	-43.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C(N)=C2Cl)C1	REAL300005640069	0	42	0.0	-51.22	347.79	6.90	-44.32
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C12	REAL300005640070	0	56	0.0	-55.83	418.03	8.33	-47.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CC3)N=N2)C1	REAL300005640071	0	46	0.0	-61.94	356.89	7.23	-54.71
CCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005640072	0	45	0.0	-61.55	347.07	6.45	-55.10
CC(C)N1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005640073	0	45	0.0	-61.12	344.35	6.20	-54.92
CC1=NC(CN2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=N2)=NO1	REAL300005640074	0	47	0.0	-65.66	376.55	4.16	-61.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CSC=C2)C1	REAL300005640075	0	44	0.0	-53.56	356.04	6.88	-46.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CCOC3)N=N2)C1	REAL300005640076	0	50	0.0	-63.95	381.52	5.73	-58.22
CC1=CC(CN2N=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C)=NO1	REAL300005640077	0	51	0.0	-69.03	397.95	7.30	-61.73
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1CC1CCCC1	REAL300005640078	0	55	0.0	-61.45	399.00	8.53	-52.92
CC(CC1=CN(C)N=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640080	0	49	0.0	-55.84	370.42	7.78	-48.06
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C2=CN(C)N=C2)O1	REAL300005640081	0	49	0.0	-56.70	378.67	6.62	-50.08
CC1=NC2=CC=NN2C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640082	0	45	0.0	-60.24	350.89	7.48	-52.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(OCC(F)F)=C2)C1	REAL300005640083	0	46	0.0	-60.02	367.58	5.88	-54.14
CC(C)CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)F)=N1	REAL300005640084	0	52	0.0	-46.44	393.74	9.44	-37.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2OCC(F)F)C1	REAL300005640085	0	46	0.0	-56.91	368.42	6.16	-50.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OCC(F)F)=N2)C1	REAL300005640086	0	46	0.0	-60.59	357.35	7.81	-52.78
CC(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C	REAL300005640087	0	48	0.0	-54.38	360.39	8.92	-45.46
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=CN2C=C1	REAL300005640088	0	46	0.0	-60.09	352.46	10.74	-49.35
CCC1=CC=CN=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640089	0	45	0.0	-56.62	344.87	7.65	-48.97
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1CCCCC1	REAL300005640090	0	56	0.0	-51.53	405.60	10.72	-40.81
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C(C)C1CC1	REAL300005640091	0	53	0.0	-50.99	395.46	10.37	-40.62
CN(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005640092	0	47	0.0	-56.30	359.38	5.47	-50.83
CN(C)C1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N(C)C2=NC=N1	REAL300005640093	0	53	0.0	-47.49	391.26	9.23	-38.26
CCC(CC)N1N=C(C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640094	0	55	0.0	-54.92	406.25	9.30	-45.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(OCC(F)F)=CC=N2)C1	REAL300005640095	0	46	0.0	-57.50	364.79	7.52	-49.98
COC1=CC=CN2N=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C12	REAL300005640097	0	47	0.0	-54.97	354.43	8.48	-46.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CCC3)N=C2)C1	REAL300005640098	0	47	0.0	-51.12	347.15	8.10	-43.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NC=CC=C3O2)C1	REAL300005640099	0	42	0.0	-57.21	329.09	6.81	-50.40
COCCCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005640100	0	57	0.0	-54.29	428.54	8.71	-45.58
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1C(F)(F)F	REAL300005640101	0	50	0.0	-49.34	365.44	9.33	-40.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2C2CCC2)C1	REAL300005640102	0	47	0.0	-48.52	345.16	8.39	-40.13
CC1=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=N1	REAL300005640103	0	43	0.0	-53.36	344.11	7.22	-46.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(Cl)C=C2)C1	REAL300005640104	0	44	0.0	-51.92	356.06	9.94	-41.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2OCC3)C1	REAL300005640105	0	45	0.0	-48.01	336.64	8.29	-39.72
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(C(C)(C)C)O1	REAL300005640106	0	52	0.0	-53.21	390.67	9.53	-43.68
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005640107	0	45	0.0	-55.80	348.81	7.85	-47.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CN=C(C(C)(C)C)S2)C1	REAL300005640108	0	52	0.0	-53.68	405.78	9.19	-44.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(NS(C)(=O)=O)C=C2)C1	REAL300005640109	0	52	0.0	-57.89	412.66	6.13	-51.76
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640110	0	57	0.0	-52.99	429.19	11.21	-41.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=NC3=CC(Cl)=CC=C3C=C2)C1	REAL300005640111	0	49	0.0	-60.11	399.80	10.54	-49.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC=C2CC2=CC=CC=C2)C1	REAL300005640112	0	51	0.0	-49.10	388.95	10.82	-38.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CC3)OC(C3CC3)=C2)C1	REAL300005640114	0	51	0.0	-53.19	390.92	10.75	-42.44
CC1=CC=CC=C1C(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640115	0	49	0.0	-49.80	349.28	9.89	-39.91
COC1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640116	0	44	0.0	-48.81	336.43	4.14	-44.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC(OC3CCCC3)=C2)C1	REAL300005640117	0	58	0.0	-52.53	434.33	11.67	-40.86
CCC1=CC=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640118	0	46	0.0	-53.19	364.25	9.91	-43.28
COC1=CC(Br)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640119	0	44	0.0	-52.88	356.08	7.79	-45.09
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NC=N1	REAL300005640121	0	42	0.0	-48.31	321.29	5.77	-42.54
COC1=NC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640122	0	42	0.0	-55.43	321.14	4.43	-51.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C(Br)=CC=CN3N=C2)C1	REAL300005640123	0	43	0.0	-52.59	344.86	8.77	-43.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300005640124	0	40	0.0	-51.62	322.20	7.97	-43.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)C(C)(C)C2(C)C)C1	REAL300005640125	0	52	0.0	-49.09	360.32	8.85	-40.24
CCC1=NOC(COCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640126	0	48	0.0	-56.19	378.07	5.54	-50.65
COC1=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(C)N=C2C=C1	REAL300005640127	0	52	0.0	-57.68	396.47	8.20	-49.48
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640128	0	53	0.0	-52.02	391.60	11.91	-40.11
CC1=CC2=CC=C(C)C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C=C1	REAL300005640129	0	52	0.0	-55.48	394.97	11.39	-44.09
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC(F)(F)F)=C1	REAL300005640130	0	47	0.0	-45.20	364.60	9.77	-35.43
CC1=CN=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005640131	0	45	0.0	-55.69	345.97	7.32	-48.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(C3=CC=CO3)=C2)C1	REAL300005640132	0	46	0.0	-55.69	361.89	7.90	-47.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C(F)(F)F)=N2)C1	REAL300005640133	0	41	0.0	-52.27	328.52	6.60	-45.67
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640134	0	55	0.0	-57.29	423.66	8.91	-48.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(C3=CC=CC=N3)=N2)C1	REAL300005640135	0	47	0.0	-58.72	370.05	8.18	-50.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=COC3=CC=N2)C1	REAL300005640136	0	42	0.0	-56.03	325.35	7.33	-48.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCOC2CCCC3)C1	REAL300005640137	0	51	0.0	-49.87	350.31	6.88	-42.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	REAL300005640138	0	57	0.0	-76.52	407.19	5.74	-70.78
CC1=CN=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005640139	0	45	0.0	-49.26	332.70	8.68	-40.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3CCCCC3=N2)C1	REAL300005640141	0	47	0.0	-52.86	344.01	9.43	-43.43
CC1=NN(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=NC=CC=C12	REAL300005640142	0	48	0.0	-52.80	370.60	8.78	-44.02
CCCOC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(F)C=C1C	REAL300005640143	0	56	0.0	-43.23	395.01	10.91	-32.32
CN1N=C(C2CC2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640144	0	47	0.0	-54.93	356.55	7.75	-47.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3CCCCC3)O2)C1	REAL300005640145	1	55	0.0	-49.28	399.77	8.50	-40.78
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640146	0	55	0.0	-53.00	409.19	10.65	-42.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COC3=C(F)C=C(F)C=C3C2)C1	REAL300005640147	0	48	0.0	-53.95	373.79	8.81	-45.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC3CC3)S2)C1	REAL300005640148	0	47	0.0	-51.87	370.42	10.04	-41.83
COC1=CC(OC)=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640149	0	51	0.0	-49.66	383.85	8.03	-41.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3=CC=CC=C3)=N2)C1	REAL300005640150	0	49	0.0	-50.71	369.83	11.07	-39.64
CC1=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=CC=C1[N+](=O)[O-]	REAL300005640151	0	49	0.0	-52.00	377.25	10.09	-41.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CNN=C32)C1	REAL300005640152	0	44	0.0	-53.54	322.05	6.82	-46.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=C2NN=C3)C1	REAL300005640152	1	44	0.0	-49.75	320.66	6.72	-43.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCCCCCC2CC2)C1	REAL300005640153	0	61	0.0	-49.99	452.63	12.95	-37.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCOCC2)C1	REAL300005640154	0	50	0.0	-50.35	353.99	7.44	-42.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@]23CCO[C@@H]2CCCCC3)C1	REAL300005640155	0	54	0.0	-51.54	347.12	6.94	-44.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCC(C)(CC2)OC3)C1	REAL300005640156	0	51	0.0	-48.08	348.85	7.59	-40.49
CC1CCC(C)(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005640157	0	52	0.0	-49.53	355.46	8.86	-40.67
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SN=N1	REAL300005640158	0	44	0.0	-51.25	341.58	6.97	-44.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=C2NN=C3)C1	REAL300005640159	0	47	0.0	-48.52	344.08	7.38	-41.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=CNN=C32)C1	REAL300005640159	1	47	0.0	-51.88	337.67	7.14	-44.74
COC1=C2C=CSC2=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640160	0	47	0.0	-48.44	365.55	9.09	-39.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3(C)CC3)=C2)C1	REAL300005640161	0	50	0.0	-51.63	371.78	10.36	-41.27
CC1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)C1	REAL300005640162	0	55	0.0	-51.87	400.46	8.89	-42.98
C=CCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005640163	0	44	0.0	-51.50	336.32	7.55	-43.95
CC1=NOC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640164	0	45	0.0	-54.96	348.83	7.90	-47.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C(=C2)CCS3(=O)=O)C1	REAL300005640165	0	47	0.0	-61.26	363.24	6.24	-55.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3CCC3)=C2)C1	REAL300005640166	0	46	0.0	-56.31	351.37	8.69	-47.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC=C2C2=CC=CC=C2)C1	REAL300005640167	0	46	0.0	-57.00	358.67	9.50	-47.50
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC(F)=CC(F)=C1	REAL300005640168	0	46	0.0	-75.70	356.99	9.43	-66.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCC2=CC=C(C(F)(F)F)C=C2)C1	REAL300005640169	0	50	0.0	-53.38	403.75	10.35	-43.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2C(C)(C)C2(C)C)C1	REAL300005640170	0	52	0.0	-49.90	373.50	9.57	-40.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(Cl)C=C3S2)C1	REAL300005640171	0	43	0.0	-49.50	353.08	10.27	-39.23
COC1=CC=CC(N2C=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=N2)=C1	REAL300005640172	0	51	0.0	-64.89	393.91	8.97	-55.92
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC(F)=CC(F)=C1	REAL300005640173	0	47	0.0	-51.59	369.81	8.86	-42.73
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=CC(Cl)=C1	REAL300005640174	0	48	0.0	-54.16	384.58	8.07	-46.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(C2)CC(C)(C)C3)C1	REAL300005640175	0	53	0.0	-49.30	382.52	10.04	-39.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3)C=N2)C1	REAL300005640176	0	49	0.0	-54.67	374.05	10.38	-44.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CCCO3)N=N2)C1	REAL300005640177	0	50	0.0	-63.22	381.92	5.91	-57.31
C[C@@H]1C[C@H](C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC(C)(C)C1	REAL300005640178	0	55	0.0	-50.27	379.19	10.03	-40.24
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC)=N1	REAL300005640179	0	47	0.0	-48.36	359.16	4.24	-44.12
CC(C)CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C	REAL300005640180	0	54	0.0	-49.54	376.65	9.32	-40.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CCC(C3)C2(C)C)C1	REAL300005640181	0	53	0.0	-44.32	349.80	10.11	-34.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3C=CC(C(F)(F)F)=NC3=N2)C1	REAL300005640182	0	44	0.0	-66.64	364.46	10.03	-56.61
COCC1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)C1	REAL300005640183	0	59	0.0	-52.58	438.50	8.15	-44.43
COC1=CC=CC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640184	0	47	0.0	-54.79	358.34	7.96	-46.83
CC(C)C1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640185	0	49	0.0	-52.60	379.64	10.29	-42.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CS3)CC2)C1	REAL300005640186	0	44	0.0	-52.30	348.41	9.05	-43.25
CCC(C)(COCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640187	0	59	0.0	-68.77	428.31	10.21	-58.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(CCC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300005640188	0	59	0.0	-51.82	447.76	13.72	-38.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCOCC3)CC2)C1	REAL300005640189	0	51	0.0	-50.79	364.97	7.73	-43.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CC3CCC(C2)S3)C1	REAL300005640191	0	51	0.0	-59.92	342.43	8.52	-51.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CC3CCC(C2)S3(=O)=O)C1	REAL300005640192	0	53	0.0	-65.83	351.99	5.73	-60.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCO[C@H]2C(F)(F)F)C1	REAL300005640193	0	44	0.0	-51.39	338.73	6.18	-45.21
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CS2)=NO1	REAL300005640194	0	46	0.0	-59.61	374.67	8.94	-50.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300005640195	0	47	0.0	-52.30	390.93	8.38	-43.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=CC3=C2OCC3)C1	REAL300005640196	0	49	0.0	-58.13	357.64	6.97	-51.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(O)C2CCCC2)C1	REAL300005640197	0	50	0.0	-51.17	366.02	6.89	-44.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(CC(F)(F)F)C=C2)C1	REAL300005640198	0	43	0.0	-59.83	347.88	7.67	-52.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C(OC(F)F)C=C2)C1	REAL300005640199	0	51	0.0	-56.19	397.58	9.86	-46.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2(C)CCCC2)C1	REAL300005640200	0	50	0.0	-51.13	364.27	8.76	-42.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C=N2)C1	REAL300005640201	0	45	0.0	-50.01	340.55	9.76	-40.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2CC(F)(F)C2)C1	REAL300005640202	0	46	0.0	-52.16	353.50	8.96	-43.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC(Cl)=CC=C3C2)C1	REAL300005640203	0	48	0.0	-54.75	377.68	9.19	-45.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2COCC(C)(C)O2)C1	REAL300005640204	0	51	0.0	-48.57	367.94	7.71	-40.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCOC(C)(C)C2)C1	REAL300005640205	0	50	0.0	-74.72	357.58	7.13	-67.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCC(F)(F)F)C1	REAL300005640206	0	45	0.0	-52.06	353.15	8.66	-43.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2C[C@@H](OC(F)F)C2)C1	REAL300005640207	0	44	0.0	-52.42	342.03	6.52	-45.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(C)(C)C)=N2)C1	REAL300005640208	0	51	0.0	-55.53	369.57	10.14	-45.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3C=NC=N3)=N2)C1	REAL300005640209	0	45	0.0	-52.22	349.43	10.98	-41.24
COC1=CC=CC=C1C1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005640210	0	50	0.0	-56.54	396.84	8.50	-48.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3N(CCNS3(=O)=O)N=C2)C1	REAL300005640211	0	46	0.0	-55.68	356.87	1.93	-53.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2C(C)(C)C)C1	REAL300005640212	0	49	0.0	-49.16	348.31	8.05	-41.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCC[C@H]2C2CC2)C1	REAL300005640213	0	50	0.0	-49.56	358.13	9.62	-39.94
CC1=NC2=C(CCCC2CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005640214	0	52	0.0	-49.00	378.99	8.23	-40.77
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CN=CC=C12	REAL300005640215	0	49	0.0	-55.60	374.84	7.73	-47.87
CCCCCC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640216	0	58	0.0	-51.35	437.93	12.70	-38.65
CCCCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005640217	0	48	0.0	-51.99	376.39	8.04	-43.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(COC(C)(C)C)S2)C1	REAL300005640218	0	52	0.0	-54.35	401.33	6.89	-47.46
CCC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005640219	0	42	0.0	-49.49	327.42	7.70	-41.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC=C2C2CC2)C1	REAL300005640220	0	44	0.0	-50.03	328.05	7.57	-42.46
COC1=CC(F)=CC(N2C=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=N2)=C1	REAL300005640221	0	51	0.0	-59.69	400.30	9.04	-50.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3CC3CC2)C1	REAL300005640222	0	50	0.0	-45.63	341.85	9.79	-35.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC=CCC2)C1	REAL300005640223	0	50	0.0	-50.08	356.48	9.62	-40.46
CC(=O)N1CSC[C@@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640224	0	45	0.0	-47.66	338.86	7.68	-39.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CCCC(C)(C)C2)C1	REAL300005640225	0	50	0.0	-51.16	362.08	9.22	-41.94
COCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCCO1	REAL300005640226	0	51	0.0	-62.89	352.85	6.91	-55.98
CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C(F)(F)F	REAL300005640227	0	46	0.0	-53.15	357.25	9.38	-43.77
CN(C)C1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)SC2=CC=C1	REAL300005640228	0	51	0.0	-48.51	390.69	9.24	-39.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CC2(C2=CC=NC=C2)CC3)C1	REAL300005640229	0	53	0.0	-51.16	386.33	9.83	-41.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C(F)C=C2F)C1	REAL300005640230	0	47	0.0	-51.33	369.96	10.35	-40.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2CCCCCCC2)C1	REAL300005640231	0	56	0.0	-51.47	375.67	7.61	-43.86
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C2CCCCC2=N1	REAL300005640232	0	52	0.0	-54.80	382.62	9.10	-45.70
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640233	0	57	0.0	-55.22	422.62	10.99	-44.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CN=C2)C1	REAL300005640234	0	43	0.0	-55.23	334.22	7.66	-47.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(O)(C3=CC=CC=C3)C2)C1	REAL300005640235	0	54	0.0	-52.54	398.39	8.06	-44.48
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005640236	0	54	0.0	-55.42	402.73	7.42	-48.00
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005640237	0	58	0.0	-55.11	437.36	6.49	-48.62
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005640238	0	51	0.0	-55.63	381.64	6.57	-49.06
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C	REAL300005640239	0	54	0.0	-56.38	399.40	7.01	-49.37
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640240	0	60	0.0	-53.54	427.85	9.02	-44.52
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C1=CC=C(F)C=C1	REAL300005640241	0	50	0.0	-50.57	380.72	10.07	-40.50
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640242	0	54	0.0	-53.79	395.76	7.52	-46.27
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C(C)C)O1	REAL300005640243	0	55	0.0	-52.61	412.61	10.42	-42.19
COC1=CC=C(N2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=N2)C=C1	REAL300005640244	0	50	0.0	-63.06	389.70	7.49	-55.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=NN=C2C2=CC=CC=C2)C1	REAL300005640245	0	48	0.0	-57.78	374.13	7.76	-50.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CC3)O2)C1	REAL300005640246	0	44	0.0	-48.77	334.48	9.16	-39.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3=CC=CC=N3)N=C2)C1	REAL300005640247	0	47	0.0	-62.21	371.31	7.29	-54.92
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005640248	0	50	0.0	-52.43	377.33	8.78	-43.65
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C(F)F	REAL300005640249	0	43	0.0	-51.54	334.56	7.52	-44.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC2C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300005640250	0	49	0.0	-55.24	377.94	10.83	-44.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300005640251	0	52	0.0	-61.45	412.63	7.26	-54.19
CC(C)CC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005640252	0	48	0.0	-51.86	373.04	7.95	-43.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3CCCCC3)=C2)C1	REAL300005640253	0	53	0.0	-51.23	400.23	10.97	-40.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1	REAL300005640254	0	48	0.0	-52.60	338.36	9.68	-42.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(CC(C)(C)C)S2)C1	REAL300005640255	0	51	0.0	-51.78	388.35	8.31	-43.47
CC1CC2CC2CC1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640256	0	50	0.0	-66.49	351.67	9.57	-56.92
CCCC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640257	0	49	0.0	-46.98	360.72	10.54	-36.44
COC12CCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)(CC1)CC2	REAL300005640258	0	54	0.0	-72.39	362.81	7.78	-64.61
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640259	0	57	0.0	-52.83	417.49	8.48	-44.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NOC(C3CC3)=C2)C1	REAL300005640260	0	46	0.0	-49.92	352.86	9.23	-40.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2)C1	REAL300005640261	0	44	0.0	-52.25	339.34	9.42	-42.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2Cl)C1	REAL300005640262	0	44	0.0	-51.50	353.59	9.84	-41.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC(F)=C2)C1	REAL300005640263	0	44	0.0	-51.38	345.75	9.49	-41.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(Br)O2)C1	REAL300005640264	0	41	0.0	-54.94	343.63	8.33	-46.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3SC=NC3=C2)C1	REAL300005640265	0	42	0.0	-49.03	331.68	7.81	-41.22
CSC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640266	0	50	0.0	-52.90	392.15	10.76	-42.14
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640267	0	45	0.0	-56.05	358.03	9.17	-46.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(P(C)(C)=O)C=C2)C1	REAL300005640268	0	49	0.0	-57.90	386.52	7.52	-50.38
COC1=CC(=O)NC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640269	0	44	0.0	-61.41	339.81	4.92	-56.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(N3C=CC=C3)=CC=C2Cl)C1	REAL300005640270	0	48	0.0	-54.10	381.23	11.18	-42.92
CCCCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640271	0	48	0.0	-54.44	370.84	5.95	-48.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2CCCCCC2)C1	REAL300005640272	0	53	0.0	-51.35	379.20	9.39	-41.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300005640273	0	50	0.0	-49.04	350.40	9.50	-39.54
COC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCCCC1	REAL300005640274	0	53	0.0	-50.39	354.33	8.38	-42.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2CCCCC3)C1	REAL300005640275	0	53	0.0	-52.37	377.88	10.79	-41.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=NN(CC(F)(F)F)C=C2)C1	REAL300005640276	0	46	0.0	-56.91	364.29	8.23	-48.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C2CCC2)C1	REAL300005640277	0	50	0.0	-52.00	367.99	10.43	-41.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2N2C=CC=C2)C1	REAL300005640278	0	48	0.0	-52.08	369.14	10.91	-41.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC=C2N2CCOCC2)C1	REAL300005640279	0	52	0.0	-53.57	387.94	5.51	-48.06
CCOC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2C=C1	REAL300005640280	0	53	0.0	-56.51	405.77	10.52	-45.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C(F)C2=CC=CC=C2)C1	REAL300005640281	0	52	0.0	-72.24	375.09	9.95	-62.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3(C)CC3)C=C2)C1	REAL300005640282	0	50	0.0	-70.90	366.99	10.70	-60.20
CC(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005640283	0	49	0.0	-50.70	376.22	9.71	-40.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C3OCCCC3=C2)C1	REAL300005640284	0	54	0.0	-53.92	405.64	10.36	-43.56
CC1=NN(C2=CC=CC=C2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640285	0	50	0.0	-56.82	382.58	9.40	-47.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(=O)C3=CC=CC=C3)=CN2)C1	REAL300005640286	0	50	0.0	-57.54	388.82	9.44	-48.10
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640287	0	50	0.0	-55.12	390.69	9.29	-45.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3CC3)C=C2)C1	REAL300005640288	0	48	0.0	-53.93	365.77	8.87	-45.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=CC3=NC=NC=C32)C1	REAL300005640289	0	43	0.0	-54.92	334.30	6.73	-48.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(O)CC(C3=CC=CC=C3)C2)C1	REAL300005640290	0	51	0.0	-49.84	375.93	7.94	-41.90
COC1=C(Cl)C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640291	0	44	0.0	-53.73	352.23	8.15	-45.58
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C(C)C)N1	REAL300005640292	0	56	0.0	-52.66	414.15	9.59	-43.07
CCCOC1=CC=C2NC=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005640293	0	57	0.0	-48.97	429.87	10.51	-38.46
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C2CCCCN12	REAL300005640294	0	50	0.0	-58.86	367.80	9.43	-49.43
CC1=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C(F)(F)F)O1	REAL300005640295	0	46	0.0	-55.76	369.54	8.62	-47.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3CCOCC3=C2)C1	REAL300005640296	0	46	0.0	-55.24	345.31	6.80	-48.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(CC2=CC=CC=C2)C2CC2)C1	REAL300005640297	0	53	0.0	-50.73	400.05	11.56	-39.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=CC=C2C2=CC=CC=C2)C1	REAL300005640298	0	50	0.0	-55.76	383.33	9.33	-46.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC3CC3C2)C1	REAL300005640299	0	50	0.0	-49.95	358.11	9.83	-40.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CC=CN=C3)=N2)C1	REAL300005640300	0	45	0.0	-54.90	359.02	8.27	-46.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=CC=C3F)OC=N2)C1	REAL300005640301	0	46	0.0	-62.06	370.47	6.57	-55.49
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CN1	REAL300005640302	0	47	0.0	-48.47	346.58	8.26	-40.21
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640303	0	48	0.0	-58.07	375.55	8.30	-49.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CCCCO3)N=C2)C1	REAL300005640304	0	54	0.0	-47.32	397.00	8.28	-39.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC3=C2CCCCCC3)C1	REAL300005640305	0	53	0.0	-47.28	377.52	10.92	-36.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CC=CN3C=N2)C1	REAL300005640306	0	43	0.0	-60.27	331.22	10.08	-50.19
CC1=CC=CN2N=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C12	REAL300005640307	0	46	0.0	-53.50	348.73	9.30	-44.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC3=C2CCC(C)(C)C3)C1	REAL300005640308	0	53	0.0	-66.53	393.59	10.49	-56.04
CC1=CC2=CC=NC=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640309	0	48	0.0	-54.55	367.27	9.03	-45.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCOCCOC(C)(C)C)C1	REAL300005640310	0	56	0.0	-54.11	415.83	7.35	-46.76
CC(C)C1CCC2=C(C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)S2)C1	REAL300005640311	0	56	0.0	-50.97	414.25	11.24	-39.73
CN1N=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C21	REAL300005640312	0	45	0.0	-54.28	343.15	6.32	-47.96
CCOCCOCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640313	0	50	0.0	-54.17	381.54	6.21	-47.96
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640314	0	50	0.0	-49.38	386.43	10.23	-39.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2(C)CCOCC2)C1	REAL300005640315	0	51	0.0	-46.87	364.81	7.49	-39.38
CC1=CC=CN2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C12	REAL300005640316	0	49	0.0	-57.23	378.62	9.91	-47.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2CCCO2)C1	REAL300005640317	0	48	0.0	-48.63	352.44	8.13	-40.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300005640318	0	49	0.0	-60.34	391.23	6.45	-53.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CS3)CC3(CCC3)C2)C1	REAL300005640319	0	54	0.0	-50.85	406.61	11.15	-39.70
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC=C2)=CO1	REAL300005640320	0	50	0.0	-52.48	388.23	11.12	-41.36
CC1=C(CC(F)(F)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2N1	REAL300005640321	0	53	0.0	-59.74	411.74	10.26	-49.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C=CC=C2OCC2CC2)C1	REAL300005640322	0	51	0.0	-53.72	408.14	10.36	-43.36
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2CCCCC2)=NO1	REAL300005640323	0	55	0.0	-56.57	412.99	10.26	-46.31
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2CCCC2)=NO1	REAL300005640324	0	52	0.0	-56.82	394.64	9.60	-47.22
CC1=CSC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640325	0	43	0.0	-51.07	342.55	8.73	-42.34
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640326	0	53	0.0	-53.24	415.00	10.38	-42.86
CN1C=C(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCCO2)C=N1	REAL300005640327	0	51	0.0	-72.06	366.01	6.31	-65.75
COCCOC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640328	0	55	0.0	-54.54	424.29	8.92	-45.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2N2C=CC=N2)C1	REAL300005640329	0	51	0.0	-56.27	396.92	10.89	-45.38
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640330	0	50	0.0	-52.33	395.89	10.97	-41.36
CC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C(F)(F)F	REAL300005640331	0	50	0.0	-52.48	393.65	10.94	-41.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(C3CC3)C=C2)C1	REAL300005640332	0	51	0.0	-52.29	388.52	11.53	-40.76
CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005640333	0	54	0.0	-52.71	410.65	10.41	-42.30
CC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1OC(C)C	REAL300005640334	0	57	0.0	-52.56	428.69	11.04	-41.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3COCCN3C(C3=CC=CC=C3)=N2)C1	REAL300005640335	0	55	0.0	-60.49	412.51	9.78	-50.71
C=CCCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640336	0	53	0.0	-52.50	405.25	11.52	-40.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC3=NSN=C32)C1	REAL300005640337	0	44	0.0	-49.26	349.32	7.76	-41.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2CCCC3(CC3)S2(=O)=O)C1	REAL300005640338	0	52	0.0	-58.89	399.13	6.00	-52.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCS(N)(=O)=O)C1	REAL300005640339	0	44	0.0	-60.31	348.75	1.72	-58.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C2CC2)C1	REAL300005640341	0	47	0.0	-53.06	353.80	9.94	-43.12
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2N=C1	REAL300005640342	0	51	0.0	-58.51	389.18	9.61	-48.90
CC1=CC(C)=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)SC2=N1	REAL300005640343	0	48	0.0	-54.85	372.26	9.06	-45.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCO3)CCCO2)C1	REAL300005640344	0	52	0.0	-52.25	363.08	6.51	-45.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=NC=CS2)C1	REAL300005640345	0	40	0.0	-55.43	326.97	6.76	-48.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(F)C=C2F)C1	REAL300005640346	0	44	0.0	-50.75	351.24	9.54	-41.21
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005640347	0	47	0.0	-52.75	354.02	7.92	-44.83
COC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CS1	REAL300005640348	0	41	0.0	-47.24	321.47	6.90	-40.34
CN(C)S(=O)(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005640349	0	56	0.0	-86.17	420.29	5.18	-80.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CN=CC(Br)=C2)C1	REAL300005640350	0	45	0.0	-52.90	368.10	8.55	-44.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC(OC(F)F)=C2)C1	REAL300005640351	0	44	0.0	-53.09	346.22	8.07	-45.02
CCCCCCCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640352	0	64	0.0	-52.05	478.44	14.08	-37.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CC2(C2=CC=CN=C2)CC3)C1	REAL300005640353	0	53	0.0	-51.38	385.79	9.74	-41.64
COCC1(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCC1	REAL300005640354	0	53	0.0	-46.25	374.27	8.71	-37.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CCCCO2)C1	REAL300005640355	0	54	0.0	-65.83	382.50	9.59	-56.24
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640356	0	50	0.0	-63.54	384.76	10.41	-53.13
CN1N=C(C2CCOCC2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640357	0	54	0.0	-54.76	399.29	7.02	-47.74
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=CC=C1F	REAL300005640358	0	50	0.0	-56.40	388.61	10.81	-45.59
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(S(N)(=O)=O)S1	REAL300005640359	0	45	0.0	-62.00	371.97	2.65	-59.35
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1OC(F)F	REAL300005640360	0	47	0.0	-55.43	365.03	8.22	-47.21
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC2=CC=CC=C21	REAL300005640361	0	49	0.0	-54.87	380.20	10.72	-44.15
C[C@H](CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640362	0	55	0.0	-46.05	380.74	10.68	-35.37
CN1N=CC2=CC(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005640363	0	49	0.0	-55.47	379.89	8.91	-46.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3C=CC=C(Br)C3=N2)C1	REAL300005640364	0	42	0.0	-61.80	350.42	8.57	-53.23
CC1=CC(COCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005640365	0	46	0.0	-50.51	355.52	7.99	-42.52
CC1=CC=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C12	REAL300005640366	0	48	0.0	-55.16	367.20	9.11	-46.05
CCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=N1	REAL300005640367	0	49	0.0	-53.16	370.57	7.85	-45.31
CCCN1N=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005640368	0	49	0.0	-56.14	369.00	7.75	-48.39
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005640369	0	51	0.0	-53.05	386.27	9.26	-43.79
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NN=C1C(F)(F)F	REAL300005640370	0	43	0.0	-56.79	348.05	5.99	-50.80
CC1=C(C(F)(F)F)NN=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640370	1	43	0.0	-52.57	342.82	6.54	-46.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC=C2N2C=CC=N2)C1	REAL300005640371	0	46	0.0	-50.47	349.18	8.30	-42.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=N2)C1	REAL300005640372	0	43	0.0	-55.77	336.94	6.28	-49.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2CCC(CO)CC2)C1	REAL300005640374	1	52	0.0	-51.92	377.49	3.60	-48.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)CC2=CC=C(O)C=C2)C1	REAL300005640375	0	53	0.0	-52.32	384.29	7.14	-45.18
CC1=CC=CC=C1C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005640376	0	56	0.0	-49.81	405.98	12.42	-37.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2CCCO2)C1	REAL300005640377	0	50	0.0	-49.68	348.13	7.47	-42.21
CC1=CC(Cl)=CC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640378	0	46	0.0	-53.69	365.83	9.65	-44.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(C2)CC2(CCC2)C3)C1	REAL300005640379	0	54	0.0	-49.11	379.46	10.84	-38.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CC3)=NC3=CC=NN32)C1	REAL300005640380	0	49	0.0	-59.97	384.28	9.16	-50.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3SC=CC3=NC=C2)C1	REAL300005640381	0	42	0.0	-49.49	329.39	7.89	-41.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=C2COC3)C1	REAL300005640382	0	42	0.0	-53.92	323.35	5.48	-48.44
C=CCC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640383	0	47	0.0	-47.35	349.98	10.30	-37.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCC(CC2)C3(C)C)C1	REAL300005640384	0	53	0.0	-49.92	357.59	9.15	-40.77
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC([N+](=O)[O-])=C1N	REAL300005640385	0	48	0.0	-58.88	373.50	6.03	-52.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C(C)(F)F)CCOCC2)C1	REAL300005640386	0	50	0.0	-54.81	349.86	6.45	-48.36
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCO3)CCC2)C1	REAL300005640387	0	51	0.0	-69.13	352.96	8.16	-60.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCCO3)CCCO2)C1	REAL300005640388	0	55	0.0	-52.11	387.25	7.92	-44.19
CC1=CC=CC(C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2CCCCC2)=C1	REAL300005640389	0	62	0.0	-47.42	438.13	12.96	-34.46
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC(F)=C2)=N1	REAL300005640390	0	50	0.0	-58.92	392.56	9.43	-49.49
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CSC=C2)=NO1	REAL300005640391	0	46	0.0	-59.54	370.97	8.90	-50.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(Cl)C3=CC=CN=C23)C1	REAL300005640392	0	48	0.0	-54.23	385.15	9.89	-44.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CCC3)N=C2)C1	REAL300005640393	0	49	0.0	-51.20	359.24	9.02	-42.18
CC1=CN2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)SC2=N1	REAL300005640394	0	43	0.0	-60.01	345.09	8.37	-51.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=CC(Cl)=C2)C1	REAL300005640395	0	44	0.0	-53.53	349.46	7.13	-46.40
CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(Cl)=C1	REAL300005640396	0	49	0.0	-71.17	380.97	10.46	-60.71
CC1=CC=C2SC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2=C1	REAL300005640397	0	48	0.0	-54.43	373.93	10.40	-44.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(C3CCC3)C=C2)C1	REAL300005640398	0	53	0.0	-51.46	396.29	11.51	-39.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(C3=CC=CC=C3)=N2)C1	REAL300005640399	0	48	0.0	-50.13	362.99	10.36	-39.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)OC3=CC=CC=C32)C1	REAL300005640400	0	46	0.0	-56.55	376.70	9.66	-46.89
CC1=CC(C2CC2)=NC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640401	0	49	0.0	-55.93	368.27	8.74	-47.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CC2(C2=CC=CC=N2)CC3)C1	REAL300005640402	0	53	0.0	-52.40	392.08	9.89	-42.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2)C1	REAL300005640403	0	46	0.0	-53.55	352.73	8.48	-45.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3C=C(Br)C=CC3=N2)C1	REAL300005640404	0	42	0.0	-57.71	350.35	8.94	-48.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(COC3=CC=CC=C3)=N2)C1	REAL300005640405	0	50	0.0	-53.90	395.80	9.55	-44.35
CC1=C(C)C2=C(C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N2)O1	REAL300005640406	0	47	0.0	-49.49	353.72	8.43	-41.06
CC1=C(Cl)C=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1	REAL300005640407	0	47	0.0	-52.65	371.43	9.44	-43.21
COC1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N(C)C2=C1	REAL300005640408	0	51	0.0	-50.35	379.05	9.22	-41.13
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)N1	REAL300005640409	0	46	0.0	-51.54	358.27	4.54	-47.00
CC1=CC=C(C(C)CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640410	0	52	0.0	-51.51	386.78	10.85	-40.66
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C(F)(F)F	REAL300005640411	0	43	0.0	-48.13	340.57	7.63	-40.50
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(C)O1	REAL300005640412	0	46	0.0	-53.37	350.13	8.38	-44.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CC3(F)F)N=C2)C1	REAL300005640413	0	44	0.0	-49.24	342.00	7.74	-41.50
CC1=CC=C(C)C(C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)C)=C1	REAL300005640414	0	58	0.0	-49.18	403.97	11.73	-37.45
CN1N=NC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C21	REAL300005640415	0	45	0.0	-57.49	344.02	6.20	-51.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCOC3)S2)C1	REAL300005640416	0	47	0.0	-52.41	367.83	5.82	-46.59
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640417	0	47	0.0	-56.00	362.26	7.99	-48.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCCC2=CC=C(Cl)S2)C1	REAL300005640418	0	47	0.0	-52.54	393.78	9.81	-42.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CC3)OC=N2)C1	REAL300005640419	0	43	0.0	-49.77	326.05	6.65	-43.12
CCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)O1	REAL300005640420	0	46	0.0	-53.60	351.28	8.39	-45.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=C(C(F)(F)F)C3=C2CCC3)C1	REAL300005640421	0	50	0.0	-54.07	393.49	9.60	-44.47
CN1C=CC(C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NO2)=N1	REAL300005640422	0	46	0.0	-54.51	360.44	7.80	-46.71
CCC(F)(F)C(C)(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640423	0	48	0.0	-80.91	341.90	7.86	-73.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCCC2=CC=CS2)C1	REAL300005640424	0	47	0.0	-52.60	376.74	9.21	-43.39
CC1=CC(Br)=CC(C)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640425	0	49	0.0	-51.38	385.91	10.57	-40.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3C=CC=C(Br)C3=N2)C1	REAL300005640426	0	43	0.0	-57.71	348.52	10.34	-47.37
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCCOC1	REAL300005640427	0	51	0.0	-52.01	367.50	6.58	-45.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=CC=C2)CC3)C1	REAL300005640428	0	54	0.0	-51.54	394.91	11.55	-39.99
CN1C=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005640429	0	47	0.0	-55.96	359.02	9.64	-46.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(F)C=C3OC=CC3=C2)C1	REAL300005640430	0	43	0.0	-54.81	340.45	8.36	-46.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=C(F)C=C3)=CS2)C1	REAL300005640431	0	47	0.0	-51.86	377.00	10.40	-41.46
CCC(C)(C)CCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640432	0	54	0.0	-49.86	382.98	9.68	-40.18
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640433	0	50	0.0	-52.36	373.82	10.99	-41.37
CC1=C(C)C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C2N=N1	REAL300005640434	0	50	0.0	-57.12	377.36	8.23	-48.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCNS2(=O)=O)C1	REAL300005640435	0	45	0.0	-55.91	340.09	2.81	-53.10
CC1OC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C1C	REAL300005640436	0	51	0.0	-49.23	376.38	9.59	-39.64
COC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CNC2=C1	REAL300005640437	0	51	0.0	-51.80	386.19	8.76	-43.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300005640438	0	53	0.0	-55.39	414.77	10.58	-44.81
CCCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)O1	REAL300005640439	0	49	0.0	-53.55	372.78	9.17	-44.38
CN1C=CC2=CC=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C21	REAL300005640440	0	46	0.0	-59.97	353.76	7.72	-52.25
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC=C2)=NO1	REAL300005640441	0	55	0.0	-59.37	425.22	11.48	-47.89
CC1=CC=CC=C1C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCCC1	REAL300005640442	0	59	0.0	-49.92	419.92	12.06	-37.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CCC3)OC=N2)C1	REAL300005640443	0	46	0.0	-54.81	347.10	6.69	-48.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CC[C@H]3C[C@@H]2CO3)C1	REAL300005640444	0	48	0.0	-47.38	332.61	7.37	-40.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C(C)(C)C)=C2)C1	REAL300005640445	0	51	0.0	-52.16	377.07	8.41	-43.75
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640446	0	47	0.0	-51.77	368.78	8.38	-43.39
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005640447	0	49	0.0	-54.94	384.63	10.27	-44.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC23CCOCC3)C1	REAL300005640448	0	54	0.0	-52.43	370.76	8.10	-44.33
COC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C(F)(F)F	REAL300005640449	0	46	0.0	-55.66	370.33	5.69	-49.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NC=CC=C3N=C2)C1	REAL300005640450	0	44	0.0	-57.82	341.53	6.29	-51.53
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N(C)N=C1	REAL300005640451	0	49	0.0	-56.66	374.11	7.74	-48.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CC(=O)C3)N=N2)C1	REAL300005640452	0	48	0.0	-67.72	375.37	6.78	-60.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC3=NC=CN23)C1	REAL300005640453	0	40	0.0	-59.53	326.80	7.62	-51.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3(C)CC3(F)F)C=C2)C1	REAL300005640454	0	50	0.0	-52.95	384.33	10.55	-42.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=CC=CN=C3C=C2)C1	REAL300005640455	0	48	0.0	-55.39	371.66	9.29	-46.10
CSC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C	REAL300005640456	0	46	0.0	-50.69	337.99	7.82	-42.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCC3)NC2=O)C1	REAL300005640457	0	49	0.0	-48.66	372.18	7.46	-41.20
CN1N=C(C2CCC2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640458	0	50	0.0	-53.22	370.01	8.18	-45.04
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(C)=N1	REAL300005640459	0	45	0.0	-49.85	338.64	7.89	-41.96
CC1CCCN2C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C12	REAL300005640460	0	53	0.0	-60.35	386.07	9.65	-50.70
CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CN2C(C)=C1	REAL300005640461	0	49	0.0	-59.07	374.42	9.79	-49.28
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(F)C=C1	REAL300005640462	0	46	0.0	-75.62	351.07	9.38	-66.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=NC=NN32)C1	REAL300005640463	0	46	0.0	-49.85	333.01	8.72	-41.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(O)CCCOC2)C1	REAL300005640464	0	48	0.0	-51.54	346.18	5.11	-46.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)OCC(F)(F)F)C1	REAL300005640465	0	46	0.0	-55.40	352.13	6.94	-48.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCC[C@H]2C(F)(F)F)C1	REAL300005640466	0	46	0.0	-50.79	347.99	8.54	-42.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(Cl)C=C3OC2)C1	REAL300005640467	0	46	0.0	-63.00	373.06	9.07	-53.93
CCOC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1	REAL300005640468	0	49	0.0	-49.53	369.94	8.04	-41.49
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2N=C1	REAL300005640469	0	48	0.0	-58.81	369.51	8.89	-49.92
COCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCO1	REAL300005640470	0	48	0.0	-54.59	343.91	6.10	-48.49
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=NC=CC=C2C=C1	REAL300005640471	0	48	0.0	-58.90	370.40	9.07	-49.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCC(CC2)C3(C)C)C1	REAL300005640472	0	53	0.0	-49.92	357.59	9.15	-40.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=C(C3CC3)C=C2)C1	REAL300005640473	0	51	0.0	-52.56	382.20	8.74	-43.82
COC1=CC(F)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(F)=C1	REAL300005640474	0	44	0.0	-53.83	352.07	7.46	-46.37
CC1=CC=CC=C1C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCCCC1	REAL300005640475	0	62	0.0	-49.85	438.42	12.73	-37.12
CN1C=CC(C(C)(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640477	0	49	0.0	-79.48	353.30	7.75	-71.73
CC1=CN(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C1	REAL300005640478	0	46	0.0	-62.57	343.69	7.43	-55.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CSC(C3=CC=CC=C3)=N2)C1	REAL300005640479	0	48	0.0	-54.76	381.06	8.11	-46.65
CCC1=NN(C)C(CC)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640480	0	52	0.0	-52.76	390.90	8.90	-43.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(N3C=CN=N3)CC2)C1	REAL300005640481	0	43	0.0	-59.30	329.94	6.69	-52.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCC(CC2)CC3)C1	REAL300005640482	0	50	0.0	-50.13	342.30	8.71	-41.42
COC1=CC=CC=C1C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NO1	REAL300005640483	0	50	0.0	-59.82	383.76	9.06	-50.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NC=NN3C=C2)C1	REAL300005640484	0	42	0.0	-59.87	331.92	8.50	-51.37
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(CC2=CC=CC=C2)=NO1	REAL300005640485	0	52	0.0	-57.83	410.71	10.80	-47.03
COC1=CC(C)=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=C1	REAL300005640486	0	51	0.0	-50.77	380.56	8.79	-41.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(Cl)C(F)=C3N2)C1	REAL300005640487	0	44	0.0	-55.91	358.66	8.91	-47.00
CN1N=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=CN=C21	REAL300005640488	0	44	0.0	-54.45	341.63	7.65	-46.80
CC1=C(Cl)C2=NC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C=C1	REAL300005640489	0	48	0.0	-58.11	380.52	9.49	-48.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCOC3(CCOCC3)C2)C1	REAL300005640490	0	55	0.0	-76.38	387.65	6.68	-69.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(SC=C3)S2)C1	REAL300005640491	0	40	0.0	-48.87	326.63	8.82	-40.05
CC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640492	0	43	0.0	-51.29	342.10	9.05	-42.24
COC1=NN2C(=NN=C2CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640493	0	51	0.0	-60.14	401.40	6.49	-53.65
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640494	0	50	0.0	-54.84	401.02	9.73	-45.11
CCC(CCOC)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640495	0	49	0.0	-51.73	360.40	6.77	-44.96
COC1=CC(C)=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)OC2=C1	REAL300005640496	0	50	0.0	-57.21	384.61	8.58	-48.63
CCC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC1=CC=CC=C1	REAL300005640497	0	55	0.0	-50.90	404.76	11.56	-39.34
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=CS1	REAL300005640498	0	42	0.0	-53.78	328.14	7.32	-46.46
CC(C)=CCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1O	REAL300005640499	0	54	0.0	-55.17	406.24	8.59	-46.58
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2N1C	REAL300005640500	0	50	0.0	-57.98	383.82	10.30	-47.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3SC=CN23)C1	REAL300005640501	0	40	0.0	-59.16	321.32	7.38	-51.78
CC1=NC=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005640502	0	45	0.0	-53.62	358.64	7.67	-45.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2N2C=CC(C3CC3)=N2)C1	REAL300005640503	0	54	0.0	-56.86	411.49	11.59	-45.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CC3=CC=CC=C3C2)C1	REAL300005640504	0	50	0.0	-50.60	363.57	10.04	-40.56
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(F)C(Cl)=C1	REAL300005640505	0	46	0.0	-49.30	368.46	9.83	-39.47
CC1=CC=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=CC=C12	REAL300005640506	0	48	0.0	-54.88	362.20	9.35	-45.53
CCCN1C=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640507	0	46	0.0	-56.69	351.41	7.93	-48.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(F)C(OC(F)(F)F)=C2)C1	REAL300005640508	0	44	0.0	-52.33	357.93	7.77	-44.56
CCC(C)N1N=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640509	0	49	0.0	-48.59	357.60	8.35	-40.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC3=CC=C(F)C=C32)C1	REAL300005640510	0	45	0.0	-56.89	353.05	8.44	-48.45
COC1=C(Br)C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640511	0	44	0.0	-53.65	356.63	8.25	-45.40
C[C@H](CC(F)(F)F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640512	0	42	0.0	-67.02	320.32	7.28	-59.74
CC1=C(O)C=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005640513	0	47	0.0	-53.45	350.17	6.32	-47.13
CCC(=O)N1CSC[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640514	0	48	0.0	-57.15	360.80	8.21	-48.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]3[C@H](C2)C3(F)F)C1	REAL300005640515	0	44	0.0	-51.37	331.67	8.43	-42.94
CC(C)OC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Cl	REAL300005640516	0	50	0.0	-53.83	389.50	9.29	-44.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C=C(C4=CC=CC=C4)NC3=C2)C1	REAL300005640517	0	54	0.0	-55.03	414.07	11.44	-43.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCN2CC2=CC=CC(F)=C2)C1	REAL300005640518	0	58	0.0	-51.87	428.54	9.79	-42.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCCC3)O2)C1	REAL300005640519	0	47	0.0	-54.40	350.78	8.93	-45.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CNN=C3)C=C2)C1	REAL300005640520	0	47	0.0	-74.69	361.78	7.86	-66.83
CC1=CC(F)=CC=C1C(O)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640521	0	47	0.0	-51.45	349.96	6.93	-44.52
COCC1=NOC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640522	0	43	0.0	-51.36	330.43	5.72	-45.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CC23CCOCC3)C1	REAL300005640523	0	49	0.0	-66.08	367.63	7.17	-58.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCO[C@H]2C2=CC=CN=C2)C1	REAL300005640524	0	50	0.0	-53.74	372.53	7.03	-46.71
COC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=NC=CC=C2C=C1	REAL300005640525	0	49	0.0	-60.39	380.08	7.88	-52.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CC23CCC3)C1	REAL300005640526	0	45	0.0	-61.63	332.77	8.64	-52.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CC3(CCC3)C2)C1	REAL300005640527	0	50	0.0	-55.85	358.43	9.68	-46.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(F)(F)C2=CC=CN=C2)C1	REAL300005640528	0	42	0.0	-56.98	332.74	7.09	-49.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(C2)CCOC3)C1	REAL300005640529	0	48	0.0	-52.10	352.61	7.02	-45.08
COCC1(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCOCC1	REAL300005640530	0	54	0.0	-51.46	381.01	6.27	-45.19
CCC(O)(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005640531	0	50	0.0	-66.03	364.99	7.02	-59.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3CCCC3=N2)C1	REAL300005640532	0	46	0.0	-55.19	345.70	8.77	-46.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=CC=N3)C=C2)C1	REAL300005640533	0	50	0.0	-55.81	390.16	8.25	-47.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=C2CCCC3)C1	REAL300005640534	0	47	0.0	-48.88	346.09	9.26	-39.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(C)(C)C)=NO2)C1	REAL300005640535	0	48	0.0	-56.95	363.84	7.98	-48.97
CCC1(CC)CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005640536	0	52	0.0	-48.61	356.02	9.41	-39.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C2Cl)OCO3)C1	REAL300005640537	0	43	0.0	-49.49	342.49	7.60	-41.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC3=C(C(F)(F)F)C=CC=C23)C1	REAL300005640538	0	48	0.0	-57.76	380.24	9.14	-48.62
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C2CCCCN21	REAL300005640539	0	56	0.0	-55.51	401.28	10.10	-45.41
CC1=NC2=NC=NN2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640540	0	44	0.0	-62.90	348.25	9.53	-53.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1	REAL300005640541	0	50	0.0	-49.77	354.84	9.28	-40.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=N2)C1	REAL300005640542	0	46	0.0	-51.90	345.10	8.55	-43.35
CC1=CC(C2CCC2)=NC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640543	0	52	0.0	-56.22	385.75	9.17	-47.05
CC(=O)N1CSC[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640544	0	45	0.0	-55.13	345.99	7.42	-47.71
COC1=CC=CC2=C1CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CO2	REAL300005640545	0	52	0.0	-70.13	389.25	8.03	-62.10
CC(C)[C@@H]1C[C@H](CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C21	REAL300005640546	0	59	0.0	-51.02	425.94	12.34	-38.68
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=CC=C1F	REAL300005640547	0	47	0.0	-47.37	356.44	9.52	-37.85
COC1=CC=NC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640548	0	43	0.0	-51.03	324.69	6.03	-45.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3CCNC(=O)C3=C2)C1	REAL300005640549	0	45	0.0	-58.20	347.25	3.87	-54.33
CC1=CC2=NC=CN=C2C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640550	0	47	0.0	-58.70	360.32	6.92	-51.78
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=CC=C1Cl	REAL300005640551	0	47	0.0	-47.02	365.14	9.93	-37.09
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=C(F)C=C3)C(=O)CC2)C1	REAL300005640552	0	51	0.0	-57.64	393.95	9.64	-48.00
CC1=CC=C(N2N=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2=O)C=C1	REAL300005640553	0	54	0.0	-59.27	408.94	10.26	-49.01
CC1=C(C)OC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640554	0	48	0.0	-55.94	369.07	5.81	-50.13
COCCOCCN1C=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640555	0	54	0.0	-57.86	419.07	6.45	-51.41
COCCOCCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640556	0	54	0.0	-49.22	407.45	6.31	-42.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CCC3=CC=CC=C3)C=C2)C1	REAL300005640557	0	56	0.0	-52.97	430.85	13.20	-39.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCC3=NNC2=O)C1	REAL300005640558	0	46	0.0	-60.86	348.63	5.36	-55.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CSC=C3)N=C2)C1	REAL300005640559	0	46	0.0	-52.62	360.96	9.06	-43.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C[C@@H]2CCC[C@H](C3CC3)O2)C1	REAL300005640560	0	54	0.0	-47.35	390.36	10.83	-36.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(CC2CCCCC2)C2=CC=CC=C2)C1	REAL300005640561	0	62	0.0	-50.55	444.09	12.94	-37.61
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C1=CC=CC=C1Cl	REAL300005640562	0	52	0.0	-50.94	396.87	10.88	-40.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC3CCC3)C=C2)C1	REAL300005640563	0	53	0.0	-51.93	396.40	11.43	-40.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC3=CC=CN=C3C=C2)C1	REAL300005640564	0	49	0.0	-57.07	380.48	9.79	-47.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)C1	REAL300005640565	0	57	0.0	-67.89	400.26	7.94	-59.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(C)(C)OC(C)(C)C2)C1	REAL300005640566	0	56	0.0	-49.97	396.93	8.63	-41.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23OC4C5COCC4C2C53)C1	REAL300005640567	0	48	0.0	-69.68	351.23	6.26	-63.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCO3)CCOCC2)C1	REAL300005640568	0	55	0.0	-48.71	364.12	5.99	-42.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C2=CC=CC=C2)C1	REAL300005640569	0	57	0.0	-49.66	396.24	11.56	-38.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(O)=CC(Br)=C2)C1	REAL300005640570	0	44	0.0	-52.65	362.86	6.69	-45.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCC2=CC=CC(O)=C2)C1	REAL300005640571	0	53	0.0	-53.80	405.96	8.44	-45.36
CC1=NC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)S1	REAL300005640572	0	42	0.0	-52.64	337.39	6.92	-45.72
CCC1=NC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640573	0	44	0.0	-52.92	353.43	7.64	-45.28
CC1=CC2=C(C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N2)S1	REAL300005640574	0	44	0.0	-47.36	342.36	8.73	-38.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC(C)(C2)OC3(C)C)C1	REAL300005640575	0	51	0.0	-48.73	358.91	7.13	-41.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)N2C=NN=N2)C1	REAL300005640576	0	44	0.0	-63.19	323.24	6.19	-57.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CN=CN=C2)C1	REAL300005640577	0	47	0.0	-51.80	335.09	8.15	-43.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCO3)CCCC2)C1	REAL300005640578	0	54	0.0	-52.14	373.60	8.06	-44.08
COCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC=CC1	REAL300005640579	0	48	0.0	-50.18	348.73	6.83	-43.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=C2CSC3)C1	REAL300005640580	0	42	0.0	-47.67	327.94	8.15	-39.52
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640581	0	61	0.0	-51.72	443.81	12.39	-39.33
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C1=CC=C(Cl)C=C1	REAL300005640582	0	50	0.0	-50.10	391.04	10.51	-39.59
CC1=CC=C2OC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005640583	0	46	0.0	-55.08	355.89	9.09	-45.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3SCCCC3=C2)C1	REAL300005640584	0	48	0.0	-54.20	368.36	10.08	-44.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3SCCCCC3=C2)C1	REAL300005640585	0	51	0.0	-53.88	385.51	10.69	-43.19
CC(C)=CCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1F	REAL300005640586	0	53	0.0	-52.55	402.27	11.24	-41.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C(Cl)S3)N2)C1	REAL300005640587	0	41	0.0	-51.34	343.22	8.06	-43.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(C3=CC=CN=C3)=N2)C1	REAL300005640588	0	47	0.0	-54.61	358.05	8.56	-46.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=CC=CC=C3N=C2)C1	REAL300005640589	0	48	0.0	-55.29	371.72	9.28	-46.01
CC1=CC=C2C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=COC2=C1	REAL300005640590	0	46	0.0	-55.24	355.87	9.08	-46.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=NC(C(C)(C)C)=N2)C1	REAL300005640591	0	50	0.0	-55.47	384.59	6.51	-48.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=CS3)N2CC2CC2)C1	REAL300005640592	0	51	0.0	-50.95	390.70	11.48	-39.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC(Cl)=C3)C=C2)C1	REAL300005640593	0	50	0.0	-52.81	396.81	11.85	-40.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3CC3(F)F)C=C2)C1	REAL300005640594	0	44	0.0	-59.99	350.97	8.01	-51.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CC2(C2=CC=C(F)C=C2)CC3)C1	REAL300005640595	0	54	0.0	-50.60	397.45	11.69	-38.91
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Br	REAL300005640596	0	46	0.0	-51.51	365.75	9.79	-41.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(=O)NC(C3=CC=CC=C3)=C2)C1	REAL300005640597	0	50	0.0	-58.20	383.89	9.07	-49.13
COCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC=C1	REAL300005640598	0	44	0.0	-53.62	338.84	5.95	-47.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=CC(F)=CC(F)=C23)C1	REAL300005640599	0	43	0.0	-52.49	344.32	8.51	-43.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CCCF)N=N2)C1	REAL300005640600	0	45	0.0	-64.55	353.65	6.59	-57.96
CCN1C=C(OC2=CN=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=N2)C=N1	REAL300005640601	0	52	0.0	-57.17	405.37	6.64	-50.53
CN1N=CC2=C1SC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)=C2	REAL300005640602	0	43	0.0	-50.12	338.94	7.46	-42.66
COC1=CC=CC=C1N1C=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640603	0	51	0.0	-58.25	394.75	10.54	-47.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCOCC3)N=C2)C1	REAL300005640604	0	52	0.0	-56.55	391.68	6.56	-49.99
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(Br)=C1C	REAL300005640605	0	46	0.0	-49.76	357.01	10.15	-39.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3C=CCC(C3)C2)C1	REAL300005640606	0	51	0.0	-50.29	334.36	9.85	-40.44
COC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640607	0	43	0.0	-54.89	330.09	5.39	-49.50
CC(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C1=CC=CC=C1	REAL300005640608	0	59	0.0	-57.48	441.23	11.88	-45.60
CC1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)CC1	REAL300005640609	0	58	0.0	-71.39	414.15	10.09	-61.30
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640610	0	51	0.0	-55.95	373.49	7.49	-48.46
COC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1F	REAL300005640613	0	50	0.0	-57.47	381.59	8.63	-48.84
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CC(F)(F)C1	REAL300005640614	0	47	0.0	-51.96	357.47	7.88	-44.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2CCCOC2)C1	REAL300005640615	0	48	0.0	-47.85	352.42	7.06	-40.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COCC2=NC(C3CC3)=NO2)C1	REAL300005640616	0	49	0.0	-56.59	387.97	6.45	-50.14
CN1CCC2=CC(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005640617	0	52	0.0	-52.73	391.32	8.75	-43.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(C)(C(C)(C)C)C2)C1	REAL300005640618	0	55	0.0	-49.79	383.61	9.64	-40.15
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C	REAL300005640619	0	49	0.0	-56.53	375.09	7.92	-48.61
CCS(=O)(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640620	0	51	0.0	-69.96	399.82	5.47	-64.49
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005640621	0	47	0.0	-51.58	371.47	7.61	-43.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=CC=C2C(F)(F)F)C1	REAL300005640622	0	47	0.0	-57.64	354.98	7.05	-50.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300005640623	0	44	0.0	-49.62	364.88	7.60	-42.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C(F)F)C1	REAL300005640624	0	43	0.0	-45.70	328.58	9.19	-36.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CN=C3)=NO2)C1	REAL300005640625	0	45	0.0	-53.79	350.74	7.72	-46.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2CCCCCC2)C1	REAL300005640626	0	53	0.0	-46.96	361.24	7.82	-39.14
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1CC	REAL300005640627	0	49	0.0	-64.80	370.91	7.76	-57.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC(F)=CC(F)=C2)C1	REAL300005640628	0	44	0.0	-52.75	345.81	6.77	-45.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C2=CC=CC=C2)C(F)F)C1	REAL300005640629	0	49	0.0	-53.05	374.33	10.30	-42.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3CCOCC3=C2)C1	REAL300005640630	0	48	0.0	-52.97	358.03	7.94	-45.03
CCOCC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005640631	0	46	0.0	-52.09	361.45	6.96	-45.13
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1C1CCOC1	REAL300005640632	0	50	0.0	-65.57	376.23	5.60	-59.97
CC1=NN=C(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N1C	REAL300005640633	0	48	0.0	-61.51	367.32	8.56	-52.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=NN=NN3C2)C1	REAL300005640634	0	45	0.0	-60.37	340.28	5.88	-54.49
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=CC(Cl)=C1	REAL300005640635	0	47	0.0	-48.16	367.91	10.01	-38.15
CC1=C(C)NC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640636	0	49	0.0	-57.21	372.97	7.53	-49.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC(Cl)=CC=C3F)CCC2)C1	REAL300005640637	0	50	0.0	-44.79	367.36	11.19	-33.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC(F)=CC=C3F)CCC2)C1	REAL300005640638	0	50	0.0	-45.34	356.99	10.74	-34.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=NN=C2C2CC2)C1	REAL300005640639	0	45	0.0	-57.98	352.45	6.79	-51.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(N3C=NN=N3)CCSCC2)C1	REAL300005640640	0	52	0.0	-59.53	383.95	8.42	-51.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(N)=O)C(Cl)=C2)C1	REAL300005640641	0	44	0.0	-56.95	352.73	5.19	-51.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=NC3=CC=CC=C3N=C2)C1	REAL300005640642	0	48	0.0	-58.48	378.13	8.11	-50.37
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640643	0	53	0.0	-54.06	411.64	8.40	-45.66
CN1N=CC=C1C1=NNC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640644	0	47	0.0	-56.59	361.68	5.20	-51.39
CC1=CC=C(C(=O)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640645	0	45	0.0	-63.27	353.94	8.58	-54.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(=O)C2=CC=C(Cl)C=C2)C1	REAL300005640646	0	42	0.0	-57.02	349.27	8.43	-48.59
CCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C2C(=N1)ON=C2C(C)C	REAL300005640647	0	56	0.0	-60.84	424.64	7.66	-53.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=NC=N2)C1	REAL300005640648	0	42	0.0	-56.71	331.70	7.71	-49.00
CC(C)C1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CO1	REAL300005640649	0	45	0.0	-54.56	345.39	5.83	-48.73
CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCOCC1	REAL300005640650	0	53	0.0	-51.48	372.47	7.87	-43.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC(OC(C)(C)C)C23CCC3)C1	REAL300005640651	0	63	0.0	-50.43	450.96	10.82	-39.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=C(F)C=C(F)C=C23)C1	REAL300005640652	0	43	0.0	-53.42	347.33	8.55	-44.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC(CC(F)(F)F)=N2)C1	REAL300005640653	0	42	0.0	-51.63	346.42	8.09	-43.54
CCC1=CC=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=C21	REAL300005640654	0	51	0.0	-54.48	382.56	10.45	-44.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3(C(F)(F)F)CC3)C=C2)C1	REAL300005640655	0	50	0.0	-70.46	387.45	11.12	-59.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCS(=O)(=O)CC2)C1	REAL300005640656	0	49	0.0	-57.90	351.29	4.21	-53.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C(C)(F)F)C1	REAL300005640657	0	46	0.0	-46.95	342.80	9.76	-37.19
C=CCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC=CC1	REAL300005640658	0	48	0.0	-49.67	348.43	8.93	-40.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CON=C2C2CCC2)C1	REAL300005640659	0	46	0.0	-53.40	349.98	8.18	-45.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=NC(C4CC4)=NS3)C=N2)C1	REAL300005640660	0	49	0.0	-55.87	399.36	11.29	-44.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(F)CC2CCCC2)C1	REAL300005640661	0	49	0.0	-51.27	360.77	9.31	-41.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(C)(C)C2C(F)(F)F)C1	REAL300005640662	0	49	0.0	-50.89	368.33	9.06	-41.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=C(F)C=C3)CCCC2)C1	REAL300005640663	0	56	0.0	-51.53	405.71	11.35	-40.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCCC2CC(=O)CC3)C1	REAL300005640664	0	52	0.0	-52.25	358.23	8.19	-44.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCO3)CC2)C1	REAL300005640665	0	48	0.0	-52.86	352.74	7.46	-45.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=C(F)C=C3)CCCCO2)C1	REAL300005640666	0	57	0.0	-50.87	406.45	11.40	-39.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(C2)CCCO3)C1	REAL300005640667	0	48	0.0	-48.70	338.45	7.21	-41.49
C[C@@H](CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005640668	0	52	0.0	-51.81	404.26	11.20	-40.61
C[C@@H](CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C2OCOC2=C1	REAL300005640669	0	52	0.0	-55.42	383.72	9.02	-46.40
COCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CCC1	REAL300005640670	0	48	0.0	-48.18	343.90	7.42	-40.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CCCCO2)C1	REAL300005640671	0	47	0.0	-59.37	340.40	6.99	-52.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCO[C@H]2C2=CC=C(F)C=C2)C1	REAL300005640672	0	51	0.0	-51.18	384.15	8.90	-42.28
CC1=NN(C(C)C)C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640673	0	52	0.0	-54.70	389.69	9.00	-45.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CON=C2C2CCCO2)C1	REAL300005640674	0	47	0.0	-56.19	359.72	6.33	-49.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCC3(CCC3)O2)C1	REAL300005640675	0	54	0.0	-50.51	389.96	9.70	-40.81
COC1C[C@@H]2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C[C@H]12	REAL300005640676	0	51	0.0	-46.62	360.86	8.41	-38.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2COCCN2CC(F)(F)F)C1	REAL300005640677	0	52	0.0	-52.97	388.87	5.45	-47.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2CCC3=CC=CC=C32)C1	REAL300005640678	0	47	0.0	-56.85	347.21	10.15	-46.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC23CCC(CC2)C3(C)C)C1	REAL300005640679	0	56	0.0	-48.85	382.65	10.17	-38.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=C(C3CCOC3)C=N2)C1	REAL300005640680	0	51	0.0	-53.06	379.99	7.12	-45.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CN=C3NC=C2)C1	REAL300005640681	0	43	0.0	-62.87	330.81	7.98	-54.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CNC3=NC=C2)C1	REAL300005640681	1	43	0.0	-53.06	327.32	7.75	-45.31
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C2O1	REAL300005640682	0	46	0.0	-54.61	353.43	9.03	-45.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3(CCC3)CC2)C1	REAL300005640683	0	53	0.0	-68.73	366.87	10.41	-58.32
CCC1=CC2=C(OCC2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640684	0	51	0.0	-53.48	382.58	9.24	-44.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CSC3=CC=C2)C1	REAL300005640685	0	43	0.0	-48.54	336.04	9.74	-38.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)C=C2)C1	REAL300005640686	0	50	0.0	-56.86	406.76	10.08	-46.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(F)(F)F)=CS2)C1	REAL300005640687	0	40	0.0	-51.01	335.01	7.88	-43.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OCC3CC3)=C2)C1	REAL300005640688	0	51	0.0	-52.65	387.57	9.66	-42.99
CSC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(Cl)=C1	REAL300005640689	0	44	0.0	-46.97	356.52	9.93	-37.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(C)(F)F)=C2)C1	REAL300005640690	0	46	0.0	-53.00	358.04	9.40	-43.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C=CSC3=C2)C1	REAL300005640691	0	43	0.0	-47.07	335.41	9.72	-37.35
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=NN2C)=N1	REAL300005640692	0	50	0.0	-56.06	386.86	6.59	-49.47
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=CO1	REAL300005640693	0	46	0.0	-51.27	349.91	8.90	-42.37
CC1=NC=C2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2=N1	REAL300005640694	0	51	0.0	-54.93	381.84	8.46	-46.47
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)(F)F)=CO1	REAL300005640695	0	46	0.0	-53.37	371.27	8.69	-44.68
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(C)=N1	REAL300005640696	0	46	0.0	-52.72	349.26	5.76	-46.96
CC1=CN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)N=C1	REAL300005640697	0	53	0.0	-57.22	411.58	10.25	-46.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCCC2CCC3)C1	REAL300005640698	0	50	0.0	-50.12	345.90	8.91	-41.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2OCCC[C@@H]2C2=CC=CC=C2)C1	REAL300005640699	0	54	0.0	-46.56	372.37	10.48	-36.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2OCCC[C@H]2C2=CC=CC=C2)C1	REAL300005640700	0	54	0.0	-46.75	388.48	9.45	-37.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C)CCCNS2(=O)=O)C1	REAL300005640701	0	48	0.0	-50.57	344.06	3.41	-47.16
CCC1=NC=C2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2=N1	REAL300005640702	0	54	0.0	-54.83	403.33	9.06	-45.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(Br)S2)C1	REAL300005640703	0	43	0.0	-51.65	363.84	9.54	-42.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2COCCO2)C1	REAL300005640704	0	45	0.0	-52.49	335.49	5.86	-46.63
COCCC(C)(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640705	0	52	0.0	-51.41	371.61	7.39	-44.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C)(C)C(C)(F)F)C1	REAL300005640706	0	48	0.0	-53.44	347.46	8.39	-45.05
CC1=CC2=C(C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N2CC2CC2)S1	REAL300005640707	0	54	0.0	-55.99	420.55	11.78	-44.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC=CBr)C1	REAL300005640708	0	40	0.0	-50.83	326.31	7.98	-42.85
CN1C=CC(C23CC(CC2)C3C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640709	0	54	0.0	-48.19	394.22	9.95	-38.24
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C)C=N1	REAL300005640710	0	45	0.0	-54.88	342.61	7.39	-47.49
CC1=CC(F)=CC(C(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640711	0	49	0.0	-49.12	373.75	9.99	-39.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C2=CC=CC=C2F)C(F)F)C1	REAL300005640712	0	49	0.0	-52.88	379.38	10.32	-42.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=CC=NN32)C1	REAL300005640713	0	47	0.0	-49.99	338.18	7.98	-42.01
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640714	0	46	0.0	-56.42	369.37	6.94	-49.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300005640715	0	47	0.0	-53.78	364.61	10.07	-43.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3CCCC3=C2)C1	REAL300005640716	0	46	0.0	-48.08	339.95	8.49	-39.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2C(F)F)C1	REAL300005640717	0	47	0.0	-54.17	369.43	9.82	-44.35
CCOC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)SC2=NC=C1	REAL300005640718	0	49	0.0	-52.80	382.61	8.12	-44.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2OCCC2(C)C)C1	REAL300005640719	0	50	0.0	-44.82	354.57	8.35	-36.47
CC1=NC(C2CC2)=NC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640720	0	48	0.0	-52.31	362.16	8.63	-43.68
CCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=N1	REAL300005640721	0	47	0.0	-51.95	353.13	7.55	-44.40
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640722	0	55	0.0	-53.03	405.49	7.66	-45.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3CC2C2C3C2(F)F)C1	REAL300005640723	0	48	0.0	-47.90	341.96	9.67	-38.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3CC2(C2=CN=CS2)CC3)C1	REAL300005640724	0	50	0.0	-51.59	381.90	8.99	-42.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3(CC2)COCCO3)C1	REAL300005640725	0	55	0.0	-46.73	384.49	7.90	-38.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=CS2)CC3)C1	REAL300005640726	0	51	0.0	-51.17	388.67	10.89	-40.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3CCNS(=O)(=O)C3=C2)C1	REAL300005640727	0	46	0.0	-60.53	363.81	1.61	-58.92
CC1=NN(C2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640728	0	50	0.0	-57.20	382.89	10.11	-47.09
CC1=NC=NC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640729	0	44	0.0	-57.23	339.80	7.12	-50.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=C(F)C=CC=C3Cl)CCC2)C1	REAL300005640730	0	50	0.0	-45.57	371.49	10.87	-34.70
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640731	0	54	0.0	-53.74	392.69	9.09	-44.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC(C)(C2)OC32CCC2)C1	REAL300005640732	0	52	0.0	-73.39	366.26	7.79	-65.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC(C)(C2)OC32CCOCC2)C1	REAL300005640733	0	56	0.0	-76.19	389.47	6.55	-69.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1	REAL300005640734	0	47	0.0	-50.44	348.98	9.07	-41.37
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NC(C)=N1	REAL300005640735	0	44	0.0	-54.67	338.69	7.33	-47.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC3=CC=C(F)C=C32)C1	REAL300005640736	0	43	0.0	-69.39	337.71	7.22	-62.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=C(F)C=CC3=NN2)C1	REAL300005640736	1	43	0.0	-57.35	341.98	6.77	-50.58
CC1=COC(C(C)C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640737	0	49	0.0	-50.10	371.72	9.52	-40.58
COC1=CC=C(C23CC(CC2)C3C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640738	0	58	0.0	-52.23	420.54	10.92	-41.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCOCC3)CCOCC2)C1	REAL300005640739	0	58	0.0	-46.25	366.05	6.33	-39.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300005640740	0	47	0.0	-48.98	357.84	10.55	-38.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=NN2C2CC2)C1	REAL300005640741	0	43	0.0	-57.28	328.55	5.82	-51.46
CCC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Cl	REAL300005640742	0	46	0.0	-56.93	371.71	7.60	-49.33
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=CC(F)=C2)C1	REAL300005640743	0	44	0.0	-51.91	355.47	9.51	-42.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C(Br)O3)N2)C1	REAL300005640744	0	41	0.0	-47.70	332.63	7.66	-40.04
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640745	0	51	0.0	-60.26	384.34	8.94	-51.32
CCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=N1	REAL300005640746	0	50	0.0	-58.09	382.96	7.69	-50.40
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)(F)F)=CO1	REAL300005640747	0	49	0.0	-47.71	386.13	9.86	-37.85
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)(F)F)=CO1	REAL300005640748	0	46	0.0	-52.56	368.86	9.30	-43.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CC3)=NNC2=O)C1	REAL300005640749	0	46	0.0	-57.68	361.20	5.84	-51.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCCO3)CC2)C1	REAL300005640750	0	51	0.0	-69.04	372.34	8.21	-60.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=C(F)C=C3)CCCO2)C1	REAL300005640751	0	54	0.0	-51.50	400.98	10.35	-41.15
CC1=CC(C)=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC2=C1	REAL300005640752	0	50	0.0	-47.50	372.98	10.17	-37.33
CC1=NC2=C(NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)S1	REAL300005640753	0	43	0.0	-54.78	343.02	6.28	-48.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC3=C2COC3(C)C)C1	REAL300005640754	0	48	0.0	-54.43	362.87	5.53	-48.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3COC(C)(C)C3=NN2)C1	REAL300005640754	1	48	0.0	-53.43	361.00	5.59	-47.84
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CN=CC=N2)C1	REAL300005640755	0	42	0.0	-55.95	331.57	6.05	-49.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CCOCC3)=NN2)C1	REAL300005640756	0	51	0.0	-54.33	379.10	6.10	-48.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300005640757	0	50	0.0	-50.66	365.18	8.79	-41.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC3=C2CC(F)(F)CC3)C1	REAL300005640758	0	46	0.0	-57.95	355.02	8.61	-49.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCN2C=CC3=CC=CN=C32)C1	REAL300005640759	0	49	0.0	-57.40	379.66	10.09	-47.31
CCCC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005640760	0	45	0.0	-49.55	348.92	8.48	-41.07
CC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1Cl	REAL300005640761	0	43	0.0	-56.56	350.18	6.86	-49.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(C)(C)C)N2)C1	REAL300005640762	0	50	0.0	-50.95	371.57	8.56	-42.39
COC1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=N1	REAL300005640763	0	47	0.0	-53.05	357.50	6.61	-46.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC(C(C)(C)C)=N2)C1	REAL300005640764	0	49	0.0	-52.08	362.06	8.41	-43.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C(C)(C)C)N2)C1	REAL300005640764	1	49	0.0	-51.95	366.89	7.61	-44.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCC3=CC=CC=C32)C1	REAL300005640765	0	47	0.0	-51.37	353.42	9.89	-41.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3CCOC3=C2)C1	REAL300005640766	0	45	0.0	-51.65	335.52	8.24	-43.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2C[C@@H]3COC[C@H]23)C1	REAL300005640767	0	48	0.0	-50.49	344.26	7.46	-43.03
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640768	0	53	0.0	-55.40	406.11	11.60	-43.80
COC1=CC=C(C(C)=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640769	0	51	0.0	-53.42	388.81	9.55	-43.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=CC(Cl)=C2)C1	REAL300005640770	0	44	0.0	-51.49	365.79	9.95	-41.54
COCC1=CN=C(OC)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640771	0	50	0.0	-55.12	389.11	4.65	-50.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=NC(C3CC3)=N2)C1	REAL300005640772	0	45	0.0	-55.90	354.24	6.42	-49.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3OC=CC3=CC=C2Cl)C1	REAL300005640773	0	43	0.0	-55.99	353.10	8.85	-47.14
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(C2=CC=C(F)C=C2)S1	REAL300005640774	0	49	0.0	-56.08	400.99	9.73	-46.35
COC1=CC2=C(OCC2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640775	0	49	0.0	-55.11	371.75	7.06	-48.05
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=CC=C(F)C=C12	REAL300005640777	0	47	0.0	-52.36	363.18	9.09	-43.27
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640778	0	47	0.0	-54.98	371.59	10.00	-44.98
C[C@H](C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C2OCOC2=C1	REAL300005640779	0	49	0.0	-52.92	370.21	7.97	-44.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)COC2CCN(S(C)(=O)=O)CC2)C1	REAL300005640780	0	55	0.0	-59.38	421.83	5.39	-53.99
CC1=CN(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)N=C1	REAL300005640781	0	50	0.0	-56.44	386.00	9.76	-46.68
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640782	0	49	0.0	-53.87	379.62	10.16	-43.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CC(F)=CC=C32)C1	REAL300005640783	0	46	0.0	-53.90	357.81	10.25	-43.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3OC=CC3=C2)C1	REAL300005640784	0	42	0.0	-55.29	321.49	5.59	-49.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CSC(Br)=C2)C1	REAL300005640785	0	43	0.0	-51.54	363.59	9.40	-42.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2C2CC2(F)F)C1	REAL300005640786	0	44	0.0	-51.12	342.51	8.05	-43.07
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(CC2=CC=CC=C2)N1	REAL300005640787	0	57	0.0	-55.13	436.34	11.52	-43.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2C[C@@H](OC(C)(C)C)C2)C1	REAL300005640788	0	53	0.0	-50.41	380.65	8.32	-42.09
CCC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1CCC1	REAL300005640789	0	52	0.0	-49.65	371.01	9.82	-39.83
CCOC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(C)C2=C1	REAL300005640790	0	54	0.0	-53.82	408.16	9.24	-44.58
CCC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(C)C2=C1	REAL300005640791	0	53	0.0	-53.56	399.94	10.40	-43.16
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=CC(C)=CC(C)=C21	REAL300005640792	0	53	0.0	-51.65	392.64	10.11	-41.54
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=CC=C(C(C)C)C=C21	REAL300005640793	0	56	0.0	-51.33	416.79	10.93	-40.40
COC1=CC=CC(Br)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640794	0	44	0.0	-54.26	358.90	7.93	-46.33
CC1=CC(CC2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2)=CC=C1F	REAL300005640795	0	53	0.0	-51.06	401.16	11.16	-39.90
CC1=CC(F)=CC=C1CC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005640796	0	53	0.0	-51.00	395.57	10.93	-40.07
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCC[C@@H]2C2=CC=C(F)C=C2)C1	REAL300005640797	0	53	0.0	-48.90	385.79	10.86	-38.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC4(C)CC(C)(CC(O)(C4)C2)C3)C1	REAL300005640798	0	61	0.0	-74.41	406.12	7.20	-67.21
CC1=NC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640799	0	46	0.0	-52.98	352.05	8.17	-44.81
CC1=CN=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640800	0	46	0.0	-53.45	352.20	8.19	-45.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=NC3=CC=CC=C23)C1	REAL300005640801	0	49	0.0	-55.10	378.09	9.73	-45.37
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640802	0	47	0.0	-54.98	371.59	10.00	-44.98
CC(=CC1=CC=CS1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640803	0	44	0.0	-53.01	345.10	8.66	-44.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(S(N)(=O)=O)CC2)C1	REAL300005640804	0	51	0.0	-60.08	384.25	3.29	-56.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3F)=NO2)C1	REAL300005640805	0	46	0.0	-63.56	365.74	9.22	-54.34
COC1=CSC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1OC	REAL300005640806	0	45	0.0	-54.37	355.73	6.25	-48.12
CSC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC(Cl)=C1	REAL300005640807	0	47	0.0	-51.70	385.92	10.40	-41.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3CCC(C3)C2)C1	REAL300005640808	0	50	0.0	-52.25	333.94	8.77	-43.48
CC1=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005640809	0	48	0.0	-57.88	367.88	8.82	-49.06
COC1=C(F)C=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1F	REAL300005640810	0	44	0.0	-52.91	351.49	7.45	-45.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C3=COC=C3)=C2)C1	REAL300005640811	0	46	0.0	-54.91	359.32	7.71	-47.20
CC1=CC=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640812	0	45	0.0	-53.00	339.97	7.82	-45.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2C[C@H](N3C=CN=N3)C2)C1	REAL300005640813	0	46	0.0	-53.93	347.04	6.50	-47.43
CCCC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640814	0	52	0.0	-51.43	394.93	11.14	-40.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3F)=NN2)C1	REAL300005640815	0	47	0.0	-59.68	368.66	8.44	-51.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3=CC=CC=C3F)=C2)C1	REAL300005640815	1	47	0.0	-50.44	365.95	9.01	-41.43
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C1=CC=C(F)C=C1	REAL300005640816	0	52	0.0	-72.80	389.34	10.52	-62.28
C=CC1(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCOCC1	REAL300005640817	0	51	0.0	-50.21	358.16	7.37	-42.84
CCCCC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005640818	0	48	0.0	-49.76	370.41	9.26	-40.50
CN1C=CC(N2C=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2)=N1	REAL300005640819	0	47	0.0	-59.96	369.49	10.01	-49.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CNC3=CN=C2)C1	REAL300005640820	0	43	0.0	-54.20	324.38	6.52	-47.68
CC(=CC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640821	0	47	0.0	-52.61	364.33	9.93	-42.68
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=CC=C(C(F)(F)F)C=C12	REAL300005640822	0	50	0.0	-52.05	395.36	10.02	-42.03
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=C(C)C=CC=C12	REAL300005640823	0	50	0.0	-48.73	372.21	10.11	-38.62
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(C2=CC=CC=C2)N1	REAL300005640824	0	51	0.0	-55.12	387.79	9.98	-45.14
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C(C2=CC=CC=C2)N1	REAL300005640825	0	54	0.0	-55.50	410.57	10.73	-44.77
CCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N1	REAL300005640826	0	47	0.0	-51.04	354.75	8.30	-42.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CC(F)(F)F)C1	REAL300005640827	0	46	0.0	-48.81	354.73	10.27	-38.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCOC2CCOC3)C1	REAL300005640828	0	49	0.0	-50.67	341.93	5.07	-45.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2CC2)C2CCCO2)C1	REAL300005640829	0	51	0.0	-50.15	368.82	9.31	-40.84
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640830	0	49	0.0	-60.37	379.38	9.71	-50.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC(C)(C)OC(C)(C)C2)C1	REAL300005640831	0	59	0.0	-50.49	408.73	9.64	-40.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCN3C=NC=C3C2)C1	REAL300005640832	0	50	0.0	-55.18	369.13	9.86	-45.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCCCN2C=NN=N2)C1	REAL300005640833	0	50	0.0	-59.89	385.96	8.44	-51.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(CC(F)(F)F)C2=CC=CC=C2)C1	REAL300005640834	0	49	0.0	-53.44	381.14	10.17	-43.27
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC(F)=CC=C21	REAL300005640835	0	46	0.0	-51.01	356.20	9.06	-41.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=C2CS(=O)(=O)C3)C1	REAL300005640836	0	44	0.0	-59.14	352.31	3.92	-55.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CCOC3)C=C2)C1	REAL300005640837	0	51	0.0	-48.60	376.00	9.07	-39.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC3=C2CCCC3)C1	REAL300005640838	0	49	0.0	-51.73	355.10	9.05	-42.68
CC1=CC=CN2N=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C12	REAL300005640839	0	46	0.0	-55.87	344.63	8.83	-47.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C3=CC=CC=C3F)=C2)C1	REAL300005640840	0	49	0.0	-55.54	385.85	9.66	-45.88
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=CC(C)=CC=C21	REAL300005640841	0	50	0.0	-51.50	378.14	9.68	-41.82
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300005640842	0	49	0.0	-54.72	385.17	9.62	-45.10
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=CC(Cl)=CC=C12	REAL300005640843	0	47	0.0	-55.05	379.05	9.01	-46.04
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=CC(F)=CC=C12	REAL300005640844	0	47	0.0	-50.89	363.18	9.09	-41.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CN=NN32)C1	REAL300005640845	0	42	0.0	-63.05	319.10	7.23	-55.82
CC1=C2N=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CN2N=C1	REAL300005640846	0	45	0.0	-57.34	349.01	8.33	-49.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3SN=CC3=CC=C2)C1	REAL300005640847	0	42	0.0	-47.99	332.82	8.61	-39.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3SC=CC3=C(F)C=C2)C1	REAL300005640848	0	43	0.0	-53.37	348.76	9.34	-44.03
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C1=CC=CC=C1	REAL300005640849	0	53	0.0	-53.29	401.69	11.97	-41.32
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640850	0	53	0.0	-54.69	397.81	11.96	-42.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=C(Br)C=CC=C23)C1	REAL300005640851	0	43	0.0	-55.60	355.80	9.04	-46.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC3=C2C[C@H]2C[C@@H]32)C1	REAL300005640852	0	45	0.0	-56.29	341.12	7.55	-48.74
COC1=CC(OC)=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640853	0	48	0.0	-49.21	372.64	7.54	-41.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC2C2=CC=C(Cl)C(Cl)=C2)C1	REAL300005640854	0	50	0.0	-51.84	405.03	11.59	-40.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=C2N=CS3)C1	REAL300005640855	0	46	0.0	-51.01	341.95	8.55	-42.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(N3C=NC=N3)CC2)C1	REAL300005640856	0	43	0.0	-58.66	335.31	9.00	-49.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C3C=CC(C3)C2C2=CC=CC=C2)C1	REAL300005640857	0	55	0.0	-45.24	373.06	11.96	-33.28
CC1=CC=CN=C1C=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640858	0	46	0.0	-56.54	354.36	8.42	-48.12
CCC1=CSC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640859	0	43	0.0	-47.43	330.37	8.92	-38.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC3=CC=CC=C3)C=N2)C1	REAL300005640860	0	52	0.0	-56.24	403.01	11.42	-44.82
CC1=CC(C)=NC(N2CCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2)=N1	REAL300005640861	0	59	0.0	-75.71	436.92	10.10	-65.61
COC1=CC=C2NN=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=C1	REAL300005640862	0	47	0.0	-50.95	355.18	6.95	-44.00
COC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NN=C2C=C1	REAL300005640862	1	47	0.0	-56.83	361.67	6.23	-50.60
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C([N+](=O)[O-])=C1	REAL300005640863	0	45	0.0	-46.98	346.56	10.56	-36.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C(F)(F)F)S2)C1	REAL300005640864	0	39	0.0	-52.84	331.25	6.18	-46.66
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NNC1=O	REAL300005640865	0	42	0.0	-57.41	323.97	4.95	-52.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CC=CN3N=N2)C1	REAL300005640866	0	42	0.0	-66.31	326.60	6.86	-59.45
COC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C(C)C2=C1	REAL300005640867	0	51	0.0	-53.89	386.30	8.31	-45.58
CC1CCC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1C	REAL300005640868	0	55	0.0	-45.12	375.69	10.57	-34.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=CC3=NC=CC=C32)C1	REAL300005640869	0	44	0.0	-58.10	339.34	6.92	-51.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(C)(C)C)C=C2[N+](=O)[O-])C1	REAL300005640870	0	54	0.0	-46.11	401.26	12.22	-33.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(F)(F)CCN2C=CN=N2)C1	REAL300005640871	0	45	0.0	-58.64	356.13	6.47	-52.17
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640872	0	46	0.0	-53.32	353.28	9.17	-44.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(F)(F)CCN2C=CC=N2)C1	REAL300005640873	0	46	0.0	-56.41	362.32	7.69	-48.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CSC3=CN=CN32)C1	REAL300005640874	0	40	0.0	-56.75	326.67	8.31	-48.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(CN3CCOCC3)C=CO2)C1	REAL300005640875	0	53	0.0	-54.71	394.29	5.39	-49.32
CC1=NN=NN1C(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005640876	0	51	0.0	-55.62	392.76	8.63	-46.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN2C2=CN=CC=N2)C1	REAL300005640877	0	50	0.0	-52.21	368.85	5.62	-46.59
CC1=CC=C(C=CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640878	0	50	0.0	-52.09	382.98	10.92	-41.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2)C1	REAL300005640879	0	44	0.0	-52.25	339.34	9.42	-42.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CN=C3)N=N2)C1	REAL300005640880	0	45	0.0	-60.75	354.74	6.41	-54.34
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1CC1=CC=NC=C1	REAL300005640881	0	51	0.0	-64.41	392.32	7.27	-57.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=C(Br)SC=C2)C1	REAL300005640882	0	43	0.0	-51.99	360.98	9.29	-42.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(CC2=CC=CC=C2)C2CCCCC2)C1	REAL300005640883	0	62	0.0	-46.82	428.88	13.13	-33.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC(F)(F)F)C=N2)C1	REAL300005640884	0	43	0.0	-60.05	349.01	9.33	-50.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC3=C(Cl)C=CC=C23)C1	REAL300005640885	0	45	0.0	-56.57	360.68	8.75	-47.82
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640886	0	54	0.0	-54.31	401.93	11.45	-42.86
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640887	0	54	0.0	-53.77	402.01	11.46	-42.31
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640888	0	54	0.0	-52.65	423.40	9.71	-42.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(O)CCCCCC2)C1	REAL300005640889	0	50	0.0	-50.84	342.90	5.63	-45.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=C(Cl)C=C2)CC3)C1	REAL300005640890	0	54	0.0	-50.97	411.42	12.05	-38.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(=O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300005640891	0	42	0.0	-56.36	366.01	8.94	-47.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(S(N)(=O)=O)=CS2)C1	REAL300005640892	0	42	0.0	-56.86	350.70	1.75	-55.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C(C)(C)C)O2)C1	REAL300005640893	0	48	0.0	-48.22	359.59	6.14	-42.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3C(=O)NC=CC3=C2)C1	REAL300005640894	0	45	0.0	-62.08	352.54	5.35	-56.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC=C(F)C(F)=C2)C1	REAL300005640895	0	49	0.0	-56.17	361.16	9.54	-46.63
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640896	0	53	0.0	-51.30	399.45	9.86	-41.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C2)C1	REAL300005640897	0	45	0.0	-46.55	335.88	10.25	-36.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2Br)C1	REAL300005640898	0	47	0.0	-51.80	375.95	10.74	-41.06
COC1=CC=CC=C1N1N=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640899	0	51	0.0	-53.46	383.37	8.99	-44.47
COCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC=CCC1	REAL300005640900	0	51	0.0	-45.20	354.48	7.89	-37.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCOCC23CCCCC3)C1	REAL300005640901	0	57	0.0	-45.83	370.42	8.85	-36.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CC3CCC2CC3)C1	REAL300005640902	0	53	0.0	-45.73	357.81	9.81	-35.92
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=CC=C2F)=NO1	REAL300005640903	0	49	0.0	-61.33	382.66	10.43	-50.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CCOC2)C1	REAL300005640904	0	51	0.0	-51.58	369.68	8.01	-43.57
CC1=CC=C(C2CCCCC2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005640905	0	59	0.0	-50.58	430.18	12.40	-38.18
CCC1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCCC2=CC=CC=C21	REAL300005640906	0	56	0.0	-46.50	382.48	11.20	-35.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CC3)CCCO2)C1	REAL300005640907	0	48	0.0	-48.82	337.97	7.31	-41.51
CCC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)N1	REAL300005640908	0	52	0.0	-57.45	388.81	8.18	-49.27
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640909	0	62	0.0	-52.20	448.71	12.18	-40.02
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640910	0	50	0.0	-46.54	383.59	10.85	-35.69
CC1=CC=C(OC(C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1	REAL300005640911	0	53	0.0	-52.54	395.05	10.57	-41.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CC(Cl)=CC=C32)C1	REAL300005640912	0	46	0.0	-53.52	368.11	10.68	-42.84
CC(C)CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1	REAL300005640913	0	55	0.0	-50.87	404.22	11.23	-39.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCN3N=CN=C3C2)C1	REAL300005640914	0	46	0.0	-72.46	346.49	8.15	-64.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C3=CC=C(F)C=C3)=C2)C1	REAL300005640915	0	49	0.0	-53.79	380.94	9.60	-44.19
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=C(C2=NNC=N2)S1	REAL300005640916	0	45	0.0	-61.30	364.71	7.44	-53.86
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(CC3=CC=CC=C3)=CN2)C1	REAL300005640917	0	51	0.0	-52.29	393.12	10.70	-41.59
C=CCCC(CC(C)C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640918	0	55	0.0	-49.40	390.43	10.04	-39.36
C=CCC(CC(C)C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640919	0	52	0.0	-49.58	376.62	9.46	-40.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)C1	REAL300005640920	0	53	0.0	-61.19	410.61	10.44	-50.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CSC=C3)C=C2)C1	REAL300005640921	0	47	0.0	-60.68	362.28	10.83	-49.85
CC(C)COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)C	REAL300005640922	0	55	0.0	-50.68	397.25	9.45	-41.23
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC(Br)=CN=C3C2)C1	REAL300005640923	0	46	0.0	-53.66	365.39	8.62	-45.04
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=CC2=NN1	REAL300005640924	0	45	0.0	-59.50	348.30	6.29	-53.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(CC2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300005640925	0	56	0.0	-52.61	431.77	12.95	-39.66
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640926	0	56	0.0	-51.16	426.39	11.70	-39.46
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640927	0	58	0.0	-51.36	406.38	11.53	-39.83
CC1=CC2=CC=CN=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640928	0	48	0.0	-49.57	363.39	9.67	-39.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3N=CC=CN23)C1	REAL300005640929	0	42	0.0	-64.35	324.43	8.75	-55.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(Br)=CS2)C1	REAL300005640930	0	40	0.0	-50.38	342.38	8.67	-41.71
CC1OC2(C)CC1(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C2	REAL300005640931	0	48	0.0	-54.52	349.86	6.75	-47.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23COC(C=CC2)C3)C1	REAL300005640932	0	46	0.0	-52.14	329.24	6.46	-45.68
CN1C=C(C2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005640933	0	50	0.0	-53.59	379.75	9.18	-44.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CCC3)ON=C2)C1	REAL300005640934	0	46	0.0	-50.58	344.10	8.80	-41.78
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CN=C2C=C1	REAL300005640935	0	48	0.0	-57.87	368.71	8.85	-49.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(C3=CC=CC=C3)S2)C1	REAL300005640936	0	51	0.0	-55.04	407.56	12.21	-42.83
COCCN1C=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C21	REAL300005640937	0	54	0.0	-55.85	416.79	9.67	-46.18
C[C@@H](C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(F)C=C1	REAL300005640938	0	46	0.0	-46.32	343.72	9.79	-36.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2C[C@@H](C3=CC=CC=C3)C2)C1	REAL300005640939	0	50	0.0	-46.78	368.09	11.20	-35.58
CCC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC(F)(F)F	REAL300005640940	0	48	0.0	-50.90	355.80	8.77	-42.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23COC(C2)CCC3)C1	REAL300005640941	0	48	0.0	-50.03	333.51	6.55	-43.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCC(C)(C2)OC3)C1	REAL300005640942	0	48	0.0	-53.16	344.54	6.66	-46.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(CC2=CC=C(F)C=C2)C2=CC=CC=C2)C1	REAL300005640943	0	56	0.0	-53.47	431.82	12.96	-40.51
CC(C)N1C=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C21	REAL300005640944	0	53	0.0	-55.25	400.13	11.05	-44.20
CN(C)C1=CC=C(Br)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640945	0	48	0.0	-52.29	376.26	8.89	-43.40
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3CC(F)CC3=C2)C1	REAL300005640946	0	44	0.0	-51.78	332.76	7.73	-44.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCN(CCC2)S3(=O)=O)C1	REAL300005640947	0	49	0.0	-53.56	356.28	4.08	-49.48
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=CC(F)=CC(F)=C12	REAL300005640948	0	47	0.0	-51.88	367.55	9.09	-42.79
CC1=CC2=C(C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N2)O1	REAL300005640949	0	44	0.0	-49.41	332.86	7.75	-41.66
CC(C)C1=CNC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NC2=C1	REAL300005640950	0	52	0.0	-67.00	392.38	8.78	-58.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C(=C2)CCCS3(=O)=O)C1	REAL300005640952	0	50	0.0	-65.76	386.51	6.43	-59.33
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CC2=CC=CC=C21	REAL300005640953	0	49	0.0	-54.13	366.52	10.65	-43.48
COC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005640954	0	49	0.0	-55.07	378.32	6.49	-48.58
CC1=CC=CC([C@@H](C)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640955	0	49	0.0	-45.39	360.76	10.46	-34.93
COC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005640956	0	46	0.0	-52.50	345.32	5.70	-46.80
CN1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=C1C=CS2	REAL300005640957	0	44	0.0	-51.56	340.28	9.02	-42.54
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C1CCC1	REAL300005640958	0	50	0.0	-57.10	373.20	8.45	-48.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCCC3=CN2)C1	REAL300005640959	0	48	0.0	-50.32	351.74	8.73	-41.59
COCCOCC=CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640960	0	48	0.0	-53.49	371.82	5.79	-47.70
CN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=C1CCOC2	REAL300005640961	0	48	0.0	-57.56	360.51	6.29	-51.27
CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1C=NC=N1	REAL300005640962	0	45	0.0	-53.89	339.67	9.29	-44.60
CC1=NN(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=C1C	REAL300005640963	0	49	0.0	-52.79	363.93	8.06	-44.73
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C21	REAL300005640964	0	48	0.0	-54.12	384.88	6.97	-47.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(Cl)C=C3F)CC2)C1	REAL300005640965	0	47	0.0	-46.77	371.65	10.81	-35.96
CC1=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC=C1	REAL300005640966	0	43	0.0	-50.98	340.09	8.63	-42.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC(C(F)(F)F)=CO2)C1	REAL300005640967	0	43	0.0	-52.98	352.16	8.13	-44.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3(S(C)(=O)=O)CC3)=C2)C1	REAL300005640968	0	53	0.0	-59.40	418.92	7.44	-51.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3N=CC=C3C=C2)C1	REAL300005640969	0	43	0.0	-56.35	331.88	8.34	-48.01
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=NN=CN32)C1	REAL300005640970	0	46	0.0	-53.71	338.41	9.26	-44.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCC(C)(C)O2)C1	REAL300005640971	0	53	0.0	-51.34	379.34	8.99	-42.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2C=CC3=CC(F)=CC=C32)C1	REAL300005640972	0	47	0.0	-53.73	370.37	10.44	-43.29
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)SC2=C(C)S1	REAL300005640973	0	46	0.0	-50.41	370.38	10.33	-40.08
COC1=CC2=NC=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=C2C=C1	REAL300005640974	0	49	0.0	-58.78	375.26	7.61	-51.17
COC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CN=C1	REAL300005640975	0	46	0.0	-51.69	351.85	6.93	-44.76
CCSC1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005640976	0	53	0.0	-50.03	384.47	10.00	-40.03
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(C)=N1	REAL300005640977	0	51	0.0	-54.38	390.04	9.19	-45.19
CC1=NN(C2CCC2)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640978	0	50	0.0	-53.79	373.58	8.22	-45.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC(F)=C3)N=C2)C1	REAL300005640979	0	47	0.0	-54.89	369.86	9.08	-45.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC3=C2CCC3)C1	REAL300005640980	0	46	0.0	-55.74	347.27	8.05	-47.69
CCC1=C(C)SC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640981	0	46	0.0	-51.77	354.93	9.04	-42.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(OC(F)(F)F)C2)C1	REAL300005640982	0	44	0.0	-51.41	349.25	6.75	-44.66
CC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005640983	0	49	0.0	-53.92	373.27	10.80	-43.12
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3COCCC3=C2)C1	REAL300005640984	0	51	0.0	-53.26	384.18	9.01	-44.25
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3CCOCC3=C2)C1	REAL300005640985	0	51	0.0	-53.17	384.23	9.03	-44.14
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(S(C)(=O)=O)=CO2)C1	REAL300005640986	0	43	0.0	-56.20	344.10	4.19	-52.01
CCN1N=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005640987	0	45	0.0	-61.74	342.04	6.18	-55.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C3=CC=CC(F)=C3)=C2)C1	REAL300005640988	0	49	0.0	-53.54	380.95	9.60	-43.94
CCC1=CC=C(N2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)N=N2)C=C1	REAL300005640989	0	52	0.0	-61.85	403.11	9.63	-52.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCC(F)(F)C2)C1	REAL300005640990	0	49	0.0	-51.47	361.49	9.34	-42.13
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640991	0	61	0.0	-50.99	440.47	12.60	-38.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC(C(F)F)C2)C1	REAL300005640992	0	46	0.0	-53.54	340.47	8.96	-44.58
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640993	0	51	0.0	-56.19	392.66	9.67	-46.52
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005640994	0	48	0.0	-56.51	373.41	8.48	-48.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(N3CCOCC3)C=C2)C1	REAL300005640995	0	56	0.0	-53.18	414.54	7.75	-45.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C3OCCOC3=C2)C1	REAL300005640996	0	53	0.0	-56.19	396.97	9.47	-46.72
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1Cl	REAL300005640997	0	46	0.0	-51.52	362.29	9.74	-41.78
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005640998	0	54	0.0	-51.88	403.73	7.44	-44.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC3CC3)C=C2)C1	REAL300005640999	0	50	0.0	-51.60	380.41	10.92	-40.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3CCCCC3=C2)C1	REAL300005641000	0	49	0.0	-53.20	363.49	8.58	-44.62
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641001	0	48	0.0	-59.40	372.02	9.88	-49.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC2C2=CC=CC=C2Cl)C1	REAL300005641002	0	50	0.0	-51.23	387.65	11.08	-40.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Br)=C3OC=CC3=C2)C1	REAL300005641003	0	43	0.0	-54.11	353.91	8.84	-45.27
COCCN1C=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005641004	0	54	0.0	-54.99	414.64	9.57	-45.42
CC(C)N1C=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CC=C21	REAL300005641005	0	53	0.0	-55.20	399.00	11.00	-44.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2CC2CC2)C1	REAL300005641006	0	47	0.0	-48.81	351.19	8.59	-40.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCOCC2(C)C)C1	REAL300005641007	0	50	0.0	-49.83	347.26	6.86	-42.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=NN=CN32)C1	REAL300005641008	0	42	0.0	-57.04	325.19	9.54	-47.50
C=CCOCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C(C)(C)C	REAL300005641009	0	56	0.0	-51.70	399.74	9.25	-42.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(C)CCCN3S2(=O)=O)C1	REAL300005641010	0	52	0.0	-59.08	379.31	5.29	-53.79
CN1N=CC(C(F)F)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641011	0	43	0.0	-55.08	340.67	7.19	-47.89
CC1=NN(C2CCC2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641012	0	50	0.0	-54.40	373.53	8.42	-45.98
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641013	0	51	0.0	-53.51	401.59	10.16	-43.35
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2OCCCC2(C)C)C1	REAL300005641014	0	53	0.0	-50.76	374.21	8.65	-42.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(Cl)C=C2F)C1	REAL300005641015	0	44	0.0	-50.57	361.57	9.98	-40.59
COC1=CC2=CC=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005641016	0	53	0.0	-54.41	406.00	10.46	-43.95
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641017	0	46	0.0	-56.10	371.28	7.51	-48.59
COC1=CC=C(Br)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1C	REAL300005641018	0	47	0.0	-53.73	377.31	8.51	-45.22
COC1=NC=C(Cl)C(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641019	0	46	0.0	-55.25	370.84	5.82	-49.43
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641020	0	50	0.0	-61.31	395.51	7.41	-53.90
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCC(C)(CC2)CO3)C1	REAL300005641021	0	51	0.0	-45.97	353.40	8.30	-37.67
CCCCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005641022	0	57	0.0	-53.51	433.60	11.25	-42.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C=COC3=C2)C1	REAL300005641023	0	43	0.0	-52.67	327.87	8.78	-43.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2Cl)C1	REAL300005641024	0	46	0.0	-48.95	361.98	9.40	-39.55
CC1=C(C)NC(=O)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641025	0	46	0.0	-61.49	345.85	6.01	-55.48
CCN1N=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1C	REAL300005641026	0	46	0.0	-50.75	343.59	8.16	-42.59
CCCN1C=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641027	0	47	0.0	-48.32	346.17	9.50	-38.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CN(C(C)(C)C)N=C2)C1	REAL300005641028	0	52	0.0	-54.46	393.31	8.73	-45.73
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=C(F)C(F)=C1	REAL300005641029	0	49	0.0	-54.36	378.08	10.29	-44.07
CC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2)C(F)=C1	REAL300005641030	0	50	0.0	-51.66	380.40	10.42	-41.24
CCCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=NN1CC	REAL300005641031	0	51	0.0	-60.83	384.99	7.67	-53.16
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(C2=NNC=N2)=N1	REAL300005641032	0	48	0.0	-62.52	386.29	7.24	-55.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NC=NC3=CC(Br)=C2)C1	REAL300005641033	0	43	0.0	-58.13	354.58	8.22	-49.91
CC1=NNC2=C1CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC2	REAL300005641034	0	50	0.0	-55.90	365.47	7.50	-48.40
CC1=C2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2=NN1	REAL300005641034	1	50	0.0	-54.91	371.77	7.45	-47.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=C(Br)C=CS2)C1	REAL300005641035	0	43	0.0	-51.41	361.60	9.36	-42.05
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC(C4CC4)=NC3=C2)C1	REAL300005641036	0	50	0.0	-60.12	383.03	8.92	-51.20
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)OC2=C(F)C=CC=C2F)C1	REAL300005641037	0	50	0.0	-56.91	374.37	8.92	-47.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(S(N)(=O)=O)=CO2)C1	REAL300005641038	0	42	0.0	-54.48	337.51	1.63	-52.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=NC(C(F)(F)F)=CN3C2)C1	REAL300005641039	0	50	0.0	-55.00	386.55	9.29	-45.71
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641040	0	49	0.0	-51.31	386.57	10.48	-40.83
CSC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1[N+](=O)[O-]	REAL300005641041	0	46	0.0	-57.33	369.47	9.44	-47.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3N=NC=C3C=C2)C1	REAL300005641042	0	42	0.0	-60.90	331.90	6.52	-54.38
C[C@@H]1CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NN=C2[C@H](C)O1	REAL300005641043	0	51	0.0	-56.41	385.95	6.02	-50.39
C[C@@H]1CC2=C(NN=C2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)[C@H](C)O1	REAL300005641043	1	51	0.0	-51.05	376.10	6.97	-44.08
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCNC2=CN=CN=C2)C1	REAL300005641044	0	46	0.0	-53.78	355.45	5.90	-47.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC3(CCC3)C2)C1	REAL300005641045	0	50	0.0	-48.99	362.02	9.93	-39.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C[C@@H](O)C2=CC=CC=C2)C1	REAL300005641046	0	47	0.0	-53.05	358.83	7.42	-45.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC(F)(F)CC2)C1	REAL300005641047	0	49	0.0	-46.68	341.81	9.16	-37.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC=NN3C2)C1	REAL300005641048	0	47	0.0	-70.14	351.62	7.40	-62.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=NSC3=CC=C2)C1	REAL300005641049	0	42	0.0	-54.13	337.51	8.00	-46.13
CN1C=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005641050	0	44	0.0	-56.56	344.25	6.62	-49.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(C)(=O)=O)C=C2Cl)C1	REAL300005641051	0	46	0.0	-51.95	372.95	6.41	-45.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC(C3CC3)=NC=C2Cl)C1	REAL300005641052	0	45	0.0	-47.93	354.03	9.45	-38.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN(C(C)(C)C)N=C2C(C)(C)C)C1	REAL300005641053	0	61	0.0	-49.37	435.17	10.47	-38.90
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC=C2C=N1	REAL300005641054	0	48	0.0	-58.72	370.16	9.00	-49.72
CN1N=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C(C3CC3)N=C21	REAL300005641055	0	52	0.0	-58.02	401.77	9.13	-48.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCC(C(F)(F)F)(CC2)C3)C1	REAL300005641056	0	50	0.0	-76.53	372.03	9.32	-67.21
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641057	0	52	0.0	-50.19	369.69	9.45	-40.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=NC=C2)C1	REAL300005641058	0	43	0.0	-53.36	334.38	7.66	-45.70
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC)=C1OC	REAL300005641059	0	56	0.0	-54.41	433.25	8.70	-45.71
CC=CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(OC)=C1	REAL300005641060	0	55	0.0	-55.51	421.47	10.57	-44.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(OC3=CC=CC=C3)CC2)C1	REAL300005641061	0	57	0.0	-52.92	416.86	10.71	-42.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC=CN=C3C2)C1	REAL300005641062	0	46	0.0	-55.46	343.78	8.00	-47.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3C(=NN=C3C3=CC=CC=C3)C=C2)C1	REAL300005641063	0	52	0.0	-64.26	406.75	11.82	-52.44
CC1=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C2C(F)=C1	REAL300005641064	0	48	0.0	-61.00	374.53	8.92	-52.08
CN1C=C(C2=NC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CO2)C=N1	REAL300005641065	0	46	0.0	-56.59	360.57	5.81	-50.78
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NC2=C(C)C=C1	REAL300005641066	0	51	0.0	-53.91	386.80	8.28	-45.63
COC1=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005641067	0	49	0.0	-56.70	378.63	6.75	-49.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(COC3=CC=C(F)C=C3)=C2)C1	REAL300005641068	0	50	0.0	-59.05	399.45	9.28	-49.77
CCCCOC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005641069	0	56	0.0	-52.48	424.90	10.73	-41.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(C)(C)C)=CC=N2)C1	REAL300005641070	0	51	0.0	-49.06	371.47	9.85	-39.21
CC1=CN2C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C2S1	REAL300005641071	0	43	0.0	-59.74	344.40	8.24	-51.50
CCCC(CCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641072	0	58	0.0	-51.25	429.62	12.28	-38.97
CCC(C)(C)C1CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005641073	0	61	0.0	-49.83	414.46	10.84	-38.99
COC1CC2(C1)CCC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC2	REAL300005641074	0	57	0.0	-50.19	408.32	8.95	-41.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2COC3COCC32)C1	REAL300005641075	0	46	0.0	-52.33	327.69	4.50	-47.83
CC1=CC2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN=C2C=C1	REAL300005641076	0	48	0.0	-57.27	367.89	8.81	-48.46
CCC(CCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641077	0	55	0.0	-51.40	408.13	11.50	-39.90
CN1C=C(C2=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=NO2)N=N1	REAL300005641078	0	45	0.0	-59.45	360.08	6.11	-53.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C3CCOCC3=C2)C1	REAL300005641079	0	54	0.0	-53.12	405.63	9.84	-43.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC23CCC(F)(F)CC3)C1	REAL300005641080	0	50	0.0	-51.23	371.96	9.83	-41.40
CN(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1[N+](=O)[O-]	REAL300005641081	0	50	0.0	-56.85	386.42	9.18	-47.67
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(=O)NC(C2=CC=CO2)=N1	REAL300005641082	1	49	0.0	-52.03	385.23	6.92	-45.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C(C)(C)C)=C2)C1	REAL300005641083	0	51	0.0	-52.16	377.07	8.41	-43.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)S2)C1	REAL300005641084	0	48	0.0	-52.38	393.47	10.05	-42.33
COC1CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1(C)C	REAL300005641085	0	53	0.0	-50.94	386.81	8.13	-42.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=C(C#N)C=C3)OC=N2)C1	REAL300005641086	0	47	0.0	-60.11	386.64	6.96	-53.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3N=CC=C(C(C)(C)C)N3N=C2)C1	REAL300005641087	0	54	0.0	-60.14	402.08	9.27	-50.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3(CC3(F)F)C2)C1	REAL300005641088	0	47	0.0	-49.68	350.11	9.20	-40.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3C2C3(F)F)C1	REAL300005641089	0	47	0.0	-44.26	341.18	9.54	-34.72
C=C1CC2(C1)CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C2	REAL300005641090	0	48	0.0	-46.12	353.44	10.06	-36.06
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641091	0	51	0.0	-52.36	381.13	9.76	-42.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2CCCC[C@H]2C(C)(C)C)C1	REAL300005641092	0	58	0.0	-45.65	373.91	10.93	-34.72
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)F)=NN1C	REAL300005641093	0	46	0.0	-56.47	361.50	7.73	-48.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CCCC3)=NN2)C1	REAL300005641094	0	50	0.0	-53.99	369.13	7.82	-46.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3CCCC3)=C2)C1	REAL300005641094	1	50	0.0	-48.91	365.19	8.67	-40.24
COC1=CC=CC=C1OC(C)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641095	0	51	0.0	-55.06	382.82	8.94	-46.12
CC1=C(Cl)C=NN1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641096	0	43	0.0	-53.91	347.99	7.23	-46.68
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1S(=O)(=O)N(C)C	REAL300005641097	0	54	0.0	-58.53	408.18	6.35	-52.18
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N2C=C(C)SC2=N1	REAL300005641098	0	49	0.0	-61.42	392.47	9.78	-51.64
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(C3CCCO3)O2)C1	REAL300005641099	0	52	0.0	-52.56	381.20	7.48	-45.08
CN1N=NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C21	REAL300005641100	0	45	0.0	-50.39	342.28	6.95	-43.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3OCCCC3=C2)C1	REAL300005641101	0	47	0.0	-55.65	354.32	5.43	-50.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=NC=C3)=NO2)C1	REAL300005641102	0	45	0.0	-59.10	356.14	7.22	-51.88
CC1=CC2=C(C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)S2)S1	REAL300005641103	0	43	0.0	-48.03	348.21	9.64	-38.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC23CCC(CC2)C3)C1	REAL300005641104	0	50	0.0	-50.12	354.69	9.54	-40.58
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC=CC3=CC=CC=C32)C1	REAL300005641105	0	48	0.0	-69.05	356.34	10.32	-58.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CS2)C1	REAL300005641106	0	37	0.0	-50.82	312.01	7.37	-43.45
CCCOCCCC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641107	0	49	0.0	-51.22	369.05	7.55	-43.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN3C=NN=C3C=N2)C1	REAL300005641108	0	41	0.0	-60.44	322.87	8.13	-52.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2CS(N)(=O)=O)C1	REAL300005641109	0	51	0.0	-62.78	401.98	4.48	-58.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2(C3=CC=C(C(F)(F)F)C=C3)CC2)C1	REAL300005641110	0	53	0.0	-47.32	411.64	12.35	-34.97
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=NC=CC=C23)C1	REAL300005641111	0	45	0.0	-55.95	344.24	8.22	-47.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3SC=CC3=CN=C2)C1	REAL300005641112	0	42	0.0	-55.98	339.09	7.49	-48.49
CC(C)C(C)C(C)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641113	0	54	0.0	-49.66	375.76	9.44	-40.22
COC1CC2(C1)CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C2	REAL300005641114	0	51	0.0	-52.32	379.31	8.02	-44.30
CC1=CC2=C(OCC2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641115	0	48	0.0	-70.26	364.72	8.49	-61.77
CC(C)OCC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641116	0	56	0.0	-51.99	422.06	10.43	-41.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(C)(C)OC2)C1	REAL300005641117	0	50	0.0	-51.32	351.92	7.22	-44.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCCC23CCC3)C1	REAL300005641118	0	53	0.0	-50.49	363.92	9.86	-40.63
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23COC(C)(C2)CCC3)C1	REAL300005641119	0	51	0.0	-69.31	353.43	7.07	-62.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=C(Cl)C=CC=C2Cl)C1	REAL300005641120	0	47	0.0	-52.23	386.35	11.02	-41.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@H]2C2=CC=CC=C2)C1	REAL300005641121	0	56	0.0	-47.59	399.35	11.68	-35.91
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C=NN2C2CCCC2)C1	REAL300005641122	0	50	0.0	-49.37	388.70	9.70	-39.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CC3)C=CO2)C1	REAL300005641123	0	44	0.0	-48.52	328.95	8.90	-39.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=N3)=NN2)C1	REAL300005641124	0	46	0.0	-56.11	360.36	6.60	-49.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=N3)S2)C1	REAL300005641125	0	46	0.0	-54.97	370.74	8.95	-46.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C(C)(C)C2(F)F)C1	REAL300005641126	0	43	0.0	-52.06	326.53	7.97	-44.09
CN(C)C1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2C=C1	REAL300005641127	0	54	0.0	-55.32	403.26	10.54	-44.78
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2C(F)(F)C23CCC3)C1	REAL300005641128	0	44	0.0	-52.93	338.50	8.76	-44.17
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)OC(S(N)(=O)=O)=C1	REAL300005641129	0	45	0.0	-60.57	355.83	2.42	-58.15
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300005641130	0	47	0.0	-56.01	367.41	10.14	-45.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3(CC3(F)F)CC2)C1	REAL300005641131	0	50	0.0	-50.54	364.68	9.50	-41.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(CC3(F)F)C2)C1	REAL300005641132	0	44	0.0	-52.24	342.11	8.71	-43.53
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCOCC3)CC2(F)F)C1	REAL300005641133	0	51	0.0	-78.73	371.97	7.94	-70.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3CCC3)CC2(F)F)C1	REAL300005641134	0	47	0.0	-51.97	335.14	8.59	-43.38
CC1=NNC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641135	0	46	0.0	-54.83	353.77	6.66	-48.17
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1	REAL300005641135	1	46	0.0	-55.46	353.71	6.66	-48.80
CC(CN1C=CN=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641137	0	46	0.0	-69.69	346.73	8.77	-60.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2CC[C@@H](NC3=CC=CC=N3)CC2)C1	REAL300005641138	0	57	0.0	-53.12	415.49	9.64	-43.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CN2N=NC3=CC=CC=C32)C1	REAL300005641139	0	45	0.0	-58.33	353.86	6.96	-51.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=CC=CNC3=C2)C1	REAL300005641140	0	43	0.0	-68.64	332.91	6.91	-61.73
CN1C=NC2=C1CCCC2C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641141	0	50	0.0	-54.24	358.75	10.30	-43.94
COC1=C(Cl)C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=NC=CC=C21	REAL300005641142	0	49	0.0	-51.62	389.57	9.06	-42.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN3N=NC=C23)C1	REAL300005641143	0	42	0.0	-55.09	327.02	7.11	-47.98
COCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N1	REAL300005641145	0	45	0.0	-51.95	344.30	5.92	-46.03
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=NN1C(C)C(C)C	REAL300005641146	0	55	0.0	-56.31	406.75	9.10	-47.21
CCCSC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641147	0	50	0.0	-54.02	388.46	10.54	-43.48
COC1=CC=C2C(=C1)CCCC2C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641148	0	54	0.0	-52.66	396.33	9.70	-42.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC(Cl)=C3)C=N2)C1	REAL300005641149	0	49	0.0	-56.23	390.79	10.89	-45.34
CCCCSC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641150	0	53	0.0	-54.64	410.46	11.33	-43.31
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=C(Cl)C=C2Cl)C1	REAL300005641151	0	44	0.0	-51.70	353.20	7.19	-44.51
CC1=NC=NC2=C1CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC2	REAL300005641152	0	51	0.0	-54.88	378.37	9.03	-45.85
CC1=NN(C)C(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641153	0	46	0.0	-54.86	353.62	7.06	-47.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=CC=C(Br)C=C23)C1	REAL300005641154	0	43	0.0	-53.00	355.79	9.03	-43.97
COC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005641155	0	46	0.0	-52.81	348.51	6.11	-46.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300005641156	0	51	0.0	-52.77	389.70	9.26	-43.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC(OC(F)(F)F)CC2)C1	REAL300005641157	0	50	0.0	-49.09	369.38	7.55	-41.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(Cl)=C2)C1	REAL300005641158	0	40	0.0	-51.11	337.56	8.49	-42.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(Br)C=C3O2)C1	REAL300005641159	0	43	0.0	-56.30	355.52	9.25	-47.05
CC(C)OC1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641160	0	50	0.0	-54.37	380.83	9.42	-44.95
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641161	0	49	0.0	-52.32	398.83	11.02	-41.30
CC(CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)CC(F)(F)F	REAL300005641162	0	45	0.0	-51.16	343.22	8.31	-42.85
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC23CC(C)(C)C3)C1	REAL300005641163	0	50	0.0	-50.44	368.17	9.72	-40.72
COC1=CC=C(N2CCCCC2)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641164	0	59	0.0	-65.92	429.02	9.36	-56.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCC3(CCCC3)CC2)C1	REAL300005641165	0	59	0.0	-49.53	408.31	11.36	-38.17
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC23CCC3)C1	REAL300005641166	0	50	0.0	-50.39	349.22	9.02	-41.37
CC1COC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C21	REAL300005641167	0	48	0.0	-47.85	357.49	8.91	-38.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(C3CCC3)C2)C1	REAL300005641168	0	50	0.0	-50.45	365.81	9.88	-40.57
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3CCOCC3=C2)C1	REAL300005641169	0	47	0.0	-56.24	354.10	6.06	-50.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2COCC3=CC=CC=C32)C1	REAL300005641170	0	51	0.0	-47.91	370.19	9.30	-38.61
CC1=NN=C2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CN12	REAL300005641171	0	46	0.0	-61.78	346.53	8.22	-53.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCCCC2(F)F)C1	REAL300005641172	0	52	0.0	-45.34	362.75	10.13	-35.21
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C1	REAL300005641173	0	52	0.0	-61.12	400.22	11.08	-50.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC23CC(C)(C2)OC3)C1	REAL300005641174	0	48	0.0	-51.98	353.18	7.14	-44.84
CC1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCS1(=O)=O	REAL300005641175	0	49	0.0	-52.92	358.80	5.42	-47.50
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]3CCCCC[C@H]23)C1	REAL300005641176	0	53	0.0	-45.70	360.21	10.38	-35.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@]23CCCC2=CC=CC=C23)C1	REAL300005641177	0	54	0.0	-51.47	387.89	11.83	-39.64
CCC1=CN2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2=N1	REAL300005641178	0	53	0.0	-55.01	388.76	9.67	-45.34
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC23CCC(CC2)C3)C1	REAL300005641179	0	53	0.0	-45.54	373.69	10.77	-34.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC3=CC=CC=C3)C=C2)C1	REAL300005641180	0	53	0.0	-53.73	408.22	12.36	-41.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(N3C=CN=C3)=N2)C1	REAL300005641181	0	45	0.0	-54.56	344.08	9.02	-45.54
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC3=C2OC(C)(C)C3)C1	REAL300005641182	0	54	0.0	-54.18	408.02	10.16	-44.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300005641183	0	52	0.0	-56.18	410.11	9.99	-46.19
COC1=CN=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641184	0	42	0.0	-53.85	319.32	5.31	-48.54
CC1CCC(OCCCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005641185	0	59	0.0	-50.88	428.22	10.16	-40.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(F)C2CCOC2)C1	REAL300005641186	0	44	0.0	-52.13	327.31	5.99	-46.14
CCC1(C)CCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)O1	REAL300005641187	0	50	0.0	-51.12	361.31	8.41	-42.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3SN=CC3=C2)C1	REAL300005641188	0	42	0.0	-54.33	337.09	8.06	-46.27
CN(CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1)C1=CC=CC=C1	REAL300005641189	0	58	0.0	-53.90	434.78	12.14	-41.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN([C@@H]3COC[C@@H]3F)N=N2)C1	REAL300005641190	0	47	0.0	-57.19	356.79	5.60	-51.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(CCC3)CO2)C1	REAL300005641191	0	48	0.0	-50.64	349.80	8.11	-42.53
COC1=CC([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C(OC)C=C1C	REAL300005641192	0	58	0.0	-53.05	427.68	9.77	-43.28
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC3=NC=CN3C=C2)C1	REAL300005641193	0	42	0.0	-68.87	326.75	9.88	-58.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCCC2(F)F)C1	REAL300005641194	0	49	0.0	-52.50	359.80	9.24	-43.26
CN1N=CC=C1C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005641195	0	50	0.0	-56.29	381.77	8.90	-47.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3(CC(F)C3)C2)C1	REAL300005641196	0	47	0.0	-51.46	352.95	9.16	-42.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CCC(C2)S(=O)(=O)CC3)C1	REAL300005641197	0	50	0.0	-80.87	353.56	4.94	-75.93
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=NC=CC=C32)C1	REAL300005641198	0	49	0.0	-48.30	356.45	9.07	-39.23
COC1(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=N2)CCOCC1	REAL300005641199	0	57	0.0	-51.33	413.03	6.96	-44.37
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641200	0	48	0.0	-60.32	394.85	8.38	-51.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC2=C(F)C=CC=C2Cl)C1	REAL300005641201	0	46	0.0	-52.34	371.29	10.18	-42.16
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC(Cl)=CC=C21	REAL300005641202	0	47	0.0	-53.59	377.15	10.14	-43.45
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CCF)C=C2)C1	REAL300005641203	0	46	0.0	-52.15	356.04	9.54	-42.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3=CSC=C3C2)C1	REAL300005641204	0	44	0.0	-50.57	338.75	8.76	-41.81
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCNS3(=O)=O)C=C2)C1	REAL300005641205	0	51	0.0	-81.43	397.19	3.97	-77.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CN=NN3C=C2)C1	REAL300005641206	0	42	0.0	-53.60	319.81	6.94	-46.66
CCC1=CC=CC(CC)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641207	0	55	0.0	-51.24	398.89	11.20	-40.04
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC(C)(C)CC2)C1	REAL300005641208	0	55	0.0	-44.85	362.72	9.87	-34.98
CC(C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005641209	0	55	0.0	-51.97	371.03	10.02	-41.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300005641210	0	47	0.0	-75.88	369.02	8.44	-67.44
CC1=CN2C=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC2=N1	REAL300005641211	0	46	0.0	-57.77	352.75	9.02	-48.75
CC1=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C2C=CNC2=N1	REAL300005641212	0	45	0.0	-53.04	340.11	8.30	-44.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(OCC3CC3)=C2)C1	REAL300005641213	0	54	0.0	-53.12	413.57	10.73	-42.39
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C([N+](=O)[O-])=C2)C1	REAL300005641214	0	48	0.0	-60.12	369.80	11.17	-48.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCOC3(CCCCC3)C2)C1	REAL300005641215	0	57	0.0	-50.47	397.33	9.15	-41.32
CC(C)N1C=C(C2CC2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005641216	0	53	0.0	-52.99	394.72	9.25	-43.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2COC(C)(C)C2)C1	REAL300005641217	0	50	0.0	-51.31	366.65	7.49	-43.82
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CC3(CCC3)CO2)C1	REAL300005641218	0	51	0.0	-50.67	373.51	8.71	-41.96
COC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC(F)=C1F	REAL300005641219	0	44	0.0	-54.48	342.57	7.89	-46.59
COC1=CC2=CC=CN=C2C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641220	0	49	0.0	-58.15	377.07	7.78	-50.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3=NNC=C3)=C2)C1	REAL300005641221	0	47	0.0	-57.34	364.57	7.93	-49.41
CC1=C2NN=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=CC=C1	REAL300005641222	0	46	0.0	-50.27	347.15	8.32	-41.95
CC1=CC=CC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)NN=C21	REAL300005641222	1	46	0.0	-61.54	357.43	7.32	-54.22
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3(CCOCC3)O2)C1	REAL300005641223	0	52	0.0	-47.88	369.42	7.75	-40.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3(CCC3)O2)C1	REAL300005641224	0	48	0.0	-46.91	344.95	8.81	-38.10
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C2=CC=C(F)C(F)=C2)C2CC2)C1	REAL300005641225	0	53	0.0	-52.57	409.31	11.71	-40.86
CC1CCCC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005641226	0	52	0.0	-49.65	356.09	9.12	-40.53
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC2=CC=CC=C21	REAL300005641227	0	52	0.0	-46.83	380.07	11.85	-34.98
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)C1=CC=CC=C1Cl	REAL300005641228	0	46	0.0	-50.43	346.72	9.78	-40.65
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CC3=CC=CC=N3)=C2)C1	REAL300005641229	0	52	0.0	-54.81	402.47	10.54	-44.27
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C(C)(F)F)C1	REAL300005641230	0	43	0.0	-54.95	327.72	8.27	-46.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC3=C(F)C=C(Cl)C=C23)C1	REAL300005641231	0	43	0.0	-53.55	357.64	9.00	-44.55
CC(C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1)N1C=CC(C2CC2)=N1	REAL300005641232	0	50	0.0	-57.08	379.58	8.70	-48.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NCCC(C(C)(C)C)N3N=C2)C1	REAL300005641233	0	58	0.0	-56.35	414.35	8.08	-48.27
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C2=CC=C(C)C=C2)=NO1	REAL300005641234	0	52	0.0	-56.47	399.30	11.31	-45.16
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2=CC=C(F)C=C2)C2CC2)C1	REAL300005641235	0	50	0.0	-45.52	377.67	11.32	-34.20
CC1=CC=CC=C1C1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005641236	0	49	0.0	-52.17	375.67	10.66	-41.51
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=C4OCOC4=C3)=C2)C1	REAL300005641237	0	49	0.0	-60.14	387.20	8.20	-51.94
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CCC3)=NO2)C1	REAL300005641238	0	46	0.0	-52.52	343.13	8.56	-43.96
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC(C)(C2)OCC3)C1	REAL300005641239	0	48	0.0	-73.05	343.86	6.68	-66.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC4(C)CC(C)(CC(F)(C4)C2)C3)C1	REAL300005641240	0	60	0.0	-51.51	407.17	10.55	-40.96
CC1=CC(C(F)(F)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CS1	REAL300005641241	0	43	0.0	-55.46	350.56	8.67	-46.79
CN1C=C(C(F)(F)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005641242	0	43	0.0	-58.52	342.18	6.70	-51.82
COC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C(F)(F)F)=N1	REAL300005641243	0	45	0.0	-49.14	356.91	4.15	-44.99
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3CCOCC3)C=C2)C1	REAL300005641244	0	56	0.0	-52.86	414.76	7.01	-45.85
COC1=CC([C@@H](C)CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC=C1C	REAL300005641246	0	56	0.0	-48.54	409.46	10.74	-37.80
CC1CN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=C2)CCO1	REAL300005641247	0	59	0.0	-52.77	435.69	7.60	-45.17
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641248	0	56	0.0	-50.71	417.55	10.84	-39.87
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=N1	REAL300005641249	0	56	0.0	-54.46	420.89	10.51	-43.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC3CCCCCCC32)C1	REAL300005641250	0	56	0.0	-45.24	374.38	10.87	-34.37
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCC3(CCC3)C2)C1	REAL300005641251	0	53	0.0	-50.50	376.03	10.03	-40.47
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2COC3)C1	REAL300005641252	0	45	0.0	-69.33	342.21	7.19	-62.14
CC1CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CCS1	REAL300005641253	0	47	0.0	-46.47	335.56	9.23	-37.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300005641254	0	54	0.0	-53.04	412.87	11.98	-41.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NN3CC4(CC4)CC3=C2)C1	REAL300005641255	0	48	0.0	-51.72	358.18	8.96	-42.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=NC=C3)CC2)C1	REAL300005641256	0	46	0.0	-52.60	352.62	8.17	-44.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)N2C=CC(C3CC3)=N2)C1	REAL300005641257	0	53	0.0	-52.95	387.73	9.05	-43.90
CCCCC[C@@H](O)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641258	0	52	0.0	-52.40	379.51	7.60	-44.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCS(=O)(=O)CC2)C1	REAL300005641259	0	49	0.0	-58.94	369.00	5.22	-53.72
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N2C=CC=CC2=N1	REAL300005641260	0	46	0.0	-62.30	358.46	8.97	-53.33
COC12CCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)(CC1)C2	REAL300005641261	0	51	0.0	-46.41	357.54	7.73	-38.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC4CC(CC(C4)O2)C3)C1	REAL300005641262	0	52	0.0	-52.56	358.85	8.12	-44.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CS3)CCOCC2)C1	REAL300005641263	0	51	0.0	-46.06	367.57	8.36	-37.70
COC1CC(CCC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1	REAL300005641264	0	50	0.0	-53.55	365.97	7.93	-45.62
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=C(C2)C(C(F)(F)F)=NN3)C1	REAL300005641265	0	50	0.0	-58.09	381.75	7.78	-50.31
CC(C)CC1=NC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005641266	0	50	0.0	-49.57	371.53	9.23	-40.34
CC1=CC=C(C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2CC2)C=C1	REAL300005641267	0	53	0.0	-51.17	398.74	11.43	-39.74
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N2C=CC=CC2=N1	REAL300005641268	0	49	0.0	-60.80	379.47	9.72	-51.08
CC1=CC(F)=CC=C1C1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005641269	0	50	0.0	-51.47	378.02	10.33	-41.14
CC1=CC=C(F)C=C1C1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005641270	0	50	0.0	-54.94	378.02	10.33	-44.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CC2)C1	REAL300005641271	0	49	0.0	-57.62	383.65	10.48	-47.14
COC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CN=C2C=C1	REAL300005641272	0	49	0.0	-58.82	379.46	7.70	-51.12
CCC1=C(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005641273	0	45	0.0	-52.32	336.32	8.52	-43.80
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NNC=C2C2CCC2)C1	REAL300005641274	0	47	0.0	-54.70	349.76	7.60	-47.10
CC1CC(C)(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC(C)O1	REAL300005641275	0	53	0.0	-74.32	367.97	7.32	-67.00
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@]23COC[C@H]2C3(F)F)C1	REAL300005641277	0	42	0.0	-64.07	327.12	5.84	-58.23
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641278	0	46	0.0	-54.07	355.59	9.72	-44.35
CCC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641279	0	49	0.0	-56.13	363.24	10.42	-45.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC(C2=CC=CC=C2)N2C=NN=N2)C1	REAL300005641280	0	51	0.0	-55.50	390.03	9.32	-46.18
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2=C3NC=CC=C3N=C2)C1	REAL300005641281	0	46	0.0	-64.12	357.06	7.12	-57.00
COC1=C2NC=C(CC(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C2=CC=C1	REAL300005641282	0	51	0.0	-54.94	392.11	8.27	-46.67
COCC(C)(O)CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641283	0	47	0.0	-48.40	344.13	4.88	-43.52
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(Cl)C=C(F)C=C3N2)C1	REAL300005641284	0	44	0.0	-52.32	361.22	8.84	-43.48
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)NC2=C1CCCC2	REAL300005641285	0	51	0.0	-46.52	368.31	9.73	-36.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(CC3CCC3)=CN2)C1	REAL300005641286	0	51	0.0	-51.18	381.38	9.77	-41.41
CC1=C(C)NC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005641287	0	47	0.0	-59.20	364.28	7.51	-51.69
CC1=CNC(C=CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=N1	REAL300005641288	0	44	0.0	-59.46	343.66	6.95	-52.51
CCC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CS1	REAL300005641289	0	43	0.0	-47.02	328.96	8.88	-38.14
CCCCN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)N=N1	REAL300005641290	0	48	0.0	-61.66	368.57	7.23	-54.43
CCCC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1C	REAL300005641291	0	49	0.0	-50.09	364.60	8.79	-41.30
CCCC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641292	0	49	0.0	-54.45	369.58	7.77	-46.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCCC3=NNC2=O)C1	REAL300005641294	0	49	0.0	-48.12	364.07	6.38	-41.74
CC(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NO1	REAL300005641295	0	48	0.0	-56.40	364.58	8.72	-47.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCOCC3)S2)C1	REAL300005641296	0	50	0.0	-52.91	386.74	6.59	-46.32
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN21	REAL300005641297	0	46	0.0	-52.44	347.91	9.63	-42.81
CC1=NC=C2C=CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CN21	REAL300005641297	1	46	0.0	-52.44	347.91	9.63	-42.81
CC1=CN2CC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CCC2=N1	REAL300005641298	0	50	0.0	-55.22	367.32	8.92	-46.30
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=NNN=C3)CCOCC2)C1	REAL300005641299	0	53	0.0	-48.84	361.67	4.52	-44.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CNN=N3)CCOCC2)C1	REAL300005641299	1	53	0.0	-48.84	361.67	4.52	-44.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=NNN=C3)CCCC2)C1	REAL300005641300	0	52	0.0	-49.31	358.48	6.64	-42.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CNN=N3)CCCC2)C1	REAL300005641300	1	52	0.0	-49.31	358.48	6.64	-42.67
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3COCCC3=C2)C1	REAL300005641301	0	47	0.0	-53.03	354.44	6.17	-46.86
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641302	0	48	0.0	-52.19	365.05	10.45	-41.74
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=NN1CC(F)(F)F	REAL300005641303	0	46	0.0	-51.77	361.68	8.52	-43.25
CN1C=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C2=CC=CC(Cl)=C21	REAL300005641304	0	47	0.0	-53.94	371.97	9.95	-43.99
CC1=C(C2CC2)ON=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641305	0	46	0.0	-57.18	352.07	8.78	-48.40
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641306	0	49	0.0	-52.48	375.93	10.79	-41.69
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=C(Br)C=CS2)C1	REAL300005641307	0	41	0.0	-51.06	349.45	9.08	-41.98
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=C(Br)SC=C2)C1	REAL300005641308	0	41	0.0	-50.92	349.39	9.03	-41.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C(F)C=CC3=NNC=C32)C1	REAL300005641309	0	43	0.0	-58.32	337.83	7.31	-51.01
CCC1=CC=NC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641310	0	45	0.0	-53.65	343.25	8.36	-45.29
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC(C(F)(F)F)(C2)CO3)C1	REAL300005641311	0	45	0.0	-52.88	352.87	7.11	-45.77
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C=CC2=CN=CC(F)=C2)C1	REAL300005641312	0	43	0.0	-53.10	340.64	7.72	-45.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(N3C=CC=N3)=N2)C1	REAL300005641313	0	45	0.0	-53.70	355.77	7.32	-46.38
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC3=CN=CC=C32)C1	REAL300005641314	0	45	0.0	-51.19	346.03	8.94	-42.25
CN1N=NC=C1C1=CC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=C1	REAL300005641315	0	49	0.0	-55.53	374.18	7.66	-47.87
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=CC=C2C(C)(C)C)C1	REAL300005641316	0	51	0.0	-56.49	368.47	9.06	-47.43
CC1=C(F)C=CC=C1C1(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005641317	0	50	0.0	-51.00	375.75	10.39	-40.61
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CS3)CCCC2)C1	REAL300005641318	0	50	0.0	-52.13	370.27	9.81	-42.32
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CS2)C2CCCCC2)C1	REAL300005641319	0	56	0.0	-49.88	412.63	11.46	-38.42
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC(=O)C2=CC=C3CCCCC3=C2)C1	REAL300005641320	0	58	0.0	-57.75	434.89	12.05	-45.70
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(C#N)CC3CC3C2)C1	REAL300005641321	0	45	0.0	-55.97	337.11	8.18	-47.79
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641322	0	51	0.0	-48.17	358.64	7.65	-40.52
CC1=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=CC2=NNN=C21	REAL300005641323	0	45	0.0	-56.55	346.85	5.79	-50.76
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=NC=C3C=CSC3=C2)C1	REAL300005641324	0	42	0.0	-54.05	337.14	8.37	-45.68
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC(OC(F)F)=C3O2)C1	REAL300005641325	0	47	0.0	-58.54	372.84	8.11	-50.43
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641326	0	46	0.0	-54.51	373.05	7.46	-47.05
CC1CC(CC(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)O1	REAL300005641327	0	50	0.0	-50.66	360.88	7.37	-43.29
CCC1=CN2CCC(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)CC2=N1	REAL300005641328	0	53	0.0	-62.87	388.72	9.61	-53.26
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CC2CCCC3CCCCC23)C1	REAL300005641329	0	59	0.0	-48.85	400.80	11.13	-37.72
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(Cl)=C2)C1	REAL300005641330	0	37	0.0	-52.71	303.20	6.54	-46.17
COC1=C2C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)=CSC2=CC=C1	REAL300005641331	0	47	0.0	-56.41	370.41	9.70	-46.71
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CC=CC3=NS2)C1	REAL300005641332	0	42	0.0	-55.99	336.37	7.90	-48.09
CC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)SC(F)=C1	REAL300005641333	0	40	0.0	-52.89	321.52	7.70	-45.19
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2[C@H](C(F)F)C2(C)C)C1	REAL300005641334	0	46	0.0	-49.50	337.30	8.47	-41.03
CN1N=NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C21	REAL300005641335	0	45	0.0	-50.39	342.28	6.95	-43.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CC3)=CC=N2)C1	REAL300005641336	0	46	0.0	-48.75	344.03	9.54	-39.21
COC1=NC=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C(C)=N1	REAL300005641337	0	45	0.0	-53.48	341.96	3.66	-49.82
CC(CC1=CC=NC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641338	0	48	0.0	-52.92	362.56	8.32	-44.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CC(N3C=CN=C3)C2)C1	REAL300005641339	0	47	0.0	-54.95	355.73	9.22	-45.73
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCCN3C=NN=C23)C1	REAL300005641340	0	46	0.0	-70.30	333.42	9.20	-61.10
CC1=CC=CC(C(O)C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641341	0	47	0.0	-52.14	354.40	7.31	-44.83
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=C(O)C=C3)CC2)C1	REAL300005641342	0	51	0.0	-52.81	392.73	7.89	-44.92
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)CC2=NNN=C2)C1	REAL300005641343	0	48	0.0	-57.93	348.34	5.50	-52.43
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(C)(C)CC2=CNN=N2)C1	REAL300005641343	1	48	0.0	-57.93	348.34	5.50	-52.43
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641344	0	58	0.0	-58.74	435.32	7.79	-50.95
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCCC3=O)N2)C1	REAL300005641345	0	47	0.0	-49.01	349.99	8.26	-40.75
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=COC(CN3C=CC=N3)=C2)C1	REAL300005641346	0	47	0.0	-56.13	369.97	7.75	-48.38
COC1=CC=C(Cl)C(F)=C1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641347	0	44	0.0	-56.10	361.71	7.97	-48.13
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)CC2=CC=CC=C2)C1	REAL300005641348	0	47	0.0	-52.83	357.45	7.37	-45.46
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NCCCN3N=C2)C1	REAL300005641349	0	46	0.0	-53.04	339.81	5.80	-47.24
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CNC(C3=CC=CC=C3)=C2)C1	REAL300005641350	0	48	0.0	-53.40	368.21	9.28	-44.12
CC1CCCC(O)(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)CC1	REAL300005641351	0	53	0.0	-70.77	358.51	7.03	-63.74
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C(O)C2CCC(C(C)(C)C)CC2)C1	REAL300005641352	0	62	0.0	-52.27	418.05	8.72	-43.55
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)CCC(=O)C2=CC=C(Cl)C=C2)C1	REAL300005641353	0	48	0.0	-56.56	388.87	10.08	-46.48
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641354	0	54	0.0	-58.28	420.69	6.27	-52.01
CCOC1=C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C=CS1	REAL300005641355	0	44	0.0	-46.88	343.29	7.85	-39.03
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=C3NC=CC3=CC(F)=C2)C1	REAL300005641356	0	44	0.0	-57.38	345.86	8.06	-49.32
CCC1=NNC(CC)=C1CC(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641357	0	52	0.0	-53.74	391.19	7.88	-45.86
CN(C)C1=NC2=C(C(=O)N3CC(C(=O)[O-])CC([NH+](C)C)C3)C=CC=C2O1	REAL300005641358	0	50	0.0	-52.03	382.20	7.01	-45.02
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)C1	REAL300005641359	0	53	0.0	-49.16	397.87	10.10	-39.06
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300005641360	0	47	0.0	-51.87	374.42	10.76	-41.11
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300005641363	0	47	0.0	-47.64	352.41	10.76	-36.88
CCC(=CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641364	0	50	0.0	-52.91	375.28	10.47	-42.44
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(Br)=C2)C1	REAL300005641365	0	47	0.0	-51.46	378.99	10.86	-40.60
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2CCC3=NN=CN3C2)C1	REAL300005641366	0	46	0.0	-57.50	339.94	9.02	-48.48
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300005641367	0	47	0.0	-47.64	352.41	10.76	-36.88
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(O)C=C3N2)C1	REAL300005641369	0	45	0.0	-54.05	347.11	5.49	-48.56
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2C[C@@H]2C2=CC=CC=C2)C1	REAL300005641370	0	47	0.0	-51.93	357.89	10.25	-41.68
CC1C(C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)C1C1=CC=CC=C1	REAL300005641371	0	50	0.0	-51.70	377.72	10.81	-40.89
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CC([NH+](C)C)C1	REAL300005641372	0	53	0.0	-47.64	389.90	11.98	-35.66
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2F)C1	REAL300005641374	0	47	0.0	-52.68	363.21	10.27	-42.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(O)=C2)C1	REAL300005641375	0	48	0.0	-53.28	368.70	7.39	-45.89
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300005641376	1	50	0.0	-46.91	355.04	8.50	-38.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)C23CC(C2)CN3C2CC2)C1	REAL300005641376	1	50	0.0	-46.91	355.04	8.50	-38.41
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@H]2C[C@H](N3C=NN=C3)C2)C1	REAL300005641377	0	46	0.0	-74.68	345.39	9.98	-64.70
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC([NH+](C)C)C2)=C1	REAL300005641378	0	51	0.0	-53.13	387.19	9.54	-43.59
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C(Cl)=C2)C1	REAL300005641379	0	47	0.0	-51.01	390.01	11.22	-39.79
C[NH+](C)C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2)C1	REAL300005641380	0	47	0.0	-51.86	378.99	10.87	-40.99
C[NH+](C)CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300005641381	0	43	0.0	-73.92	353.66	9.42	-64.50
C[NH+](C)CC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300005641382	0	47	0.0	-75.97	384.32	9.67	-66.30
C[NH+](C)CC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300005641383	0	43	0.0	-77.71	353.25	9.39	-68.32
C[NH+](C)CC(NC(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=C(F)C=C1	REAL300005641384	0	40	0.0	-67.77	346.72	9.20	-58.57
C[NH+](C)CC(NC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=CC=C(F)C=C1	REAL300005641385	0	42	0.0	-60.87	350.54	8.31	-52.56
C[NH+](C)CC(NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300005641386	0	49	0.0	-79.20	399.28	10.87	-68.33
C[NH+](C)CC(NC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300005641387	0	42	0.0	-81.63	347.10	7.95	-73.68
C[NH+](C)CC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300005641388	0	47	0.0	-78.11	387.73	10.58	-67.53
C[NH+](C)CC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300005641389	0	45	0.0	-72.89	379.16	10.38	-62.51
C[NH+](C)CC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300005641390	0	45	0.0	-72.89	379.16	10.38	-62.51
C[NH+](C)CC(NC(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(F)C=C1	REAL300005641391	0	40	0.0	-64.14	339.62	7.80	-56.34
C[NH+](C)CC(NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005641392	0	49	0.0	-56.28	391.01	11.24	-45.04
CC1=CC(C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300005641393	0	53	0.0	-79.23	427.52	11.86	-67.37
C[NH+](C)CC(NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300005641394	0	46	0.0	-73.51	375.25	10.51	-63.00
C[NH+](C)CC(NC(=O)C1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005641395	0	49	0.0	-74.98	379.12	9.61	-65.37
C[NH+](C)CC(NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=C(F)C=C1	REAL300005641396	0	42	0.0	-77.91	351.42	8.24	-69.67
C[NH+](C)CC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=CC=C(F)C=C1	REAL300005641397	0	42	0.0	-65.08	349.84	8.30	-56.78
C[NH+](C)CC(NC(=O)CC(C)(C)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300005641398	0	48	0.0	-68.81	362.35	8.83	-59.98
C[NH+](C)CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=CC=C(F)C=C1	REAL300005641399	0	43	0.0	-72.24	358.10	9.45	-62.79
C[NH+](C)CC(NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=CC=C(F)C=C1	REAL300005641400	0	41	0.0	-67.99	345.41	6.44	-61.55
C[NH+](C)CC(NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300005641401	0	49	0.0	-75.91	378.86	10.26	-65.65
C[NH+](C)CC(NC(=O)C1CCC(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300005641402	0	49	0.0	-81.88	370.90	10.10	-71.78
C[NH+](C)CC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300005641403	0	46	0.0	-81.27	377.96	10.08	-71.19
C[NH+](C)CC(NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=CC=C(F)C=C1	REAL300005641404	0	42	0.0	-86.18	354.23	6.69	-79.49
CC1=NC(C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300005641405	0	45	0.0	-65.03	367.03	8.20	-56.83
C[NH+](C)CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300005641406	0	43	0.0	-73.92	353.66	9.42	-64.50
C[NH+](C)CC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005641407	0	46	0.0	-73.56	360.54	8.99	-64.57
C[NH+](C)CC(NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300005641408	0	46	0.0	-68.41	372.95	10.45	-57.96
C[NH+](C)CC(NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=CC=C(F)C=C1	REAL300005641409	0	43	0.0	-68.63	356.16	8.34	-60.29
CC1=COC(CC(=O)[O-])=C1C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641410	0	46	0.0	-61.36	380.66	9.60	-51.76
C[NH+](C)CC(NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=C(F)C=C1	REAL300005641411	0	42	0.0	-65.62	348.60	8.01	-57.61
C[NH+](C)CC(NC(=O)CC1CCC(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300005641412	0	52	0.0	-76.08	398.02	10.31	-65.77
C[NH+](C)CC(NC(=O)CC(C)(C)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300005641413	0	48	0.0	-68.81	362.35	8.83	-59.98
CC(CC(=O)[O-])CC(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641414	0	45	0.0	-67.60	348.03	8.72	-58.88
C[NH+](C)CC(NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=CC=C(F)C=C1	REAL300005641415	0	45	0.0	-79.47	375.22	8.72	-70.75
C[NH+](C)CC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=CC=C(F)C=C1	REAL300005641416	0	50	0.0	-70.07	404.58	10.73	-59.34
C[NH+](C)CC(NC(=O)C1=NOC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300005641417	0	39	0.0	-62.07	334.56	6.99	-55.08
C[NH+](C)CC(NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=CC=C(F)C=C1	REAL300005641418	0	56	0.0	-75.42	431.88	12.31	-63.11
CC1=C(C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)C=C(C(=O)[O-])O1	REAL300005641419	0	43	0.0	-68.42	356.33	8.56	-59.86
CC1=C(C(=O)[O-])OC(C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)=C1	REAL300005641420	0	43	0.0	-64.50	357.58	8.37	-56.13
C[NH+](C)CC(NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=CC=C(F)C=C1	REAL300005641421	0	43	0.0	-80.19	357.32	7.99	-72.20
C[NH+](C)CC(NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=CC=C(F)C=C1	REAL300005641422	0	44	0.0	-69.47	373.25	8.99	-60.48
C[NH+](C)CC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300005641423	0	47	0.0	-73.56	384.67	9.71	-63.85
C[NH+](C)CC(NC(=O)CCSCC(=O)[O-])C1=CC=C(F)C=C1	REAL300005641424	0	43	0.0	-69.49	363.02	8.58	-60.91
C[NH+](C)CC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=CC=C(F)C=C1	REAL300005641425	0	42	0.0	-65.08	349.84	8.30	-56.78
CN1N=C(C(=O)[O-])C=C1C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641426	0	43	0.0	-80.17	353.37	7.21	-72.96
C[C@@H]1C[C@H](C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)O[C@H]1C(=O)[O-]	REAL300005641427	0	47	0.0	-82.34	374.79	9.45	-72.89
C[NH+](C)CC(NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300005641428	0	46	0.0	-70.57	375.85	10.20	-60.37
C[NH+](C)CC(NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300005641429	0	47	0.0	-78.77	384.51	11.33	-67.44
C[NH+](C)CC(NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=CC=C(F)C=C1	REAL300005641430	0	44	0.0	-78.37	375.18	9.54	-68.83
C[NH+](C)CC(NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=CC=C(F)C=C1	REAL300005641431	0	46	0.0	-74.81	385.98	5.12	-69.69
C[NH+](C)CC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=CC=C(F)C=C1	REAL300005641432	0	44	0.0	-72.72	376.71	9.91	-62.81
C[NH+](C)CC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005641433	0	46	0.0	-73.56	360.54	8.99	-64.57
CC1=CC=C(C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300005641434	0	46	0.0	-76.49	369.36	9.91	-66.58
C[NH+](C)CC(NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300005641435	0	42	0.0	-71.64	346.17	7.92	-63.72
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641436	0	45	0.0	-62.59	363.02	8.82	-53.77
C[NH+](C)CC(NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=CC=C(F)C=C1	REAL300005641437	0	43	0.0	-83.27	359.77	7.59	-75.68
C[NH+](C)CC(NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=CC=C(F)C=C1	REAL300005641438	0	49	0.0	-92.63	400.68	9.27	-83.36
C[NH+](C)CC(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005641439	0	43	0.0	-42.43	332.09	8.70	-33.73
C[NH+](C)CC(NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=CC=C(F)C=C1	REAL300005641440	0	50	0.0	-73.91	392.45	9.51	-64.40
C[NH+](C)CC(NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=CC=C(F)C=C1	REAL300005641441	0	50	0.0	-72.21	391.40	8.48	-63.73
C[NH+](C)CC(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005641442	0	43	0.0	-42.43	332.09	8.70	-33.73
CC1=C(C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)OC(C(=O)[O-])=C1	REAL300005641443	0	43	0.0	-64.80	357.46	8.47	-56.33
C[NH+](C)CC(NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005641444	0	51	0.0	-55.56	374.31	11.26	-44.30
CC(C)C(C(=O)[O-])C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641445	0	45	0.0	-60.39	347.49	8.19	-52.20
C[NH+](C)CC(NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005641446	0	49	0.0	-59.45	367.83	10.01	-49.44
C[NH+](C)CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005641447	1	51	0.0	-71.41	392.88	7.47	-63.94
C[NH+](C)CC(NC(=O)CN1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005641447	1	51	0.0	-71.41	392.88	7.47	-63.94
C[NH+](C)CC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=CC=C(F)C=C1	REAL300005641448	0	50	0.0	-70.07	404.58	10.73	-59.34
C[NH+](C)CC(NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300005641449	0	50	0.0	-90.51	410.42	12.15	-78.36
C[NH+](C)CC(NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005641450	0	47	0.0	-79.37	376.20	10.43	-68.94
C[NH+](C)CC(NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005641451	0	43	0.0	-72.44	344.98	8.37	-64.07
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641452	0	49	0.0	-67.91	382.80	10.46	-57.45
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641453	0	46	0.0	-63.28	368.54	10.67	-52.61
C[NH+](C)CC(NC(=O)C1CC(C)(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005641454	0	46	0.0	-64.08	365.27	9.49	-54.59
C[NH+](C)CC(NC(=O)C1=CC(C(=O)[O-])=NN1)C1=CC=C(F)C=C1	REAL300005641455	0	40	0.0	-75.71	334.62	6.11	-69.60
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641456	0	45	0.0	-70.21	355.92	8.53	-61.68
CCCC(C(=O)[O-])C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641457	0	45	0.0	-56.11	359.64	8.53	-47.58
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641458	0	46	0.0	-76.82	368.50	10.67	-66.15
C[NH+](C)CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=CC=C(F)C=C1	REAL300005641459	0	43	0.0	-71.75	366.06	9.89	-61.86
C[NH+](C)CC(NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=CC=C(F)C=C1	REAL300005641460	0	50	0.0	-74.88	394.23	10.26	-64.62
COC1=CC(C(=O)[O-])=NC(C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)=C1	REAL300005641461	0	46	0.0	-62.19	381.08	6.97	-55.22
CN1C(C(=O)[O-])=CC=C1C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641462	0	44	0.0	-72.00	356.32	8.61	-63.39
C[NH+](C)CC(NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300005641463	0	49	0.0	-72.86	397.25	11.00	-61.86
C[NH+](C)CC(NC(=O)CC1(CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300005641464	0	46	0.0	-66.38	360.11	9.53	-56.85
C[NH+](C)CC(NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=CC=C(F)C=C1	REAL300005641465	0	47	0.0	-73.56	390.18	10.58	-62.98
C[NH+](C)CC(NC(=O)C1=CSC(C(=O)[O-])=N1)C1=CC=C(F)C=C1	REAL300005641466	0	39	0.0	-61.15	342.89	6.53	-54.62
C[NH+](C)CC(NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005641467	0	43	0.0	-70.11	341.12	9.97	-60.14
CC1=C(C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)C=C(C(=O)[O-])S1	REAL300005641468	0	43	0.0	-64.53	362.86	9.89	-54.64
C[NH+](C)CC(NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=CC=C(F)C=C1	REAL300005641469	0	43	0.0	-74.65	383.01	9.99	-64.66
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)=C1	REAL300005641470	0	47	0.0	-71.97	390.96	9.07	-62.90
C[NH+](C)CC(NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=CC=C(F)C=C1	REAL300005641471	0	46	0.0	-75.18	388.48	10.67	-64.51
C[NH+](C)CC(NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005641472	0	48	0.0	-76.70	384.69	9.16	-67.54
C[NH+](C)CC(NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300005641473	0	47	0.0	-78.32	388.21	10.61	-67.71
C[NH+](C)CC(NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=CC=C(F)C=C1	REAL300005641474	0	44	0.0	-67.91	378.49	8.42	-59.49
C[NH+](C)CC(NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=CC=C(F)C=C1	REAL300005641475	0	44	0.0	-76.60	378.98	8.55	-68.05
C[NH+](C)CC(NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=CC=C(F)C=C1	REAL300005641476	0	44	0.0	-68.74	369.76	7.54	-61.20
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641477	0	46	0.0	-76.11	362.71	9.92	-66.19
C[NH+](C)CC(NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(F)C=C1	REAL300005641478	0	46	0.0	-80.07	383.51	8.80	-71.27
C[NH+](C)CC(NC(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300005641479	0	40	0.0	-76.65	345.64	9.04	-67.61
C[NH+](C)CC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005641480	0	48	0.0	-56.91	372.58	7.71	-49.20
C[NH+](C)CC(NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=CC=C(F)C=C1	REAL300005641481	0	49	0.0	-80.94	389.12	11.50	-69.44
CC(C)[C@]1(C(=O)NC(C[NH+](C)C)C2=CC=C(F)C=C2)C[C@H]1C(=O)[O-]	REAL300005641482	0	49	0.0	-46.37	378.83	9.87	-36.50
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1	REAL300005641483	0	49	0.0	-83.04	394.32	10.50	-72.54
C[NH+](C)CC(NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300005641484	0	43	0.0	-75.72	366.79	9.65	-66.07
C[NH+](C)CC(NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=CC=C(F)C=C1	REAL300005641485	0	46	0.0	-84.78	382.91	10.12	-74.66
C[NH+](C)CC(NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=CC=C(F)C=C1	REAL300005641486	0	46	0.0	-60.87	359.83	8.92	-51.95
C[NH+](C)CC(NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=CC=C(F)C=C1	REAL300005641487	0	50	0.0	-69.48	402.24	10.92	-58.56
O=C([O-])C1CCC[N@H+](CC(=O)NCCN2C=C(Cl)C=N2)C1	REAL300005641531	0	40	0.0	-56.17	330.06	5.89	-50.28
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CO)CC23CCOCC3)C1	REAL300005641640	0	52	0.0	-49.22	388.35	3.76	-45.46
CC1=CC=CC(N2CCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=O)=C1	REAL300005641769	0	51	0.0	-59.27	394.27	8.56	-50.71
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(=O)N3CCOCC23)C1	REAL300005641911	0	46	0.0	-57.21	331.83	5.31	-51.90
O=C([O-])C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005643003	0	53	0.0	-81.33	382.69	12.34	-68.99
CC1=[NH+]C=C2CCC(C(=O)N3CCCC[C@@H]3CC(=O)[O-])CN12	REAL300005644291	1	45	0.0	-66.17	330.94	9.82	-56.35
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC[C@@H]3CC(=O)[O-])CC2)=CS1	REAL300005644343	1	52	0.0	-81.90	390.11	10.10	-71.80
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC[C@@H]2CC(=O)[O-])C=C1	REAL300005644405	0	56	0.0	-84.21	417.16	12.04	-72.17
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=C1	REAL300005644411	0	56	0.0	-82.90	416.50	14.03	-68.87
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=C1	REAL300005644411	1	56	0.0	-85.11	416.50	14.03	-71.08
C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CC(=O)[O-])CCCCC1	REAL300005644479	0	52	0.0	-59.37	331.92	9.73	-49.64
C[N@H+](CCC(=O)N1CCCC[C@@H]1CC(=O)[O-])C1CCCCC1	REAL300005644481	0	52	0.0	-67.97	361.46	10.89	-57.08
C[N@@H+](CCC(=O)N1CCCC[C@@H]1CC(=O)[O-])C1CCCCC1	REAL300005644481	1	52	0.0	-67.01	361.46	10.88	-56.13
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005644540	0	46	0.0	-84.40	351.04	9.58	-74.82
O=C([O-])C[C@H]1CCCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005644559	0	54	0.0	-83.91	373.55	9.35	-74.56
O=C([O-])C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300005644583	1	50	0.0	-76.64	361.37	8.88	-67.76
CC[N@H+](CC1=CC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C=C1)C(C)C	REAL300005644584	0	55	0.0	-81.74	385.61	11.95	-69.79
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C=C1)C(C)C	REAL300005644584	1	55	0.0	-82.61	379.54	11.67	-70.94
O=C([O-])C[C@H]1CCCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005644601	0	50	0.0	-65.79	364.68	11.55	-54.24
O=C([O-])C[C@H]1CCCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005644601	1	50	0.0	-67.77	363.50	11.49	-56.28
O=C([O-])C[C@H]1CCCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005644602	0	51	0.0	-82.07	364.99	10.91	-71.16
O=C([O-])C[C@H]1CCCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005644624	0	54	0.0	-72.36	360.17	8.87	-63.49
CC(C(=O)N1CCCC[C@@H]1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005644627	0	49	0.0	-58.60	351.89	11.05	-47.55
CC(C(=O)N1CCCC[C@@H]1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005644627	1	49	0.0	-55.91	352.29	11.06	-44.85
O=C([O-])C[C@H]1CCCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005644635	0	56	0.0	-60.96	396.31	13.14	-47.82
O=C([O-])C[C@H]1CCCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005644635	1	56	0.0	-50.77	392.80	12.99	-37.78
C[NH+](C)CC1=CC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C=N1	REAL300005644652	0	45	0.0	-80.41	336.00	8.52	-71.89
CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1CC(=O)[O-]	REAL300005644659	0	54	0.0	-69.09	384.91	11.56	-57.53
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005644677	0	50	0.0	-85.79	364.24	11.54	-74.25
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005644682	0	53	0.0	-79.17	379.98	12.27	-66.90
CCC(C(=O)N1CCCC[C@@H]1CC(=O)[O-])[N@@H+]1CCOC(CC)C1	REAL300005644685	1	53	0.0	-62.28	368.47	9.27	-53.01
CCC(C(=O)N1CCCC[C@@H]1CC(=O)[O-])[N@H+]1CCOC(CC)C1	REAL300005644685	1	53	0.0	-62.24	366.38	9.19	-53.05
CCN1CCC([NH+]2CCC(C(=O)N3CCCC[C@@H]3CC(=O)[O-])CC2)CC1	REAL300005644688	0	61	0.0	-77.26	415.35	9.93	-67.33
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC[C@@H]3CC(=O)[O-])C=C2)CC(C)O1	REAL300005644695	1	57	0.0	-90.19	408.36	11.36	-78.83
O=C([O-])C[C@H]1CCCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005644704	1	54	0.0	-83.43	397.71	11.46	-71.97
O=C([O-])C[C@H]1CCCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005644704	1	54	0.0	-76.83	397.45	11.46	-65.37
CC1=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005644718	1	44	0.0	-83.64	336.19	8.43	-75.21
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005644721	0	53	0.0	-86.19	381.56	12.30	-73.89
O=C([O-])C[C@H]1CCCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005644732	1	46	0.0	-80.66	344.70	9.75	-70.91
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C=C1	REAL300005644733	0	49	0.0	-89.70	362.50	11.29	-78.41
O=C([O-])C[C@H]1CCCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005644737	1	51	0.0	-79.67	372.77	10.56	-69.11
O=C([O-])C[C@H]1CCCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005644737	1	51	0.0	-87.19	372.37	10.59	-76.60
CC(C(=O)N1CCCC[C@@H]1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005644746	0	59	0.0	-56.78	413.15	13.36	-43.42
CC(C(=O)N1CCCC[C@@H]1CC(=O)[O-])[NH+]1CCSCC1	REAL300005644768	1	44	0.0	-60.22	316.03	8.98	-51.24
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC[C@@H]1CC(=O)[O-]	REAL300005644775	0	49	0.0	-59.60	362.23	11.55	-48.05
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC[C@@H]1CC(=O)[O-]	REAL300005644775	1	49	0.0	-63.61	362.59	11.56	-52.05
COCCOCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC(=O)[O-]	REAL300005644776	0	53	0.0	-67.03	391.00	7.98	-59.05
COCCOCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CC(=O)[O-]	REAL300005644776	1	53	0.0	-66.74	391.23	7.91	-58.83
O=C([O-])C[C@H]1CCCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005644783	0	58	0.0	-73.57	417.35	11.42	-62.15
C[N@H+](CC(=O)N1CCCC[C@@H]1CC(=O)[O-])C1CCSC1	REAL300005644805	0	44	0.0	-59.14	322.55	9.36	-49.78
C[N@@H+](CC(=O)N1CCCC[C@@H]1CC(=O)[O-])C1CCSC1	REAL300005644805	1	44	0.0	-67.77	322.88	9.37	-58.40
CC(C)[NH+]1CCN(CCC(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1	REAL300005644815	0	54	0.0	-74.12	377.24	8.30	-65.82
CC(C)N1CC[NH+](CCC(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1	REAL300005644815	1	54	0.0	-66.03	375.26	8.31	-57.72
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1	REAL300005644816	0	57	0.0	-74.63	399.94	9.27	-65.36
CC(C)N1CC[NH+](CCCC(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1	REAL300005644816	1	57	0.0	-69.66	399.21	9.24	-60.42
C[NH+](C)CCN1C=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C=N1	REAL300005644818	0	46	0.0	-84.55	344.00	8.48	-76.07
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC[C@@H]3CC(=O)[O-])CC2)=C1	REAL300005644821	0	58	0.0	-69.36	417.32	11.31	-58.05
O=C([O-])C[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005644823	0	55	0.0	-69.39	395.89	10.64	-58.75
O=C([O-])C[C@H]1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005644826	0	52	0.0	-74.28	377.75	10.47	-63.81
O=C([O-])C[C@H]1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005644826	1	52	0.0	-61.39	369.56	10.48	-50.91
CC(C(=O)N1CCCC[C@@H]1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005644831	0	50	0.0	-62.74	356.31	11.42	-51.32
CC(C(=O)N1CCCC[C@@H]1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005644831	1	50	0.0	-60.86	358.40	11.61	-49.25
CC(C(=O)N1CCCC[C@@H]1CC(=O)[O-])[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300005644833	1	55	0.0	-62.75	396.76	10.44	-52.31
O=C([O-])C[C@H]1CCCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005644850	0	53	0.0	-74.53	388.00	12.45	-62.08
O=C([O-])C[C@H]1CCCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005644850	1	53	0.0	-74.58	388.50	12.46	-62.12
C[NH+](C)CCN1C=CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=N1	REAL300005644861	0	46	0.0	-97.69	345.02	9.08	-88.61
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC[C@@H]1CC(=O)[O-]	REAL300005644862	0	46	0.0	-55.21	338.36	8.42	-46.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC[C@@H]1CC(=O)[O-]	REAL300005644863	1	47	0.0	-63.41	349.01	10.39	-53.02
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=NN1	REAL300005644866	1	47	0.0	-83.50	340.16	8.32	-75.18
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=NN1	REAL300005644866	1	47	0.0	-84.06	340.49	8.28	-75.78
O=C([O-])C[C@H]1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005644874	0	53	0.0	-74.60	389.24	12.38	-62.22
O=C([O-])C[C@H]1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005644874	1	53	0.0	-69.55	390.17	12.41	-57.14
O=C([O-])C[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005644878	0	54	0.0	-68.76	393.62	10.06	-58.70
O=C([O-])C[C@H]1CCCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005644914	0	53	0.0	-68.44	365.18	10.97	-57.47
O=C([O-])C[C@H]1CCCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005644914	1	53	0.0	-67.95	368.29	11.09	-56.86
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC[C@@H]3CC(=O)[O-])=C2)CC1	REAL300005644939	0	55	0.0	-87.91	397.07	9.82	-78.09
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC[C@@H]3CC(=O)[O-])C=C2)CC1	REAL300005644940	0	55	0.0	-85.60	398.41	9.87	-75.73
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC[C@@H]3CC(=O)[O-])C=C2)CC1	REAL300005644940	1	55	0.0	-86.74	398.09	9.75	-76.99
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C=C1	REAL300005644941	0	56	0.0	-85.03	401.06	11.33	-73.70
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005645018	0	57	0.0	-88.00	413.25	9.61	-78.39
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=C1	REAL300005645022	0	46	0.0	-83.77	339.82	10.44	-73.33
O=C([O-])C[C@H]1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005645023	0	53	0.0	-62.36	373.78	12.27	-50.09
O=C([O-])C[C@H]1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005645023	1	53	0.0	-66.03	383.56	12.35	-53.68
CC[NH+]1CCN(CCC(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1	REAL300005645064	0	51	0.0	-77.76	361.54	7.93	-69.83
CCN1CC[NH+](CCC(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1	REAL300005645064	1	51	0.0	-66.28	361.70	7.96	-58.32
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC[C@@H]1CC(=O)[O-]	REAL300005645070	1	47	0.0	-62.57	348.55	10.44	-52.13
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC[C@@H]3CC(=O)[O-])=CC=C1N2	REAL300005645117	1	51	0.0	-88.13	374.78	10.84	-77.29
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC[C@@H]3CC(=O)[O-])=CC=C1N2	REAL300005645117	1	51	0.0	-88.46	374.86	10.84	-77.62
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])O1	REAL300005645157	0	49	0.0	-85.52	360.51	10.40	-75.12
CC1=CC=C(N2CCC(C(=O)N3CCCC[C@@H]3CC(=O)[O-])CC2)[NH+]=C1	REAL300005645158	1	52	0.0	-79.33	375.49	10.14	-69.19
C[N@H+](CC(=O)N1CCCC[C@@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300005645159	1	46	0.0	-61.21	339.75	10.72	-50.49
C[N@@H+](CC(=O)N1CCCC[C@@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300005645159	1	46	0.0	-65.82	340.17	10.71	-55.11
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC[C@@H]3CC(=O)[O-])C=C2)CC1	REAL300005645162	0	58	0.0	-89.43	407.95	10.79	-78.64
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005645171	1	41	0.0	-82.09	318.98	8.42	-73.67
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC[C@@H]1CC(=O)[O-]	REAL300005645198	0	53	0.0	-70.10	381.29	12.23	-57.87
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC[C@@H]1CC(=O)[O-]	REAL300005645198	1	53	0.0	-84.26	384.72	12.08	-72.18
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC[C@@H]2CC(=O)[O-])C=C1	REAL300005645215	0	54	0.0	-91.93	404.82	11.75	-80.18
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005645229	0	50	0.0	-83.09	365.19	10.92	-72.17
C[N@@H+]1CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300005645523	0	43	0.0	-60.92	308.90	8.77	-52.15
C[N@H+]1CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300005645523	1	43	0.0	-57.98	312.58	8.22	-49.76
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=C1	REAL300005645863	0	49	0.0	-82.93	362.27	11.28	-71.65
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C=C1	REAL300005645868	0	50	0.0	-86.83	369.66	10.25	-76.58
O=C([O-])C[C@H]1CCCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005645940	0	56	0.0	-72.76	402.76	13.13	-59.63
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC[C@@H]3CC(=O)[O-])C=C2)CCO1	REAL300005645942	1	54	0.0	-88.09	394.09	10.65	-77.44
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC[C@@H]3CC(=O)[O-])C=C2)CCO1	REAL300005645942	1	54	0.0	-90.28	393.94	10.65	-79.63
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC[C@@H]3CC(=O)[O-])=CN21	REAL300005645966	0	41	0.0	-73.01	311.58	10.17	-62.84
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C1	REAL300005646003	0	52	0.0	-67.17	363.76	10.85	-56.32
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C1	REAL300005646003	1	52	0.0	-59.63	350.36	10.66	-48.97
CCCCOC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300005646096	0	56	0.0	-49.32	427.86	10.06	-39.26
CCCCOC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300005646096	1	56	0.0	-49.81	422.40	10.10	-39.71
CC1([NH+]2CCOCC2)CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005646154	1	51	0.0	-77.44	384.27	8.81	-68.63
CC1([NH+]2CCOCC2)CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005646156	1	49	0.0	-79.59	375.09	8.43	-71.16
CC1([NH+]2CCOCC2)CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300005646162	1	51	0.0	-71.47	375.63	8.53	-62.94
CC1([NH+]2CCOCC2)CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300005646164	1	48	0.0	-84.62	363.19	7.94	-76.68
CC(C)(CC(=O)[O-])CC(=O)N1CCC(C)([NH+]2CCOCC2)C1	REAL300005646168	1	50	0.0	-71.13	347.36	6.75	-64.38
CC1([NH+]2CCOCC2)CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005646173	1	48	0.0	-83.93	362.87	8.00	-75.93
CC1([NH+]2CCOCC2)CCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300005646180	1	55	0.0	-59.86	404.53	10.07	-49.79
CC1([NH+]2CCOCC2)CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300005646185	1	54	0.0	-78.42	383.01	8.26	-70.16
CC(C)(CC(=O)[O-])CC(=O)N1CCC(C)([NH+]2CCOCC2)C1	REAL300005646188	1	50	0.0	-71.13	347.36	6.75	-64.38
CC1([NH+]2CCOCC2)CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005646193	1	58	0.0	-73.98	417.03	10.18	-63.80
CC1([NH+]2CCOCC2)CCN(C(=O)CCSCC(=O)[O-])C1	REAL300005646201	1	45	0.0	-70.02	348.03	6.52	-63.50
CC1([NH+]2CCOCC2)CCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300005646208	1	46	0.0	-73.64	356.04	6.71	-66.93
CC1([NH+]2CCOCC2)CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300005646211	1	46	0.0	-69.01	357.64	7.07	-61.94
CC1([NH+]2CCOCC2)CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300005646217	1	51	0.0	-92.90	387.89	6.86	-86.04
CC1([NH+]2CCOCC2)CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300005646219	1	52	0.0	-75.30	381.87	6.02	-69.28
CC1(N2CCOCC2)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005646223	0	53	0.0	-48.20	378.49	5.34	-42.86
CC1(N2CCOCC2)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005646223	1	53	0.0	-44.97	371.07	4.88	-40.09
CC1([NH+]2CCOCC2)CCN(C(=O)CC2(CC(=O)[O-])CC2)C1	REAL300005646242	1	48	0.0	-68.41	351.52	7.00	-61.41
CC1([NH+]2CCOCC2)CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300005646250	1	50	0.0	-69.38	371.88	6.78	-62.60
CC1([NH+]2CCOCC2)CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005646252	1	49	0.0	-80.16	371.73	8.44	-71.72
CC1([NH+]2CCOCC2)CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300005646259	1	48	0.0	-80.76	370.71	6.63	-74.13
CC1([NH+]2CCOCC2)CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300005646263	1	51	0.0	-80.11	373.93	8.88	-71.23
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC(C)([NH+]2CCOCC2)C1	REAL300005646265	1	51	0.0	-88.85	379.84	8.42	-80.43
CC1([NH+]2CCOCC2)CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300005646266	1	45	0.0	-84.02	354.67	7.09	-76.93
CC1([NH+]2CCOCC2)CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300005646267	1	48	0.0	-90.32	367.73	7.98	-82.34
COC1=CC=C([C@@H](O)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300005646347	0	48	0.0	-51.27	374.52	4.39	-46.88
COC1=CC=C([C@@H](O)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300005646347	1	48	0.0	-51.84	375.16	4.42	-47.42
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC3=CNN=C3N=C2)C1	REAL300005646426	1	39	0.0	-59.94	305.98	5.31	-54.63
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC3=CNN=C3N=C2)C1	REAL300005646426	1	39	0.0	-60.04	305.08	4.80	-55.24
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@@H](O)C2=CC=CC=C2)C1	REAL300005646491	0	44	0.0	-48.78	339.94	5.00	-43.78
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@@H](O)C2=CC=CC=C2)C1	REAL300005646491	1	44	0.0	-49.88	346.15	5.02	-44.86
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN(CCO)N=C2)C1	REAL300005646562	0	44	0.0	-50.03	346.26	2.70	-47.33
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN(CCO)N=C2)C1	REAL300005646562	1	44	0.0	-52.41	352.47	2.72	-49.69
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300005646594	0	46	0.0	-71.67	367.42	10.64	-61.03
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300005646595	0	50	0.0	-72.50	397.09	10.60	-61.90
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300005646596	0	46	0.0	-82.04	371.12	10.70	-71.34
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300005646597	0	43	0.0	-61.86	360.30	9.50	-52.36
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300005646598	0	45	0.0	-62.04	366.81	8.30	-53.74
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300005646599	0	52	0.0	-80.16	417.18	12.18	-67.98
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300005646600	0	45	0.0	-85.04	367.21	8.94	-76.10
CC1=CC=C(C(C[NH+](C)C)NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300005646601	0	50	0.0	-79.12	405.63	11.90	-67.22
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300005646602	0	48	0.0	-60.17	396.38	10.67	-49.50
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300005646603	0	48	0.0	-60.17	396.38	10.67	-49.50
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])O2)C=C1	REAL300005646604	0	43	0.0	-60.96	354.57	8.41	-52.55
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300005646605	0	52	0.0	-67.02	402.25	11.60	-55.42
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C=C1	REAL300005646606	0	56	0.0	-72.05	443.31	11.85	-60.20
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300005646607	0	49	0.0	-77.75	392.85	10.68	-67.07
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2CCCC(C(=O)[O-])C2)C=C1	REAL300005646608	0	52	0.0	-76.18	386.10	10.59	-65.59
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300005646609	0	45	0.0	-70.59	362.63	8.74	-61.85
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300005646610	0	45	0.0	-59.17	363.15	8.58	-50.59
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC(C)(C)CC(=O)[O-])C=C1	REAL300005646611	0	51	0.0	-65.84	377.33	9.45	-56.39
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300005646612	0	46	0.0	-73.45	375.23	10.70	-62.75
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CN=C(C(=O)[O-])C=N2)C=C1	REAL300005646613	0	44	0.0	-63.73	361.19	6.41	-57.32
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300005646614	0	52	0.0	-69.03	390.05	10.55	-58.48
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2CCC(C(=O)[O-])CC2)C=C1	REAL300005646615	0	52	0.0	-71.46	390.06	10.33	-61.13
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300005646616	0	49	0.0	-77.07	392.98	10.69	-66.38
CC1=CC=C(C(C[NH+](C)C)NC(=O)CN2C=C(C(=O)[O-])N=N2)C=C1	REAL300005646617	0	45	0.0	-77.26	370.51	6.69	-70.57
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C(C)=N2)C=C1	REAL300005646618	0	48	0.0	-61.34	382.04	8.80	-52.54
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300005646619	0	46	0.0	-71.67	367.42	10.64	-61.03
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300005646620	0	49	0.0	-78.46	378.01	10.24	-68.22
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300005646621	0	49	0.0	-63.15	385.82	11.06	-52.09
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=C(CC(=O)[O-])OC=C2)C=C1	REAL300005646622	0	46	0.0	-65.80	371.14	8.95	-56.85
CC1=COC(CC(=O)[O-])=C1C(=O)NC(C[NH+](C)C)C1=CC=C(C)C=C1	REAL300005646623	0	49	0.0	-36.46	392.93	9.97	-26.49
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300005646624	0	45	0.0	-63.74	365.84	8.28	-55.46
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC2CCC(C(=O)[O-])CC2)C=C1	REAL300005646625	0	55	0.0	-72.34	408.40	11.21	-61.13
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC(C)(C)CC(=O)[O-])C=C1	REAL300005646626	0	51	0.0	-65.84	377.33	9.45	-56.39
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC(C)CC(=O)[O-])C=C1	REAL300005646627	0	48	0.0	-67.24	367.58	9.07	-58.17
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C=C1	REAL300005646628	0	48	0.0	-75.37	390.11	9.33	-66.04
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C=C1	REAL300005646629	0	53	0.0	-66.87	419.58	11.34	-55.53
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=NOC(C(=O)[O-])=C2)C=C1	REAL300005646630	0	42	0.0	-55.60	344.50	7.85	-47.75
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300005646631	0	59	0.0	-70.90	446.70	12.93	-57.97
CC1=C(C(=O)NC(C[NH+](C)C)C2=CC=C(C)C=C2)C=C(C(=O)[O-])O1	REAL300005646632	0	46	0.0	-64.69	371.34	9.17	-55.52
CC1=C(C(=O)[O-])OC(C(=O)NC(C[NH+](C)C)C2=CC=C(C)C=C2)=C1	REAL300005646633	0	46	0.0	-61.09	372.59	8.98	-52.11
CC1=CC=C(C(C[NH+](C)C)NC(=O)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300005646634	0	46	0.0	-74.47	374.90	8.16	-66.31
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C=CC(=O)[O-])O2)C=C1	REAL300005646635	0	47	0.0	-65.30	387.79	9.57	-55.73
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300005646636	0	50	0.0	-69.30	399.67	10.33	-58.97
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCSCC(=O)[O-])C=C1	REAL300005646637	0	46	0.0	-66.15	378.01	9.20	-56.95
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300005646638	0	45	0.0	-59.17	363.15	8.58	-50.59
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=NN2C)C=C1	REAL300005646639	0	46	0.0	-76.50	368.77	7.93	-68.57
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C=C1	REAL300005646640	0	50	0.0	-73.29	391.06	9.53	-63.76
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300005646641	0	49	0.0	-69.15	389.61	11.42	-57.73
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300005646642	0	50	0.0	-74.11	399.51	11.94	-62.17
CC1=CC=C(C(C[NH+](C)C)NC(=O)C=CC2=CC(C(=O)[O-])=CO2)C=C1	REAL300005646643	0	47	0.0	-70.86	385.88	9.98	-60.88
CC1=CC=C(C(C[NH+](C)C)NC(=O)COCC2=C(C(=O)[O-])N=CO2)C=C1	REAL300005646644	0	49	0.0	-84.61	403.89	6.42	-78.19
CC1=CC=C(C(C[NH+](C)C)NC(=O)C=CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300005646645	0	47	0.0	-67.45	389.20	9.81	-57.64
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300005646646	0	49	0.0	-78.46	378.01	10.24	-68.22
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300005646647	0	49	0.0	-77.29	384.24	11.18	-66.11
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CN=CC(C(=O)[O-])=C2)C=C1	REAL300005646648	0	45	0.0	-67.49	363.73	8.22	-59.27
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300005646649	0	48	0.0	-60.89	379.16	8.82	-52.07
CC1=CC=C(C(C[NH+](C)C)NC(=O)CN2C=CC(C(=O)[O-])=N2)C=C1	REAL300005646650	0	46	0.0	-82.66	373.49	8.81	-73.85
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCCN2C=CC(C(=O)[O-])=N2)C=C1	REAL300005646651	0	52	0.0	-90.63	420.80	10.23	-80.40
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300005646652	0	46	0.0	-57.66	353.69	9.68	-47.98
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C=C1	REAL300005646653	0	53	0.0	-72.31	412.31	9.97	-62.34
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C=C1	REAL300005646654	0	53	0.0	-65.88	411.40	8.82	-57.06
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300005646655	0	46	0.0	-57.66	353.69	9.68	-47.98
CC1=C(C(=O)NC(C[NH+](C)C)C2=CC=C(C)C=C2)OC(C(=O)[O-])=C1	REAL300005646656	0	46	0.0	-61.36	372.48	9.08	-52.28
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C=C1	REAL300005646657	0	54	0.0	-42.00	399.80	11.17	-30.83
CC1=CC=C(C(C[NH+](C)C)NC(=O)C(C(=O)[O-])C(C)C)C=C1	REAL300005646658	0	48	0.0	-52.43	363.37	9.09	-43.34
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300005646659	0	52	0.0	-70.78	383.70	11.03	-59.75
CC1=CC=C(C(C[NH+](C)C)NC(=O)CN2CCCC(C(=O)[O-])C2)C=C1	REAL300005646660	1	54	0.0	-69.13	409.83	8.67	-60.46
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C=C1	REAL300005646661	0	53	0.0	-66.87	419.58	11.34	-55.53
CC1=CC=C(C(C[NH+](C)C)NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300005646662	0	53	0.0	-87.08	425.97	12.10	-74.98
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300005646663	0	50	0.0	-75.49	391.20	11.04	-64.45
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300005646664	0	46	0.0	-73.83	359.52	9.64	-64.19
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)C=C1	REAL300005646665	0	52	0.0	-65.50	397.80	11.08	-54.42
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300005646666	0	49	0.0	-62.78	384.68	10.69	-52.09
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2CC(C)(C(=O)[O-])C2)C=C1	REAL300005646667	0	49	0.0	-60.40	380.28	10.10	-50.30
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=NN2)C=C1	REAL300005646668	0	43	0.0	-72.60	352.58	6.45	-66.15
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CN=CC(C(=O)[O-])=C2C)C=C1	REAL300005646669	0	48	0.0	-65.24	368.45	9.03	-56.21
CCCC(C(=O)[O-])C(=O)NC(C[NH+](C)C)C1=CC=C(C)C=C1	REAL300005646670	0	48	0.0	-55.41	374.34	9.22	-46.19
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300005646671	0	49	0.0	-70.64	384.68	10.70	-59.94
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300005646672	0	46	0.0	-72.39	383.19	11.13	-61.26
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300005646673	0	53	0.0	-73.84	407.65	11.37	-62.47
COC1=CC(C(=O)[O-])=NC(C(=O)NC(C[NH+](C)C)C2=CC=C(C)C=C2)=C1	REAL300005646674	0	49	0.0	-59.65	396.55	7.62	-52.03
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])N2C)C=C1	REAL300005646675	0	47	0.0	-66.32	367.02	9.57	-56.75
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300005646676	0	52	0.0	-71.32	411.01	12.23	-59.09
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC2(CC(=O)[O-])CC2)C=C1	REAL300005646677	0	49	0.0	-61.73	379.59	9.73	-52.00
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C=C1	REAL300005646678	0	50	0.0	-65.54	402.25	10.51	-55.03
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CSC(C(=O)[O-])=N2)C=C1	REAL300005646679	0	42	0.0	-53.95	355.67	7.48	-46.47
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])C=C1	REAL300005646680	0	46	0.0	-80.45	365.29	10.14	-70.31
CC1=C(C(=O)NC(C[NH+](C)C)C2=CC=C(C)C=C2)C=C(C(=O)[O-])S1	REAL300005646681	0	46	0.0	-62.89	377.59	9.86	-53.03
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C=C1	REAL300005646682	0	46	0.0	-69.16	393.42	10.87	-58.29
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC(C[NH+](C)C)C2=CC=C(C)C=C2)=C1	REAL300005646683	0	50	0.0	-68.02	405.96	9.69	-58.33
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C=C1	REAL300005646684	0	49	0.0	-71.86	403.87	11.30	-60.56
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCC2=CC=CN=C2C(=O)[O-])C=C1	REAL300005646685	0	51	0.0	-53.26	398.45	9.87	-43.39
CC1=CC=C(C(C[NH+](C)C)NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300005646686	0	50	0.0	-73.80	402.75	11.18	-62.62
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C=C1	REAL300005646687	0	47	0.0	-61.05	391.98	9.54	-51.51
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C=C1	REAL300005646688	0	47	0.0	-72.42	393.68	9.16	-63.26
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C=C1	REAL300005646689	0	47	0.0	-64.22	383.96	8.79	-55.43
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300005646690	0	49	0.0	-70.38	372.98	10.81	-59.57
CC1=CC=C(C(C[NH+](C)C)NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300005646691	0	49	0.0	-75.63	393.91	9.70	-65.93
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300005646692	0	43	0.0	-70.35	361.54	9.03	-61.32
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C=C1	REAL300005646693	0	51	0.0	-57.71	380.72	9.41	-48.30
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C=C1	REAL300005646694	0	52	0.0	-76.72	403.70	12.07	-64.65
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005646695	0	52	0.0	-27.87	387.76	10.98	-16.89
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300005646696	0	52	0.0	-84.41	407.03	11.60	-72.81
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC2=CC(C(=O)[O-])=CS2)C=C1	REAL300005646697	0	46	0.0	-75.00	384.91	9.84	-65.16
CC1=CC=C(C(C[NH+](C)C)NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300005646698	0	49	0.0	-80.49	397.91	10.73	-69.76
CC1=CC=C(C(C[NH+](C)C)NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C=C1	REAL300005646699	0	49	0.0	-61.45	376.63	9.76	-51.69
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C=C1	REAL300005646700	0	53	0.0	-66.07	417.71	11.56	-54.51
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300005646701	0	46	0.0	-70.38	366.77	10.51	-59.87
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300005646702	0	50	0.0	-74.74	397.84	10.78	-63.96
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300005646703	0	46	0.0	-73.53	368.57	10.00	-63.53
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300005646704	0	43	0.0	-63.86	362.99	9.18	-54.68
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=CC(C(=O)[O-])=N2)=C1	REAL300005646705	0	45	0.0	-57.69	365.54	8.91	-48.78
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300005646706	0	52	0.0	-77.91	412.79	11.98	-65.93
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=NC(C(=O)[O-])=C2)=C1	REAL300005646707	0	45	0.0	-76.81	364.65	8.24	-68.57
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300005646708	0	50	0.0	-76.18	401.31	11.71	-64.47
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300005646709	0	48	0.0	-66.63	391.81	10.94	-55.69
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300005646710	0	48	0.0	-66.63	391.81	10.94	-55.69
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300005646711	0	43	0.0	-57.36	353.21	8.91	-48.45
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCC2=CC=CC=C2C(=O)[O-])=C1	REAL300005646712	0	52	0.0	-67.07	402.25	11.59	-55.48
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300005646713	0	56	0.0	-76.42	445.81	12.45	-63.97
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300005646714	0	49	0.0	-75.18	395.33	11.29	-63.89
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2CCCC(C(=O)[O-])C2)=C1	REAL300005646715	0	52	0.0	-76.28	386.09	10.58	-65.70
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])N=C2)=C1	REAL300005646716	0	45	0.0	-69.58	361.69	8.52	-61.06
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=N2)=C1	REAL300005646717	0	45	0.0	-62.44	368.09	8.89	-53.55
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC(C)(C)CC(=O)[O-])=C1	REAL300005646718	0	51	0.0	-65.79	377.32	9.44	-56.35
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300005646719	0	46	0.0	-73.45	375.24	10.68	-62.77
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CN=C(C(=O)[O-])C=N2)=C1	REAL300005646720	0	44	0.0	-63.82	361.33	6.41	-57.41
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300005646721	0	52	0.0	-73.66	396.51	10.85	-62.81
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2CCC(C(=O)[O-])CC2)=C1	REAL300005646722	0	52	0.0	-71.86	387.91	10.25	-61.61
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300005646723	0	49	0.0	-81.12	390.67	11.00	-70.12
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CN2C=C(C(=O)[O-])N=N2)=C1	REAL300005646724	0	45	0.0	-77.67	370.14	6.66	-71.01
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C(C)=N2)=C1	REAL300005646725	0	48	0.0	-60.72	381.82	8.76	-51.96
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300005646726	0	46	0.0	-70.38	366.77	10.51	-59.87
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300005646727	0	49	0.0	-69.89	377.11	9.56	-60.33
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300005646728	0	49	0.0	-68.80	390.76	10.77	-58.03
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=C(CC(=O)[O-])OC=C2)=C1	REAL300005646729	0	46	0.0	-65.71	371.15	8.95	-56.76
CC1=COC(CC(=O)[O-])=C1C(=O)NC(C[NH+](C)C)C1=CC(C)=CC=C1	REAL300005646730	0	49	0.0	-60.19	397.98	9.55	-50.64
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300005646731	0	45	0.0	-63.63	365.84	8.27	-55.36
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC2CCC(C(=O)[O-])CC2)=C1	REAL300005646732	0	55	0.0	-71.94	413.40	10.94	-61.00
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC(C)(C)CC(=O)[O-])=C1	REAL300005646733	0	51	0.0	-65.79	377.32	9.44	-56.35
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC(C)CC(=O)[O-])=C1	REAL300005646734	0	48	0.0	-67.26	367.59	9.06	-58.20
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)=C1	REAL300005646735	0	48	0.0	-75.07	390.12	9.32	-65.75
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)=C1	REAL300005646736	0	53	0.0	-67.53	420.85	10.73	-56.80
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=NOC(C(=O)[O-])=C2)=C1	REAL300005646737	0	42	0.0	-56.78	347.63	8.09	-48.69
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300005646738	0	59	0.0	-71.46	446.88	12.91	-58.55
CC1=C(C(=O)NC(C[NH+](C)C)C2=CC(C)=CC=C2)C=C(C(=O)[O-])O1	REAL300005646739	0	46	0.0	-64.05	374.25	9.83	-54.22
CC1=C(C(=O)[O-])OC(C(=O)NC(C[NH+](C)C)C2=CC(C)=CC=C2)=C1	REAL300005646740	0	46	0.0	-60.81	372.93	8.98	-51.83
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300005646741	0	46	0.0	-80.99	377.39	8.76	-72.23
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C=CC(=O)[O-])O2)=C1	REAL300005646742	0	47	0.0	-63.29	386.34	10.10	-53.19
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300005646743	0	50	0.0	-68.74	399.59	10.28	-58.46
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCSCC(=O)[O-])=C1	REAL300005646744	0	46	0.0	-66.09	378.00	9.19	-56.90
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=N2)=C1	REAL300005646745	0	45	0.0	-62.44	368.09	8.89	-53.55
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=NN2C)=C1	REAL300005646746	0	46	0.0	-70.48	370.31	7.68	-62.80
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=C1	REAL300005646747	0	50	0.0	-73.21	390.98	9.50	-63.71
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300005646748	0	49	0.0	-66.07	390.77	10.77	-55.30
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300005646749	0	50	0.0	-71.22	400.66	11.28	-59.94
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C=CC2=CC(C(=O)[O-])=CO2)=C1	REAL300005646750	0	47	0.0	-70.93	385.88	9.97	-60.96
CC1=CC=CC(C(C[NH+](C)C)NC(=O)COCC2=C(C(=O)[O-])N=CO2)=C1	REAL300005646751	0	49	0.0	-80.46	399.51	6.17	-74.29
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C=CC2=CC=C(C(=O)[O-])O2)=C1	REAL300005646752	0	47	0.0	-66.94	387.39	10.33	-56.61
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300005646753	0	49	0.0	-69.89	377.11	9.56	-60.33
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300005646754	0	49	0.0	-74.17	387.82	10.62	-63.55
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CN=CC(C(=O)[O-])=C2)=C1	REAL300005646755	0	45	0.0	-69.55	361.92	8.71	-60.84
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300005646756	0	48	0.0	-58.61	379.08	9.41	-49.20
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CN2C=CC(C(=O)[O-])=N2)=C1	REAL300005646757	0	46	0.0	-83.24	374.40	8.18	-75.06
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCCN2C=CC(C(=O)[O-])=N2)=C1	REAL300005646758	0	52	0.0	-85.24	416.41	10.03	-75.21
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300005646759	0	46	0.0	-57.48	353.18	9.65	-47.83
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=C1	REAL300005646760	0	53	0.0	-71.60	412.04	9.92	-61.68
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)=C1	REAL300005646761	0	53	0.0	-66.30	410.98	8.80	-57.50
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300005646762	0	46	0.0	-57.48	353.18	9.65	-47.83
CC1=C(C(=O)NC(C[NH+](C)C)C2=CC(C)=CC=C2)OC(C(=O)[O-])=C1	REAL300005646763	0	46	0.0	-61.62	372.58	9.08	-52.54
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])=C1	REAL300005646764	0	54	0.0	-50.59	380.33	10.73	-39.86
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C(C(=O)[O-])C(C)C)=C1	REAL300005646765	0	48	0.0	-53.48	366.32	9.77	-43.71
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])=C1	REAL300005646766	0	52	0.0	-65.81	378.36	10.75	-55.06
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CN2CCCC(C(=O)[O-])C2)=C1	REAL300005646767	1	54	0.0	-66.03	407.50	8.05	-57.98
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)=C1	REAL300005646768	0	53	0.0	-67.53	420.85	10.73	-56.80
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300005646769	0	53	0.0	-82.20	426.64	12.13	-70.07
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2CC3(CC3C(=O)[O-])C2)=C1	REAL300005646770	0	50	0.0	-65.66	386.63	11.18	-54.48
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300005646771	0	46	0.0	-68.56	362.86	9.67	-58.89
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)=C1	REAL300005646772	0	52	0.0	-66.16	398.45	11.11	-55.05
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300005646773	0	49	0.0	-62.49	383.82	10.65	-51.84
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2CC(C)(C(=O)[O-])C2)=C1	REAL300005646774	0	49	0.0	-56.25	373.29	9.71	-46.54
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=NN2)=C1	REAL300005646775	0	43	0.0	-72.72	352.05	6.42	-66.30
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CN=CC(C(=O)[O-])=C2C)=C1	REAL300005646776	0	48	0.0	-66.23	373.33	8.75	-57.48
CCCC(C(=O)[O-])C(=O)NC(C[NH+](C)C)C1=CC=CC(C)=C1	REAL300005646777	0	48	0.0	-52.07	369.02	9.26	-42.81
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300005646778	0	49	0.0	-69.75	380.83	11.03	-58.72
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300005646779	0	46	0.0	-72.38	383.20	11.12	-61.26
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)=C1	REAL300005646780	0	53	0.0	-70.68	409.65	10.89	-59.79
COC1=CC(C(=O)[O-])=NC(C(=O)NC(C[NH+](C)C)C2=CC=CC(C)=C2)=C1	REAL300005646781	0	49	0.0	-59.48	396.17	7.59	-51.89
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C(=O)[O-])N2C)=C1	REAL300005646782	0	47	0.0	-63.18	368.41	9.37	-53.81
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300005646783	0	52	0.0	-70.30	410.37	12.09	-58.21
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC2(CC(=O)[O-])CC2)=C1	REAL300005646784	0	49	0.0	-61.18	379.54	9.74	-51.44
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=C1	REAL300005646785	0	50	0.0	-74.97	404.73	11.12	-63.85
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CSC(C(=O)[O-])=N2)=C1	REAL300005646786	0	42	0.0	-54.92	357.09	7.76	-47.16
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=C1	REAL300005646787	0	46	0.0	-51.23	347.83	9.94	-41.29
CC1=C(C(=O)NC(C[NH+](C)C)C2=CC(C)=CC=C2)C=C(C(=O)[O-])S1	REAL300005646788	0	46	0.0	-61.81	379.96	10.47	-51.34
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)=C1	REAL300005646789	0	46	0.0	-74.98	400.93	11.27	-63.71
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC(C[NH+](C)C)C2=CC=CC(C)=C2)=C1	REAL300005646790	0	50	0.0	-68.65	405.91	9.70	-58.95
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)=C1	REAL300005646791	0	49	0.0	-72.20	403.35	11.27	-60.93
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCC2=CC=CN=C2C(=O)[O-])=C1	REAL300005646792	0	51	0.0	-53.19	398.46	9.86	-43.33
CC1=CC=CC(C(C[NH+](C)C)NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300005646793	0	50	0.0	-76.15	401.30	11.71	-64.44
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)=C1	REAL300005646794	0	47	0.0	-62.07	396.29	9.71	-52.36
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)=C1	REAL300005646795	0	47	0.0	-72.38	393.71	9.16	-63.22
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)=C1	REAL300005646796	0	47	0.0	-64.70	384.77	8.13	-56.57
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300005646797	0	49	0.0	-72.45	377.92	10.51	-61.94
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)=C1	REAL300005646798	0	49	0.0	-80.33	401.40	10.11	-70.22
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300005646799	0	43	0.0	-68.00	357.36	9.32	-58.68
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=C1	REAL300005646800	0	51	0.0	-59.46	388.14	8.05	-51.41
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)=C1	REAL300005646801	0	52	0.0	-75.51	404.47	12.08	-63.43
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=C1	REAL300005646802	0	52	0.0	-59.65	396.37	10.12	-49.53
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300005646803	0	52	0.0	-79.07	409.27	11.12	-67.95
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC2=CC(C(=O)[O-])=CS2)=C1	REAL300005646804	0	46	0.0	-76.99	386.87	10.43	-66.56
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300005646805	0	49	0.0	-87.67	396.63	11.33	-76.34
CC1=CC=CC(C(C[NH+](C)C)NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)=C1	REAL300005646806	0	49	0.0	-41.68	367.21	9.98	-31.70
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)=C1	REAL300005646807	0	53	0.0	-66.09	417.33	11.53	-54.56
COC1=CC2=C(C=C1C)CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300005646910	0	51	0.0	-49.85	382.79	9.68	-40.17
COC1=CC2=C(C=C1C)CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300005646910	1	51	0.0	-50.93	382.69	9.70	-41.23
CC1=CC2=C(C=C1O)CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300005647034	0	48	0.0	-50.22	364.32	7.53	-42.69
CC1=CC2=C(C=C1O)CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300005647034	1	48	0.0	-51.45	364.22	7.55	-43.90
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2CCC3=C(Cl)C=CC=C32)C1	REAL300005647157	0	44	0.0	-48.45	348.81	9.16	-39.29
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2CCC3=C(Cl)C=CC=C32)C1	REAL300005647157	1	44	0.0	-49.28	356.43	9.16	-40.12
CN1C=CN=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300005647271	1	43	0.0	-47.80	345.59	6.78	-41.02
CN1C=CN=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300005647271	1	43	0.0	-51.19	345.67	6.78	-44.41
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(C3=CC=CC=C3)=CC=C2F)C1	REAL300005647390	1	47	0.0	-48.56	363.76	10.85	-37.71
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(C3=CC=CC=C3)=CC=C2F)C1	REAL300005647390	1	47	0.0	-49.82	369.22	10.82	-39.00
CC1=NN(CCO)C=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005647540	0	47	0.0	-51.07	367.60	3.27	-47.80
CC1=NN(CCO)C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005647540	1	47	0.0	-52.75	372.88	3.24	-49.51
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC3(CCOC3)OC3=CC=CC=C32)C1	REAL300005647660	0	53	0.0	-51.15	387.22	7.15	-44.00
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC3(CCOC3)OC3=CC=CC=C32)C1	REAL300005647660	1	53	0.0	-51.56	386.65	6.72	-44.84
O=C([O-])C1CCC[N@H+](CC(=O)NC2(CC3=CC=C(F)C=C3F)CC2)C1	REAL300005647774	0	47	0.0	-44.87	360.96	9.37	-35.50
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(CC3=CC=C(F)C=C3F)CC2)C1	REAL300005647774	1	47	0.0	-48.29	374.98	9.68	-38.61
O=C([O-])CCC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(F)(F)F	REAL300005648908	0	52	0.0	-75.29	409.67	10.51	-64.78
O=C([O-])CCC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(F)(F)F	REAL300005649541	0	49	0.0	-63.48	386.79	9.54	-53.94
O=C([O-])CCC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(F)(F)F	REAL300005649541	1	49	0.0	-65.34	392.11	9.96	-55.38
O=C([O-])CCC(CNC(=O)C1CC[NH+](C2CC2)CC1)C(F)(F)F	REAL300005650432	0	46	0.0	-70.04	358.31	8.20	-61.84
O=C([O-])CCC(CNC(=O)C1CCC[N@@H+]1C1CC1)C(F)(F)F	REAL300005650458	0	43	0.0	-65.28	341.41	7.33	-57.95
O=C([O-])CCC(CNC(=O)C1CCC[N@H+]1C1CC1)C(F)(F)F	REAL300005650458	1	43	0.0	-64.38	338.90	7.20	-57.18
CC1=[NH+]C=C2CCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CN12	REAL300005650464	1	44	0.0	-63.06	357.20	8.09	-54.97
O=C([O-])CCC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(F)(F)F	REAL300005650465	0	52	0.0	-65.33	404.13	10.00	-55.33
C[N@@H+]1CCCCC1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005650546	0	42	0.0	-64.70	321.63	6.84	-57.86
C[N@H+]1CCCCC1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005650546	1	42	0.0	-63.07	330.26	6.95	-56.12
CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)N1CC[NH+](C)CC1	REAL300005650547	1	47	0.0	-68.96	361.95	5.17	-63.79
C[N@@H+]1CCCC[C@H]1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005650589	0	42	0.0	-63.42	330.53	6.92	-56.50
C[N@H+]1CCCC[C@H]1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005650589	1	42	0.0	-65.10	321.27	6.77	-58.33
C[NH+]1CCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005650677	0	42	0.0	-72.89	333.45	6.99	-65.90
O=C([O-])CCC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(F)(F)F	REAL300005650702	0	37	0.0	-69.84	319.03	8.83	-61.01
C[NH+](C)CC1(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CCCCC1	REAL300005650735	0	51	0.0	-69.66	371.83	8.69	-60.97
C[N@H+](CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1CCCCC1	REAL300005650740	0	51	0.0	-70.08	387.27	8.92	-61.16
C[N@@H+](CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1CCCCC1	REAL300005650740	1	51	0.0	-70.09	387.27	8.93	-61.16
O=C([O-])CCC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(F)(F)F	REAL300005650757	1	49	0.0	-67.27	393.17	9.60	-57.67
O=C([O-])CCC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(F)(F)F	REAL300005650757	1	49	0.0	-67.16	393.31	9.60	-57.56
C[NH+]1CCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005650810	0	42	0.0	-72.89	333.45	6.99	-65.90
O=C([O-])CCC(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(F)(F)F	REAL300005650815	0	45	0.0	-74.26	378.60	8.02	-66.24
O=C([O-])CCC(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(F)(F)F	REAL300005650838	0	52	0.0	-60.78	385.67	9.11	-51.67
O=C([O-])CCC(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(F)(F)F	REAL300005650838	1	52	0.0	-62.36	381.48	9.27	-53.09
O=C([O-])CCC(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(F)(F)F	REAL300005650839	0	53	0.0	-74.95	400.59	7.60	-67.35
CC1=[NH+]C=CN1CCCC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005650872	1	43	0.0	-66.78	359.47	8.23	-58.55
O=C([O-])CCC(CNC(=O)CCCC[NH+]1CCOCC1)C(F)(F)F	REAL300005650873	1	49	0.0	-73.71	386.76	6.92	-66.79
CC[N@H+](CC1=CC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C=C1)C(C)C	REAL300005650876	0	54	0.0	-74.55	414.78	10.42	-64.13
CC[N@@H+](CC1=CC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C=C1)C(C)C	REAL300005650876	1	54	0.0	-74.25	406.26	10.00	-64.25
O=C([O-])CCC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005650926	0	49	0.0	-69.95	393.76	9.78	-60.17
O=C([O-])CCC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005650926	1	49	0.0	-69.42	393.86	9.84	-59.58
O=C([O-])CCC(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(F)(F)F	REAL300005650927	0	50	0.0	-77.04	388.67	8.97	-68.07
O=C([O-])CCC(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(F)(F)F	REAL300005650952	0	53	0.0	-69.49	385.53	7.30	-62.19
CCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[NH+](CC)CC	REAL300005650956	0	47	0.0	-60.67	352.12	7.48	-53.19
CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300005650958	0	48	0.0	-67.40	383.60	9.32	-58.08
CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300005650958	1	48	0.0	-67.31	383.49	9.32	-57.99
C[NH+](C)CC1=CC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C=N1	REAL300005650990	0	44	0.0	-75.01	362.45	6.96	-68.05
CCC[NH+](CCC)CCCC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005650999	0	53	0.0	-69.62	411.20	9.61	-60.01
CC[N@H+](C)C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300005651000	0	48	0.0	-64.79	376.17	9.38	-55.41
CC[N@@H+](C)C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300005651000	1	48	0.0	-63.21	382.14	9.45	-53.76
C[N@@H+]1CCOC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005651002	1	40	0.0	-69.95	318.80	5.61	-64.34
C[N@H+]1CCOC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005651002	1	40	0.0	-77.52	326.24	5.78	-71.74
CC[NH+](CC)C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300005651005	0	51	0.0	-64.17	390.39	9.62	-54.55
CC(C)C1=[NH+]C=CN1CC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651014	1	43	0.0	-62.46	354.51	8.06	-54.40
C[NH+](C)C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1=CC=C(Cl)C=C1	REAL300005651019	1	45	0.0	-67.23	380.31	9.34	-57.89
O=C([O-])CCC(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(F)(F)F	REAL300005651032	0	49	0.0	-77.34	390.57	9.89	-67.45
O=C([O-])CCC(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(F)(F)F	REAL300005651040	0	52	0.0	-71.72	408.21	10.66	-61.06
C[NH+](C)CC1(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651046	0	42	0.0	-67.33	338.01	7.17	-60.16
C[NH+](C)CCCCC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651055	0	44	0.0	-71.84	354.22	7.47	-64.37
CC(C)C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[NH+](C)C	REAL300005651064	0	44	0.0	-66.64	334.72	7.44	-59.20
O=C([O-])CCC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(F)(F)F	REAL300005651077	0	52	0.0	-64.15	407.29	10.48	-53.67
O=C([O-])CCC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(F)(F)F	REAL300005651077	1	52	0.0	-64.52	397.77	10.32	-54.20
CC1=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C=NN1C1=CC=[NH+]C=C1	REAL300005651079	1	43	0.0	-77.10	363.03	7.19	-69.91
O=C([O-])CCC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(F)(F)F	REAL300005651087	0	52	0.0	-77.84	407.90	10.62	-67.22
O=C([O-])CCC(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(F)(F)F	REAL300005651101	1	45	0.0	-75.63	372.27	7.43	-68.20
C[NH+](C)CCC1=CC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C=C1	REAL300005651102	0	48	0.0	-79.95	389.14	9.65	-70.30
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651114	1	41	0.0	-61.06	338.04	6.39	-54.67
O=C([O-])CCC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(F)(F)F	REAL300005651116	1	50	0.0	-73.80	395.84	9.21	-64.59
O=C([O-])CCC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(F)(F)F	REAL300005651116	1	50	0.0	-71.64	395.89	9.21	-62.43
C[N@H+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1CCC1	REAL300005651147	0	42	0.0	-64.39	335.07	7.32	-57.07
C[N@@H+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1CCC1	REAL300005651147	1	42	0.0	-64.58	334.98	7.31	-57.27
CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[NH+]1CCSCC1	REAL300005651170	1	43	0.0	-66.85	342.90	7.21	-59.64
C[N@H+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC(C)(C)C	REAL300005651176	0	47	0.0	-66.54	356.24	7.79	-58.75
C[N@@H+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC(C)(C)C	REAL300005651176	1	47	0.0	-66.29	358.44	7.93	-58.36
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651178	0	48	0.0	-70.29	387.99	9.77	-60.52
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651178	1	48	0.0	-70.25	387.63	9.76	-60.49
COCCOCC[N@H+](C)CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651179	0	52	0.0	-70.04	416.72	5.97	-64.07
COCCOCC[N@@H+](C)CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651179	1	52	0.0	-70.97	417.03	5.96	-65.01
C[N@@H+]1CCCC(O)(CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005651184	0	46	0.0	-64.11	349.28	5.49	-58.62
C[N@H+]1CCCC(O)(CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005651184	1	46	0.0	-63.52	359.15	5.68	-57.84
O=C([O-])CCC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(F)(F)F	REAL300005651205	1	51	0.0	-68.57	402.29	8.72	-59.85
O=C([O-])CCC(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(F)(F)F	REAL300005651205	1	51	0.0	-67.83	402.49	8.73	-59.10
O=C([O-])CCC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(F)(F)F	REAL300005651206	1	51	0.0	-65.12	402.06	8.63	-56.49
O=C([O-])CCC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(F)(F)F	REAL300005651206	1	51	0.0	-66.26	393.14	8.66	-57.60
CCCCCC[N@H+](C)CC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651208	0	50	0.0	-67.86	392.22	9.09	-58.77
CCCCCC[N@@H+](C)CC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651208	1	50	0.0	-67.79	392.58	9.08	-58.71
O=C([O-])CCC(CNC(=O)C12CCC[NH+]1CCC2)C(F)(F)F	REAL300005651218	0	43	0.0	-66.38	333.15	7.31	-59.07
O=C([O-])CCC(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(F)(F)F	REAL300005651226	1	37	0.0	-74.49	319.30	8.84	-65.65
C[N@H+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1CCSC1	REAL300005651240	0	43	0.0	-71.78	349.22	7.55	-64.23
C[N@@H+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1CCSC1	REAL300005651240	1	43	0.0	-72.13	348.19	7.56	-64.57
CC(C)[NH+]1CCN(CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651256	0	53	0.0	-69.11	404.21	6.51	-62.60
CC(C)N1CC[NH+](CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651256	1	53	0.0	-69.85	400.16	6.30	-63.55
CC(C)[NH+]1CCN(CCCC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651257	0	56	0.0	-67.93	425.70	7.32	-60.61
CC(C)N1CC[NH+](CCCC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651257	1	56	0.0	-70.77	421.66	7.10	-63.67
O=C([O-])CCC(CNC(=O)C1CCCC2CCC[N@@H+]21)C(F)(F)F	REAL300005651258	0	46	0.0	-63.46	345.21	7.91	-55.55
O=C([O-])CCC(CNC(=O)C1CCCC2CCC[N@H+]21)C(F)(F)F	REAL300005651258	1	46	0.0	-63.78	345.18	7.90	-55.88
C[NH+](C)CCN1C=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C=N1	REAL300005651260	0	45	0.0	-77.76	372.81	6.84	-70.92
O=C([O-])CCC(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(F)(F)F	REAL300005651271	0	51	0.0	-72.30	404.75	8.75	-63.55
O=C([O-])CCC(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(F)(F)F	REAL300005651271	1	51	0.0	-72.17	404.82	8.66	-63.51
CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005651276	1	49	0.0	-65.95	384.30	9.85	-56.10
CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[N@H+]1CCC2=CC=CC=C2C1	REAL300005651276	1	49	0.0	-66.96	383.91	9.90	-57.06
CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[NH+](C)C	REAL300005651297	0	44	0.0	-65.93	343.24	7.28	-58.65
O=C([O-])CCC(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005651299	0	52	0.0	-74.03	413.90	10.57	-63.46
O=C([O-])CCC(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005651299	1	52	0.0	-73.85	413.68	10.58	-63.27
C[NH+](C)CCN1C=CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)=N1	REAL300005651314	0	45	0.0	-81.38	373.54	6.84	-74.54
C[NH+](C)CCN1N=CC=C1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651315	0	45	0.0	-62.68	368.75	6.79	-55.89
C[C@@H]1[C@H](C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC[N@@H+]1C	REAL300005651320	0	42	0.0	-69.75	326.22	6.53	-63.22
C[C@@H]1[C@H](C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC[N@H+]1C	REAL300005651320	1	42	0.0	-69.09	330.76	6.73	-62.36
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651322	1	46	0.0	-63.37	374.45	8.53	-54.84
CC[C@@H]1[C@@H](C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC[N@@H+]1C	REAL300005651325	0	45	0.0	-69.71	346.10	7.00	-62.71
CC[C@@H]1[C@@H](C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC[N@H+]1C	REAL300005651325	1	45	0.0	-69.14	351.04	7.35	-61.79
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651328	1	41	0.0	-63.52	335.60	7.19	-56.33
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651328	1	41	0.0	-63.58	341.09	7.62	-55.96
CC1C[N@H+](C)CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)O1	REAL300005651335	1	43	0.0	-76.51	340.73	6.50	-70.01
CC1C[N@@H+](C)CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)O1	REAL300005651335	1	43	0.0	-78.38	347.06	6.51	-71.87
O=C([O-])CCC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(F)(F)F	REAL300005651341	1	48	0.0	-64.42	383.21	7.90	-56.52
O=C([O-])CCC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(F)(F)F	REAL300005651341	1	48	0.0	-62.53	382.68	7.72	-54.81
CC1=[NH+]C=CN1CC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651345	1	37	0.0	-63.72	316.90	6.91	-56.81
CC(C[NH+]1CCOCC1)C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651347	0	46	0.0	-63.93	359.12	6.21	-57.72
CC1CC[NH+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651362	0	45	0.0	-66.99	351.74	7.83	-59.16
CC[N@@H+]1CCOC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005651374	1	43	0.0	-75.65	343.69	6.42	-69.23
CC[N@H+]1CCOC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005651374	1	43	0.0	-67.34	336.91	6.27	-61.07
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651412	1	52	0.0	-79.83	406.41	8.76	-71.07
O=C([O-])CCC(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(F)(F)F	REAL300005651413	0	52	0.0	-67.14	394.35	9.25	-57.89
O=C([O-])CCC(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(F)(F)F	REAL300005651413	1	52	0.0	-69.35	394.19	9.21	-60.14
C[N@@H+]1CCCC1CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651420	0	45	0.0	-68.46	349.95	7.34	-61.12
C[N@H+]1CCCC1CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651420	1	45	0.0	-68.49	350.69	7.41	-61.08
O=C([O-])CCC(CNC(=O)C12CCC[NH+](CCC1)C2)C(F)(F)F	REAL300005651433	0	46	0.0	-69.44	345.88	7.52	-61.92
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651435	0	43	0.0	-69.99	336.43	3.63	-66.36
C[N@H+]1CC(O)CC1(C)C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651435	1	43	0.0	-70.26	336.58	3.42	-66.84
O=C([O-])CCC(CNC(=O)C1CCC2CCCC[N@@H+]21)C(F)(F)F	REAL300005651436	0	46	0.0	-63.49	349.72	7.80	-55.69
O=C([O-])CCC(CNC(=O)C1CCC2CCCC[N@H+]21)C(F)(F)F	REAL300005651436	1	46	0.0	-63.35	349.32	7.82	-55.53
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651443	0	49	0.0	-65.55	369.59	6.50	-59.05
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C=N1	REAL300005651448	0	52	0.0	-79.71	405.25	7.71	-72.00
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C=N1	REAL300005651448	1	52	0.0	-79.69	405.23	7.72	-71.97
CC(C)[NH+]1CCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651460	0	48	0.0	-69.80	364.11	7.94	-61.86
O=C([O-])CCC(CNC(=O)C12CC[NH+](CC1)C2)C(F)(F)F	REAL300005651540	0	40	0.0	-70.71	320.49	5.85	-64.86
O=C([O-])CCC(CNC(=O)C12CC[N@H+](C1)CCC2)C(F)(F)F	REAL300005651550	0	43	0.0	-73.52	330.79	6.56	-66.96
O=C([O-])CCC(CNC(=O)C12CC[N@@H+](C1)CCC2)C(F)(F)F	REAL300005651550	1	43	0.0	-69.80	330.42	6.56	-63.24
CC1CCC(C)[NH+]1CC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651598	0	45	0.0	-62.74	345.52	7.21	-55.53
C[NH+](C)CC1=CC=CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)=C1	REAL300005651599	0	45	0.0	-72.93	366.70	8.82	-64.11
O=C([O-])CCC(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005651600	0	52	0.0	-68.33	409.99	10.53	-57.80
O=C([O-])CCC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005651600	1	52	0.0	-68.36	409.59	10.52	-57.84
C[NH+](C)C1(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CCC1	REAL300005651640	0	42	0.0	-70.01	318.44	6.94	-63.07
C#CC[NH+]1CCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651671	0	44	0.0	-73.67	358.63	8.20	-65.47
CCC[N@@H+]1CCCCC1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651673	0	48	0.0	-64.09	360.68	8.16	-55.93
CCC[N@H+]1CCCCC1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651673	1	48	0.0	-63.65	360.63	8.17	-55.48
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651674	0	45	0.0	-57.39	359.70	9.19	-48.20
CC[NH+]1CCN(CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651676	0	50	0.0	-71.12	386.30	5.85	-65.27
CCN1CC[NH+](CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651676	1	50	0.0	-69.97	387.10	5.98	-63.99
CC(C)C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[NH+]1CCCCC1	REAL300005651677	0	51	0.0	-63.79	380.22	8.76	-55.03
C[NH+](C)C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300005651678	1	45	0.0	-63.48	363.18	8.82	-54.66
O=C([O-])CCC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005651682	0	50	0.0	-68.02	401.49	6.74	-61.28
O=C([O-])CCC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005651682	1	50	0.0	-67.20	402.57	6.81	-60.39
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651687	1	46	0.0	-63.13	373.94	8.49	-54.64
C[NH+](C)CC1=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)OC2=CC=CC=C21	REAL300005651688	0	48	0.0	-61.86	393.84	9.16	-52.70
O=C([O-])CCC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C(F)(F)F	REAL300005651694	0	49	0.0	-66.43	364.48	8.67	-57.76
O=C([O-])CCC(CNC(=O)C1CCC[N@H+]1C1CCCC1)C(F)(F)F	REAL300005651694	1	49	0.0	-64.44	374.40	8.71	-55.73
CC[N@H+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1CC1	REAL300005651696	0	42	0.0	-64.08	334.94	7.30	-56.78
CC[N@@H+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1CC1	REAL300005651696	1	42	0.0	-65.33	329.93	7.23	-58.10
CC(C)C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[NH+]1CC(C)OC(C)C1	REAL300005651725	1	55	0.0	-63.53	413.56	8.44	-55.09
CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[NH+]1CCCCCC1	REAL300005651726	0	48	0.0	-62.97	359.68	8.11	-54.86
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)=CC=C1N2	REAL300005651768	1	50	0.0	-77.44	401.44	9.25	-68.19
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)=CC=C1N2	REAL300005651768	1	50	0.0	-77.18	401.83	9.26	-67.92
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)O1	REAL300005651818	0	48	0.0	-73.02	389.24	8.54	-64.48
O=C([O-])CCC(CNC(=O)CCCC[NH+]1CCCC1)C(F)(F)F	REAL300005651819	0	48	0.0	-70.32	380.19	8.65	-61.67
CC1=CC=C(N2CCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC2)[NH+]=C1	REAL300005651821	1	51	0.0	-68.18	402.88	8.41	-59.77
C[N@H+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1=CC=CC=C1	REAL300005651822	1	45	0.0	-70.85	365.15	8.92	-61.93
C[N@@H+](CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1=CC=CC=C1	REAL300005651822	1	45	0.0	-70.85	365.17	8.92	-61.93
CC(C)[C@@H](C(=O)NCC(CCC(=O)[O-])C(F)(F)F)[NH+](C)C	REAL300005651833	0	44	0.0	-66.75	332.49	7.51	-59.24
O=C([O-])CCC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(F)(F)F	REAL300005651851	1	40	0.0	-76.42	347.79	6.77	-69.65
C[NH+](C)CC1=CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)=NO1	REAL300005651880	1	41	0.0	-77.05	346.96	6.30	-70.75
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651884	0	52	0.0	-71.76	410.29	10.31	-61.45
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651884	1	52	0.0	-71.80	410.72	10.47	-61.33
CC(C)[N@@H+]1CCCC1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651898	0	45	0.0	-63.86	340.95	7.59	-56.27
CC(C)[N@H+]1CCCC1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005651898	1	45	0.0	-62.28	347.63	7.46	-54.82
C[NH+]1CCC(OCC(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005651924	0	46	0.0	-76.04	368.45	7.42	-68.62
O=C([O-])CCC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(F)(F)F	REAL300005651929	0	49	0.0	-75.19	394.65	9.01	-66.18
CCC[N@@H+]1CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005652121	0	48	0.0	-67.82	372.63	8.36	-59.46
CCC[N@H+]1CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005652121	1	48	0.0	-67.91	372.24	8.34	-59.57
CC(C)C[N@@H+]1CCCC1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005652152	0	48	0.0	-65.37	362.49	8.60	-56.77
CC(C)C[N@H+]1CCCC1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005652152	1	48	0.0	-64.02	367.79	7.99	-56.03
O=C([O-])CCC(CNC(=O)C[NH+]1CCC(CO)CC1)C(F)(F)F	REAL300005652153	1	46	0.0	-68.00	362.58	4.52	-63.48
O=C([O-])CCC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(F)(F)F	REAL300005652259	0	53	0.0	-72.18	417.60	10.80	-61.38
O=C([O-])CCC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(F)(F)F	REAL300005652259	1	53	0.0	-75.74	419.56	10.74	-65.00
CC(C)[N@@H+]1CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005652389	0	48	0.0	-60.60	361.52	8.33	-52.27
CC(C)[N@H+]1CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005652389	1	48	0.0	-60.66	361.12	8.33	-52.33
C[N@@H+]1CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C(C(F)(F)F)C1	REAL300005652390	0	42	0.0	-74.70	343.06	7.07	-67.63
C[N@H+]1CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C(C(F)(F)F)C1	REAL300005652390	1	42	0.0	-73.96	346.05	6.84	-67.12
CC1=C(C)[NH+]=C(CCC(=O)NCC(CCC(=O)[O-])C(F)(F)F)N1	REAL300005652416	1	43	0.0	-63.83	358.73	6.62	-57.21
C[NH+](C)CCC1=CC=CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)=C1	REAL300005652913	0	48	0.0	-74.21	389.14	9.65	-64.56
C[NH+](C)CCOC1=CC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C=C1	REAL300005652920	0	49	0.0	-77.68	396.44	8.60	-69.08
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005653057	0	42	0.0	-69.26	338.40	7.07	-62.19
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(CCC(=O)[O-])C(F)(F)F)CC1	REAL300005653061	0	48	0.0	-64.28	361.16	8.03	-56.25
CC(C)C[N@@H+]1CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005653129	0	51	0.0	-67.26	389.68	9.02	-58.24
CC(C)C[N@H+]1CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005653129	1	51	0.0	-67.26	389.68	9.02	-58.24
CC[N@@H+]1CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005653130	0	45	0.0	-61.18	344.49	7.81	-53.37
CC[N@H+]1CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005653130	1	45	0.0	-61.18	344.49	7.81	-53.37
C[N@@H+]1CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005653134	0	42	0.0	-61.47	327.17	7.17	-54.30
C[N@H+]1CCCC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005653134	1	42	0.0	-61.47	327.17	7.17	-54.30
CN(C)CC1=CC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)O1	REAL300005653136	0	42	0.0	-76.50	353.08	7.13	-69.37
C[NH+](C)CC1=CC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)O1	REAL300005653136	1	42	0.0	-76.50	353.08	7.13	-69.37
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005653142	0	51	0.0	-71.66	378.86	8.47	-63.19
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C1	REAL300005653142	1	51	0.0	-71.66	378.86	8.47	-63.19
O=C([O-])CCC(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(F)(F)F	REAL300005653145	0	44	0.0	-66.41	343.93	8.48	-57.93
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCC3=C(Cl)C=CC=C32)C1	REAL300005653225	0	44	0.0	-47.99	348.13	8.71	-39.28
O=C([O-])CCN1C=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300005654619	0	50	0.0	-75.78	394.40	10.39	-65.39
O=C([O-])CCN1C=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300005655389	1	47	0.0	-67.38	378.62	9.89	-57.49
O=C([O-])CCN1C=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300005655389	1	47	0.0	-66.39	377.23	9.83	-56.56
O=C([O-])CCN1C=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=N1	REAL300005656313	0	44	0.0	-69.98	342.76	8.03	-61.95
CC1=[NH+]C=C2CCC(C(=O)NC3=NN(CCC(=O)[O-])C=C3)CN21	REAL300005656341	1	42	0.0	-63.42	341.70	7.92	-55.50
O=C([O-])CCN1C=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=N1	REAL300005656342	0	50	0.0	-67.33	388.73	9.84	-57.49
CC1=NC(C[NH+]2CCC(C(=O)NC3=NN(CCC(=O)[O-])C=C3)CC2)=CS1	REAL300005656418	1	49	0.0	-74.31	401.48	8.11	-66.20
CC(C(=O)NC1=NN(CCC(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300005656419	1	45	0.0	-70.37	346.60	5.01	-65.36
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=NN(CCC(=O)[O-])C=C2)C=C1	REAL300005656503	0	53	0.0	-73.42	427.41	9.93	-63.49
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=NN(CCC(=O)[O-])C=C2)=C1	REAL300005656515	0	53	0.0	-77.10	428.19	12.27	-64.83
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=NN(CCC(=O)[O-])C=C2)=C1	REAL300005656515	1	53	0.0	-77.54	428.13	12.25	-65.29
CC1(C(=O)NC2=NN(CCC(=O)[O-])C=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005656517	0	53	0.0	-67.67	407.14	10.80	-56.87
C[NH+](C)CC1(C(=O)NC2=NN(CCC(=O)[O-])C=C2)CCCCC1	REAL300005656602	0	49	0.0	-69.21	357.80	8.72	-60.49
C[N@H+](CCC(=O)NC1=NN(CCC(=O)[O-])C=C1)C1CCCCC1	REAL300005656606	0	49	0.0	-71.40	371.75	8.76	-62.64
C[N@@H+](CCC(=O)NC1=NN(CCC(=O)[O-])C=C1)C1CCCCC1	REAL300005656606	1	49	0.0	-71.44	371.75	8.78	-62.66
O=C([O-])CCN1C=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=N1	REAL300005656687	0	43	0.0	-73.21	362.57	7.82	-65.39
C[NH+](C)CCN1N=CC(C(=O)NC2=NN(CCC(=O)[O-])C=C2)=C1C1=CC=CC=C1	REAL300005656692	0	53	0.0	-75.71	430.76	9.99	-65.72
O=C([O-])CCN1C=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=N1	REAL300005656717	0	50	0.0	-63.91	365.99	9.09	-54.82
O=C([O-])CCN1C=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=N1	REAL300005656717	1	50	0.0	-63.97	365.99	9.09	-54.88
O=C([O-])CCN1C=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=N1	REAL300005656718	0	51	0.0	-66.37	378.54	7.30	-59.07
CC1=[NH+]C=CN1CCCC(=O)NC1=NN(CCC(=O)[O-])C=C1	REAL300005656749	1	41	0.0	-67.49	344.32	8.08	-59.41
O=C([O-])CCN1C=CC(NC(=O)CCCC[NH+]2CCOCC2)=N1	REAL300005656750	1	47	0.0	-74.12	371.61	6.76	-67.36
CC[N@H+](CC1=CC=C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300005656752	0	52	0.0	-72.80	400.02	10.28	-62.52
CC[N@@H+](CC1=CC=C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300005656752	1	52	0.0	-74.89	391.61	10.01	-64.88
O=C([O-])CCN1C=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300005656777	0	47	0.0	-71.89	378.00	9.64	-62.25
O=C([O-])CCN1C=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300005656777	1	47	0.0	-71.56	378.30	9.63	-61.93
O=C([O-])CCN1C=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=N1	REAL300005656778	0	48	0.0	-77.38	373.13	8.81	-68.57
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CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658900	0	46	0.0	-70.86	355.63	11.04	-59.82
CN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658901	0	50	0.0	-67.95	386.25	11.28	-56.67
CN(C(=O)C1=CC=CC(C(=O)[O-])=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658902	0	46	0.0	-86.06	361.16	10.68	-75.38
CN(C(=O)C1=CC=C(C(=O)[O-])S1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658903	0	43	0.0	-68.48	345.50	10.07	-58.41
CN(C(=O)C1=CC=CC(C(=O)[O-])=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658904	0	45	0.0	-58.36	351.44	10.20	-48.16
CC(SC1=CC=CC=C1C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1)C(=O)[O-]	REAL300005658905	0	53	0.0	-86.42	409.79	12.20	-74.22
CN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658906	0	52	0.0	-80.03	401.08	12.89	-67.14
CN(C(=O)C1=CC=NC(C(=O)[O-])=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658907	0	45	0.0	-85.96	350.40	9.92	-76.04
CN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658908	0	50	0.0	-78.93	392.94	13.26	-65.67
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CN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658911	0	53	0.0	-72.51	411.32	12.66	-59.85
CN(C(=O)C1=CC=C(C(=O)[O-])O1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658912	0	43	0.0	-63.26	342.69	10.52	-52.74
CN(C(=O)CCC1=CC=CC=C1C(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658913	0	52	0.0	-65.71	396.73	12.57	-53.14
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CN(C(=O)CC1=CC=CC(C(=O)[O-])=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658915	0	49	0.0	-74.56	380.87	12.06	-62.50
CN(C(=O)C1CCCC(C(=O)[O-])C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658916	0	52	0.0	-76.12	381.21	10.74	-65.38
CN(C(=O)C1=CC=C(C(=O)[O-])N=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658917	0	45	0.0	-84.26	353.47	9.22	-75.04
CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658918	0	45	0.0	-65.32	353.10	11.00	-54.32
CN(C(=O)CC(C)(C)CC(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658919	0	51	0.0	-71.05	365.35	10.82	-60.23
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1F)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658920	0	46	0.0	-83.16	343.63	10.17	-72.99
CN(C(=O)C1=CN=C(C(=O)[O-])C=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658921	0	44	0.0	-67.69	349.53	9.00	-58.69
CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658922	0	52	0.0	-71.10	379.88	10.71	-60.39
CN(C(=O)C1CCC(C(=O)[O-])CC1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658923	0	52	0.0	-88.94	368.07	10.32	-78.62
CN(C(=O)CC1=CC=C(C(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658924	0	49	0.0	-87.57	379.68	12.07	-75.50
CN(C(=O)CN1C=C(C(=O)[O-])N=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658925	0	45	0.0	-86.20	358.01	8.00	-78.20
CC1=NC(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300005658926	0	48	0.0	-68.11	373.01	10.42	-57.69
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658927	0	46	0.0	-70.86	355.63	11.04	-59.82
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658928	0	49	0.0	-81.66	366.93	10.73	-70.93
CN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658929	0	49	0.0	-66.08	378.77	11.26	-54.82
CN(C(=O)C1=C(CC(=O)[O-])OC=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658930	0	46	0.0	-75.81	362.10	9.71	-66.10
CC1=COC(CC(=O)[O-])=C1C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658931	0	49	0.0	-68.07	387.84	10.27	-57.80
CN(C(=O)C1=CC(C(=O)[O-])=CC=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658932	0	45	0.0	-68.14	351.35	10.28	-57.86
CN(C(=O)C12CC(C(=O)[O-])(C1)C2)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658933	0	47	0.0	-70.23	355.16	10.72	-59.51
CN(C(=O)C1(C(=O)[O-])CCC1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658934	0	46	0.0	-70.75	340.33	10.67	-60.08
CN(C(=O)CC1CCC(C(=O)[O-])CC1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658935	0	55	0.0	-81.43	407.45	12.00	-69.43
CN(C(=O)C12CCC(C(=O)[O-])(CC1)C2)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658936	0	53	0.0	-82.37	382.23	11.45	-70.92
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658937	0	56	0.0	-76.58	390.23	11.77	-64.81
CN(C(=O)CC(C)(C)CC(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658938	0	51	0.0	-71.05	365.35	10.82	-60.23
CC(CC(=O)[O-])CC(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658939	0	48	0.0	-71.33	356.18	10.46	-60.87
CN(C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658940	0	48	0.0	-62.85	375.52	11.39	-51.46
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658941	0	53	0.0	-86.85	409.43	12.03	-74.82
CN(C(=O)C1=NOC(C(=O)[O-])=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658942	0	42	0.0	-60.00	334.97	9.24	-50.76
CN(C(=O)C1(C(=O)[O-])CCCC1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658943	0	49	0.0	-64.28	357.01	10.44	-53.84
CN(C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658944	0	59	0.0	-69.45	436.47	13.65	-55.80
CC1=C(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300005658945	0	46	0.0	-66.98	356.64	10.99	-55.99
CC1=C(C(=O)[O-])OC(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)=C1	REAL300005658946	0	46	0.0	-62.82	359.35	9.77	-53.05
CN(C(=O)CN1C=C(C(=O)[O-])C=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658947	0	46	0.0	-83.12	364.91	9.55	-73.57
CN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658948	0	47	0.0	-66.21	374.56	10.40	-55.81
CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658949	0	53	0.0	-55.77	385.77	11.49	-44.28
CN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658950	0	50	0.0	-71.24	384.56	11.31	-59.93
CN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658951	0	55	0.0	-73.28	423.81	12.46	-60.82
CN(C(=O)CCSCC(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658952	0	46	0.0	-69.97	366.03	10.58	-59.39
CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658953	0	45	0.0	-65.32	353.10	11.00	-54.32
CN(C(=O)C1=CC(C(=O)[O-])=NN1C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658954	0	46	0.0	-70.32	355.01	8.73	-61.59
C[C@@H]1C[C@H](C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)O[C@H]1C(=O)[O-]	REAL300005658955	0	50	0.0	-84.76	374.65	10.59	-74.17
CN(C(=O)C(C)(C)CCC(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658956	0	51	0.0	-78.15	366.42	10.42	-67.73
CN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658957	0	49	0.0	-70.42	375.69	11.79	-58.63
CN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658958	0	50	0.0	-75.24	385.65	12.31	-62.93
CN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658959	0	47	0.0	-76.95	380.91	10.49	-66.46
CN(C(=O)C1=CC=CC=C1CCC(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658960	0	52	0.0	-86.74	396.31	12.49	-74.25
CN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658961	0	49	0.0	-74.89	391.33	7.87	-67.02
CN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658962	0	47	0.0	-71.93	379.39	11.15	-60.78
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658963	0	49	0.0	-81.66	366.93	10.73	-70.93
CC1=CC=C(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005658964	0	49	0.0	-83.62	370.27	12.23	-71.39
CN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658965	0	45	0.0	-60.61	349.01	9.23	-51.38
CC1=NC=C(C(=O)[O-])C=C1C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658966	0	48	0.0	-58.80	371.45	10.67	-48.13
CN(C(=O)CN1C=CC(C(=O)[O-])=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658967	0	46	0.0	-96.08	362.27	9.50	-86.58
CN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658968	0	52	0.0	-95.35	412.36	10.62	-84.73
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CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658970	0	53	0.0	-81.22	396.15	11.15	-70.07
CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658971	0	53	0.0	-74.98	399.52	10.17	-64.81
CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658972	0	46	0.0	-35.28	341.55	10.16	-25.12
CC1=C(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)OC(C(=O)[O-])=C1	REAL300005658973	0	46	0.0	-63.17	359.23	9.85	-53.32
CN(C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658974	0	54	0.0	-41.79	372.24	12.59	-29.20
CC(C)C(C(=O)[O-])C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658975	0	48	0.0	-62.84	347.81	10.13	-52.71
CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658976	0	52	0.0	-74.70	373.86	11.69	-63.01
CN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658978	0	53	0.0	-67.94	406.19	12.48	-55.46
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658979	0	53	0.0	-86.85	409.43	12.03	-74.82
CN(C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658980	0	53	0.0	-88.65	414.18	13.48	-75.17
CN(C(=O)C1CC2(CC2C(=O)[O-])C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658981	0	50	0.0	-78.78	377.86	11.70	-67.08
CN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658982	0	46	0.0	-77.95	351.10	10.31	-67.64
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658983	0	52	0.0	-75.40	383.49	12.37	-63.03
CC1=CC=C(C(=O)[O-])C=C1C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658984	0	49	0.0	-69.65	373.11	11.70	-57.95
CN(C(=O)C1CC(C)(C(=O)[O-])C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658985	0	49	0.0	-66.37	363.80	10.72	-55.65
CN(C(=O)C1=C(C(=O)[O-])SC=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658986	0	43	0.0	-55.69	345.02	10.89	-44.80
CN(C(=O)C1=CC(C(=O)[O-])=NN1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658987	0	43	0.0	-83.34	341.65	7.57	-75.77
CC1=C(C(=O)[O-])C=NC=C1C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658988	0	48	0.0	-75.91	370.16	9.31	-66.60
CCCC(C(=O)[O-])C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658989	0	48	0.0	-43.24	360.95	11.17	-32.07
CC1=CC(C(=O)[O-])=CC=C1C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658990	0	49	0.0	-72.46	373.54	11.71	-60.75
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658991	0	46	0.0	-68.98	366.69	11.50	-57.48
CN(C(=O)C1CC2(CC(C(=O)[O-])C2)C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658992	0	53	0.0	-76.07	402.91	11.92	-64.15
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)=C1	REAL300005658993	0	49	0.0	-54.63	382.29	9.58	-45.05
CN(C(=O)C1=CC=C(C(=O)[O-])N1C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658994	0	47	0.0	-75.52	356.65	11.03	-64.49
CN(C(=O)C1(C(=O)[O-])CC=CC1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658995	0	47	0.0	-61.68	349.80	10.06	-51.62
CN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658996	0	52	0.0	-71.16	399.16	12.62	-58.54
CC1=NNC(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)=C1C(=O)[O-]	REAL300005658997	0	46	0.0	-69.07	352.48	9.60	-59.47
CC1=C(C(=O)[O-])C(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)=NN1	REAL300005658997	1	46	0.0	-69.07	352.48	9.60	-59.47
CN(C(=O)CC1(CC(=O)[O-])CC1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658998	0	49	0.0	-61.61	370.93	11.17	-50.44
CN(C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005658999	0	50	0.0	-69.09	391.40	12.57	-56.52
CN(C(=O)C1=CSC(C(=O)[O-])=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659000	0	42	0.0	-54.89	342.86	9.12	-45.77
CN(C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659001	0	46	0.0	-82.36	347.34	11.62	-70.74
CC1=C(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300005659002	0	46	0.0	-61.23	366.74	11.66	-49.57
CN(C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659003	0	46	0.0	-78.64	381.76	11.30	-67.34
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)=C1	REAL300005659004	0	50	0.0	-65.37	395.82	10.68	-54.69
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659005	0	49	0.0	-62.76	381.65	11.01	-51.75
CN(C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659006	0	49	0.0	-81.07	387.09	12.19	-68.88
CN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659007	0	51	0.0	-79.21	396.34	10.55	-68.66
CN(C(=O)C12CC(C(=O)[O-])(C1)CO2)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659008	0	48	0.0	-65.87	364.11	9.28	-56.59
CN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659009	0	50	0.0	-77.71	389.81	12.58	-65.13
CC1CC1(C(=O)[O-])C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659010	0	46	0.0	-58.83	355.19	9.88	-48.95
CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659011	0	53	0.0	-55.77	385.77	11.49	-44.28
CN(C(=O)C1=C(C(=O)[O-])C=NN1C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659012	0	46	0.0	-78.75	363.26	8.79	-69.96
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659013	0	47	0.0	-63.41	377.21	10.68	-52.73
CN(C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659014	0	47	0.0	-75.45	377.30	10.79	-64.66
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659015	0	47	0.0	-65.26	368.47	9.79	-55.47
CC1=C(C(=O)[O-])C=CC=C1C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659016	0	49	0.0	-82.20	374.45	11.15	-71.05
CN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659017	0	49	0.0	-81.39	392.18	10.48	-70.91
C=C1CCC1(C(=O)[O-])C(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659018	0	47	0.0	-62.57	329.48	10.65	-51.92
CN(C(=O)C1=CC(C(=O)[O-])=CS1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659019	0	43	0.0	-81.76	348.18	10.54	-71.22
CN(C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659020	0	51	0.0	-71.45	374.45	9.57	-61.88
CN(C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659021	0	52	0.0	-85.32	396.89	13.08	-72.24
CC(C)[C@]1(C(=O)N(C)C(C[NH+](C)C)C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300005659022	0	52	0.0	-54.39	379.43	10.76	-43.63
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659023	0	52	0.0	-88.39	397.60	12.57	-75.82
CN(C(=O)CC1=CC(C(=O)[O-])=CS1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659024	0	46	0.0	-85.36	372.38	11.23	-74.13
CN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659025	0	49	0.0	-89.97	385.69	12.11	-77.86
CN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659026	0	49	0.0	-63.31	363.34	10.87	-52.44
CN(C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659027	0	53	0.0	-74.23	406.05	12.10	-62.13
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C(C[NH+](C)C)C1=CC=CC=C1	REAL300005659028	0	56	0.0	-76.58	390.23	11.77	-64.81
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CC2)C(F)(F)C32CC2)C1	REAL300005659105	0	48	0.0	-47.89	362.93	9.98	-37.91
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CC2)C(F)(F)C32CC2)C1	REAL300005659105	1	48	0.0	-49.44	369.71	10.43	-39.01
COC[C@H]1[C@@H]2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC[C@H]12	REAL300005659196	0	48	0.0	-47.77	357.99	7.87	-39.90
COC[C@H]1[C@@H]2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC[C@H]12	REAL300005659196	1	48	0.0	-48.95	358.19	7.89	-41.06
O=C([O-])C1CCCN(CC(=O)NC2=CC(Br)=C3OCOC3=C2)C1	REAL300005664637	0	40	0.0	-54.86	337.37	6.59	-48.27
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Br)=C3OCOC3=C2)C1	REAL300005664637	1	40	0.0	-54.48	331.89	6.62	-47.86
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Br)=C3OCOC3=C2)C1	REAL300005664637	1	40	0.0	-54.86	337.37	6.59	-48.27
COC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300005664743	0	47	0.0	-53.58	381.92	8.13	-45.45
COC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300005664743	1	47	0.0	-49.88	380.01	7.69	-42.19
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300005664776	1	42	0.0	-79.93	341.95	5.26	-74.67
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1	REAL300005664777	1	49	0.0	-80.10	407.19	8.01	-72.09
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300005664778	1	45	0.0	-78.11	363.59	6.75	-71.36
CCOC1=CC(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)=CC=C1OCC(=O)[O-]	REAL300005664779	1	49	0.0	-81.81	392.87	5.97	-75.84
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005664780	1	44	0.0	-79.13	356.94	6.49	-72.64
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005664781	1	42	0.0	-79.23	345.28	6.18	-73.05
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005664782	1	46	0.0	-78.51	389.58	1.37	-77.14
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005664783	1	40	0.0	-75.35	338.93	5.67	-69.68
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005664784	1	40	0.0	-75.35	338.93	5.67	-69.68
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1	REAL300005664785	1	48	0.0	-81.03	385.85	6.55	-74.48
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005664786	1	45	0.0	-77.54	368.92	5.99	-71.55
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005664787	1	44	0.0	-64.26	348.32	6.22	-58.04
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300005664788	1	48	0.0	-76.92	385.96	6.83	-70.09
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300005664789	1	38	0.0	-76.45	332.05	5.61	-70.84
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300005664790	1	48	0.0	-62.22	376.82	8.39	-53.83
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005664791	1	48	0.0	-77.06	354.40	5.89	-71.17
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005664792	1	40	0.0	-77.16	332.70	4.29	-72.87
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005664793	1	45	0.0	-77.13	362.94	5.71	-71.42
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005664794	1	51	0.0	-75.81	389.75	7.90	-67.91
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005664795	1	42	0.0	-74.85	341.78	5.30	-69.55
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005664796	1	47	0.0	-86.63	379.09	5.56	-81.07
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005664797	1	42	0.0	-76.86	342.85	6.29	-70.57
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300005664798	1	44	0.0	-77.52	346.15	6.54	-70.98
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300005664799	1	41	0.0	-79.90	343.54	0.74	-79.16
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005664800	1	44	0.0	-92.67	360.55	4.54	-88.13
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005664801	1	45	0.0	-80.69	354.62	4.94	-75.75
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CC1(C)CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CCO1	REAL300005673026	0	57	0.0	-75.95	411.96	10.60	-65.35
CC1(C)CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CCO1	REAL300005673026	1	57	0.0	-75.42	410.04	10.54	-64.88
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300005673039	0	50	0.0	-89.61	371.14	7.02	-82.59
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673040	0	50	0.0	-61.05	366.24	6.84	-54.21
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673041	1	51	0.0	-64.46	372.43	8.57	-55.89
CC[C@@H]1[C@@H](C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC[N@@H+]1C	REAL300005673044	0	50	0.0	-69.82	338.33	6.91	-62.91
CC[C@@H]1[C@@H](C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC[N@H+]1C	REAL300005673044	1	50	0.0	-72.28	336.60	7.27	-65.01
CC1C[N@H+](C)CC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)O1	REAL300005673054	1	48	0.0	-86.84	336.97	5.95	-80.89
CC1C[N@@H+](C)CC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)O1	REAL300005673054	1	48	0.0	-87.55	329.78	5.55	-82.00
CC1(C)CC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])CCO1	REAL300005673058	0	57	0.0	-71.67	406.01	10.45	-61.22
CC1(C)CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])CCO1	REAL300005673058	1	57	0.0	-72.23	413.93	10.68	-61.55
CC(C[NH+]1CCOCC1)C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673063	1	51	0.0	-70.12	357.78	6.16	-63.96
CC1(C)CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)(C(=O)[O-])CCO1	REAL300005673064	0	58	0.0	-72.85	417.03	8.18	-64.67
CC1CC[NH+](CC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300005673074	0	50	0.0	-62.54	349.45	7.87	-54.67
CC[N@@H+]1CCOC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300005673087	1	48	0.0	-54.95	334.53	6.15	-48.80
CC[N@H+]1CCOC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300005673087	1	48	0.0	-75.54	341.65	6.19	-69.35
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300005673118	1	57	0.0	-84.57	404.03	8.86	-75.71
CC1(C)CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])CCO1	REAL300005673119	0	57	0.0	-70.27	383.82	9.09	-61.18
CC1(C)CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])CCO1	REAL300005673119	1	57	0.0	-67.87	392.31	9.37	-58.50
C[N@@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673125	0	50	0.0	-76.43	353.82	7.92	-68.51
C[N@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673125	1	50	0.0	-71.54	350.22	7.76	-63.78
CC1(C)CC(NC(=O)C2CCC3CCCC[N@@H+]32)(C(=O)[O-])CCO1	REAL300005673136	0	51	0.0	-63.75	342.95	7.61	-56.14
CC1(C)CC(NC(=O)C2CCC3CCCC[N@H+]32)(C(=O)[O-])CCO1	REAL300005673136	1	51	0.0	-59.91	353.96	8.30	-51.61
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)=C2)CC1	REAL300005673149	0	59	0.0	-73.75	423.28	8.37	-65.38
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C=C2)CC1	REAL300005673150	0	59	0.0	-87.29	422.35	8.18	-79.11
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C=C2)CC1	REAL300005673150	1	59	0.0	-86.23	422.69	8.25	-77.98
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=C1	REAL300005673151	0	60	0.0	-82.58	429.51	10.04	-72.54
CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300005673159	0	53	0.0	-71.81	361.72	8.04	-63.77
CC1(C)CC(NC(=O)C23CC[N@H+](C2)CCC3)(C(=O)[O-])CCO1	REAL300005673232	0	48	0.0	-74.65	321.17	6.47	-68.18
CC1(C)CC(NC(=O)C23CC[N@@H+](C2)CCC3)(C(=O)[O-])CCO1	REAL300005673232	1	48	0.0	-71.98	322.20	6.47	-65.51
CC1CCC(C)[NH+]1CC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673272	0	50	0.0	-57.22	342.53	7.24	-49.98
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=C1	REAL300005673273	0	50	0.0	-78.67	364.66	8.96	-69.71
CC1(C)CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CCO1	REAL300005673274	0	57	0.0	-67.39	399.59	10.39	-57.00
CC1(C)CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CCO1	REAL300005673274	1	57	0.0	-68.42	407.55	10.61	-57.81
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300005673326	0	49	0.0	-76.30	355.72	8.24	-68.06
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300005673328	0	55	0.0	-74.82	384.60	6.06	-68.76
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300005673328	1	55	0.0	-68.50	385.09	6.08	-62.42
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673335	1	51	0.0	-63.81	371.89	8.57	-55.24
CC(C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[NH+]1CCCCCC1	REAL300005673366	0	53	0.0	-57.21	348.88	7.68	-49.53
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)=CC=C1N2	REAL300005673400	1	55	0.0	-84.29	399.40	9.38	-74.91
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)=CC=C1N2	REAL300005673400	1	55	0.0	-83.71	399.64	9.36	-74.35
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)O1	REAL300005673441	0	53	0.0	-80.53	385.72	8.58	-71.95
CC1(C)CC(NC(=O)CCCC[NH+]2CCCC2)(C(=O)[O-])CCO1	REAL300005673442	0	53	0.0	-74.36	377.81	8.74	-65.62
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)CC2)[NH+]=C1	REAL300005673444	1	56	0.0	-74.74	392.53	8.28	-66.46
C[N@H+](CC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)CC1=CC=CC=C1	REAL300005673445	1	50	0.0	-66.33	363.13	8.95	-57.38
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)CC1=CC=CC=C1	REAL300005673445	1	50	0.0	-66.31	363.20	8.94	-57.37
CC1(C)CC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)(C(=O)[O-])CCO1	REAL300005673465	1	45	0.0	-80.30	345.76	6.91	-73.39
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=NO1	REAL300005673488	1	46	0.0	-79.31	344.52	6.45	-72.86
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673492	0	57	0.0	-70.02	401.92	10.26	-59.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673492	1	57	0.0	-69.08	404.21	10.33	-58.75
CC(C)[N@@H+]1CCCC1C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673508	0	50	0.0	-57.00	337.94	7.09	-49.91
CC(C)[N@H+]1CCCC1C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300005673508	1	50	0.0	-64.44	330.09	6.76	-57.68
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=C1	REAL300005673515	0	58	0.0	-86.75	428.87	9.93	-76.82
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300005673529	0	51	0.0	-82.05	366.43	7.15	-74.90
CC1(C)CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)(C(=O)[O-])CCO1	REAL300005673534	0	54	0.0	-81.93	391.51	9.06	-72.87
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300005673680	0	53	0.0	-55.29	361.13	8.48	-46.81
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300005673680	1	53	0.0	-67.97	362.20	8.22	-59.75
CC1(C)CC(NC(=O)C[NH+]2CCC(CO)CC2)(C(=O)[O-])CCO1	REAL300005673708	1	51	0.0	-62.65	360.29	4.56	-58.09
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300005673891	0	53	0.0	-55.05	358.20	8.33	-46.72
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300005673891	1	53	0.0	-68.08	365.35	8.22	-59.86
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C(C(F)(F)F)C1	REAL300005673892	0	47	0.0	-78.24	344.06	6.95	-71.29
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C(C(F)(F)F)C1	REAL300005673892	1	47	0.0	-91.40	325.05	7.21	-84.19
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)N1	REAL300005673914	1	48	0.0	-64.41	356.71	6.72	-57.69
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=C1	REAL300005674306	0	53	0.0	-79.01	387.12	9.76	-69.25
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=C1	REAL300005674314	0	54	0.0	-84.52	394.40	8.72	-75.80
CC1(C)CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])CCO1	REAL300005674406	0	60	0.0	-73.16	426.16	11.29	-61.87
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C=C2)CCO1	REAL300005674408	1	58	0.0	-88.79	411.96	9.14	-79.65
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C=C2)CCO1	REAL300005674408	1	58	0.0	-87.53	412.00	9.11	-78.42
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300005674439	0	53	0.0	-54.99	357.33	8.02	-46.97
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)=CN21	REAL300005674443	0	45	0.0	-69.32	338.04	8.73	-60.59
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300005674493	0	56	0.0	-68.29	387.63	9.14	-59.15
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300005674493	1	56	0.0	-56.63	380.22	9.28	-47.35
CC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300005674494	0	50	0.0	-55.62	341.68	7.82	-47.80
CC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300005674494	1	50	0.0	-55.61	341.66	7.83	-47.78
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)O1	REAL300005674500	1	47	0.0	-83.91	349.92	7.19	-76.72
CC1(C)CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)(C(=O)[O-])CCO1	REAL300005674507	1	49	0.0	-69.31	333.24	7.29	-62.02
CC1(C)CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)(C(=O)[O-])CCO1	REAL300005674507	1	49	0.0	-66.09	338.37	8.50	-57.59
O=C([O-])CC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(F)(F)F	REAL300005675751	0	49	0.0	-68.80	387.72	9.74	-59.06
O=C([O-])CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(F)(F)F	REAL300005676452	0	46	0.0	-54.09	364.51	8.76	-45.33
O=C([O-])CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(F)(F)F	REAL300005676452	1	46	0.0	-55.75	370.52	9.20	-46.55
O=C([O-])CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(F)(F)F	REAL300005677300	1	46	0.0	-56.66	381.29	9.28	-47.38
O=C([O-])CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(F)(F)F	REAL300005677300	1	46	0.0	-54.09	381.50	9.19	-44.90
O=C([O-])CC(CNC(=O)C1CC[NH+](C2CC2)CC1)C(F)(F)F	REAL300005677384	0	43	0.0	-63.97	336.35	7.42	-56.55
O=C([O-])CC(CNC(=O)C1CCC[N@@H+]1C1CC1)C(F)(F)F	REAL300005677414	0	40	0.0	-56.34	320.00	6.76	-49.58
O=C([O-])CC(CNC(=O)C1CCC[N@H+]1C1CC1)C(F)(F)F	REAL300005677414	1	40	0.0	-54.50	317.17	6.50	-48.00
CC1=[NH+]C=C2CCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)CN12	REAL300005677420	1	41	0.0	-56.05	335.26	7.32	-48.73
O=C([O-])CC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(F)(F)F	REAL300005677421	0	49	0.0	-58.78	382.57	9.23	-49.55
CC1=NC(C[NH+]2CCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)CC2)=CS1	REAL300005677499	1	48	0.0	-67.82	395.44	7.55	-60.27
CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)N1CC[NH+](C)CC1	REAL300005677500	1	44	0.0	-63.11	339.94	4.38	-58.73
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C1	REAL300005677586	0	52	0.0	-69.97	420.99	9.31	-60.66
CC1(C(=O)NCC(CC(=O)[O-])C(F)(F)F)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005677599	0	52	0.0	-61.47	400.66	10.21	-51.26
O=C([O-])CC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(F)(F)F	REAL300005677656	0	34	0.0	-63.56	297.09	8.05	-55.51
C[NH+](C)CC1(C(=O)NCC(CC(=O)[O-])C(F)(F)F)CCCCC1	REAL300005677688	0	48	0.0	-60.21	349.77	7.90	-52.31
C[N@H+](CCC(=O)NCC(CC(=O)[O-])C(F)(F)F)C1CCCCC1	REAL300005677693	0	48	0.0	-61.98	365.29	8.16	-53.82
C[N@@H+](CCC(=O)NCC(CC(=O)[O-])C(F)(F)F)C1CCCCC1	REAL300005677693	1	48	0.0	-61.72	365.29	8.16	-53.56
O=C([O-])CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(F)(F)F	REAL300005677714	1	49	0.0	-58.53	392.25	9.76	-48.77
O=C([O-])CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(F)(F)F	REAL300005677714	1	49	0.0	-55.63	391.69	9.79	-45.84
O=C([O-])CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(F)(F)F	REAL300005677715	1	46	0.0	-57.51	370.97	8.83	-48.68
O=C([O-])CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(F)(F)F	REAL300005677715	1	46	0.0	-54.83	371.18	8.74	-46.09
O=C([O-])CC(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(F)(F)F	REAL300005677769	0	42	0.0	-70.32	356.46	7.29	-63.03
O=C([O-])CC(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(F)(F)F	REAL300005677794	0	49	0.0	-51.93	364.51	8.36	-43.57
O=C([O-])CC(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(F)(F)F	REAL300005677794	1	49	0.0	-53.06	359.55	8.50	-44.56
O=C([O-])CC(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(F)(F)F	REAL300005677795	0	50	0.0	-68.76	378.63	6.84	-61.92
CC1=[NH+]C=CN1CCCC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005677826	1	40	0.0	-60.65	337.89	7.46	-53.19
O=C([O-])CC(CNC(=O)CCCC[NH+]1CCOCC1)C(F)(F)F	REAL300005677827	1	46	0.0	-67.57	365.18	6.15	-61.42
CC[N@H+](CC1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C1)C(C)C	REAL300005677829	0	51	0.0	-69.94	393.21	9.66	-60.28
CC[N@@H+](CC1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C1)C(C)C	REAL300005677829	1	51	0.0	-69.75	384.61	9.33	-60.42
O=C([O-])CC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005677857	0	46	0.0	-62.14	371.85	9.00	-53.14
O=C([O-])CC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005677857	1	46	0.0	-61.75	371.89	9.06	-52.69
O=C([O-])CC(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(F)(F)F	REAL300005677858	0	47	0.0	-70.92	366.73	8.19	-62.73
C[NH+]1CCN(C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C2=CC=CC=C2)CC1	REAL300005677886	1	51	0.0	-62.27	400.34	7.86	-54.41
O=C([O-])CC(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(F)(F)F	REAL300005677887	0	50	0.0	-61.38	363.22	6.54	-54.84
CCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)[NH+](CC)CC	REAL300005677891	0	44	0.0	-50.16	332.90	7.04	-43.12
CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300005677893	0	45	0.0	-58.17	361.76	8.54	-49.63
CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300005677893	1	45	0.0	-58.16	361.90	8.54	-49.62
O=C([O-])CC(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(F)(F)F	REAL300005677903	0	52	0.0	-55.03	404.33	10.82	-44.21
O=C([O-])CC(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(F)(F)F	REAL300005677903	1	52	0.0	-55.03	404.31	10.82	-44.21
C[NH+](C)CC1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=N1	REAL300005677929	0	41	0.0	-70.51	340.85	6.58	-63.93
CCC[NH+](CCC)CCCC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005677939	0	50	0.0	-63.12	384.97	8.48	-54.64
O=C([O-])CC(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(F)(F)F	REAL300005677940	1	50	0.0	-53.48	394.98	6.50	-46.98
CC[N@H+](C)C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300005677941	0	45	0.0	-53.14	354.00	8.58	-44.56
CC[N@@H+](C)C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300005677941	1	45	0.0	-51.43	360.03	8.66	-42.77
CC[NH+](CC)C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300005677946	0	48	0.0	-54.56	368.34	8.85	-45.71
CC(C)C1=[NH+]C=CN1CC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005677954	1	40	0.0	-53.62	332.53	7.29	-46.33
C[NH+](C)C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1=CC=C(Cl)C=C1	REAL300005677958	1	42	0.0	-58.32	358.33	8.57	-49.75
O=C([O-])CC(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(F)(F)F	REAL300005677971	0	46	0.0	-72.13	368.99	9.13	-63.00
O=C([O-])CC(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(F)(F)F	REAL300005677978	0	49	0.0	-66.93	386.63	9.90	-57.03
CCN1CCC([NH+]2CCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)CC2)CC1	REAL300005677984	0	57	0.0	-66.27	421.77	7.51	-58.76
O=C([O-])CC(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(F)(F)F	REAL300005678004	1	50	0.0	-72.64	394.47	9.05	-63.59
O=C([O-])CC(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(F)(F)F	REAL300005678004	1	50	0.0	-72.33	394.54	9.05	-63.28
O=C([O-])CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(F)(F)F	REAL300005678018	0	49	0.0	-54.52	385.66	9.72	-44.80
O=C([O-])CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(F)(F)F	REAL300005678018	1	49	0.0	-55.34	376.34	9.54	-45.80
CC1=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=NN1C1=CC=[NH+]C=C1	REAL300005678020	1	40	0.0	-71.93	341.08	6.41	-65.52
O=C([O-])CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(F)(F)F	REAL300005678028	0	49	0.0	-72.81	386.31	9.86	-62.95
O=C([O-])CC(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(F)(F)F	REAL300005678041	1	42	0.0	-70.80	350.33	6.67	-64.13
C[NH+](C)CCC1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C1	REAL300005678042	0	45	0.0	-76.08	367.55	8.89	-67.19
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678054	1	38	0.0	-53.06	316.32	5.74	-47.32
O=C([O-])CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(F)(F)F	REAL300005678055	1	47	0.0	-64.71	373.90	8.42	-56.29
O=C([O-])CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(F)(F)F	REAL300005678055	1	47	0.0	-59.77	373.93	8.42	-51.35
CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)[NH+]1CCSCC1	REAL300005678111	1	40	0.0	-56.83	321.31	6.44	-50.39
C[N@H+](CC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC(C)(C)C	REAL300005678117	0	44	0.0	-56.34	334.68	6.97	-49.37
C[N@@H+](CC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC(C)(C)C	REAL300005678117	1	44	0.0	-56.13	336.79	7.21	-48.92
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678119	0	45	0.0	-60.09	366.05	9.00	-51.09
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678119	1	45	0.0	-60.05	366.02	8.99	-51.06
COCCOCC[N@H+](C)CCC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678120	0	49	0.0	-62.01	395.04	5.16	-56.85
COCCOCC[N@@H+](C)CCC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678120	1	49	0.0	-63.53	395.10	5.19	-58.34
C[N@@H+]1CCCC(O)(CC(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005678124	0	43	0.0	-58.11	327.49	4.83	-53.28
C[N@H+]1CCCC(O)(CC(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005678124	1	43	0.0	-57.71	337.36	4.92	-52.79
O=C([O-])CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(F)(F)F	REAL300005678141	1	48	0.0	-58.59	380.54	7.96	-50.63
O=C([O-])CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(F)(F)F	REAL300005678141	1	48	0.0	-59.43	371.10	7.81	-51.62
O=C([O-])CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(F)(F)F	REAL300005678142	1	48	0.0	-55.73	380.30	7.86	-47.87
O=C([O-])CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(F)(F)F	REAL300005678142	1	48	0.0	-57.10	371.28	7.78	-49.32
CCCCCC[N@H+](C)CC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678144	0	47	0.0	-57.88	370.61	8.32	-49.56
CCCCCC[N@@H+](C)CC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678144	1	47	0.0	-57.93	370.64	8.31	-49.62
O=C([O-])CC(CNC(=O)C12CCC[NH+]1CCC2)C(F)(F)F	REAL300005678154	0	40	0.0	-56.95	311.48	6.55	-50.40
O=C([O-])CC(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(F)(F)F	REAL300005678162	1	34	0.0	-68.98	297.35	8.07	-60.91
C[N@H+](CC(=O)NCC(CC(=O)[O-])C(F)(F)F)C1CCSC1	REAL300005678179	0	40	0.0	-60.89	327.60	6.80	-54.09
C[N@@H+](CC(=O)NCC(CC(=O)[O-])C(F)(F)F)C1CCSC1	REAL300005678179	1	40	0.0	-61.20	326.26	6.78	-54.42
CC(C)[NH+]1CCN(CCC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678194	0	50	0.0	-62.99	382.23	5.74	-57.25
CC(C)N1CC[NH+](CCC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678194	1	50	0.0	-61.24	378.59	5.54	-55.70
CC(C)[NH+]1CCN(CCCC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678195	0	53	0.0	-63.14	403.73	6.54	-56.60
CC(C)N1CC[NH+](CCCC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678195	1	53	0.0	-63.75	400.04	6.33	-57.42
O=C([O-])CC(CNC(=O)C1CCCC2CCC[N@@H+]21)C(F)(F)F	REAL300005678196	0	43	0.0	-55.38	323.62	7.12	-48.26
O=C([O-])CC(CNC(=O)C1CCCC2CCC[N@H+]21)C(F)(F)F	REAL300005678196	1	43	0.0	-55.36	323.49	7.13	-48.23
C[NH+](C)CCN1C=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=N1	REAL300005678198	0	42	0.0	-72.84	351.23	6.05	-66.79
O=C([O-])CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(F)(F)F	REAL300005678207	0	51	0.0	-65.59	399.71	7.90	-57.69
O=C([O-])CC(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(F)(F)F	REAL300005678210	0	48	0.0	-64.28	382.99	7.98	-56.30
O=C([O-])CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(F)(F)F	REAL300005678210	1	48	0.0	-64.25	382.93	7.99	-56.26
CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005678215	1	46	0.0	-56.88	362.04	9.23	-47.65
CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)[N@H+]1CCC2=CC=CC=C2C1	REAL300005678215	1	46	0.0	-57.10	362.04	9.12	-47.98
O=C([O-])CC(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005678239	0	49	0.0	-67.28	391.94	9.79	-57.49
O=C([O-])CC(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005678239	1	49	0.0	-67.55	392.37	9.80	-57.75
C[NH+](C)CCN1C=CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=N1	REAL300005678254	0	42	0.0	-76.30	351.59	6.05	-70.25
C[NH+](C)CCN1N=CC=C1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678255	0	42	0.0	-62.20	345.17	6.12	-56.08
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678261	1	43	0.0	-56.14	352.84	7.77	-48.37
CC[C@@H]1[C@@H](C(=O)NCC(CC(=O)[O-])C(F)(F)F)CC[N@@H+]1C	REAL300005678264	0	42	0.0	-63.44	323.64	6.22	-57.22
CC[C@@H]1[C@@H](C(=O)NCC(CC(=O)[O-])C(F)(F)F)CC[N@H+]1C	REAL300005678264	1	42	0.0	-63.00	329.55	6.65	-56.35
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678268	1	38	0.0	-54.31	313.43	6.41	-47.90
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678268	1	38	0.0	-54.15	319.14	6.85	-47.30
CC1C[N@H+](C)CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)O1	REAL300005678276	1	40	0.0	-69.94	318.78	5.72	-64.22
CC1C[N@@H+](C)CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)O1	REAL300005678276	1	40	0.0	-68.73	325.47	5.74	-62.99
O=C([O-])CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(F)(F)F	REAL300005678282	0	49	0.0	-64.25	394.46	9.81	-54.44
O=C([O-])CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(F)(F)F	REAL300005678282	1	49	0.0	-63.60	394.42	9.81	-53.79
O=C([O-])CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(F)(F)F	REAL300005678283	1	45	0.0	-54.79	361.28	7.18	-47.61
O=C([O-])CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(F)(F)F	REAL300005678283	1	45	0.0	-53.25	360.64	6.97	-46.28
CC(C[NH+]1CCOCC1)C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678288	0	43	0.0	-53.49	337.57	5.42	-48.07
O=C([O-])CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(F)(F)F	REAL300005678289	0	50	0.0	-65.43	397.44	7.32	-58.11
CC1CC[NH+](CC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678299	0	42	0.0	-56.91	329.87	7.06	-49.85
CC[N@@H+]1CCOC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005678314	1	40	0.0	-68.26	322.11	5.65	-62.61
CC[N@H+]1CCOC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005678314	1	40	0.0	-54.80	314.95	5.49	-49.31
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678353	1	49	0.0	-72.64	384.44	7.99	-64.65
O=C([O-])CC(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(F)(F)F	REAL300005678354	0	49	0.0	-59.77	372.40	8.48	-51.29
O=C([O-])CC(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(F)(F)F	REAL300005678354	1	49	0.0	-61.73	372.17	8.43	-53.30
C[N@@H+]1CCCC1CCC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678361	0	42	0.0	-62.16	328.38	6.58	-55.58
C[N@H+]1CCCC1CCC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678361	1	42	0.0	-61.74	328.80	6.61	-55.13
O=C([O-])CC(CNC(=O)C12CCC[NH+](CCC1)C2)C(F)(F)F	REAL300005678374	0	43	0.0	-63.11	324.30	6.76	-56.35
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678378	0	40	0.0	-57.67	314.43	2.86	-54.81
C[N@H+]1CC(O)CC1(C)C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678378	1	40	0.0	-58.68	314.63	2.64	-56.04
O=C([O-])CC(CNC(=O)C1CCC2CCCC[N@@H+]21)C(F)(F)F	REAL300005678379	0	43	0.0	-53.08	327.91	7.03	-46.05
O=C([O-])CC(CNC(=O)C1CCC2CCCC[N@H+]21)C(F)(F)F	REAL300005678379	1	43	0.0	-54.50	327.78	7.04	-47.46
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678387	0	46	0.0	-58.66	347.35	5.73	-52.93
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=N1	REAL300005678392	0	49	0.0	-74.96	383.31	6.93	-68.03
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=N1	REAL300005678392	1	49	0.0	-75.05	383.31	6.93	-68.12
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=C2)CC1	REAL300005678397	0	51	0.0	-66.50	403.74	7.47	-59.03
C[NH+]1CCN(CC2=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C2)CC1	REAL300005678398	0	51	0.0	-70.23	402.81	7.29	-62.94
CN1CC[NH+](CC2=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C2)CC1	REAL300005678398	1	51	0.0	-73.53	403.14	7.35	-66.18
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C1	REAL300005678399	0	52	0.0	-70.58	406.13	8.89	-61.69
CC(C)[NH+]1CCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678407	0	45	0.0	-63.71	342.16	7.17	-56.54
O=C([O-])CC(CNC(=O)C12CC[N@H+](C1)CCC2)C(F)(F)F	REAL300005678494	0	40	0.0	-64.65	308.86	5.78	-58.87
O=C([O-])CC(CNC(=O)C12CC[N@@H+](C1)CCC2)C(F)(F)F	REAL300005678494	1	40	0.0	-62.76	308.51	5.78	-56.98
CC1CCC(C)[NH+]1CC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678547	0	42	0.0	-53.03	323.94	6.44	-46.59
C[NH+](C)CC1=CC=CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=C1	REAL300005678548	0	42	0.0	-67.53	345.06	8.05	-59.48
O=C([O-])CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005678549	0	49	0.0	-60.55	388.05	9.74	-50.81
O=C([O-])CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005678549	1	49	0.0	-60.35	388.00	9.74	-50.61
C#CC[NH+]1CCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678619	0	41	0.0	-67.34	336.67	7.42	-59.92
CCC[N@@H+]1CCCCC1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678621	0	45	0.0	-54.32	338.76	7.39	-46.93
CCC[N@H+]1CCCCC1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678621	1	45	0.0	-53.74	348.19	7.54	-46.20
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678622	0	42	0.0	-50.76	337.75	8.28	-42.48
CC[NH+]1CCN(CCC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678624	0	47	0.0	-65.94	364.32	5.08	-60.86
CCN1CC[NH+](CCC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678624	1	47	0.0	-61.52	365.52	5.22	-56.30
CC(C)C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)[NH+]1CCCCC1	REAL300005678626	0	48	0.0	-57.57	349.47	8.42	-49.15
C[NH+](C)C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300005678627	1	42	0.0	-52.64	341.57	8.05	-44.59
O=C([O-])CC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005678631	0	47	0.0	-58.90	379.91	5.98	-52.92
O=C([O-])CC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300005678631	1	47	0.0	-59.08	380.11	5.97	-53.11
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678637	1	43	0.0	-55.39	352.36	7.72	-47.67
C[NH+](C)CC1=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)OC2=CC=CC=C21	REAL300005678638	0	45	0.0	-53.26	372.23	8.39	-44.87
O=C([O-])CC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C(F)(F)F	REAL300005678644	0	46	0.0	-57.26	342.90	7.88	-49.38
O=C([O-])CC(CNC(=O)C1CCC[N@H+]1C1CCCC1)C(F)(F)F	REAL300005678644	1	46	0.0	-55.46	352.46	7.95	-47.51
CC(C)C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)[NH+]1CC(C)OC(C)C1	REAL300005678674	1	52	0.0	-54.80	391.62	7.69	-47.11
CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)[NH+]1CCCCCC1	REAL300005678675	0	45	0.0	-53.71	337.53	7.35	-46.36
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=CC=C1N2	REAL300005678713	1	47	0.0	-73.26	379.85	8.48	-64.78
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=CC=C1N2	REAL300005678713	1	47	0.0	-73.38	379.87	8.48	-64.90
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)O1	REAL300005678768	0	45	0.0	-67.55	366.62	7.85	-59.70
O=C([O-])CC(CNC(=O)CCCC[NH+]1CCCC1)C(F)(F)F	REAL300005678769	0	45	0.0	-64.51	358.25	7.88	-56.63
CC1=CC=C(N2CCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)CC2)[NH+]=C1	REAL300005678771	1	48	0.0	-62.68	380.95	7.64	-55.04
C[N@H+](CC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1=CC=CC=C1	REAL300005678772	1	42	0.0	-60.57	343.57	8.15	-52.42
C[N@@H+](CC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1=CC=CC=C1	REAL300005678772	1	42	0.0	-60.59	343.54	8.15	-52.44
O=C([O-])CC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(F)(F)F	REAL300005678794	1	37	0.0	-70.86	326.22	6.00	-64.86
C[NH+](C)CC1=CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=NO1	REAL300005678825	1	38	0.0	-72.42	325.01	5.52	-66.90
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678829	0	49	0.0	-64.39	388.43	9.68	-54.71
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678829	1	49	0.0	-65.82	392.85	9.67	-56.15
CC(C)[N@@H+]1CCCC1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678846	0	42	0.0	-53.51	325.86	6.67	-46.84
CC(C)[N@H+]1CCCC1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005678846	1	42	0.0	-53.51	325.72	6.67	-46.84
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C1	REAL300005678853	0	50	0.0	-73.32	409.40	9.03	-64.29
C[NH+]1CCC(OCC(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005678873	0	43	0.0	-70.40	346.87	6.66	-63.74
O=C([O-])CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(F)(F)F	REAL300005678878	0	46	0.0	-69.41	373.07	8.24	-61.17
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC(CC(=O)[O-])C(F)(F)F)[C@@H](C(F)(F)F)C1	REAL300005678923	0	48	0.0	-60.72	380.89	7.88	-52.84
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(CC(=O)[O-])C(F)(F)F)[C@@H](C(F)(F)F)C1	REAL300005678923	1	48	0.0	-54.52	379.27	7.87	-46.65
CCC[N@@H+]1CCCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005679076	0	45	0.0	-59.93	350.63	7.58	-52.35
CCC[N@H+]1CCCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005679076	1	45	0.0	-60.39	350.65	7.58	-52.81
CC(C)C[N@@H+]1CCCC1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005679109	0	45	0.0	-54.52	351.23	7.75	-46.77
CC(C)C[N@H+]1CCCC1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005679109	1	45	0.0	-55.31	345.52	7.21	-48.10
O=C([O-])CC(CNC(=O)C[NH+]1CCC(CO)CC1)C(F)(F)F	REAL300005679110	1	43	0.0	-57.65	340.71	3.74	-53.91
O=C([O-])CC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(F)(F)F	REAL300005679212	0	50	0.0	-68.46	395.34	10.03	-58.43
O=C([O-])CC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(F)(F)F	REAL300005679212	1	50	0.0	-66.32	397.80	9.98	-56.34
O=C([O-])CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(F)(F)F	REAL300005679253	1	49	0.0	-54.62	382.49	9.62	-45.00
O=C([O-])CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(F)(F)F	REAL300005679253	1	49	0.0	-60.69	382.77	9.61	-51.08
CC(C)[N@@H+]1CCCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005679348	0	45	0.0	-58.66	345.83	7.35	-51.31
CC(C)[N@H+]1CCCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005679348	1	45	0.0	-53.32	339.52	7.55	-45.77
C[N@@H+]1CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C(C(F)(F)F)C1	REAL300005679349	0	39	0.0	-70.00	321.35	6.30	-63.70
C[N@H+]1CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C(C(F)(F)F)C1	REAL300005679349	1	39	0.0	-60.57	324.40	6.07	-54.50
CC1=C(C)[NH+]=C(CCC(=O)NCC(CC(=O)[O-])C(F)(F)F)N1	REAL300005679373	1	40	0.0	-56.23	337.15	5.85	-50.38
C[NH+](C)CCC1=CC=CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=C1	REAL300005679873	0	45	0.0	-69.49	367.56	8.89	-60.60
C[NH+](C)CCOC1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C1	REAL300005679881	0	46	0.0	-72.74	374.86	7.83	-64.91
O=C([O-])CC(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(F)(F)F	REAL300005679983	0	52	0.0	-61.65	406.59	10.50	-51.15
CC1CN(CC2=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C2)CCO1	REAL300005679985	0	50	0.0	-75.32	392.42	8.22	-67.10
CC1C[N@H+](CC2=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C2)CCO1	REAL300005679985	1	50	0.0	-74.89	392.42	8.22	-66.67
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=C2)CCO1	REAL300005679985	1	50	0.0	-74.89	392.42	8.22	-66.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(CC(=O)[O-])C(F)(F)F)CC1	REAL300005680032	0	45	0.0	-60.22	339.21	7.24	-52.98
CC(C)C[N@@H+]1CCCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005680099	0	48	0.0	-60.75	368.42	8.26	-52.49
CC(C)C[N@H+]1CCCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005680099	1	48	0.0	-60.75	368.42	8.26	-52.49
CC[N@@H+]1CCCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005680100	0	42	0.0	-53.78	322.90	7.04	-46.74
CC[N@H+]1CCCC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005680100	1	42	0.0	-53.78	322.90	7.04	-46.74
CN(C)CC1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)O1	REAL300005680106	0	39	0.0	-70.59	330.41	6.27	-64.32
C[NH+](C)CC1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)O1	REAL300005680106	1	39	0.0	-70.59	330.41	6.27	-64.32
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005680112	0	48	0.0	-66.92	356.92	7.70	-59.22
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(CC(=O)[O-])C(F)(F)F)C1	REAL300005680112	1	48	0.0	-66.92	356.92	7.70	-59.22
O=C([O-])CC(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(F)(F)F	REAL300005680115	0	41	0.0	-58.20	322.34	7.72	-50.48
CC(C)NS(=O)(=O)C1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005680184	0	54	0.0	-50.10	425.86	6.28	-43.82
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2CC2=CC=CC(F)=C2F)C1	REAL300005680285	0	50	0.0	-53.69	383.18	11.22	-42.47
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2CC2=CC=CC(F)=C2F)C1	REAL300005680285	1	50	0.0	-53.69	383.18	11.22	-42.47
CCCC(=O)C1=CC=CC(NC(=O)CN2CCCC(C(=O)[O-])C2)=C1	REAL300005680400	0	48	0.0	-55.41	374.55	9.35	-46.06
CCCC(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005680400	1	48	0.0	-60.28	369.38	9.35	-50.93
CCCC(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005680400	1	48	0.0	-60.28	369.38	9.35	-50.93
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005681473	0	59	0.0	-81.98	455.71	13.36	-68.62
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005682050	0	56	0.0	-45.49	428.00	12.39	-33.10
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005682050	1	56	0.0	-68.72	438.12	12.77	-55.95
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005682906	0	53	0.0	-66.93	404.70	11.26	-55.67
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300005682931	0	50	0.0	-65.09	392.29	10.69	-54.40
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300005682931	1	50	0.0	-53.17	387.45	10.78	-42.39
CC1=[NH+]C=C2CCC(C(=O)N[C@H](CCC3=CC=CC=C3)CC(=O)[O-])CN21	REAL300005682937	1	51	0.0	-67.79	402.21	10.87	-56.92
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005682938	0	59	0.0	-78.34	447.39	12.87	-65.47
C[N@@H+]1CCCCC1C(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300005683018	0	49	0.0	-54.82	361.03	9.62	-45.20
C[N@H+]1CCCCC1C(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300005683018	1	49	0.0	-58.74	362.62	9.91	-48.83
CC(C(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)[O-])N1CC[NH+](C)CC1	REAL300005683019	1	54	0.0	-66.25	406.53	8.61	-57.64
C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300005683061	0	49	0.0	-46.06	377.25	10.06	-36.00
C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300005683061	1	49	0.0	-68.06	367.55	9.56	-58.50
C[NH+]1CCC(C(=O)N[C@H](CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300005683148	0	49	0.0	-70.46	379.84	10.05	-60.41
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005683178	0	44	0.0	-66.58	365.31	11.97	-54.61
C[NH+](C)CC1(C(=O)N[C@H](CCC2=CC=CC=C2)CC(=O)[O-])CCCCC1	REAL300005683214	0	58	0.0	-74.07	403.63	13.02	-61.05
C[N@H+](CCC(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)[O-])C1CCCCC1	REAL300005683219	0	58	0.0	-74.65	432.77	11.71	-62.94
C[N@@H+](CCC(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)[O-])C1CCCCC1	REAL300005683219	1	58	0.0	-74.81	432.77	11.70	-63.11
C[N@@H+]1CCCC1C(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300005683236	0	46	0.0	-51.20	359.69	9.67	-41.53
C[N@H+]1CCCC1C(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300005683236	1	46	0.0	-67.25	360.52	9.17	-58.08
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005683241	1	56	0.0	-68.55	438.23	12.28	-56.27
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005683241	1	56	0.0	-70.84	438.87	12.34	-58.50
C[NH+]1CCC(C(=O)N[C@H](CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300005683293	0	49	0.0	-70.46	379.84	10.05	-60.41
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005683297	0	52	0.0	-77.56	424.00	11.08	-66.48
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005683317	0	59	0.0	-65.77	427.54	12.07	-53.70
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005683317	1	59	0.0	-61.79	414.14	13.16	-48.63
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005683318	0	60	0.0	-66.79	434.49	10.88	-55.91
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C[NH+](C)CCOC1=CC=CC=C1NC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300005690767	0	47	0.0	-84.36	379.97	9.54	-74.82
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1CCCC(C(=O)[O-])C1	REAL300005690768	0	50	0.0	-90.39	374.48	8.92	-81.47
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300005690769	0	43	0.0	-73.03	351.19	7.09	-65.94
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005690770	0	43	0.0	-63.65	352.86	7.17	-56.48
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300005690771	0	49	0.0	-77.67	365.60	8.30	-69.37
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300005690772	0	44	0.0	-75.32	360.14	8.95	-66.37
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300005690773	0	42	0.0	-66.55	348.29	5.29	-61.26
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300005690774	0	50	0.0	-74.61	380.32	9.08	-65.53
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1CCC(C(=O)[O-])CC1	REAL300005690775	0	50	0.0	-75.19	381.21	9.10	-66.09
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300005690776	0	47	0.0	-90.46	379.97	9.55	-80.91
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300005690777	0	43	0.0	-92.37	357.12	5.53	-86.84
CC1=NC(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)=CC=C1C(=O)[O-]	REAL300005690778	0	46	0.0	-65.99	372.39	7.73	-58.26
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005690779	0	44	0.0	-74.07	355.46	8.90	-65.17
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300005690780	0	47	0.0	-84.91	364.74	8.44	-76.47
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005690781	0	47	0.0	-79.83	377.66	9.68	-70.15
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300005690782	0	44	0.0	-79.68	358.08	7.79	-71.89
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690783	0	47	0.0	-63.45	385.57	8.42	-55.03
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300005690784	0	43	0.0	-75.35	353.21	7.16	-68.19
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CC1CCC(C(=O)[O-])CC1	REAL300005690785	0	53	0.0	-85.03	400.42	9.81	-75.22
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300005690786	0	49	0.0	-77.67	365.60	8.30	-69.37
CC(CC(=O)[O-])CC(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690787	0	46	0.0	-79.35	355.03	7.93	-71.42
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005690788	0	46	0.0	-72.69	377.49	8.18	-64.51
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005690789	0	51	0.0	-85.08	407.77	9.58	-75.50
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=NOC(C(=O)[O-])=C1	REAL300005690790	0	40	0.0	-62.90	336.48	6.45	-56.45
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005690791	0	57	0.0	-69.57	433.91	11.78	-57.79
CC1=C(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)C=C(C(=O)[O-])O1	REAL300005690792	0	44	0.0	-64.85	358.77	8.02	-56.83
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)=C1	REAL300005690793	0	44	0.0	-59.73	359.80	7.88	-51.85
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300005690794	0	44	0.0	-87.61	362.05	7.02	-80.59
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300005690795	0	45	0.0	-63.06	374.86	8.46	-54.60
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005690796	0	48	0.0	-75.30	386.47	9.20	-66.10
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CCSCC(=O)[O-]	REAL300005690797	0	44	0.0	-73.96	365.13	8.06	-65.90
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005690798	0	43	0.0	-63.65	352.86	7.17	-56.48
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690799	0	44	0.0	-87.44	356.11	6.71	-80.73
C[C@@H]1C[C@H](C(=O)NC2=CC=CC=C2OCC[NH+](C)C)O[C@H]1C(=O)[O-]	REAL300005690800	0	48	0.0	-79.58	378.65	8.29	-71.29
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300005690801	0	47	0.0	-70.59	377.81	9.66	-60.93
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005690802	0	48	0.0	-76.41	387.54	10.19	-66.22
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300005690803	0	45	0.0	-76.35	375.32	8.33	-68.02
C[NH+](C)CCOC1=CC=CC=C1NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300005690804	0	47	0.0	-84.54	388.25	4.56	-79.98
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300005690805	0	45	0.0	-69.67	376.20	8.68	-60.99
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300005690806	0	47	0.0	-84.91	364.74	8.44	-76.47
CC1=CC=C(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)C=C1C(=O)[O-]	REAL300005690807	0	47	0.0	-89.67	374.47	9.52	-80.15
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300005690808	0	43	0.0	-78.21	350.78	7.08	-71.13
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690809	0	46	0.0	-56.78	367.43	7.73	-49.05
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300005690810	0	44	0.0	-100.52	362.52	7.04	-93.48
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005690811	0	50	0.0	-101.38	405.31	8.41	-92.97
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300005690812	0	44	0.0	-56.48	342.22	7.64	-48.84
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005690813	0	51	0.0	-89.88	399.18	8.69	-81.19
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300005690814	0	51	0.0	-78.63	398.48	7.68	-70.95
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300005690815	0	44	0.0	-56.48	342.22	7.64	-48.84
CC1=C(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)OC(C(=O)[O-])=C1	REAL300005690816	0	44	0.0	-59.84	359.54	7.95	-51.89
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300005690817	0	52	0.0	-54.35	379.09	10.16	-44.19
CC(C)C(C(=O)[O-])C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690818	0	46	0.0	-64.15	356.28	7.88	-56.27
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300005690819	0	50	0.0	-75.64	369.62	9.48	-66.16
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005690821	0	51	0.0	-85.08	407.77	9.58	-75.50
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300005690822	0	51	0.0	-101.13	413.48	11.05	-90.08
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300005690823	0	48	0.0	-63.98	377.69	9.23	-54.75
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300005690824	0	44	0.0	-76.55	347.55	7.92	-68.63
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690825	0	50	0.0	-89.54	385.27	9.91	-79.63
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690826	0	47	0.0	-57.50	371.98	9.53	-47.97
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1CC(C)(C(=O)[O-])C1	REAL300005690827	0	47	0.0	-65.97	365.56	8.29	-57.68
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC(C(=O)[O-])=NN1	REAL300005690828	0	41	0.0	-78.71	339.49	5.29	-73.42
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=NNC(C(=O)[O-])=C1	REAL300005690828	1	41	0.0	-66.58	340.39	5.22	-61.36
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690829	0	46	0.0	-75.11	360.87	7.61	-67.50
CCCC(C(=O)[O-])C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690830	0	46	0.0	-60.14	357.18	8.09	-52.05
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690831	0	47	0.0	-75.02	372.02	9.55	-65.47
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300005690832	0	44	0.0	-72.51	368.75	9.39	-63.12
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300005690833	0	51	0.0	-78.92	396.21	9.74	-69.18
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)=C1	REAL300005690834	0	47	0.0	-54.96	384.12	6.48	-48.48
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690835	0	45	0.0	-65.44	355.73	8.29	-57.15
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300005690836	0	50	0.0	-74.57	399.05	10.49	-64.08
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CC1(CC(=O)[O-])CC1	REAL300005690837	0	47	0.0	-69.48	367.10	8.63	-60.85
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300005690838	0	48	0.0	-77.51	389.38	9.37	-68.14
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CSC(C(=O)[O-])=N1	REAL300005690839	0	40	0.0	-56.88	344.98	6.02	-50.86
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300005690840	0	44	0.0	-83.69	349.64	8.39	-75.30
CC1=C(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)C=C(C(=O)[O-])S1	REAL300005690841	0	44	0.0	-60.89	364.73	8.74	-52.15
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005690842	0	44	0.0	-76.76	385.07	9.46	-67.30
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)=C1	REAL300005690843	0	48	0.0	-79.82	393.18	8.60	-71.22
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300005690844	0	47	0.0	-87.73	390.78	10.15	-77.58
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300005690845	0	49	0.0	-83.04	388.54	8.34	-74.70
C[NH+](C)CCOC1=CC=CC=C1NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300005690846	0	48	0.0	-80.14	389.82	10.07	-70.07
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300005690847	0	45	0.0	-61.70	380.49	7.89	-53.81
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300005690848	0	45	0.0	-74.05	381.78	8.02	-66.03
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300005690849	0	45	0.0	-62.16	372.80	7.03	-55.13
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690850	0	47	0.0	-83.91	366.84	9.40	-74.51
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300005690851	0	47	0.0	-80.72	385.89	8.29	-72.43
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC(C(=O)[O-])=CS1	REAL300005690852	0	41	0.0	-81.49	348.83	7.89	-73.60
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300005690853	0	49	0.0	-75.22	374.12	7.27	-67.95
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300005690854	0	50	0.0	-81.21	391.50	10.97	-70.24
CC(C)[C@]1(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)C[C@H]1C(=O)[O-]	REAL300005690855	0	50	0.0	-58.20	385.98	9.12	-49.08
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300005690856	0	50	0.0	-91.96	396.83	10.06	-81.90
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300005690857	0	44	0.0	-89.40	372.66	8.69	-80.71
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300005690858	0	47	0.0	-94.86	385.65	9.57	-85.29
C[NH+](C)CCOC1=CC=CC=C1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300005690859	0	47	0.0	-73.04	359.25	8.97	-64.07
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300005690860	0	51	0.0	-65.79	404.31	10.42	-55.37
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300005690861	1	42	0.0	-63.87	323.24	8.11	-55.76
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300005690862	1	50	0.0	-88.48	398.59	6.79	-81.69
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1	REAL300005690863	1	49	0.0	-84.75	394.31	11.00	-73.75
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300005690864	1	45	0.0	-82.87	351.67	9.67	-73.20
CCOC1=CC(C(=O)N2C[C@H]3C[C@@H]2C[N@H+]3CC)=CC=C1OCC(=O)[O-]	REAL300005690865	1	49	0.0	-83.83	372.31	8.61	-75.22
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005690866	1	44	0.0	-79.60	344.17	9.80	-69.80
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005690867	1	42	0.0	-80.50	331.95	9.43	-71.07
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005690868	1	46	0.0	-76.80	376.94	4.65	-72.15
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005690869	1	40	0.0	-60.14	320.45	8.49	-51.65
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(N2N=C(C)C(CCC(=O)[O-])=C2C)C=C1	REAL300005690870	1	57	0.0	-81.56	432.22	11.43	-70.13
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005690871	1	40	0.0	-60.14	320.45	8.49	-51.65
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1	REAL300005690872	1	48	0.0	-82.62	367.52	9.34	-73.28
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005690873	1	45	0.0	-75.16	350.11	8.96	-66.20
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005690874	1	44	0.0	-66.84	335.95	9.52	-57.32
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300005690875	1	48	0.0	-80.96	364.60	9.53	-71.43
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300005690876	1	38	0.0	-58.61	313.58	8.42	-50.19
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300005690877	1	48	0.0	-66.12	361.05	10.98	-55.14
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005690878	1	48	0.0	-78.09	331.39	8.52	-69.57
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005690879	1	40	0.0	-94.60	326.15	7.05	-87.55
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005690880	1	45	0.0	-87.65	345.01	9.06	-78.59
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005690881	1	51	0.0	-70.11	377.40	11.23	-58.88
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005690882	1	42	0.0	-78.08	323.11	8.12	-69.96
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005690883	1	47	0.0	-87.17	366.21	8.86	-78.31
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005690884	1	42	0.0	-79.29	324.22	9.12	-70.17
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300005690885	1	44	0.0	-81.24	334.72	9.38	-71.86
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300005690886	1	41	0.0	-87.11	330.84	4.11	-83.00
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005690887	1	44	0.0	-96.09	347.79	7.86	-88.23
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300005690888	1	46	0.0	-56.06	326.02	9.47	-46.59
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300005690889	1	45	0.0	-73.88	345.10	9.88	-64.00
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005690890	1	45	0.0	-87.65	345.01	9.06	-78.59
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300005690891	1	45	0.0	-96.22	355.85	10.42	-85.80
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300005690892	1	38	0.0	-75.06	310.22	8.42	-66.64
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC(OC)=CC(C(=O)[O-])=N1	REAL300005690893	1	41	0.0	-54.90	322.54	6.22	-48.68
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300005690894	1	44	0.0	-77.68	335.72	9.41	-68.27
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300005690895	1	42	0.0	-64.97	332.18	8.79	-56.18
CCN1C[C@H]2C[C@@H]1CN2C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005690896	0	38	0.0	-81.15	322.50	8.59	-72.56
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005690896	1	38	0.0	-81.91	319.87	8.35	-73.56
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005690896	1	38	0.0	-81.15	322.50	8.59	-72.56
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl	REAL300005690897	1	42	0.0	-79.62	335.44	7.59	-72.03
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=C(F)C=CC(C(=O)[O-])=C1C	REAL300005690898	1	41	0.0	-65.09	322.26	8.63	-56.46
CCN1C[C@H]2C[C@@H]1CN2C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300005690899	0	41	0.0	-90.07	327.37	9.23	-80.84
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300005690899	1	41	0.0	-90.95	326.19	9.06	-81.89
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300005690899	1	41	0.0	-90.07	327.37	9.23	-80.84
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300005690900	1	43	0.0	-78.37	331.62	7.79	-70.58
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300005690901	1	42	0.0	-80.35	332.15	9.51	-70.84
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300005690902	1	39	0.0	-63.10	318.06	7.38	-55.72
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300005690903	1	39	0.0	-77.92	318.21	7.52	-70.40
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300005690904	1	39	0.0	-65.43	309.39	6.53	-58.90
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300005690905	1	41	0.0	-80.81	328.09	7.65	-73.16
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300005690906	1	44	0.0	-82.44	334.58	10.04	-72.40
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CC1=CC=C(C(=O)[O-])C=C1C	REAL300005690907	1	44	0.0	-90.30	339.59	9.43	-80.87
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300005690908	1	41	0.0	-92.11	327.31	9.02	-83.09
CCN1C[C@H]2C[C@@H]1CN2C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300005690909	0	45	0.0	-69.54	341.48	9.50	-60.04
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300005690909	1	45	0.0	-70.76	339.09	9.30	-61.46
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300005690909	1	45	0.0	-69.54	341.48	9.50	-60.04
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005690910	1	48	0.0	-78.09	331.39	8.52	-69.57
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC3=CC=CC=C3)CC2)C1	REAL300005690989	0	52	0.0	-45.63	379.92	8.88	-36.75
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC3=CC=CC=C3)CC2)C1	REAL300005690989	1	52	0.0	-48.54	387.33	9.35	-39.19
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005692356	0	47	0.0	-98.64	371.94	9.48	-89.16
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005693138	1	44	0.0	-86.58	356.05	8.95	-77.63
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005693138	1	44	0.0	-85.67	354.73	8.91	-76.76
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C(=O)[O-])=NN3C)CN21	REAL300005694004	1	39	0.0	-81.40	318.48	6.98	-74.42
CN1N=C(C(=O)[O-])C=C1NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005694005	0	47	0.0	-84.14	374.41	9.39	-74.75
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC(C(=O)[O-])=NN3C)CC2)=CS1	REAL300005694070	1	46	0.0	-91.92	378.96	7.50	-84.42
CN1N=C(C(=O)[O-])C=C1NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005694143	0	50	0.0	-92.41	404.91	9.01	-83.40
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300005694157	0	50	0.0	-93.49	405.63	11.34	-82.15
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300005694157	1	50	0.0	-92.43	405.62	11.35	-81.08
CN1N=C(C(=O)[O-])C=C1NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005694158	0	50	0.0	-85.56	384.58	9.88	-75.68
CN1N=C(C(=O)[O-])C=C1NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005694200	0	47	0.0	-81.23	386.41	9.60	-71.63
CN1N=C(C(=O)[O-])C=C1NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005694200	1	47	0.0	-81.41	386.36	9.58	-71.83
CN1N=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300005694237	0	46	0.0	-89.59	335.35	7.82	-81.77
CN1N=C(C(=O)[O-])C=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300005694240	0	46	0.0	-90.72	349.26	7.84	-82.88
CN1N=C(C(=O)[O-])C=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300005694240	1	46	0.0	-90.74	349.25	7.86	-82.88
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005694320	0	40	0.0	-96.04	340.05	6.89	-89.15
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300005694325	0	50	0.0	-93.23	408.24	9.08	-84.15
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005694351	0	47	0.0	-80.15	347.80	8.03	-72.12
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005694351	1	47	0.0	-80.14	348.39	8.07	-72.07
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005694352	0	48	0.0	-95.73	362.56	6.52	-89.21
CN1N=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300005694380	1	44	0.0	-92.58	349.11	5.86	-86.72
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C=C1)C(C)C	REAL300005694381	0	49	0.0	-96.72	369.47	9.01	-87.71
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C=C1)C(C)C	REAL300005694381	1	49	0.0	-94.14	368.32	8.94	-85.20
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005694404	0	44	0.0	-89.13	354.00	8.65	-80.48
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005694404	1	44	0.0	-89.21	355.66	8.71	-80.50
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005694405	0	45	0.0	-99.18	354.63	8.13	-91.05
CN1N=C(C(=O)[O-])C=C1NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300005694427	1	49	0.0	-82.84	384.26	7.54	-75.30
CN1N=C(C(=O)[O-])C=C1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005694428	0	48	0.0	-92.00	348.23	6.14	-85.86
CC(C(=O)NC1=CC(C(=O)[O-])=NN1C)[N@H+](C)CC1=CC=CC=C1	REAL300005694431	0	43	0.0	-88.15	345.84	8.23	-79.92
CC(C(=O)NC1=CC(C(=O)[O-])=NN1C)[N@@H+](C)CC1=CC=CC=C1	REAL300005694431	1	43	0.0	-88.13	345.80	8.23	-79.90
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005694441	0	50	0.0	-82.05	388.24	10.50	-71.55
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005694441	1	50	0.0	-82.05	388.23	10.51	-71.54
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300005694472	0	39	0.0	-93.42	324.77	5.89	-87.53
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=NN1C	REAL300005694483	0	48	0.0	-89.17	368.93	8.18	-80.99
CC[N@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=NN1C)C1=CC=CC=C1	REAL300005694485	1	43	0.0	-81.39	343.35	8.39	-73.00
CC[N@@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=NN1C)C1=CC=CC=C1	REAL300005694485	1	43	0.0	-81.00	344.26	8.37	-72.63
CC[NH+](CC)C(C(=O)NC1=CC(C(=O)[O-])=NN1C)C1=CC=CC=C1	REAL300005694490	0	46	0.0	-84.13	352.51	8.53	-75.60
CN1N=C(C(=O)[O-])C=C1NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300005694496	1	40	0.0	-86.30	342.30	8.27	-78.03
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005694510	0	44	0.0	-97.24	353.78	8.91	-88.33
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005694517	0	47	0.0	-88.27	370.53	9.60	-78.67
CCN1CCC([NH+]2CCC(C(=O)NC3=CC(C(=O)[O-])=NN3C)CC2)CC1	REAL300005694523	0	55	0.0	-92.67	400.66	6.84	-85.83
CC1C[NH+](CC2=CC=C(C(=O)NC3=CC(C(=O)[O-])=NN3C)C=C2)CC(C)O1	REAL300005694530	1	51	0.0	-100.81	403.81	8.64	-92.17
CN1N=C(C(=O)[O-])C=C1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005694539	1	48	0.0	-101.40	378.40	8.66	-92.74
CN1N=C(C(=O)[O-])C=C1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005694539	1	48	0.0	-101.37	378.46	8.66	-92.71
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CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005694554	1	47	0.0	-84.44	369.48	9.39	-75.05
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CC[N@H+](CC(=O)N1CCCC2=CC=C(C(=O)[O-])C=C21)C1CC1	REAL300005699411	0	44	0.0	-78.61	334.62	10.06	-68.55
CC[N@@H+](CC(=O)N1CCCC2=CC=C(C(=O)[O-])C=C21)C1CC1	REAL300005699411	1	44	0.0	-79.78	332.44	10.09	-69.69
CC(C(=O)N1CCCC2=CC=C(C(=O)[O-])C=C21)[NH+]1CCCCCC1	REAL300005699436	0	50	0.0	-78.80	353.94	10.84	-67.96
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CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)O1	REAL300005699511	0	50	0.0	-95.99	381.89	11.25	-84.74
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C[N@H+](CC(=O)N1CCCC2=CC=C(C(=O)[O-])C=C21)CC1=CC=CC=C1	REAL300005699515	1	47	0.0	-87.93	362.63	11.61	-76.32
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005699563	0	54	0.0	-94.32	407.89	13.03	-81.29
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CCC[N@@H+]1CCCC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005699754	0	50	0.0	-73.79	359.91	11.10	-62.69
CCC[N@H+]1CCCC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005699754	1	50	0.0	-74.28	360.14	11.12	-63.16
O=C([O-])C1=CC=C2CCCN(C(=O)C[NH+]3CCC(CO)CC3)C2=C1	REAL300005699781	1	48	0.0	-83.84	359.57	7.22	-76.62
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005699955	0	50	0.0	-73.60	355.08	10.89	-62.71
CC(C)[N@H+]1CCCC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005699955	1	50	0.0	-73.15	355.39	11.01	-62.14
C[N@@H+]1CC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C(C(F)(F)F)C1	REAL300005699956	0	44	0.0	-88.51	349.05	9.86	-78.65
C[N@H+]1CC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C(C(F)(F)F)C1	REAL300005699956	1	44	0.0	-89.05	335.84	9.26	-79.79
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)N1	REAL300005699978	1	45	0.0	-79.78	356.38	9.45	-70.33
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300005700369	0	50	0.0	-90.44	383.79	12.08	-78.36
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300005700376	0	51	0.0	-99.73	391.06	11.05	-88.68
O=C([O-])C1=CC=C2CCCN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)C2=C1	REAL300005700464	0	57	0.0	-82.56	425.74	14.04	-68.52
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC4=CC=C(C(=O)[O-])C=C43)C=C2)CCO1	REAL300005700466	1	55	0.0	-102.53	408.36	11.33	-91.20
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC4=CC=C(C(=O)[O-])C=C43)C=C2)CCO1	REAL300005700466	1	55	0.0	-104.72	409.24	11.35	-93.37
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005700493	0	44	0.0	-85.50	334.18	9.83	-75.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300005700497	0	50	0.0	-74.36	354.54	10.56	-63.80
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC4=CC=C(C(=O)[O-])C=C43)=CN21	REAL300005700501	0	42	0.0	-84.77	334.26	10.92	-73.85
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005700549	0	53	0.0	-75.42	377.40	11.79	-63.63
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005700549	1	53	0.0	-84.77	385.75	11.60	-73.17
CC[N@@H+]1CCCC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005700550	0	47	0.0	-73.26	338.42	10.36	-62.90
CC[N@H+]1CCCC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005700550	1	47	0.0	-84.40	344.05	10.06	-74.34
C[N@@H+]1CCCC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005700554	0	44	0.0	-86.25	326.75	9.47	-76.78
C[N@H+]1CCCC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300005700554	1	44	0.0	-71.92	321.09	9.86	-62.06
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)O1	REAL300005700556	1	44	0.0	-99.16	346.71	9.77	-89.39
O=C([O-])C1=CC=C2CCCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2=C1	REAL300005700564	1	46	0.0	-83.37	339.30	10.08	-73.29
O=C([O-])C1=CC=C2CCCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2=C1	REAL300005700564	1	46	0.0	-87.58	338.07	11.09	-76.49
O=C([O-])[C@@H](O)CCNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005701721	0	47	0.0	-72.80	368.98	6.25	-66.55
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005702442	0	44	0.0	-62.25	352.95	5.71	-56.54
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005702442	1	44	0.0	-61.21	351.19	5.64	-55.57
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300005703060	1	44	0.0	-65.78	369.77	6.23	-59.55
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300005703060	1	44	0.0	-62.92	362.30	5.64	-57.28
O=C([O-])[C@@H](O)CCNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005703116	0	47	0.0	-62.45	372.15	6.19	-56.26
CC1=NC(C[NH+]2CCC(C(=O)NCC[C@H](O)C(=O)[O-])CC2)=CS1	REAL300005703162	1	46	0.0	-71.16	376.33	4.01	-67.15
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC[C@H](O)C(=O)[O-])C=C1	REAL300005703206	0	50	0.0	-71.97	401.90	5.76	-66.21
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CC1(C(=O)NCC[C@H](O)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300005703215	0	50	0.0	-64.08	381.57	6.66	-57.42
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O=C([O-])[C@@H](O)CCNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005703287	1	47	0.0	-64.55	363.49	6.08	-58.47
O=C([O-])[C@@H](O)CCNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005703287	1	47	0.0	-64.75	363.45	6.08	-58.67
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005703288	1	44	0.0	-66.73	359.45	5.78	-60.95
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O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005703328	0	40	0.0	-71.64	337.08	3.63	-68.01
C[NH+](C)CCN1N=CC(C(=O)NCC[C@H](O)C(=O)[O-])=C1C1=CC=CC=C1	REAL300005703333	0	50	0.0	-74.82	401.11	5.77	-69.05
O=C([O-])[C@@H](O)CCNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005703356	0	48	0.0	-62.74	353.02	3.15	-59.59
CC[N@H+](CC1=CC=C(C(=O)NCC[C@H](O)C(=O)[O-])C=C1)C(C)C	REAL300005703371	0	49	0.0	-70.85	370.97	5.95	-64.90
CC[N@@H+](CC1=CC=C(C(=O)NCC[C@H](O)C(=O)[O-])C=C1)C(C)C	REAL300005703371	1	49	0.0	-70.91	365.29	5.68	-65.23
O=C([O-])[C@@H](O)CCNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005703391	0	44	0.0	-66.92	352.84	5.45	-61.47
O=C([O-])[C@@H](O)CCNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005703391	1	44	0.0	-66.45	352.84	5.52	-60.93
O=C([O-])[C@@H](O)CCNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005703392	0	45	0.0	-73.79	347.23	4.59	-69.20
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O=C([O-])[C@@H](O)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005703411	0	48	0.0	-67.48	340.75	2.68	-64.80
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005703420	0	50	0.0	-61.92	385.24	7.27	-54.65
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005703420	1	50	0.0	-61.99	385.22	7.27	-54.72
O=C([O-])[C@@H](O)CCNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005703457	1	48	0.0	-60.65	375.74	2.95	-57.70
CC[NH+](CC)C(C(=O)NCC[C@H](O)C(=O)[O-])C1=CC=CC=C1	REAL300005703462	0	46	0.0	-60.49	347.22	5.52	-54.97
C[NH+](C)C(C(=O)NCC[C@H](O)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005703463	1	40	0.0	-64.15	339.28	5.02	-59.13
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005703476	0	44	0.0	-73.82	349.91	5.58	-68.24
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005703481	0	47	0.0	-69.39	367.55	6.35	-63.04
CCN1CCC([NH+]2CCC(C(=O)NCC[C@H](O)C(=O)[O-])CC2)CC1	REAL300005703487	0	55	0.0	-68.97	398.75	3.73	-65.24
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC[C@H](O)C(=O)[O-])=C1	REAL300005703489	0	57	0.0	-73.51	451.75	9.71	-63.80
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC[C@H](O)C(=O)[O-])=C1	REAL300005703489	1	57	0.0	-71.13	448.12	9.74	-61.39
CC1C[NH+](CC2=CC=C(C(=O)NCC[C@H](O)C(=O)[O-])C=C2)CC(C)O1	REAL300005703493	1	51	0.0	-77.13	400.87	5.38	-71.75
O=C([O-])[C@@H](O)CCNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005703504	1	48	0.0	-76.11	375.38	5.50	-70.61
O=C([O-])[C@@H](O)CCNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005703504	1	48	0.0	-76.00	375.45	5.50	-70.50
O=C([O-])[C@@H](O)CCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005703519	0	47	0.0	-59.91	366.52	6.16	-53.75
O=C([O-])[C@@H](O)CCNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005703519	1	47	0.0	-59.66	366.47	6.15	-53.51
CC1=C(C(=O)NCC[C@H](O)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005703520	1	38	0.0	-75.35	323.59	2.90	-72.45
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005703527	0	47	0.0	-74.33	367.24	6.31	-68.02
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC[C@H](O)C(=O)[O-]	REAL300005703537	0	57	0.0	-71.49	443.28	9.11	-62.38
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC[C@H](O)C(=O)[O-]	REAL300005703537	1	57	0.0	-69.57	442.17	9.23	-60.34
O=C([O-])[C@@H](O)CCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005703543	1	45	0.0	-72.87	361.94	5.03	-67.84
O=C([O-])[C@@H](O)CCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005703543	1	45	0.0	-68.36	354.85	4.89	-63.47
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC[C@H](O)C(=O)[O-]	REAL300005703547	0	54	0.0	-62.90	412.02	7.84	-55.06
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC[C@H](O)C(=O)[O-]	REAL300005703547	1	54	0.0	-61.28	404.84	7.57	-53.71
CC(C(=O)NCC[C@H](O)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005703555	0	53	0.0	-63.18	406.09	7.48	-55.70
COCCOCC[N@H+](C)CCC(=O)NCC[C@H](O)C(=O)[O-]	REAL300005703579	0	47	0.0	-66.98	376.00	1.63	-65.35
COCCOCC[N@@H+](C)CCC(=O)NCC[C@H](O)C(=O)[O-]	REAL300005703579	1	47	0.0	-67.96	376.01	1.64	-66.32
O=C([O-])[C@@H](O)CCNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005703588	0	52	0.0	-72.42	402.12	5.15	-67.27
O=C([O-])[C@@H](O)CCNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300005703589	1	46	0.0	-64.23	361.52	4.41	-59.82
O=C([O-])[C@@H](O)CCNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300005703589	1	46	0.0	-64.99	352.05	4.27	-60.72
O=C([O-])[C@@H](O)CCNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300005703590	1	46	0.0	-64.94	351.96	4.16	-60.78
O=C([O-])[C@@H](O)CCNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300005703590	1	46	0.0	-62.91	351.95	4.25	-58.66
CC(C)[NH+]1CCN(CCC(=O)NCC[C@H](O)C(=O)[O-])CC1	REAL300005703608	0	48	0.0	-66.43	363.18	2.19	-64.24
CC(C)N1CC[NH+](CCC(=O)NCC[C@H](O)C(=O)[O-])CC1	REAL300005703608	1	48	0.0	-66.72	359.49	1.98	-64.74
CC(C)[NH+]1CCN(CCCC(=O)NCC[C@H](O)C(=O)[O-])CC1	REAL300005703609	0	51	0.0	-65.93	384.67	2.99	-62.94
CC(C)N1CC[NH+](CCCC(=O)NCC[C@H](O)C(=O)[O-])CC1	REAL300005703609	1	51	0.0	-68.00	380.99	2.78	-65.22
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC[C@H](O)C(=O)[O-])CC2)=C1	REAL300005703613	0	52	0.0	-70.93	402.03	5.02	-65.91
O=C([O-])[C@@H](O)CCNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005703614	0	49	0.0	-70.99	380.12	4.31	-66.68
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005703617	0	46	0.0	-69.58	363.92	4.44	-65.14
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005703617	1	46	0.0	-69.29	363.78	4.35	-64.94
CC(C(=O)NCC[C@H](O)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005703620	1	44	0.0	-63.15	342.85	5.58	-57.57
CC(C(=O)NCC[C@H](O)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005703620	1	44	0.0	-63.19	342.88	5.58	-57.61
CCC(CC)C(C(=O)NCC[C@H](O)C(=O)[O-])[NH+]1CCOCC1	REAL300005703629	1	50	0.0	-59.41	360.22	3.70	-55.71
O=C([O-])[C@@H](O)CCNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005703643	0	47	0.0	-71.38	372.87	6.24	-65.14
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O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005703661	1	47	0.0	-69.34	375.34	6.27	-63.07
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300005703662	1	43	0.0	-59.76	342.41	3.54	-56.22
O=C([O-])[C@@H](O)CCNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300005703662	1	43	0.0	-64.65	345.91	3.83	-60.82
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CC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC=N2)C1	REAL300005710348	0	45	0.0	-67.86	350.15	6.78	-61.08
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C[N@@H+]1CCCCC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005712949	0	47	0.0	-71.97	348.69	10.52	-61.45
C[N@H+]1CCCCC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005712949	1	47	0.0	-75.47	337.27	10.03	-65.44
CC(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)N1CC[NH+](C)CC1	REAL300005712950	1	52	0.0	-75.88	375.42	8.46	-67.42
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005712991	0	47	0.0	-72.20	348.68	10.52	-61.68
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C[NH+](C)CC1(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CCCCC1	REAL300005713139	0	56	0.0	-86.61	383.95	11.64	-74.97
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C[N@@H+]1CCCC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713160	0	44	0.0	-73.80	331.15	9.76	-64.04
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C[NH+]1CCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005713216	0	47	0.0	-83.90	348.67	10.31	-73.59
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CC[N@H+](CC1=CC=C(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C=C1)C(C)C	REAL300005713280	0	59	0.0	-90.32	428.98	13.38	-76.94
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C=C1)C(C)C	REAL300005713280	1	59	0.0	-91.59	425.62	13.73	-77.86
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713283	0	44	0.0	-70.83	326.99	9.45	-61.38
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713283	1	44	0.0	-71.62	332.49	9.69	-61.93
C[NH+](C)C1(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005713292	1	44	0.0	-80.60	329.49	9.33	-71.27
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CCC(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[NH+](CC)CC	REAL300005713367	0	52	0.0	-68.55	367.11	10.77	-57.78
CC(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[N@H+](C)CC1=CC=CC=C1	REAL300005713369	0	53	0.0	-77.66	399.76	12.82	-64.84
CC(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[N@@H+](C)CC1=CC=CC=C1	REAL300005713369	1	53	0.0	-76.66	399.73	12.83	-63.83
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CCC[NH+](CCC)CCCC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713408	0	58	0.0	-78.89	430.06	13.19	-65.70
CC[N@H+](C)C(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)C1=CC=CC=C1	REAL300005713409	1	53	0.0	-75.47	394.76	13.07	-62.40
CC[N@@H+](C)C(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)C1=CC=CC=C1	REAL300005713409	1	53	0.0	-71.93	395.52	12.68	-59.25
CC[NH+](CC)C(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)C1=CC=CC=C1	REAL300005713413	0	56	0.0	-76.24	403.93	13.05	-63.19
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713422	1	48	0.0	-71.68	373.77	11.65	-60.03
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C[NH+](C)CC1(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005713452	0	47	0.0	-71.61	355.75	10.45	-61.16
C[NH+](C)CCCCC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713461	0	49	0.0	-82.15	373.48	11.10	-71.05
CC(C)C(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[NH+](C)C	REAL300005713470	0	49	0.0	-72.07	350.93	10.36	-61.71
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CCC[N@H+](C)CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713530	0	46	0.0	-75.04	347.35	10.34	-64.70
CCC[N@@H+](C)CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713530	1	46	0.0	-75.07	347.34	10.34	-64.73
C[N@H+](CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)C1CCC1	REAL300005713553	0	47	0.0	-74.01	354.22	10.90	-63.11
C[N@@H+](CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)C1CCC1	REAL300005713553	1	47	0.0	-74.49	354.36	10.90	-63.59
C[N@H+](CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)CC(C)(C)C	REAL300005713584	0	52	0.0	-75.75	377.98	11.38	-64.37
C[N@@H+](CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)CC(C)(C)C	REAL300005713584	1	52	0.0	-76.71	378.47	11.49	-65.22
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713586	0	53	0.0	-77.86	407.25	13.36	-64.50
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713586	1	53	0.0	-77.80	407.25	13.35	-64.45
COCCOCC[N@H+](C)CCC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713587	0	57	0.0	-79.24	436.20	9.60	-69.64
COCCOCC[N@@H+](C)CCC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713587	1	57	0.0	-82.69	436.35	9.58	-73.11
CC[C@@H](C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[NH+](C)C	REAL300005713591	0	46	0.0	-71.67	335.08	9.74	-61.93
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005713593	0	51	0.0	-77.54	375.54	9.29	-68.25
C[N@H+]1CCCC(O)(CC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005713593	1	51	0.0	-79.96	365.61	9.01	-70.95
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CCCCCC[N@H+](C)CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713616	0	55	0.0	-76.19	411.84	12.67	-63.52
CCCCCC[N@@H+](C)CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713616	1	55	0.0	-76.26	411.84	12.68	-63.58
O=C([O-])CC1=CC=C2CCCN(C(=O)C34CCC[NH+]3CCC4)C2=C1	REAL300005713626	0	48	0.0	-71.00	346.28	10.27	-60.73
O=C([O-])CC1=CC=C2CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2=C1	REAL300005713634	1	42	0.0	-86.41	337.12	12.09	-74.32
C[N@H+](CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)C1CCSC1	REAL300005713647	0	48	0.0	-80.05	367.38	11.17	-68.88
C[N@@H+](CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)C1CCSC1	REAL300005713647	1	48	0.0	-82.88	367.46	11.14	-71.74
CC(C)[NH+]1CCN(CCC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005713663	0	58	0.0	-79.03	423.47	10.13	-68.90
CC(C)N1CC[NH+](CCC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005713663	1	58	0.0	-81.20	419.84	9.93	-71.27
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005713664	0	61	0.0	-78.27	444.97	10.94	-67.33
CC(C)N1CC[NH+](CCCC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005713664	1	61	0.0	-82.14	441.34	10.73	-71.41
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCCC4CCC[N@@H+]43)C2=C1	REAL300005713665	0	51	0.0	-68.04	372.63	11.50	-56.54
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCCC4CCC[N@H+]43)C2=C1	REAL300005713665	1	51	0.0	-78.08	364.13	11.23	-66.85
C[NH+](C)CCN1C=C(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C=N1	REAL300005713667	0	50	0.0	-88.86	388.54	10.05	-78.81
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C2=C1	REAL300005713678	0	56	0.0	-80.36	420.15	12.07	-68.29
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C2=C1	REAL300005713678	1	56	0.0	-83.06	423.22	12.22	-70.84
CC(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005713683	1	54	0.0	-76.54	401.16	13.22	-63.32
CC(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[N@H+]1CCC2=CC=CC=C2C1	REAL300005713683	1	54	0.0	-78.59	399.33	13.15	-65.44
CCCC(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[NH+](C)C	REAL300005713702	0	49	0.0	-72.53	358.93	10.71	-61.82
O=C([O-])CC1=CC=C2CCCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005713703	0	57	0.0	-86.41	431.02	14.11	-72.30
O=C([O-])CC1=CC=C2CCCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005713703	1	57	0.0	-86.98	433.18	14.19	-72.79
C[NH+](C)CCN1C=CC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)=N1	REAL300005713718	0	50	0.0	-96.93	389.47	10.65	-86.28
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713719	0	50	0.0	-65.24	383.93	10.01	-55.23
C[C@@H]1[C@H](C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC[N@@H+]1C	REAL300005713723	0	47	0.0	-86.30	342.98	9.82	-76.48
C[C@@H]1[C@H](C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC[N@H+]1C	REAL300005713723	1	47	0.0	-83.43	349.24	10.09	-73.34
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713725	1	51	0.0	-72.64	394.07	12.17	-60.47
CC[C@@H]1[C@@H](C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC[N@@H+]1C	REAL300005713728	0	50	0.0	-81.52	362.91	10.37	-71.15
CC[C@@H]1[C@@H](C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC[N@H+]1C	REAL300005713728	1	50	0.0	-79.25	364.49	10.87	-68.38
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)=NN1	REAL300005713730	1	51	0.0	-86.68	391.20	10.30	-76.38
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)=NN1	REAL300005713730	1	51	0.0	-85.08	386.57	9.83	-75.25
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713731	1	46	0.0	-72.83	353.28	10.55	-62.28
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713731	1	46	0.0	-75.02	357.72	11.04	-63.98
CC1C[N@H+](C)CC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)O1	REAL300005713737	1	48	0.0	-93.33	356.22	9.70	-83.63
CC1C[N@@H+](C)CC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)O1	REAL300005713737	1	48	0.0	-90.77	362.59	9.80	-80.97
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C2=C1	REAL300005713743	1	53	0.0	-68.94	404.75	11.76	-57.18
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C2=C1	REAL300005713743	1	53	0.0	-83.44	405.95	11.63	-71.81
O=C([O-])CC1=CC=C2CCCN(C(=O)C[NH+]3CCCC3)C2=C1	REAL300005713746	0	44	0.0	-74.49	332.08	9.93	-64.56
CC1=[NH+]C=CN1CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713748	1	42	0.0	-72.74	337.55	10.52	-62.22
CC(C[NH+]1CCOCC1)C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713750	1	51	0.0	-81.73	378.18	9.47	-72.26
CC1CC[NH+](CC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005713767	0	50	0.0	-78.12	370.82	11.30	-66.82
CC[N@@H+]1CCOC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005713778	1	48	0.0	-80.99	351.98	9.44	-71.55
CC[N@H+]1CCOC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005713778	1	48	0.0	-91.60	359.54	9.63	-81.97
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C2=C1	REAL300005713816	0	57	0.0	-79.61	409.78	12.68	-66.93
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C2=C1	REAL300005713816	1	57	0.0	-82.48	410.06	12.64	-69.84
C[N@@H+]1CCCC1CCC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713822	0	50	0.0	-85.88	375.51	11.46	-74.42
C[N@H+]1CCCC1CCC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713822	1	50	0.0	-77.81	370.04	10.99	-66.82
O=C([O-])CC1=CC=C2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2=C1	REAL300005713835	0	51	0.0	-80.66	356.46	10.63	-70.03
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713837	1	48	0.0	-81.22	341.91	6.23	-74.99
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713837	1	48	0.0	-71.89	349.14	6.37	-65.52
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCC4CCCC[N@@H+]43)C2=C1	REAL300005713838	0	51	0.0	-73.20	367.56	11.39	-61.81
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCC4CCCC[N@H+]43)C2=C1	REAL300005713838	1	51	0.0	-70.74	367.85	11.35	-59.39
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713845	0	54	0.0	-78.33	380.17	9.51	-68.82
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C=N1	REAL300005713850	0	57	0.0	-88.30	428.11	11.47	-76.83
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C=N1	REAL300005713850	1	57	0.0	-80.17	419.67	11.17	-69.00
CC[NH+](CC)CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005713862	0	46	0.0	-72.82	344.03	10.25	-62.57
CC(C)[NH+]1CCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005713864	0	53	0.0	-81.46	383.00	11.50	-69.96
O=C([O-])CC1=CC=C2CCCN(C(=O)C34CC[NH+](CC3)C4)C2=C1	REAL300005713944	0	45	0.0	-84.37	331.99	9.09	-75.28
CCC(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[NH+](C)C	REAL300005713947	0	46	0.0	-72.31	337.43	9.94	-62.37
O=C([O-])CC1=CC=C2CCCN(C(=O)C34CC[N@H+](C3)CCC4)C2=C1	REAL300005713955	0	48	0.0	-88.73	340.57	9.75	-78.98
O=C([O-])CC1=CC=C2CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C2=C1	REAL300005713955	1	48	0.0	-80.83	341.09	9.74	-71.09
CC1CCC(C)[NH+]1CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714002	0	50	0.0	-73.43	364.86	10.79	-62.64
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)=C1	REAL300005714003	0	50	0.0	-81.87	383.51	12.02	-69.85
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005714004	0	57	0.0	-76.05	419.66	14.05	-62.00
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005714004	1	57	0.0	-74.84	419.06	14.02	-60.82
C[NH+](C)C1(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CCC1	REAL300005714042	0	47	0.0	-84.35	336.78	9.37	-74.98
C#CC[NH+]1CCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005714072	0	49	0.0	-87.58	373.35	11.47	-76.11
CCC[N@@H+]1CCCCC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714074	0	53	0.0	-72.74	380.25	11.58	-61.16
CCC[N@H+]1CCCCC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714074	1	53	0.0	-69.68	386.97	11.80	-57.88
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714075	0	50	0.0	-62.92	380.31	12.21	-50.71
CC[NH+]1CCN(CCC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005714077	0	55	0.0	-83.41	405.56	9.47	-73.94
CCN1CC[NH+](CCC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005714077	1	55	0.0	-81.48	406.78	9.63	-71.85
CC(C)[N@H+](C)CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714078	0	46	0.0	-73.98	342.54	10.10	-63.88
CC(C)[N@@H+](C)CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714078	1	46	0.0	-72.55	342.54	10.11	-62.44
CC(C)C(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[NH+]1CCCCC1	REAL300005714079	0	56	0.0	-75.06	391.83	12.20	-62.86
C[NH+](C)C(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)C1=CC=CC=C1	REAL300005714080	1	50	0.0	-72.03	377.46	12.18	-59.85
O=C([O-])CC1=CC=C2CCCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005714084	0	55	0.0	-76.94	414.56	10.41	-66.53
O=C([O-])CC1=CC=C2CCCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C2=C1	REAL300005714084	1	55	0.0	-76.22	414.54	10.08	-66.14
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714089	1	51	0.0	-74.05	393.58	12.12	-61.93
C[NH+](C)CC1=C(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)OC2=CC=CC=C21	REAL300005714091	0	53	0.0	-62.00	404.33	12.88	-49.12
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2=C1	REAL300005714097	0	54	0.0	-76.99	381.61	12.33	-64.66
O=C([O-])CC1=CC=C2CCCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2=C1	REAL300005714097	1	54	0.0	-76.25	391.51	12.31	-63.94
CC[N@H+](CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)C1CC1	REAL300005714099	0	47	0.0	-73.16	357.45	10.95	-62.21
CC[N@@H+](CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)C1CC1	REAL300005714099	1	47	0.0	-72.56	354.48	10.88	-61.68
CC(C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[NH+]1CCCCCC1	REAL300005714128	0	53	0.0	-70.46	370.57	11.41	-59.05
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714132	0	44	0.0	-71.57	331.36	9.74	-61.83
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714132	1	44	0.0	-76.83	326.64	9.33	-67.50
CC(C)(C)[NH2+]CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714217	0	46	0.0	-73.04	347.07	8.63	-64.41
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)O1	REAL300005714219	0	53	0.0	-86.99	404.12	12.02	-74.97
O=C([O-])CC1=CC=C2CCCN(C(=O)CCCC[NH+]3CCCC3)C2=C1	REAL300005714220	0	53	0.0	-82.68	399.50	12.28	-70.40
CC1=CC=C(N2CCC(C(=O)N3CCCC4=CC=C(CC(=O)[O-])C=C43)CC2)[NH+]=C1	REAL300005714222	1	56	0.0	-83.46	418.19	11.75	-71.71
C[N@H+](CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)CC1=CC=CC=C1	REAL300005714223	1	50	0.0	-79.66	384.77	12.51	-67.15
C[N@@H+](CC(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)CC1=CC=CC=C1	REAL300005714223	1	50	0.0	-79.99	384.78	12.51	-67.48
CC(C)[C@@H](C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21)[NH+](C)C	REAL300005714234	0	49	0.0	-75.68	350.76	10.53	-65.15
C[NH+](C)CC1=CC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)=NO1	REAL300005714280	1	46	0.0	-85.65	363.92	10.17	-75.48
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714284	0	57	0.0	-86.22	430.10	13.82	-72.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714284	1	57	0.0	-83.45	429.92	13.81	-69.64
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714298	0	50	0.0	-71.97	358.78	11.10	-60.87
CC(C)[N@H+]1CCCC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714298	1	50	0.0	-73.22	362.52	10.80	-62.42
C[NH+]1CCC(OCC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005714320	0	51	0.0	-90.09	388.08	10.98	-79.11
O=C([O-])CC1=CC=C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C2=C1	REAL300005714325	0	54	0.0	-89.20	410.96	12.53	-76.67
CCC[N@@H+]1CCCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005714515	0	53	0.0	-70.00	381.70	11.85	-58.15
CCC[N@H+]1CCCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005714515	1	53	0.0	-69.09	382.27	11.90	-57.19
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714546	0	53	0.0	-73.29	390.30	11.96	-61.33
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC2=CC=C(CC(=O)[O-])C=C21	REAL300005714546	1	53	0.0	-72.89	388.44	11.89	-61.00
O=C([O-])CC1=CC=C2CCCN(C(=O)C[NH+]3CCC(CO)CC3)C2=C1	REAL300005714547	1	51	0.0	-77.96	381.71	7.98	-69.98
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005714775	0	53	0.0	-69.86	376.87	11.63	-58.23
CC(C)[N@H+]1CCCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005714775	1	53	0.0	-67.12	377.56	11.80	-55.32
C[N@@H+]1CC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C(C(F)(F)F)C1	REAL300005714776	0	47	0.0	-90.89	369.95	10.53	-80.36
C[N@H+]1CC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C(C(F)(F)F)C1	REAL300005714776	1	47	0.0	-82.70	359.77	10.30	-72.40
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)N1	REAL300005714801	1	48	0.0	-72.60	378.36	10.25	-62.35
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)=C1	REAL300005715285	0	53	0.0	-83.59	406.00	12.86	-70.73
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C=C1	REAL300005715292	0	54	0.0	-94.67	413.13	11.83	-82.84
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005715432	0	47	0.0	-76.66	357.37	10.66	-66.00
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)CC1	REAL300005715436	0	53	0.0	-67.51	376.92	11.31	-56.20
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC4=CC=C(CC(=O)[O-])C=C43)=CN21	REAL300005715440	0	45	0.0	-79.50	363.75	11.93	-67.57
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005715502	0	56	0.0	-71.33	399.18	12.54	-58.79
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005715502	1	56	0.0	-78.07	405.15	12.37	-65.70
CC[N@@H+]1CCCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005715503	0	50	0.0	-69.55	360.25	11.12	-58.43
CC[N@H+]1CCCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005715503	1	50	0.0	-77.08	366.30	10.93	-66.15
C[N@@H+]1CCCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005715508	0	47	0.0	-81.91	351.44	10.33	-71.58
C[N@H+]1CCCC(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005715508	1	47	0.0	-66.92	343.23	10.64	-56.28
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)O1	REAL300005715510	1	47	0.0	-89.68	368.30	10.55	-79.13
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005715516	0	56	0.0	-83.29	390.64	11.52	-71.77
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC3=CC=C(CC(=O)[O-])C=C32)C1	REAL300005715516	1	56	0.0	-85.99	383.01	11.09	-74.90
O=C([O-])CC1=CC=C2CCCN(C(=O)C34CC(C3)CN4C3CC3)C2=C1	REAL300005715519	0	49	0.0	-78.84	360.72	11.84	-67.00
O=C([O-])CC1=CC=C2CCCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2=C1	REAL300005715519	1	49	0.0	-77.89	368.35	11.39	-66.50
O=C([O-])CC1=CC=C2CCCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2=C1	REAL300005715519	1	49	0.0	-78.84	360.72	11.84	-67.00
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@@H]2CC[C@H](CO)O2)C1	REAL300005715550	1	45	0.0	-47.14	340.28	2.24	-44.90
O=C([O-])CC1=CSC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300005716801	0	49	0.0	-71.52	402.45	8.79	-62.73
O=C([O-])CC1=CSC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300005717500	1	46	0.0	-61.52	379.20	7.69	-53.83
O=C([O-])CC1=CSC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300005717500	1	46	0.0	-62.01	385.25	8.22	-53.79
O=C([O-])CC1=CSC(CNC(=O)C2CC[NH+](C3CC3)CC2)=N1	REAL300005718429	0	43	0.0	-64.49	350.81	6.42	-58.07
O=C([O-])CC1=CSC(CNC(=O)C2CCC[N@@H+]2C2CC2)=N1	REAL300005718459	1	40	0.0	-58.52	338.85	6.08	-52.44
O=C([O-])CC1=CSC(CNC(=O)C2CCC[N@H+]2C2CC2)=N1	REAL300005718459	1	40	0.0	-57.97	331.83	5.41	-52.56
CC1=[NH+]C=C2CCC(C(=O)NCC3=NC(CC(=O)[O-])=CS3)CN21	REAL300005718465	1	41	0.0	-61.18	348.99	6.30	-54.88
O=C([O-])CC1=CSC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=N1	REAL300005718466	0	49	0.0	-66.26	404.31	8.67	-57.59
CC1=NC(C[NH+]2CCC(C(=O)NCC3=NC(CC(=O)[O-])=CS3)CC2)=CS1	REAL300005718544	1	48	0.0	-69.82	409.90	6.55	-63.27
CC(C(=O)NCC1=NC(CC(=O)[O-])=CS1)N1CC[NH+](C)CC1	REAL300005718545	1	44	0.0	-69.47	354.62	3.40	-66.07
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=NC(CC(=O)[O-])=CS2)C=C1	REAL300005718631	0	52	0.0	-74.04	435.43	8.31	-65.73
CC1(C(=O)NCC2=NC(CC(=O)[O-])=CS2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005718644	0	52	0.0	-57.87	415.07	9.22	-48.65
O=C([O-])CC1=CSC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)=N1	REAL300005718702	0	34	0.0	-68.97	311.52	7.07	-61.90
C[NH+](C)CC1(C(=O)NCC2=NC(CC(=O)[O-])=CS2)CCCCC1	REAL300005718735	0	48	0.0	-54.49	366.03	7.22	-47.27
C[N@H+](CCC(=O)NCC1=NC(CC(=O)[O-])=CS1)C1CCCCC1	REAL300005718740	0	48	0.0	-66.68	379.78	7.16	-59.52
C[N@@H+](CCC(=O)NCC1=NC(CC(=O)[O-])=CS1)C1CCCCC1	REAL300005718740	1	48	0.0	-66.05	379.78	7.16	-58.89
O=C([O-])CC1=CSC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=N1	REAL300005718816	0	42	0.0	-74.55	370.62	6.19	-68.36
O=C([O-])CC1=CSC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)=N1	REAL300005718840	0	49	0.0	-57.56	379.32	7.37	-50.19
O=C([O-])CC1=CSC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)=N1	REAL300005718840	1	49	0.0	-58.71	374.03	7.50	-51.21
O=C([O-])CC1=CSC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)=N1	REAL300005718841	0	50	0.0	-70.42	393.09	5.84	-64.58
CC1=[NH+]C=CN1CCCC(=O)NCC1=NC(CC(=O)[O-])=CS1	REAL300005718872	1	40	0.0	-64.90	352.34	6.46	-58.44
O=C([O-])CC1=CSC(CNC(=O)CCCC[NH+]2CCOCC2)=N1	REAL300005718873	1	46	0.0	-72.25	379.63	5.16	-67.09
CC[N@H+](CC1=CC=C(C(=O)NCC2=NC(CC(=O)[O-])=CS2)C=C1)C(C)C	REAL300005718875	0	51	0.0	-71.93	400.68	8.51	-63.42
CC[N@@H+](CC1=CC=C(C(=O)NCC2=NC(CC(=O)[O-])=CS2)C=C1)C(C)C	REAL300005718875	1	51	0.0	-70.27	398.87	8.23	-62.04
O=C([O-])CC1=CSC(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300005718909	0	46	0.0	-67.95	385.96	8.05	-59.90
O=C([O-])CC1=CSC(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300005718909	1	46	0.0	-67.77	387.09	8.07	-59.70
O=C([O-])CC1=CSC(CNC(=O)C2CC[NH+](C3CCSC3)CC2)=N1	REAL300005718910	0	47	0.0	-70.43	380.76	7.13	-63.30
C[NH+]1CCN(C(C(=O)NCC2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C2)CC1	REAL300005718938	1	51	0.0	-66.87	414.78	6.86	-60.01
O=C([O-])CC1=CSC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)=N1	REAL300005718939	0	50	0.0	-66.29	374.28	5.24	-61.05
CCC(C(=O)NCC1=NC(CC(=O)[O-])=CS1)[NH+](CC)CC	REAL300005718943	0	44	0.0	-57.02	347.53	5.87	-51.15
CC(C(=O)NCC1=NC(CC(=O)[O-])=CS1)[N@H+](C)CC1=CC=CC=C1	REAL300005718945	0	45	0.0	-64.42	376.12	7.55	-56.87
CC(C(=O)NCC1=NC(CC(=O)[O-])=CS1)[N@@H+](C)CC1=CC=CC=C1	REAL300005718945	1	45	0.0	-63.70	376.26	7.57	-56.13
O=C([O-])CC1=CSC(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=N1	REAL300005718955	0	52	0.0	-70.95	425.05	9.61	-61.34
O=C([O-])CC1=CSC(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=N1	REAL300005718955	1	52	0.0	-62.72	418.76	9.83	-52.89
C[NH+](C)CC1=CC=C(C(=O)NCC2=NC(CC(=O)[O-])=CS2)C=N1	REAL300005718980	0	41	0.0	-72.17	355.30	5.21	-66.96
CCC[NH+](CCC)CCCC(=O)NCC1=NC(CC(=O)[O-])=CS1	REAL300005718989	0	50	0.0	-68.00	403.92	7.78	-60.22
CC[N@H+](C)C(C(=O)NCC1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300005718991	0	45	0.0	-56.35	374.80	7.69	-48.66
CC[N@@H+](C)C(C(=O)NCC1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300005718991	1	45	0.0	-56.73	374.59	7.67	-49.06
CC[NH+](CC)C(C(=O)NCC1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300005718995	0	48	0.0	-56.20	380.07	7.90	-48.30
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=NC(CC(=O)[O-])=CS1	REAL300005719003	1	40	0.0	-59.80	347.02	6.29	-53.51
C[NH+](C)C(C(=O)NCC1=NC(CC(=O)[O-])=CS1)C1=CC=C(Cl)C=C1	REAL300005719007	1	42	0.0	-61.16	372.83	7.57	-53.59
O=C([O-])CC1=CSC(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=N1	REAL300005719020	0	46	0.0	-73.29	384.32	8.20	-65.09
O=C([O-])CC1=CSC(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=N1	REAL300005719027	0	49	0.0	-72.95	401.07	8.91	-64.04
CCN1CCC([NH+]2CCC(C(=O)NCC3=NC(CC(=O)[O-])=CS3)CC2)CC1	REAL300005719033	0	57	0.0	-66.80	432.26	6.29	-60.51
O=C([O-])CC1=CSC(CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300005719053	1	50	0.0	-74.62	408.91	8.06	-66.56
O=C([O-])CC1=CSC(CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300005719053	1	50	0.0	-73.34	415.70	8.10	-65.24
O=C([O-])CC1=CSC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300005719065	1	49	0.0	-56.66	400.02	8.71	-47.95
O=C([O-])CC1=CSC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300005719065	1	49	0.0	-58.88	390.57	8.55	-50.33
CC1=C(C(=O)NCC2=NC(CC(=O)[O-])=CS2)C=NN1C1=CC=[NH+]C=C1	REAL300005719067	1	40	0.0	-78.47	357.13	5.45	-73.02
O=C([O-])CC1=CSC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=N1	REAL300005719075	0	49	0.0	-73.81	400.77	8.86	-64.95
O=C([O-])CC1=CSC(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=N1	REAL300005719088	1	42	0.0	-76.92	364.76	5.66	-71.26
C[NH+](C)CCC1=CC=C(C(=O)NCC2=NC(CC(=O)[O-])=CS2)C=C1	REAL300005719089	0	45	0.0	-76.72	382.01	7.90	-68.82
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=NC(CC(=O)[O-])=CS1	REAL300005719101	1	38	0.0	-57.74	330.65	4.63	-53.11
O=C([O-])CC1=CSC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300005719102	1	47	0.0	-64.06	395.49	7.59	-56.47
O=C([O-])CC1=CSC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300005719102	1	47	0.0	-72.77	395.50	7.59	-65.18
C[N@H+](CC(=O)NCC1=NC(CC(=O)[O-])=CS1)CC(C)(C)C	REAL300005719165	0	44	0.0	-61.80	351.51	6.14	-55.66
C[N@@H+](CC(=O)NCC1=NC(CC(=O)[O-])=CS1)CC(C)(C)C	REAL300005719165	1	44	0.0	-62.53	351.16	6.12	-56.41
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=NC(CC(=O)[O-])=CS1	REAL300005719167	0	45	0.0	-67.05	380.51	8.00	-59.05
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=NC(CC(=O)[O-])=CS1	REAL300005719167	1	45	0.0	-66.80	380.50	8.00	-58.80
COCCOCC[N@H+](C)CCC(=O)NCC1=NC(CC(=O)[O-])=CS1	REAL300005719168	0	49	0.0	-67.65	409.53	4.18	-63.47
COCCOCC[N@@H+](C)CCC(=O)NCC1=NC(CC(=O)[O-])=CS1	REAL300005719168	1	49	0.0	-67.17	409.55	4.18	-62.99
C[N@@H+]1CCCC(O)(CC(=O)NCC2=NC(CC(=O)[O-])=CS2)C1	REAL300005719172	0	43	0.0	-61.88	341.99	3.72	-58.16
C[N@H+]1CCCC(O)(CC(=O)NCC2=NC(CC(=O)[O-])=CS2)C1	REAL300005719172	1	43	0.0	-61.30	351.68	3.92	-57.38
CCCCCC[N@H+](C)CC(=O)NCC1=NC(CC(=O)[O-])=CS1	REAL300005719192	0	47	0.0	-63.94	385.09	7.32	-56.62
CCCCCC[N@@H+](C)CC(=O)NCC1=NC(CC(=O)[O-])=CS1	REAL300005719192	1	47	0.0	-64.12	385.10	7.32	-56.80
O=C([O-])CC1=CSC(CNC(=O)C23CCC[NH+]2CCC3)=N1	REAL300005719202	0	40	0.0	-55.54	325.95	5.54	-50.00
O=C([O-])CC1=CSC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)=N1	REAL300005719210	1	34	0.0	-71.19	311.80	7.07	-64.12
C[N@H+](CC(=O)NCC1=NC(CC(=O)[O-])=CS1)C1CCSC1	REAL300005719228	0	40	0.0	-66.30	340.86	5.79	-60.51
C[N@@H+](CC(=O)NCC1=NC(CC(=O)[O-])=CS1)C1CCSC1	REAL300005719228	1	40	0.0	-67.31	340.65	5.81	-61.50
CC(C)[NH+]1CCN(CCC(=O)NCC2=NC(CC(=O)[O-])=CS2)CC1	REAL300005719243	0	50	0.0	-66.55	396.72	4.74	-61.81
CC(C)N1CC[NH+](CCC(=O)NCC2=NC(CC(=O)[O-])=CS2)CC1	REAL300005719243	1	50	0.0	-66.60	393.54	4.57	-62.03
CC(C)[NH+]1CCN(CCCC(=O)NCC2=NC(CC(=O)[O-])=CS2)CC1	REAL300005719244	0	53	0.0	-68.98	418.22	5.55	-63.43
CC(C)N1CC[NH+](CCCC(=O)NCC2=NC(CC(=O)[O-])=CS2)CC1	REAL300005719244	1	53	0.0	-68.45	414.53	5.33	-63.12
O=C([O-])CC1=CSC(CNC(=O)C2CCCC3CCC[N@@H+]32)=N1	REAL300005719245	0	43	0.0	-56.74	345.77	6.40	-50.34
O=C([O-])CC1=CSC(CNC(=O)C2CCCC3CCC[N@H+]32)=N1	REAL300005719245	1	43	0.0	-57.50	345.86	6.42	-51.08
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CC(C)C1(O)CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005721335	0	50	0.0	-45.31	344.94	5.86	-39.45
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O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC3=C(C=N2)OCCO3)C1	REAL300005721432	1	42	0.0	-53.61	330.73	6.15	-47.46
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC3=C(C=N2)OCCO3)C1	REAL300005721432	1	42	0.0	-53.61	330.73	6.15	-47.46
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCN2C2=CC=CC=C2)C1	REAL300005721574	0	52	0.0	-44.37	380.52	8.12	-36.25
CC1(C)C2CCC1(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300005721693	0	53	0.0	-47.33	376.63	8.86	-38.47
COC1=CC=C2C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CNC2=C1	REAL300005721816	0	51	0.0	-50.85	391.42	7.07	-43.78
CC1=CC=CC(C)=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005721901	0	46	0.0	-47.85	351.32	8.47	-39.38
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005723268	0	50	0.0	-69.41	406.64	11.29	-58.12
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=CSC4=CC=CC=C34)C(=O)[O-])CN21	REAL300005723290	1	48	0.0	-63.45	400.66	10.91	-52.54
C[NH+](C)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723339	0	39	0.0	-61.66	333.04	8.16	-53.50
CC(C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005723340	1	51	0.0	-71.55	399.17	8.21	-63.34
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723366	0	46	0.0	-55.39	374.96	9.77	-45.62
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723366	1	46	0.0	-59.11	365.69	9.60	-49.51
C[NH+]1CCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300005723404	0	46	0.0	-74.75	370.51	10.02	-64.73
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005723431	0	41	0.0	-71.61	363.20	11.67	-59.94
C[NH+](C)CC1(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CCCCC1	REAL300005723452	0	55	0.0	-52.35	411.95	11.62	-40.73
C[N@H+](CCC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CCCCC1	REAL300005723455	0	55	0.0	-67.13	431.46	11.76	-55.37
C[N@@H+](CCC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CCCCC1	REAL300005723455	1	55	0.0	-67.21	431.21	11.81	-55.40
C[N@@H+]1CCCC1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723467	0	43	0.0	-57.76	350.89	9.45	-48.31
C[N@H+]1CCCC1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723467	1	43	0.0	-58.35	359.24	9.23	-49.12
C[NH+]1CCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300005723506	0	46	0.0	-74.75	370.51	10.02	-64.73
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723539	1	47	0.0	-68.86	403.98	11.08	-57.78
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)CCCC[NH+]1CCOCC1	REAL300005723540	1	53	0.0	-75.88	431.31	9.75	-66.13
C[C@@H](C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300005723544	0	42	0.0	-60.94	344.01	8.78	-52.16
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723545	0	43	0.0	-55.67	350.33	8.68	-46.99
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723545	1	43	0.0	-59.87	357.84	9.29	-50.58
C[C@H](C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300005723548	0	42	0.0	-61.29	350.88	8.66	-52.63
CCC(C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])[NH+](CC)CC	REAL300005723601	0	51	0.0	-53.78	395.39	10.24	-43.54
CC(C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005723603	0	52	0.0	-62.56	427.99	12.18	-50.38
CC(C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005723603	1	52	0.0	-62.62	427.81	12.16	-50.46
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300005723616	0	48	0.0	-80.99	406.97	10.18	-70.81
CCC[NH+](CCC)CCCC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723618	0	57	0.0	-69.48	455.36	12.44	-57.04
C[N@@H+]1CCOC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005723619	1	44	0.0	-67.33	344.73	8.28	-59.05
C[N@H+]1CCOC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005723619	1	44	0.0	-71.12	363.26	8.46	-62.66
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723627	1	47	0.0	-56.65	391.33	11.18	-45.47
C[NH+](C)CC1(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300005723638	0	46	0.0	-53.65	382.62	9.85	-43.80
C[NH+](C)CCCCC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723642	0	48	0.0	-74.51	398.16	10.35	-64.16
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005723662	1	49	0.0	-78.95	409.34	10.46	-68.49
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300005723663	0	52	0.0	-89.94	424.53	12.61	-77.33
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723667	1	45	0.0	-59.88	382.29	9.25	-50.63
CCC[N@H+](C)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723671	0	45	0.0	-59.16	372.03	9.64	-49.52
CCC[N@@H+](C)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723671	1	45	0.0	-58.86	365.15	9.78	-49.08
C[N@H+](CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CCC1	REAL300005723683	0	46	0.0	-55.60	371.90	10.42	-45.18
C[N@@H+](CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CCC1	REAL300005723683	1	46	0.0	-56.79	378.92	10.20	-46.59
C[N@H+](CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])CC(C)(C)C	REAL300005723699	0	51	0.0	-57.70	393.52	10.85	-46.85
C[N@@H+](CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])CC(C)(C)C	REAL300005723699	1	51	0.0	-59.13	402.82	10.71	-48.42
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723701	0	52	0.0	-61.36	425.06	12.80	-48.56
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723701	1	52	0.0	-62.54	432.17	12.60	-49.94
CC[C@@H](C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300005723703	0	45	0.0	-57.05	355.32	9.43	-47.62
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005723705	0	50	0.0	-64.60	393.40	8.38	-56.22
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005723705	1	50	0.0	-69.65	390.74	8.43	-61.22
CCCCCC[N@H+](C)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723716	0	54	0.0	-60.95	436.76	11.92	-49.03
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723716	1	54	0.0	-59.11	429.40	12.19	-46.92
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005723730	1	41	0.0	-79.04	363.47	11.69	-67.35
C[N@H+](CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CCSC1	REAL300005723738	0	47	0.0	-60.64	385.18	10.67	-49.97
C[N@@H+](CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CCSC1	REAL300005723738	1	47	0.0	-61.75	392.31	10.41	-51.34
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005723752	0	50	0.0	-54.49	397.35	11.06	-43.43
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1CCCC2CCC[N@H+]21	REAL300005723752	1	50	0.0	-59.68	387.10	10.74	-48.94
C[NH+](C)CCN1C=C(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300005723753	0	49	0.0	-82.47	417.36	9.66	-72.81
C[NH+](C)CCN1C=CC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=N1	REAL300005723779	0	49	0.0	-91.62	409.77	9.91	-81.71
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723780	0	49	0.0	-55.28	392.99	9.38	-45.90
C[C@@H]1[C@H](C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC[N@@H+]1C	REAL300005723782	0	46	0.0	-66.88	367.70	9.24	-57.64
C[C@@H]1[C@H](C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC[N@H+]1C	REAL300005723782	1	46	0.0	-67.16	372.08	9.43	-57.73
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723783	1	50	0.0	-62.19	418.75	11.43	-50.76
CC[C@@H]1[C@@H](C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC[N@@H+]1C	REAL300005723786	0	49	0.0	-72.33	378.70	9.99	-62.34
CC[C@@H]1[C@@H](C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC[N@H+]1C	REAL300005723786	1	49	0.0	-67.78	382.23	10.47	-57.31
CC1C[N@H+](C)CC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])O1	REAL300005723792	1	47	0.0	-73.47	384.84	9.34	-64.13
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])O1	REAL300005723792	1	47	0.0	-82.71	372.02	8.90	-73.81
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C[NH+]1CCCC1	REAL300005723797	0	43	0.0	-59.84	358.54	9.30	-50.54
CC1=[NH+]C=CN1CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723799	1	41	0.0	-56.68	355.11	10.05	-46.63
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723801	0	50	0.0	-68.10	404.35	8.89	-59.21
CC1CC[NH+](CC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300005723820	0	49	0.0	-60.11	396.00	10.67	-49.44
CC[N@@H+]1CCOC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005723831	1	47	0.0	-78.15	387.94	9.33	-68.82
CC[N@H+]1CCOC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005723831	1	47	0.0	-77.89	375.52	9.32	-68.57
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723860	0	49	0.0	-72.93	400.98	10.65	-62.28
C[N@H+]1CCCC1CCC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723860	1	49	0.0	-69.62	387.86	10.39	-59.23
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005723868	0	50	0.0	-58.44	386.53	10.92	-47.52
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1CCC2CCCC[N@H+]21	REAL300005723868	1	50	0.0	-56.62	386.63	10.85	-45.77
CC[NH+](CC)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723884	0	45	0.0	-58.36	364.62	9.24	-49.12
CC(C)[NH+]1CCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300005723886	0	52	0.0	-73.31	411.94	11.01	-62.30
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C12CC[NH+](CC1)C2	REAL300005723946	0	44	0.0	-71.49	364.39	8.75	-62.74
CCC(C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300005723949	0	45	0.0	-59.84	363.44	9.17	-50.67
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C12CC[N@H+](C1)CCC2	REAL300005723956	0	47	0.0	-70.88	360.82	9.40	-61.48
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300005723956	1	47	0.0	-74.31	373.60	9.57	-64.74
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005723984	0	49	0.0	-55.55	388.66	10.07	-45.48
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=C1	REAL300005723985	0	49	0.0	-77.81	410.96	11.72	-66.09
C#CC[NH+]1CCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300005724022	0	48	0.0	-78.00	402.54	11.09	-66.91
CC[NH+]1CCN(CCC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300005724024	0	54	0.0	-75.19	431.14	8.79	-66.40
CCN1CC[NH+](CCC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300005724024	1	54	0.0	-65.72	424.29	9.09	-56.63
CC(C)[N@H+](C)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005724025	0	45	0.0	-55.77	360.10	9.63	-46.14
CC(C)[N@@H+](C)CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005724025	1	45	0.0	-56.59	367.22	9.42	-47.17
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005724029	1	50	0.0	-61.34	418.23	11.38	-49.96
CC[N@H+](CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300005724034	0	46	0.0	-59.83	373.89	9.80	-50.03
CC[N@@H+](CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300005724034	1	46	0.0	-57.21	379.16	10.21	-47.00
CC(C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])[NH+]1CCCCCC1	REAL300005724049	0	52	0.0	-55.34	403.89	11.00	-44.34
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005724052	0	43	0.0	-57.93	351.14	9.45	-48.48
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005724052	1	43	0.0	-62.18	345.90	8.93	-53.25
CC(C)(C)[NH2+]CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005724098	0	45	0.0	-58.25	371.99	7.86	-50.39
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)CCCC[NH+]1CCCC1	REAL300005724099	0	52	0.0	-72.57	424.13	11.54	-61.03
C[N@H+](CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])CC1=CC=CC=C1	REAL300005724101	1	49	0.0	-63.25	409.69	11.75	-51.50
C[N@@H+](CC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])CC1=CC=CC=C1	REAL300005724101	1	49	0.0	-62.08	402.63	11.97	-50.11
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005724123	1	44	0.0	-79.13	384.71	9.87	-69.26
C[NH+](C)CC1=CC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=NO1	REAL300005724134	1	45	0.0	-79.90	384.21	9.45	-70.45
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005724145	0	49	0.0	-61.92	381.99	10.25	-51.67
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300005724145	1	49	0.0	-59.18	372.30	10.27	-48.91
C[NH+]1CCC(OCC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300005724159	0	50	0.0	-79.66	412.72	10.33	-69.33
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724260	0	52	0.0	-66.88	403.84	11.16	-55.72
CCC[N@H+]1CCCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724260	1	52	0.0	-66.83	408.84	11.42	-55.41
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C[NH+]1CCC(CO)CC1	REAL300005724276	1	50	0.0	-60.55	406.83	7.34	-53.21
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724401	0	52	0.0	-56.36	398.57	11.39	-44.97
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724401	1	52	0.0	-55.06	404.75	11.21	-43.85
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])N1	REAL300005724418	1	47	0.0	-61.90	403.03	9.51	-52.39
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=C1	REAL300005724694	0	52	0.0	-80.96	433.69	12.51	-68.45
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724785	0	46	0.0	-72.60	382.31	9.96	-62.64
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300005724789	0	52	0.0	-70.43	405.03	10.92	-59.51
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=CSC4=CC=CC=C34)C(=O)[O-])=CN21	REAL300005724792	0	44	0.0	-67.80	384.60	11.44	-56.36
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724831	0	55	0.0	-68.40	421.49	11.86	-56.54
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724831	1	55	0.0	-55.82	424.27	12.10	-43.72
CC[N@@H+]1CCCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724832	0	49	0.0	-65.88	382.07	10.47	-55.41
CC[N@H+]1CCCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724832	1	49	0.0	-67.35	388.14	10.65	-56.70
C[N@@H+]1CCCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724837	0	46	0.0	-56.69	364.27	10.19	-46.50
C[N@H+]1CCCC(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300005724837	1	46	0.0	-68.04	377.53	9.78	-58.26
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])O1	REAL300005724839	1	46	0.0	-81.26	396.24	9.95	-71.31
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005724847	0	48	0.0	-63.54	383.00	10.52	-53.02
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CC1=[NH+]C=C2CCC(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)CN21	REAL300005727701	1	44	0.0	-58.54	349.53	6.45	-52.09
O=C([O-])C1CCS(=O)(=NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300005727702	0	52	0.0	-65.32	399.66	8.51	-56.81
CC(C(=O)N=S1(=O)CCC(C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300005727783	1	47	0.0	-65.97	355.38	3.50	-62.47
C[NH+](C)CCOC1=CC=C(CCC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=C1	REAL300005727871	0	55	0.0	-73.86	437.62	8.55	-65.31
CC1(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005727883	0	55	0.0	-61.31	416.56	9.22	-52.09
C[NH+]1CCC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC1	REAL300005727917	0	42	0.0	-75.27	329.61	5.47	-69.80
O=C([O-])C1CCS(=O)(=NC(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300005727942	0	37	0.0	-71.67	316.44	7.44	-64.23
C[NH+](C)CC1(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CCCCC1	REAL300005727976	0	51	0.0	-58.10	357.98	8.08	-50.02
C[N@H+](CCC(=O)N=S1(=O)CCC(C(=O)[O-])CC1)C1CCCCC1	REAL300005727981	0	51	0.0	-62.43	381.97	7.40	-55.03
C[N@@H+](CCC(=O)N=S1(=O)CCC(C(=O)[O-])CC1)C1CCCCC1	REAL300005727981	1	51	0.0	-61.40	379.34	7.33	-54.07
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CC2(C1)CCOCC2	REAL300005731079	0	51	0.0	-49.75	376.52	7.02	-42.73
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CC(C)(C)C1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300005731219	0	53	0.0	-44.53	361.77	7.77	-36.76
CC(C)(C)C1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300005731219	1	53	0.0	-48.01	368.65	8.21	-39.80
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC23CCCSC3)C1	REAL300005731321	0	48	0.0	-44.79	341.80	9.31	-35.48
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC23CCCSC3)C1	REAL300005731321	1	48	0.0	-44.01	343.41	9.29	-34.72
CC1CCC(C(=O)[O-])CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005732413	0	53	0.0	-59.89	388.86	11.32	-48.57
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])CCC3C)CN12	REAL300005733701	1	45	0.0	-52.18	336.97	8.87	-43.31
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C(=O)[O-])CCC3C)CC2)=CS1	REAL300005733753	1	52	0.0	-56.44	392.72	9.03	-47.41
CC1CCC(C(=O)[O-])CN1C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005733815	0	56	0.0	-64.67	422.12	10.99	-53.68
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300005733821	0	56	0.0	-67.70	423.98	13.03	-54.67
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300005733821	1	56	0.0	-66.94	423.98	13.04	-53.90
CC1CCC(C(=O)[O-])CN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300005733889	0	52	0.0	-51.04	339.20	9.08	-41.96
CC1CCC(C(=O)[O-])CN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300005733891	0	52	0.0	-55.65	367.66	9.90	-45.75
CC1CCC(C(=O)[O-])CN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300005733891	1	52	0.0	-55.31	367.67	9.90	-45.41
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005733950	0	46	0.0	-64.51	357.76	8.53	-55.98
CC1CCC(C(=O)[O-])CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005733969	0	54	0.0	-60.52	380.37	8.41	-52.11
CC1CCC(C(=O)[O-])CN1C(=O)CCCC[NH+]1CCOCC1	REAL300005733993	1	50	0.0	-62.31	367.53	7.89	-54.42
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C)C=C1)C(C)C	REAL300005733994	0	55	0.0	-60.01	386.37	10.64	-49.37
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C)C=C1)C(C)C	REAL300005733994	1	55	0.0	-61.49	386.22	10.63	-50.86
CC1CCC(C(=O)[O-])CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005734011	0	50	0.0	-56.52	368.59	10.60	-45.92
CC1CCC(C(=O)[O-])CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005734011	1	50	0.0	-77.46	371.36	10.61	-66.85
CC1CCC(C(=O)[O-])CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005734012	0	51	0.0	-61.50	372.42	10.04	-51.46
CC1CCC(C(=O)[O-])CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005734034	0	54	0.0	-55.92	364.41	8.19	-47.73
CC(C(=O)N1CC(C(=O)[O-])CCC1C)[N@H+](C)CC1=CC=CC=C1	REAL300005734037	0	49	0.0	-49.93	359.40	10.12	-39.81
CC(C(=O)N1CC(C(=O)[O-])CCC1C)[N@@H+](C)CC1=CC=CC=C1	REAL300005734037	1	49	0.0	-49.34	357.87	10.13	-39.21
CC1CCC(C(=O)[O-])CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005734045	0	56	0.0	-56.52	401.33	12.28	-44.24
CC1CCC(C(=O)[O-])CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005734045	1	56	0.0	-56.34	412.24	12.22	-44.12
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300005734062	0	45	0.0	-59.78	342.97	7.49	-52.29
CCC[NH+](CCC)CCCC(=O)N1CC(C(=O)[O-])CCC1C	REAL300005734069	0	54	0.0	-57.12	384.78	10.22	-46.90
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005734087	0	50	0.0	-64.65	370.91	10.55	-54.10
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005734092	0	53	0.0	-62.96	387.93	11.26	-51.70
CCC(C(=O)N1CC(C(=O)[O-])CCC1C)[N@@H+]1CCOC(CC)C1	REAL300005734095	1	53	0.0	-49.04	364.64	8.21	-40.83
CCC(C(=O)N1CC(C(=O)[O-])CCC1C)[N@H+]1CCOC(CC)C1	REAL300005734095	1	53	0.0	-48.55	372.63	8.22	-40.33
CCN1CCC([NH+]2CCC(C(=O)N3CC(C(=O)[O-])CCC3C)CC2)CC1	REAL300005734098	0	61	0.0	-57.05	421.82	8.96	-48.09
CC1C[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C)C=C2)CC(C)O1	REAL300005734105	1	57	0.0	-67.40	420.97	10.28	-57.12
CC1CCC(C(=O)[O-])CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005734114	1	54	0.0	-62.33	395.44	10.69	-51.64
CC1CCC(C(=O)[O-])CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005734114	1	54	0.0	-62.45	401.51	10.71	-51.74
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C)C=NN1C1=CC=[NH+]C=C1	REAL300005734128	1	44	0.0	-71.01	344.02	7.78	-63.23
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005734131	0	53	0.0	-64.62	387.65	11.26	-53.36
CC1CCC(C(=O)[O-])CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005734142	1	46	0.0	-70.64	348.87	8.58	-62.06
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300005734143	0	49	0.0	-67.96	368.57	10.23	-57.73
CC1CCC(C(=O)[O-])CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005734147	1	51	0.0	-49.88	369.85	9.82	-40.06
CC1CCC(C(=O)[O-])CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005734147	1	51	0.0	-55.29	378.62	10.04	-45.25
CC(C(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005734156	0	59	0.0	-51.15	423.15	12.68	-38.47
CC(C(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCSCC1	REAL300005734178	1	44	0.0	-50.58	325.96	8.18	-42.40
CC1CCC(C(=O)[O-])CN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300005734185	0	49	0.0	-55.46	367.67	10.63	-44.83
CC1CCC(C(=O)[O-])CN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300005734185	1	49	0.0	-55.14	366.30	10.68	-44.46
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])CCC1C	REAL300005734186	0	53	0.0	-56.96	397.42	6.93	-50.03
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])CCC1C	REAL300005734186	1	53	0.0	-58.07	397.43	6.93	-51.14
CC1CCC(C(=O)[O-])CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005734193	0	58	0.0	-61.51	422.34	10.39	-51.12
CC1CCC(C(=O)[O-])CN1C(=O)C[N@H+](C)C1CCSC1	REAL300005734215	0	44	0.0	-54.96	328.09	8.46	-46.50
CC1CCC(C(=O)[O-])CN1C(=O)C[N@@H+](C)C1CCSC1	REAL300005734215	1	44	0.0	-55.03	328.11	8.48	-46.55
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300005734225	0	54	0.0	-57.84	383.14	7.51	-50.33
CC(C)N1CC[NH+](CCC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300005734225	1	54	0.0	-54.16	378.78	7.33	-46.83
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300005734226	0	57	0.0	-59.09	399.78	7.85	-51.24
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300005734226	1	57	0.0	-57.47	401.39	8.02	-49.45
CC1CCC(C(=O)[O-])CN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300005734228	0	46	0.0	-67.65	351.20	7.44	-60.21
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C(=O)[O-])CCC3C)CC2)=C1	REAL300005734231	0	58	0.0	-58.32	420.82	10.33	-47.99
CC1CCC(C(=O)[O-])CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005734233	0	55	0.0	-58.28	399.41	9.66	-48.62
CC1CCC(C(=O)[O-])CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005734236	0	52	0.0	-60.19	374.10	9.69	-50.50
CC1CCC(C(=O)[O-])CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005734236	1	52	0.0	-60.66	379.75	9.36	-51.30
CC(C(=O)N1CC(C(=O)[O-])CCC1C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005734241	0	50	0.0	-49.82	361.95	10.57	-39.25
CC(C(=O)N1CC(C(=O)[O-])CCC1C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005734241	1	50	0.0	-49.73	364.20	10.59	-39.14
CC(C(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300005734243	1	55	0.0	-54.34	402.00	9.40	-44.94
CC1CCC(C(=O)[O-])CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005734260	0	53	0.0	-59.05	389.21	11.44	-47.61
CC1CCC(C(=O)[O-])CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005734260	1	53	0.0	-61.39	394.53	11.53	-49.86
CC1CCC(C(=O)[O-])CN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300005734271	0	46	0.0	-65.05	350.33	8.04	-57.01
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300005734272	0	46	0.0	-61.15	344.41	7.38	-53.77
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C(=O)[O-])CCC1C	REAL300005734273	1	47	0.0	-50.06	354.00	9.46	-40.60
CC1CCC(C(=O)[O-])CN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300005734276	1	47	0.0	-67.77	351.66	7.54	-60.23
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CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300005738657	0	53	0.0	-71.53	399.59	9.63	-61.90
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O=C([O-])C[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300005738709	1	50	0.0	-55.53	373.75	10.59	-44.94
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C1N2	REAL300005738787	1	48	0.0	-76.08	373.21	9.19	-66.89
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C1N2	REAL300005738787	1	48	0.0	-75.42	373.41	9.16	-66.26
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)O1	REAL300005738825	0	46	0.0	-66.65	360.12	8.45	-58.20
CC1=CC=C(N2CCC(C(=O)N[C@@H](CC(=O)[O-])C3CC3)CC2)[NH+]=C1	REAL300005738827	1	49	0.0	-61.33	374.29	8.33	-53.00
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)CC1	REAL300005738830	0	55	0.0	-72.30	406.43	9.12	-63.18
O=C([O-])C[C@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CC1	REAL300005738837	1	38	0.0	-71.81	319.56	6.70	-65.11
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300005738861	0	50	0.0	-60.05	377.46	10.04	-50.01
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300005738861	1	50	0.0	-59.94	384.59	10.34	-49.60
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300005738876	0	51	0.0	-74.65	402.75	9.72	-64.93
O=C([O-])C[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CC1	REAL300005738888	0	47	0.0	-68.34	366.41	8.96	-59.38
C[N@@H+]1CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C(F)(F)F)C1	REAL300005739122	0	40	0.0	-68.00	303.74	7.57	-60.43
C[N@H+]1CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C(F)(F)F)C1	REAL300005739122	1	40	0.0	-68.83	315.19	6.65	-62.18
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300005739398	0	46	0.0	-72.66	360.91	9.57	-63.09
C[NH+](C)CCOC1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300005739401	0	47	0.0	-73.65	368.21	8.55	-65.10
O=C([O-])C[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300005739459	0	53	0.0	-63.93	399.99	11.20	-52.73
CC1C[N@H+](CC2=CC=C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)CCO1	REAL300005739461	1	51	0.0	-74.64	385.77	8.92	-65.72
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)CCO1	REAL300005739461	1	51	0.0	-74.81	385.81	8.92	-65.89
CC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC2CCC(C1)S2	REAL300005739575	0	48	0.0	-48.27	342.55	8.17	-40.10
CC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC2CCC(C1)S2	REAL300005739575	1	48	0.0	-48.77	323.52	7.96	-40.81
COCC1(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300005739685	0	54	0.0	-48.31	385.40	5.29	-43.02
COCC1(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300005739685	1	54	0.0	-52.23	390.94	5.28	-46.95
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CN(C2CC2)N=C1	REAL300005739798	0	47	0.0	-50.67	367.38	7.50	-43.17
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CN(C2CC2)N=C1	REAL300005739798	1	47	0.0	-51.46	368.57	7.53	-43.93
COCC1=NOC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005739882	0	43	0.0	-49.68	340.66	4.43	-45.25
COCC1=NOC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005739882	1	43	0.0	-51.99	346.87	4.45	-47.54
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C3CCOCC3=C2)C1	REAL300005739990	0	48	0.0	-49.93	370.42	7.51	-42.42
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C3CCOCC3=C2)C1	REAL300005739990	1	48	0.0	-47.93	364.21	7.49	-40.44
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740038	0	46	0.0	-76.41	361.42	8.85	-67.56
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740038	1	46	0.0	-76.11	361.12	8.81	-67.30
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300005740039	0	50	0.0	-83.37	393.13	9.11	-74.26
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300005740039	1	50	0.0	-83.39	393.37	9.07	-74.32
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300005740040	0	46	0.0	-85.55	361.16	8.80	-76.75
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300005740040	1	46	0.0	-85.58	361.12	8.79	-76.79
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300005740041	0	43	0.0	-69.49	355.72	8.00	-61.49
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300005740041	1	43	0.0	-69.35	355.65	7.95	-61.40
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=N2)C1	REAL300005740042	0	45	0.0	-64.08	359.54	7.11	-56.97
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=N2)C1	REAL300005740042	1	45	0.0	-64.13	359.24	7.07	-57.06
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC=C2SC(C)C(=O)[O-])C1	REAL300005740043	0	53	0.0	-83.63	414.79	10.58	-73.05
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC=C2SC(C)C(=O)[O-])C1	REAL300005740043	1	53	0.0	-81.83	414.23	10.53	-71.30
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(OCC(=O)[O-])C(OCC)=C2)C1	REAL300005740044	0	57	0.0	-81.53	443.49	9.79	-71.74
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(OCC(=O)[O-])C(OCC)=C2)C1	REAL300005740044	1	57	0.0	-81.17	443.19	9.76	-71.41
CCCC[N@@H+]1CCC(CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740045	0	52	0.0	-79.93	407.63	10.23	-69.70
CCCC[N@H+]1CCC(CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740045	1	52	0.0	-79.51	407.18	10.29	-69.22
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300005740046	0	45	0.0	-87.87	357.24	7.04	-80.83
CCCC[N@H+]1CCC(CNC(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300005740046	1	45	0.0	-87.91	357.21	7.03	-80.88
CCCC[N@@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740047	0	50	0.0	-79.46	395.86	9.97	-69.49
CCCC[N@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740047	1	50	0.0	-79.43	395.87	9.97	-69.46
CCCC[N@@H+]1CCC(CNC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740048	0	54	0.0	-78.38	440.16	5.23	-73.15
CCCC[N@H+]1CCC(CNC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740048	1	54	0.0	-78.18	439.86	5.18	-73.00
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005740049	0	48	0.0	-63.07	389.32	9.47	-53.60
CCCC[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005740049	1	48	0.0	-63.09	389.29	9.46	-53.63
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005740050	0	48	0.0	-63.07	389.32	9.47	-53.60
CCCC[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005740050	1	48	0.0	-63.09	389.29	9.46	-53.63
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)C1	REAL300005740051	0	56	0.0	-81.80	436.41	10.40	-71.40
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)C1	REAL300005740051	1	56	0.0	-81.49	436.11	10.36	-71.13
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300005740052	0	53	0.0	-77.81	418.58	9.90	-67.91
CCCC[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300005740052	1	53	0.0	-77.80	419.29	9.81	-67.99
CCCC[N@@H+]1CCC(CNC(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300005740053	0	52	0.0	-72.49	398.55	10.06	-62.43
CCCC[N@H+]1CCC(CNC(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300005740053	1	52	0.0	-72.90	398.55	10.02	-62.88
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C1	REAL300005740054	0	56	0.0	-78.50	436.52	10.67	-67.83
CCCC[N@H+]1CCC(CNC(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C1	REAL300005740054	1	56	0.0	-78.81	435.96	10.59	-68.22
CCCC[N@@H+]1CCC(CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300005740055	0	49	0.0	-84.48	386.10	9.51	-74.97
CCCC[N@H+]1CCC(CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300005740055	1	49	0.0	-84.16	385.80	9.46	-74.70
CCCC[N@@H+]1CCC(CNC(=O)C2CCCC(C(=O)[O-])C2)C1	REAL300005740056	0	52	0.0	-82.54	386.40	8.94	-73.60
CCCC[N@H+]1CCC(CNC(=O)C2CCCC(C(=O)[O-])C2)C1	REAL300005740056	1	52	0.0	-82.90	380.20	8.84	-74.06
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300005740057	0	45	0.0	-76.27	357.26	7.02	-69.25
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300005740057	1	45	0.0	-76.25	357.34	7.05	-69.20
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300005740058	0	45	0.0	-66.70	358.52	7.07	-59.63
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300005740058	1	45	0.0	-66.66	358.52	7.05	-59.61
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300005740059	0	46	0.0	-76.33	365.63	8.87	-67.46
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300005740059	1	46	0.0	-76.26	365.87	8.85	-67.41
CCCC[N@@H+]1CCC(CNC(=O)C2=CN=C(C(=O)[O-])C=N2)C1	REAL300005740060	0	44	0.0	-69.38	354.41	5.25	-64.13
CCCC[N@H+]1CCC(CNC(=O)C2=CN=C(C(=O)[O-])C=N2)C1	REAL300005740060	1	44	0.0	-69.63	353.85	5.18	-64.45
CCCC[N@@H+]1CCC(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300005740061	0	52	0.0	-75.05	386.89	9.06	-65.99
CCCC[N@H+]1CCC(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300005740061	1	52	0.0	-75.27	387.25	9.04	-66.23
CCCC[N@@H+]1CCC(CNC(=O)C2CCC(C(=O)[O-])CC2)C1	REAL300005740062	0	52	0.0	-78.56	379.84	8.81	-69.75
CCCC[N@H+]1CCC(CNC(=O)C2CCC(C(=O)[O-])CC2)C1	REAL300005740062	1	52	0.0	-75.34	387.25	9.04	-66.30
CCCC[N@@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740063	0	49	0.0	-86.33	386.10	9.52	-76.81
CCCC[N@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740063	1	49	0.0	-85.61	386.02	9.47	-76.14
CCCC[N@@H+]1CCC(CNC(=O)CN2C=C(C(=O)[O-])N=N2)C1	REAL300005740064	0	45	0.0	-87.96	363.27	5.50	-82.46
CCCC[N@H+]1CCC(CNC(=O)CN2C=C(C(=O)[O-])N=N2)C1	REAL300005740064	1	45	0.0	-88.48	362.68	5.43	-83.05
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C(C)=N2)C1	REAL300005740065	0	48	0.0	-67.00	375.10	7.62	-59.38
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C(C)=N2)C1	REAL300005740065	1	48	0.0	-66.76	374.81	7.59	-59.17
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300005740066	0	46	0.0	-78.87	382.72	9.45	-69.42
CCCC[N@H+]1CCC(CNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300005740066	1	46	0.0	-78.33	382.42	9.40	-68.93
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740067	0	46	0.0	-76.41	361.42	8.85	-67.56
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740067	1	46	0.0	-76.11	361.12	8.81	-67.30
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300005740068	0	49	0.0	-79.98	384.24	9.60	-70.38
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300005740068	1	49	0.0	-78.78	383.31	9.55	-69.23
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300005740069	0	56	0.0	-74.47	427.09	12.19	-62.28
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300005740069	1	56	0.0	-72.36	427.11	12.19	-60.17
CCCC[N@@H+]1CCC(CNC(=O)C2=C(CC(=O)[O-])OC=C2)C1	REAL300005740070	0	46	0.0	-78.12	364.37	7.72	-70.40
CCCC[N@H+]1CCC(CNC(=O)C2=C(CC(=O)[O-])OC=C2)C1	REAL300005740070	1	46	0.0	-77.04	363.58	7.73	-69.31
CCCC[N@@H+]1CCC(CNC(=O)C2=C(CC(=O)[O-])OC=C2C)C1	REAL300005740071	0	49	0.0	-60.07	390.73	8.38	-51.69
CCCC[N@H+]1CCC(CNC(=O)C2=C(CC(=O)[O-])OC=C2C)C1	REAL300005740071	1	49	0.0	-59.22	390.44	8.34	-50.88
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300005740072	0	45	0.0	-74.36	359.02	7.13	-67.23
CCCC[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300005740072	1	45	0.0	-73.93	358.73	7.08	-66.85
CCCC[N@@H+]1CCC(CNC(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300005740073	0	55	0.0	-80.97	406.23	9.77	-71.20
CCCC[N@H+]1CCC(CNC(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300005740073	1	55	0.0	-80.35	406.15	9.72	-70.63
CCCC[N@@H+]1CCC(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300005740074	0	53	0.0	-84.27	396.35	9.18	-75.09
CCCC[N@H+]1CCC(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300005740074	1	53	0.0	-83.43	395.09	9.17	-74.26
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CCCC[N@@H+]1CCC(CNC(=O)CN2C=C(C(=O)[O-])C=N2)C1	REAL300005740081	0	46	0.0	-84.05	368.17	6.99	-77.06
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CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300005740082	0	47	0.0	-68.31	381.46	8.38	-59.93
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300005740082	1	47	0.0	-68.35	380.42	8.36	-59.99
CCCC[N@@H+]1CCC(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300005740083	0	53	0.0	-60.88	397.92	9.59	-51.29
CCCC[N@H+]1CCC(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300005740083	1	53	0.0	-57.77	393.23	9.51	-48.26
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300005740084	0	50	0.0	-76.01	392.43	9.12	-66.89
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300005740084	1	50	0.0	-75.66	392.13	9.09	-66.57
CCCC[N@@H+]1CCC(CNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300005740085	0	55	0.0	-82.84	429.40	9.32	-73.52
CCCC[N@H+]1CCC(CNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300005740085	1	55	0.0	-85.14	429.82	9.41	-75.73
CCCC[N@@H+]1CCC(CNC(=O)CCSCC(=O)[O-])C1	REAL300005740086	0	46	0.0	-73.14	371.40	7.94	-65.20
CCCC[N@H+]1CCC(CNC(=O)CCSCC(=O)[O-])C1	REAL300005740086	1	46	0.0	-72.63	370.96	7.99	-64.64
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300005740087	0	45	0.0	-66.70	358.52	7.07	-59.63
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300005740087	1	45	0.0	-66.66	358.52	7.05	-59.61
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=NN2C)C1	REAL300005740088	0	46	0.0	-74.38	364.36	6.45	-67.93
CCCC[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=NN2C)C1	REAL300005740088	1	46	0.0	-74.41	363.30	6.47	-67.94
CCCC[N@@H+]1CCC(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1	REAL300005740089	0	50	0.0	-81.39	383.76	8.35	-73.04
CCCC[N@H+]1CCC(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1	REAL300005740089	1	50	0.0	-82.46	383.92	8.36	-74.10
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300005740090	0	49	0.0	-73.28	383.61	9.62	-63.66
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300005740090	1	49	0.0	-72.77	383.31	9.58	-63.19
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300005740091	0	50	0.0	-77.66	393.51	10.13	-67.53
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300005740091	1	50	0.0	-77.33	393.21	10.08	-67.25
CCCC[N@@H+]1CCC(CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300005740092	0	47	0.0	-75.93	380.41	8.22	-67.71
CCCC[N@H+]1CCC(CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300005740092	1	47	0.0	-76.63	381.09	8.28	-68.35
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300005740093	0	52	0.0	-80.67	396.13	10.34	-70.33
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300005740093	1	52	0.0	-80.25	396.10	10.33	-69.92
CCCC[N@@H+]1CCC(CNC(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300005740094	0	49	0.0	-84.72	394.21	4.59	-80.13
CCCC[N@H+]1CCC(CNC(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300005740094	1	49	0.0	-83.89	393.91	4.55	-79.34
CCCC[N@@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300005740095	0	47	0.0	-72.36	382.03	8.65	-63.71
CCCC[N@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300005740095	1	47	0.0	-72.33	382.07	8.64	-63.69
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300005740096	0	49	0.0	-85.57	377.41	9.38	-76.19
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300005740096	1	49	0.0	-85.52	377.45	9.37	-76.15
CCCC[N@@H+]1CCC(CNC(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300005740097	0	45	0.0	-78.17	356.59	7.05	-71.12
CCCC[N@H+]1CCC(CNC(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300005740097	1	45	0.0	-78.14	356.63	7.04	-71.10
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CN=C2C)C1	REAL300005740098	0	48	0.0	-63.67	372.88	7.69	-55.98
CCCC[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CN=C2C)C1	REAL300005740098	1	48	0.0	-63.55	372.57	7.65	-55.90
CCCC[N@@H+]1CCC(CNC(=O)CN2C=CC(C(=O)[O-])=N2)C1	REAL300005740099	0	46	0.0	-94.57	367.99	6.97	-87.60
CCCC[N@H+]1CCC(CNC(=O)CN2C=CC(C(=O)[O-])=N2)C1	REAL300005740099	1	46	0.0	-94.09	367.23	6.97	-87.12
CCCC[N@@H+]1CCC(CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300005740100	0	52	0.0	-93.19	410.81	8.34	-84.85
CCCC[N@H+]1CCC(CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300005740100	1	52	0.0	-93.87	411.05	8.33	-85.54
CCCC[N@@H+]1CCC(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300005740101	0	53	0.0	-83.48	405.37	8.72	-74.76
CCCC[N@H+]1CCC(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300005740101	1	53	0.0	-83.33	404.71	8.75	-74.58
CCCC[N@@H+]1CCC(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300005740102	0	53	0.0	-76.00	404.23	7.64	-68.36
CCCC[N@H+]1CCC(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300005740102	1	53	0.0	-76.08	404.19	7.59	-68.49
CCCC[N@@H+]1CCC(CNC(=O)C2=C(C)C=C(C(=O)[O-])O2)C1	REAL300005740103	0	46	0.0	-65.23	365.35	7.88	-57.35
CCCC[N@H+]1CCC(CNC(=O)C2=C(C)C=C(C(=O)[O-])O2)C1	REAL300005740103	1	46	0.0	-65.30	366.54	7.88	-57.42
CCCC[N@@H+]1CCC(CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300005740104	0	54	0.0	-53.94	384.89	10.18	-43.76
CCCC[N@H+]1CCC(CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300005740104	1	54	0.0	-58.74	391.08	10.09	-48.65
CCCC[N@@H+]1CCC(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300005740105	0	52	0.0	-76.67	374.73	9.55	-67.12
CCCC[N@H+]1CCC(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300005740105	1	52	0.0	-77.60	374.24	9.54	-68.06
CCCC[N@@H+]1CCC(CNC(=O)CN2CCCC(C(=O)[O-])C2)C1	REAL300005740106	1	54	0.0	-76.01	396.24	6.47	-69.54
CCCC[N@H+]1CCC(CNC(=O)CN2CCCC(C(=O)[O-])C2)C1	REAL300005740106	1	54	0.0	-72.89	400.54	6.84	-66.05
CCCC[N@@H+]1CCC(CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300005740107	0	53	0.0	-58.34	403.44	10.76	-47.58
CCCC[N@H+]1CCC(CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300005740107	1	53	0.0	-59.46	403.36	10.80	-48.66
CCCC[N@@H+]1CCC(CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300005740108	0	53	0.0	-83.41	413.58	9.54	-73.87
CCCC[N@H+]1CCC(CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300005740108	1	53	0.0	-82.39	413.50	9.50	-72.89
CCCC[N@@H+]1CCC(CNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300005740109	0	53	0.0	-95.11	419.45	10.97	-84.14
CCCC[N@H+]1CCC(CNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300005740109	1	53	0.0	-94.66	419.15	10.92	-83.74
CCCC[N@@H+]1CCC(CNC(=O)C2CC3(CC3C(=O)[O-])C2)C1	REAL300005740110	0	50	0.0	-72.85	384.23	9.20	-63.65
CCCC[N@H+]1CCC(CNC(=O)C2CC3(CC3C(=O)[O-])C2)C1	REAL300005740110	1	50	0.0	-76.56	381.94	9.10	-67.46
CCCC[N@@H+]1CCC(CNC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)C1	REAL300005740111	0	52	0.0	-80.83	393.19	9.60	-71.23
CCCC[N@H+]1CCC(CNC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)C1	REAL300005740111	1	52	0.0	-62.95	395.99	9.01	-53.94
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC=C2C)C1	REAL300005740112	0	49	0.0	-65.12	377.47	9.51	-55.61
CCCC[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC=C2C)C1	REAL300005740112	1	49	0.0	-65.21	378.31	9.47	-55.74
CCCC[N@@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300005740113	0	43	0.0	-82.86	348.91	8.78	-74.08
CCCC[N@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300005740113	1	43	0.0	-81.54	348.21	8.76	-72.78
CCCC[N@@H+]1CCC(CNC(=O)C2=CN=CC(C(=O)[O-])=C2C)C1	REAL300005740114	0	48	0.0	-76.09	367.59	7.58	-68.51
CCCC[N@H+]1CCC(CNC(=O)C2=CN=CC(C(=O)[O-])=C2C)C1	REAL300005740114	1	48	0.0	-75.67	366.76	7.57	-68.10
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2C)C1	REAL300005740115	0	49	0.0	-76.49	377.48	9.51	-66.98
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2C)C1	REAL300005740115	1	49	0.0	-76.19	377.15	9.47	-66.72
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300005740116	0	46	0.0	-74.80	373.59	9.30	-65.50
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300005740116	1	46	0.0	-74.81	373.83	9.28	-65.53
CCCC[N@@H+]1CCC(CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300005740117	0	53	0.0	-76.51	402.72	9.70	-66.81
CCCC[N@H+]1CCC(CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300005740117	1	53	0.0	-75.69	401.85	9.64	-66.05
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)C1	REAL300005740118	0	49	0.0	-62.28	389.27	6.43	-55.85
CCCC[N@H+]1CCC(CNC(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)C1	REAL300005740118	1	49	0.0	-62.27	388.97	6.38	-55.89
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])N2C)C1	REAL300005740119	0	47	0.0	-76.62	364.26	8.05	-68.57
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])N2C)C1	REAL300005740119	1	47	0.0	-76.22	363.98	8.02	-68.20
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300005740120	0	52	0.0	-75.40	405.01	10.42	-64.98
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300005740120	1	52	0.0	-74.97	404.71	10.38	-64.59
CCCC[N@@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])C(C)=NN2)C1	REAL300005740121	0	46	0.0	-78.87	357.44	6.63	-72.24
CCCC[N@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])C(C)=NN2)C1	REAL300005740121	1	46	0.0	-78.14	356.68	6.63	-71.51
CCCC[N@@H+]1CCC(CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300005740122	0	50	0.0	-75.01	395.48	9.34	-65.67
CCCC[N@H+]1CCC(CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300005740122	1	50	0.0	-83.25	396.00	9.28	-73.97
CCCC[N@@H+]1CCC(CNC(=O)C2=CSC(C(=O)[O-])=N2)C1	REAL300005740123	0	42	0.0	-61.80	351.10	5.99	-55.81
CCCC[N@H+]1CCC(CNC(=O)C2=CSC(C(=O)[O-])=N2)C1	REAL300005740123	1	42	0.0	-61.75	350.79	5.96	-55.79
CCCC[N@@H+]1CCC(CNC(=O)C2=C(C)SC(C(=O)[O-])=C2)C1	REAL300005740124	0	46	0.0	-66.29	370.82	8.58	-57.71
CCCC[N@H+]1CCC(CNC(=O)C2=C(C)SC(C(=O)[O-])=C2)C1	REAL300005740124	1	46	0.0	-66.08	370.38	8.65	-57.43
CCCC[N@@H+]1CCC(CNC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300005740125	0	46	0.0	-77.28	391.25	9.41	-67.87
CCCC[N@H+]1CCC(CNC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300005740125	1	46	0.0	-76.89	391.16	9.37	-67.52
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)C1	REAL300005740126	0	50	0.0	-79.19	399.14	8.52	-70.67
CCCC[N@H+]1CCC(CNC(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)C1	REAL300005740126	1	50	0.0	-78.63	398.83	8.48	-70.15
CCCC[N@@H+]1CCC(CNC(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)C1	REAL300005740127	0	49	0.0	-66.97	385.11	9.10	-57.87
CCCC[N@H+]1CCC(CNC(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)C1	REAL300005740127	1	49	0.0	-67.74	385.05	9.08	-58.66
CCCC[N@@H+]1CCC(CNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300005740128	0	49	0.0	-85.00	396.60	10.11	-74.89
CCCC[N@H+]1CCC(CNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300005740128	1	49	0.0	-84.29	396.52	10.07	-74.22
CCCC[N@@H+]1CCC(CNC(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300005740129	0	51	0.0	-77.92	395.07	8.30	-69.62
CCCC[N@H+]1CCC(CNC(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300005740129	1	51	0.0	-75.81	394.95	8.25	-67.56
CCCC[N@@H+]1CCC(CNC(=O)C23CC(C(=O)[O-])(C2)CO3)C1	REAL300005740130	0	48	0.0	-70.07	372.30	6.39	-63.68
CCCC[N@H+]1CCC(CNC(=O)C23CC(C(=O)[O-])(C2)CO3)C1	REAL300005740130	1	48	0.0	-70.34	370.85	6.31	-64.03
CCCC[N@@H+]1CCC(CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740131	0	50	0.0	-79.82	395.95	10.02	-69.80
CCCC[N@H+]1CCC(CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740131	1	50	0.0	-79.47	395.64	9.99	-69.48
CCCC[N@@H+]1CCC(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300005740132	0	53	0.0	-60.88	397.92	9.59	-51.29
CCCC[N@H+]1CCC(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300005740132	1	53	0.0	-57.77	393.23	9.51	-48.26
CCCC[N@@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])C=NN2C)C1	REAL300005740133	0	46	0.0	-74.48	367.40	6.25	-68.23
CCCC[N@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])C=NN2C)C1	REAL300005740133	1	46	0.0	-74.47	367.32	6.20	-68.27
CCCC[N@@H+]1CCC(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300005740134	0	47	0.0	-67.36	386.73	7.76	-59.60
CCCC[N@H+]1CCC(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300005740134	1	47	0.0	-67.19	386.29	7.81	-59.38
CCCC[N@@H+]1CCC(CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300005740135	0	47	0.0	-77.62	386.92	7.89	-69.73
CCCC[N@H+]1CCC(CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300005740135	1	47	0.0	-77.88	386.22	7.92	-69.96
CCCC[N@@H+]1CCC(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300005740136	0	47	0.0	-68.77	377.95	6.99	-61.78
CCCC[N@H+]1CCC(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300005740136	1	47	0.0	-68.72	377.65	6.95	-61.77
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=C2C)C1	REAL300005740137	0	49	0.0	-83.11	372.07	9.37	-73.74
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=C2C)C1	REAL300005740137	1	49	0.0	-82.36	371.30	9.37	-72.99
CCCC[N@@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300005740138	0	49	0.0	-80.91	391.45	8.21	-72.70
CCCC[N@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300005740138	1	49	0.0	-80.85	391.65	8.20	-72.65
CCCC[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300005740139	0	43	0.0	-81.02	354.65	7.84	-73.18
CCCC[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300005740139	1	43	0.0	-80.48	354.35	7.79	-72.69
CCCC[N@@H+]1CCC(CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300005740140	0	51	0.0	-69.69	382.10	7.00	-62.69
CCCC[N@H+]1CCC(CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300005740140	1	51	0.0	-71.57	381.66	7.17	-64.40
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300005740141	0	52	0.0	-82.97	397.43	10.91	-72.06
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300005740141	1	52	0.0	-82.59	397.13	10.88	-71.71
CCCC[N@@H+]1CCC(CNC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])C1	REAL300005740142	0	52	0.0	-78.01	389.59	8.92	-69.09
CCCC[N@H+]1CCC(CNC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])C1	REAL300005740142	1	52	0.0	-63.31	391.11	8.78	-54.53
CCCC[N@@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2C)C1	REAL300005740143	0	52	0.0	-87.71	402.79	9.99	-77.72
CCCC[N@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2C)C1	REAL300005740143	1	52	0.0	-87.53	402.91	9.99	-77.54
CCCC[N@@H+]1CCC(CNC(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300005740144	0	46	0.0	-83.52	377.78	8.56	-74.96
CCCC[N@H+]1CCC(CNC(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300005740144	1	46	0.0	-82.13	377.34	8.62	-73.51
CCCC[N@@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300005740145	0	49	0.0	-88.41	390.32	9.50	-78.91
CCCC[N@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300005740145	1	49	0.0	-88.42	390.34	9.50	-78.92
CCCC[N@@H+]1CCC(CNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300005740146	0	53	0.0	-70.14	410.91	10.34	-59.80
CCCC[N@H+]1CCC(CNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300005740146	1	53	0.0	-70.04	410.14	10.35	-59.69
CCCC[N@@H+]1CCC(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300005740147	0	56	0.0	-77.90	405.17	9.71	-68.19
CCCC[N@H+]1CCC(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300005740147	1	56	0.0	-78.12	405.85	9.71	-68.41
CN1C=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C(F)F)=N1	REAL300005740222	0	43	0.0	-51.30	346.93	5.98	-45.32
CN1C=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C(F)F)=N1	REAL300005740222	1	43	0.0	-50.52	353.10	6.01	-44.51
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740316	0	46	0.0	-74.31	355.01	8.46	-65.85
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740316	1	46	0.0	-74.02	354.62	8.37	-65.65
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300005740317	0	50	0.0	-81.05	385.92	8.68	-72.37
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300005740317	1	50	0.0	-81.84	385.25	8.63	-73.21
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300005740318	0	46	0.0	-84.18	354.15	8.32	-75.86
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300005740318	1	46	0.0	-85.00	354.17	8.36	-76.64
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300005740319	0	43	0.0	-67.27	348.40	7.49	-59.78
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300005740319	1	43	0.0	-67.09	349.39	7.58	-59.51
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=N2)C1	REAL300005740320	0	45	0.0	-60.85	348.30	6.53	-54.32
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=N2)C1	REAL300005740320	1	45	0.0	-61.63	353.20	6.68	-54.95
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC=C2SC(C)C(=O)[O-])C1	REAL300005740321	0	53	0.0	-82.31	403.78	10.04	-72.27
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC=C2SC(C)C(=O)[O-])C1	REAL300005740321	1	53	0.0	-81.19	408.20	10.17	-71.02
CCOC1=CC(C(=O)NCC2CC[N@@H+](C(C)CC)C2)=CC=C1OCC(=O)[O-]	REAL300005740322	0	57	0.0	-79.48	436.22	9.27	-70.21
CCOC1=CC(C(=O)NCC2CC[N@H+](C(C)CC)C2)=CC=C1OCC(=O)[O-]	REAL300005740322	1	57	0.0	-79.93	436.25	9.31	-70.62
CCC(C)[N@@H+]1CCC(CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740323	0	52	0.0	-77.88	401.08	9.95	-67.93
CCC(C)[N@H+]1CCC(CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740323	1	52	0.0	-78.10	401.82	9.87	-68.23
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300005740324	0	45	0.0	-86.42	350.23	6.57	-79.85
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300005740324	1	45	0.0	-87.16	350.26	6.60	-80.56
CCC(C)[N@@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740325	0	50	0.0	-77.81	389.53	9.64	-68.17
CCC(C)[N@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740325	1	50	0.0	-77.75	383.90	9.50	-68.25
CCC(C)[N@@H+]1CCC(CNC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740326	0	54	0.0	-76.49	433.74	4.84	-71.65
CCC(C)[N@H+]1CCC(CNC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740326	1	54	0.0	-76.21	434.47	4.76	-71.45
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005740327	0	48	0.0	-74.93	383.00	9.07	-65.86
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005740327	1	48	0.0	-60.96	382.34	9.03	-51.93
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005740328	0	48	0.0	-74.93	383.00	9.07	-65.86
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300005740328	1	48	0.0	-60.96	382.34	9.03	-51.93
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)C1	REAL300005740329	0	56	0.0	-79.76	430.02	10.01	-69.75
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)C1	REAL300005740329	1	56	0.0	-79.48	430.26	9.94	-69.54
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300005740330	0	53	0.0	-75.09	408.46	9.30	-65.79
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300005740330	1	53	0.0	-75.49	412.70	9.43	-66.06
CCC(C)[N@@H+]1CCC(CNC(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300005740331	0	52	0.0	-70.76	392.24	9.67	-61.09
CCC(C)[N@H+]1CCC(CNC(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300005740331	1	52	0.0	-70.92	392.73	9.59	-61.33
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C1	REAL300005740332	0	56	0.0	-76.32	425.28	10.09	-66.23
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C1	REAL300005740332	1	56	0.0	-76.13	430.18	10.24	-65.89
CCC(C)[N@@H+]1CCC(CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300005740333	0	49	0.0	-82.66	379.89	9.10	-73.56
CCC(C)[N@H+]1CCC(CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300005740333	1	49	0.0	-82.58	378.85	9.04	-73.54
CCC(C)[N@@H+]1CCC(CNC(=O)C2CCCC(C(=O)[O-])C2)C1	REAL300005740334	0	52	0.0	-81.26	380.11	8.63	-72.63
CCC(C)[N@H+]1CCC(CNC(=O)C2CCCC(C(=O)[O-])C2)C1	REAL300005740334	1	52	0.0	-80.49	380.14	8.61	-71.88
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300005740335	0	45	0.0	-74.55	349.87	6.48	-68.07
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300005740335	1	45	0.0	-74.39	350.05	6.59	-67.80
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300005740336	0	45	0.0	-64.93	351.40	6.53	-58.40
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300005740336	1	45	0.0	-64.47	352.50	6.68	-57.79
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300005740337	0	46	0.0	-74.62	359.74	8.50	-66.12
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300005740337	1	46	0.0	-74.29	359.61	8.49	-65.80
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CN=C(C(=O)[O-])C=N2)C1	REAL300005740338	0	44	0.0	-67.49	346.98	4.66	-62.83
CCC(C)[N@H+]1CCC(CNC(=O)C2=CN=C(C(=O)[O-])C=N2)C1	REAL300005740338	1	44	0.0	-67.01	348.07	4.82	-62.19
CCC(C)[N@@H+]1CCC(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300005740339	0	52	0.0	-73.54	380.77	8.67	-64.87
CCC(C)[N@H+]1CCC(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300005740339	1	52	0.0	-73.92	380.53	8.54	-65.38
CCC(C)[N@@H+]1CCC(CNC(=O)C2CCC(C(=O)[O-])CC2)C1	REAL300005740340	0	52	0.0	-73.55	380.37	8.54	-65.01
CCC(C)[N@H+]1CCC(CNC(=O)C2CCC(C(=O)[O-])CC2)C1	REAL300005740340	1	52	0.0	-74.10	373.37	8.46	-65.64
CCC(C)[N@@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740341	0	49	0.0	-83.93	379.78	9.10	-74.83
CCC(C)[N@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740341	1	49	0.0	-83.93	379.85	9.09	-74.84
CCC(C)[N@@H+]1CCC(CNC(=O)CN2C=C(C(=O)[O-])N=N2)C1	REAL300005740342	0	45	0.0	-86.46	352.00	4.91	-81.55
CCC(C)[N@H+]1CCC(CNC(=O)CN2C=C(C(=O)[O-])N=N2)C1	REAL300005740342	1	45	0.0	-85.54	356.91	5.07	-80.47
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C(C)=N2)C1	REAL300005740343	0	48	0.0	-64.86	367.28	7.08	-57.78
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C(C)=N2)C1	REAL300005740343	1	48	0.0	-64.66	368.31	7.17	-57.49
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300005740344	0	46	0.0	-76.76	375.52	8.91	-67.85
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300005740344	1	46	0.0	-77.45	375.46	8.96	-68.49
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740345	0	46	0.0	-74.31	355.01	8.46	-65.85
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740345	1	46	0.0	-74.02	354.62	8.37	-65.65
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300005740346	0	49	0.0	-77.78	377.03	9.17	-68.61
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CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300005740347	0	56	0.0	-73.11	416.16	11.66	-61.45
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CCC(C)[N@@H+]1CCC(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300005740361	0	53	0.0	-56.01	385.54	9.15	-46.86
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CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300005740362	0	50	0.0	-73.98	386.02	8.73	-65.25
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CCC(C)[N@H+]1CCC(CNC(=O)CCSCC(=O)[O-])C1	REAL300005740364	1	46	0.0	-71.32	365.59	7.57	-63.75
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300005740365	0	45	0.0	-64.93	351.40	6.53	-58.40
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300005740365	1	45	0.0	-64.47	352.50	6.68	-57.79
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=NN2C)C1	REAL300005740366	0	46	0.0	-71.74	352.26	5.93	-65.81
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=NN2C)C1	REAL300005740366	1	46	0.0	-72.10	357.17	6.09	-66.01
CCC(C)[N@@H+]1CCC(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1	REAL300005740367	0	50	0.0	-80.15	377.42	7.90	-72.25
CCC(C)[N@H+]1CCC(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1	REAL300005740367	1	50	0.0	-79.19	375.91	7.86	-71.33
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300005740368	0	49	0.0	-71.11	377.20	9.23	-61.88
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300005740368	1	49	0.0	-70.76	376.81	9.13	-61.63
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300005740369	0	50	0.0	-75.63	387.10	9.75	-65.88
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300005740369	1	50	0.0	-75.89	387.83	9.66	-66.23
CCC(C)[N@@H+]1CCC(CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300005740370	0	47	0.0	-74.62	374.60	7.86	-66.76
CCC(C)[N@H+]1CCC(CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300005740370	1	47	0.0	-73.72	368.87	7.76	-65.96
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300005740371	0	52	0.0	-79.33	390.06	9.94	-69.39
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300005740371	1	52	0.0	-78.54	390.20	9.94	-68.60
CCC(C)[N@@H+]1CCC(CNC(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300005740372	0	49	0.0	-82.57	387.80	4.20	-78.37
CCC(C)[N@H+]1CCC(CNC(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300005740372	1	49	0.0	-81.84	387.41	4.12	-77.72
CCC(C)[N@@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300005740373	0	47	0.0	-70.22	375.63	8.26	-61.96
CCC(C)[N@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300005740373	1	47	0.0	-69.60	370.40	8.12	-61.48
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300005740374	0	49	0.0	-83.52	369.78	8.84	-74.68
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300005740374	1	49	0.0	-84.45	370.25	8.90	-75.55
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300005740375	0	45	0.0	-76.13	350.00	6.62	-69.51
CCC(C)[N@H+]1CCC(CNC(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300005740375	1	45	0.0	-76.80	349.33	6.57	-70.23
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CN=C2C)C1	REAL300005740376	0	48	0.0	-60.53	361.55	7.19	-53.34
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CN=C2C)C1	REAL300005740376	1	48	0.0	-61.19	366.10	7.28	-53.91
CCC(C)[N@@H+]1CCC(CNC(=O)CN2C=CC(C(=O)[O-])=N2)C1	REAL300005740377	0	46	0.0	-93.24	356.29	6.42	-86.82
CCC(C)[N@H+]1CCC(CNC(=O)CN2C=CC(C(=O)[O-])=N2)C1	REAL300005740377	1	46	0.0	-92.44	361.17	6.58	-85.86
CCC(C)[N@@H+]1CCC(CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300005740378	0	52	0.0	-92.74	404.72	8.00	-84.74
CCC(C)[N@H+]1CCC(CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300005740378	1	52	0.0	-92.75	405.46	7.92	-84.83
CCC(C)[N@@H+]1CCC(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300005740379	0	53	0.0	-81.39	398.49	8.39	-73.00
CCC(C)[N@H+]1CCC(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300005740379	1	53	0.0	-80.84	397.98	8.35	-72.49
CCC(C)[N@@H+]1CCC(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300005740380	0	53	0.0	-73.95	397.74	7.27	-66.68
CCC(C)[N@H+]1CCC(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300005740380	1	53	0.0	-73.83	392.26	7.08	-66.75
CCC(C)[N@@H+]1CCC(CNC(=O)C2=C(C)C=C(C(=O)[O-])O2)C1	REAL300005740381	0	46	0.0	-62.87	359.07	7.49	-55.38
CCC(C)[N@H+]1CCC(CNC(=O)C2=C(C)C=C(C(=O)[O-])O2)C1	REAL300005740381	1	46	0.0	-62.82	359.33	7.49	-55.33
CCC(C)[N@@H+]1CCC(CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300005740382	0	54	0.0	-59.21	385.92	9.64	-49.57
CCC(C)[N@H+]1CCC(CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300005740382	1	54	0.0	-63.30	386.97	9.53	-53.77
CCC(C)[N@@H+]1CCC(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300005740383	0	52	0.0	-74.87	368.33	9.16	-65.71
CCC(C)[N@H+]1CCC(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300005740383	1	52	0.0	-73.70	366.98	9.11	-64.59
CCC(C)[N@@H+]1CCC(CNC(=O)CN2CCCC(C(=O)[O-])C2)C1	REAL300005740384	1	54	0.0	-71.68	393.84	6.41	-65.27
CCC(C)[N@H+]1CCC(CNC(=O)CN2CCCC(C(=O)[O-])C2)C1	REAL300005740384	1	54	0.0	-77.20	391.03	6.41	-70.79
CCC(C)[N@@H+]1CCC(CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300005740385	0	53	0.0	-56.65	397.29	10.46	-46.19
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CCC(C)[N@@H+]1CCC(CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300005740386	0	53	0.0	-82.02	402.34	8.96	-73.06
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CCC(C)[N@@H+]1CCC(CNC(=O)C2CC3(CC3C(=O)[O-])C2)C1	REAL300005740388	0	50	0.0	-71.93	376.75	8.62	-63.31
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CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CC=C2C)C1	REAL300005740390	0	49	0.0	-62.02	366.04	8.99	-53.03
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CCC(C)[N@@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300005740391	0	43	0.0	-81.27	337.20	8.24	-73.03
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CCC(C)[N@@H+]1CCC(CNC(=O)C2=CN=CC(C(=O)[O-])=C2C)C1	REAL300005740392	0	48	0.0	-74.25	360.40	7.18	-67.07
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CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300005740394	0	46	0.0	-73.15	367.70	8.93	-64.22
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300005740394	1	46	0.0	-72.84	367.57	8.91	-63.93
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CCC(C)[N@H+]1CCC(CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300005740395	1	53	0.0	-75.64	396.07	9.27	-66.37
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)C1	REAL300005740396	0	49	0.0	-59.98	381.89	5.91	-54.07
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)C1	REAL300005740396	1	49	0.0	-59.84	382.94	6.00	-53.84
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C(=O)[O-])N2C)C1	REAL300005740397	0	47	0.0	-74.61	356.31	7.51	-67.10
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CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300005740398	0	52	0.0	-73.28	398.60	10.04	-63.24
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300005740398	1	52	0.0	-72.93	398.21	9.94	-62.99
CCC(C)[N@@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])C(C)=NN2)C1	REAL300005740399	0	46	0.0	-76.69	349.63	6.14	-70.55
CCC(C)[N@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])C(C)=NN2)C1	REAL300005740399	1	46	0.0	-76.16	350.63	6.24	-69.92
CCC(C)[N@@H+]1CCC(CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300005740400	0	50	0.0	-80.71	388.73	8.93	-71.78
CCC(C)[N@H+]1CCC(CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300005740400	1	50	0.0	-65.15	389.61	8.89	-56.26
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CSC(C(=O)[O-])=N2)C1	REAL300005740401	0	42	0.0	-59.53	343.66	5.42	-54.11
CCC(C)[N@H+]1CCC(CNC(=O)C2=CSC(C(=O)[O-])=N2)C1	REAL300005740401	1	42	0.0	-59.34	344.76	5.57	-53.77
CCC(C)[N@@H+]1CCC(CNC(=O)C2=C(C)SC(C(=O)[O-])=C2)C1	REAL300005740402	0	46	0.0	-63.82	364.47	8.27	-55.55
CCC(C)[N@H+]1CCC(CNC(=O)C2=C(C)SC(C(=O)[O-])=C2)C1	REAL300005740402	1	46	0.0	-63.75	364.35	8.26	-55.49
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300005740403	0	46	0.0	-75.07	380.00	8.83	-66.24
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300005740403	1	46	0.0	-75.70	383.98	8.95	-66.75
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)C1	REAL300005740404	0	50	0.0	-77.80	391.70	7.95	-69.85
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)C1	REAL300005740404	1	50	0.0	-76.68	392.80	8.09	-68.59
CCC(C)[N@@H+]1CCC(CNC(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)C1	REAL300005740405	0	49	0.0	-67.99	382.97	8.86	-59.13
CCC(C)[N@H+]1CCC(CNC(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)C1	REAL300005740405	1	49	0.0	-64.98	373.95	8.60	-56.38
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300005740406	0	49	0.0	-82.83	390.39	9.71	-73.12
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300005740406	1	49	0.0	-82.37	390.26	9.70	-72.67
CCC(C)[N@@H+]1CCC(CNC(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300005740407	0	51	0.0	-73.20	388.03	7.92	-65.28
CCC(C)[N@H+]1CCC(CNC(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300005740407	1	51	0.0	-75.85	388.99	7.87	-67.98
CCC(C)[N@@H+]1CCC(CNC(=O)C23CC(C(=O)[O-])(C2)CO3)C1	REAL300005740408	0	48	0.0	-67.39	365.00	5.99	-61.40
CCC(C)[N@H+]1CCC(CNC(=O)C23CC(C(=O)[O-])(C2)CO3)C1	REAL300005740408	1	48	0.0	-67.45	365.16	5.97	-61.48
CCC(C)[N@@H+]1CCC(CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740409	0	50	0.0	-77.81	389.54	9.64	-68.17
CCC(C)[N@H+]1CCC(CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300005740409	1	50	0.0	-77.41	389.14	9.56	-67.85
CCC(C)[N@@H+]1CCC(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300005740410	0	53	0.0	-56.01	385.54	9.15	-46.86
CCC(C)[N@H+]1CCC(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300005740410	1	53	0.0	-55.45	386.64	9.08	-46.37
CCC(C)[N@@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])C=NN2C)C1	REAL300005740411	0	46	0.0	-71.93	361.51	5.88	-66.05
CCC(C)[N@H+]1CCC(CNC(=O)C2=C(C(=O)[O-])C=NN2C)C1	REAL300005740411	1	46	0.0	-72.27	361.46	5.86	-66.41
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300005740412	0	47	0.0	-65.02	379.35	7.30	-57.72
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300005740412	1	47	0.0	-64.86	380.26	7.41	-57.45
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300005740413	0	47	0.0	-75.55	380.58	7.58	-67.97
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300005740413	1	47	0.0	-75.33	380.45	7.56	-67.77
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300005740414	0	47	0.0	-66.70	370.70	6.45	-60.25
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300005740414	1	47	0.0	-66.55	371.61	6.56	-59.99
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=C2C)C1	REAL300005740415	0	49	0.0	-80.92	363.85	8.86	-72.06
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC(C(=O)[O-])=C2C)C1	REAL300005740415	1	49	0.0	-81.72	364.25	8.94	-72.78
CCC(C)[N@@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300005740416	0	49	0.0	-79.10	384.24	7.75	-71.35
CCC(C)[N@H+]1CCC(CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300005740416	1	49	0.0	-79.09	383.92	7.75	-71.34
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300005740417	0	43	0.0	-79.05	343.41	7.26	-71.79
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300005740417	1	43	0.0	-78.55	348.30	7.42	-71.13
CCC(C)[N@@H+]1CCC(CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300005740418	0	51	0.0	-68.71	374.87	7.07	-61.64
CCC(C)[N@H+]1CCC(CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300005740418	1	51	0.0	-70.01	374.37	6.65	-63.36
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300005740419	0	52	0.0	-80.90	386.16	10.35	-70.55
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300005740419	1	52	0.0	-80.75	390.81	10.49	-70.26
CCC(C)[N@@H+]1CCC(CNC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])C1	REAL300005740420	0	52	0.0	-62.68	383.17	8.30	-54.38
CCC(C)[N@H+]1CCC(CNC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])C1	REAL300005740420	1	52	0.0	-77.06	382.15	8.44	-68.62
CCC(C)[N@@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2C)C1	REAL300005740421	0	52	0.0	-85.94	396.39	9.60	-76.34
CCC(C)[N@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2C)C1	REAL300005740421	1	52	0.0	-86.22	397.04	9.54	-76.68
CCC(C)[N@@H+]1CCC(CNC(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300005740422	0	46	0.0	-81.59	366.40	8.07	-73.52
CCC(C)[N@H+]1CCC(CNC(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300005740422	1	46	0.0	-80.32	371.30	8.23	-72.09
CCC(C)[N@@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300005740423	0	49	0.0	-87.25	384.23	9.17	-78.08
CCC(C)[N@H+]1CCC(CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300005740423	1	49	0.0	-86.84	384.40	9.10	-77.74
CCC(C)[N@@H+]1CCC(CNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300005740424	0	53	0.0	-67.99	403.17	9.84	-58.15
CCC(C)[N@H+]1CCC(CNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300005740424	1	53	0.0	-67.78	404.13	9.96	-57.82
CCC(C)[N@@H+]1CCC(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300005740425	0	56	0.0	-75.59	398.47	9.28	-66.31
CCC(C)[N@H+]1CCC(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300005740425	1	56	0.0	-75.86	397.24	9.24	-66.62
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740426	0	42	0.0	-69.86	335.18	8.17	-61.69
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740426	1	42	0.0	-70.05	333.23	8.35	-61.70
O=C([O-])COC1=CC=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740427	0	46	0.0	-78.33	367.26	8.53	-69.80
O=C([O-])COC1=CC=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740427	1	46	0.0	-78.76	360.98	8.55	-70.21
O=C([O-])C1=CC=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740428	0	42	0.0	-81.14	336.18	8.26	-72.88
O=C([O-])C1=CC=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740428	1	42	0.0	-81.78	326.75	8.69	-73.09
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)S1	REAL300005740429	0	39	0.0	-60.71	330.45	7.45	-53.26
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)S1	REAL300005740429	1	39	0.0	-61.02	321.16	7.82	-53.20
O=C([O-])C1=CC=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=N1	REAL300005740430	0	41	0.0	-51.30	333.13	6.48	-44.82
O=C([O-])C1=CC=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=N1	REAL300005740430	1	41	0.0	-52.03	327.83	6.56	-45.47
CC(SC1=CC=CC=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300005740431	0	49	0.0	-75.72	389.88	10.04	-65.68
CC(SC1=CC=CC=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300005740431	1	49	0.0	-76.84	381.71	10.46	-66.38
CCOC1=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=CC=C1OCC(=O)[O-]	REAL300005740432	0	53	0.0	-75.70	418.25	9.22	-66.48
CCOC1=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=CC=C1OCC(=O)[O-]	REAL300005740432	1	53	0.0	-76.13	412.02	9.23	-66.90
O=C([O-])C1=CC=C(CCC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740433	0	48	0.0	-74.17	382.58	9.72	-64.45
O=C([O-])C1=CC=C(CCC(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740433	1	48	0.0	-74.27	379.30	9.83	-64.44
O=C([O-])C1=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=CC=N1	REAL300005740434	0	41	0.0	-83.52	332.27	6.50	-77.02
O=C([O-])C1=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=CC=N1	REAL300005740434	1	41	0.0	-84.11	326.04	6.52	-77.59
O=C([O-])C1=CC=C(C=CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740435	0	46	0.0	-74.44	369.70	9.35	-65.09
O=C([O-])C1=CC=C(C=CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740435	1	46	0.0	-74.55	364.99	9.42	-65.13
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740436	0	50	0.0	-73.12	415.24	4.61	-68.51
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740436	1	50	0.0	-72.91	406.38	4.58	-68.33
O=C([O-])C1=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=CC([N+](=O)[O-])=C1	REAL300005740437	0	44	0.0	-53.85	363.35	8.82	-45.03
O=C([O-])C1=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=CC([N+](=O)[O-])=C1	REAL300005740437	1	44	0.0	-71.70	358.70	8.90	-62.80
O=C([O-])C1=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=CC([N+](=O)[O-])=C1	REAL300005740438	0	44	0.0	-53.85	363.35	8.82	-45.03
O=C([O-])C1=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=CC([N+](=O)[O-])=C1	REAL300005740438	1	44	0.0	-71.70	358.70	8.90	-62.80
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740439	0	52	0.0	-77.20	409.73	9.69	-67.51
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740439	1	52	0.0	-77.51	404.76	9.85	-67.66
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740440	0	49	0.0	-67.95	392.14	9.32	-58.63
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740440	1	49	0.0	-68.79	385.71	9.46	-59.33
O=C([O-])C1=CC=CC=C1CCC(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740441	0	48	0.0	-64.71	372.30	9.38	-55.33
O=C([O-])C1=CC=CC=C1CCC(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740441	1	48	0.0	-66.16	365.70	9.41	-56.75
CC1=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=CC(C)=C1OCC(=O)[O-]	REAL300005740442	0	52	0.0	-72.97	410.28	9.99	-62.98
CC1=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=CC(C)=C1OCC(=O)[O-]	REAL300005740442	1	52	0.0	-73.38	407.71	9.94	-63.44
O=C([O-])C1=CC(CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=CC=C1	REAL300005740443	0	45	0.0	-80.48	359.86	8.83	-71.65
O=C([O-])C1=CC(CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)=CC=C1	REAL300005740443	1	45	0.0	-77.96	354.98	8.91	-69.05
O=C([O-])C1CCCC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C1	REAL300005740444	0	48	0.0	-79.02	353.46	8.20	-70.82
O=C([O-])C1CCCC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C1	REAL300005740444	1	48	0.0	-76.07	348.08	8.73	-67.34
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=N1	REAL300005740445	0	41	0.0	-68.87	332.04	6.50	-62.37
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=N1	REAL300005740445	1	41	0.0	-69.49	325.83	6.50	-62.99
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)N=C1	REAL300005740446	0	41	0.0	-58.02	333.59	6.53	-51.49
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)N=C1	REAL300005740446	1	41	0.0	-59.05	319.81	6.69	-52.36
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C(F)=C1	REAL300005740447	0	42	0.0	-70.64	341.14	8.31	-62.33
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C(F)=C1	REAL300005740447	1	42	0.0	-71.10	331.33	8.68	-62.42
O=C([O-])C1=CN=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=N1	REAL300005740448	0	40	0.0	-61.08	329.60	4.65	-56.43
O=C([O-])C1=CN=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=N1	REAL300005740448	1	40	0.0	-61.44	319.92	5.01	-56.43
O=C([O-])[C@H]1CC[C@H](C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300005740449	0	48	0.0	-68.70	359.81	8.42	-60.28
O=C([O-])[C@H]1CC[C@H](C(=O)NCC23CC(C2)C[N@H+]3C2CC2)CC1	REAL300005740449	1	48	0.0	-69.79	357.62	8.38	-61.41
O=C([O-])C1CCC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300005740450	0	48	0.0	-69.52	362.08	8.51	-61.01
O=C([O-])C1CCC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)CC1	REAL300005740450	1	48	0.0	-70.54	351.14	8.46	-62.08
O=C([O-])C1=CC=C(CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740451	0	45	0.0	-82.77	359.84	8.84	-73.93
O=C([O-])C1=CC=C(CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740451	1	45	0.0	-81.29	347.71	9.24	-72.05
O=C([O-])C1=CN(CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)N=N1	REAL300005740452	0	41	0.0	-83.94	337.79	4.92	-79.02
O=C([O-])C1=CN(CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)N=N1	REAL300005740452	1	41	0.0	-83.96	336.59	4.94	-79.02
CC1=NC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=CC=C1C(=O)[O-]	REAL300005740453	0	44	0.0	-58.52	350.29	7.02	-51.50
CC1=NC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=CC=C1C(=O)[O-]	REAL300005740453	1	44	0.0	-59.05	341.10	7.22	-51.83
O=C([O-])C1=CC(Br)=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740454	0	42	0.0	-73.08	357.45	8.88	-64.20
O=C([O-])C1=CC(Br)=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740454	1	42	0.0	-73.57	351.20	8.89	-64.68
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740455	0	42	0.0	-69.86	335.18	8.17	-61.69
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740455	1	42	0.0	-70.05	333.23	8.35	-61.70
O=C([O-])CC1=CC=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740456	0	45	0.0	-74.41	358.37	9.02	-65.39
O=C([O-])CC1=CC=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740456	1	45	0.0	-73.84	352.09	9.04	-64.80
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740457	0	52	0.0	-66.19	400.93	11.62	-54.57
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740457	1	52	0.0	-68.48	396.18	11.48	-57.00
O=C([O-])CC1=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=CO1	REAL300005740458	0	42	0.0	-71.66	337.48	7.11	-64.55
O=C([O-])CC1=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=CO1	REAL300005740458	1	42	0.0	-72.69	329.32	7.51	-65.18
CC1=COC(CC(=O)[O-])=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740459	0	45	0.0	-44.79	360.52	7.59	-37.20
CC1=COC(CC(=O)[O-])=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740459	1	45	0.0	-68.57	359.77	7.78	-60.79
O=C([O-])C1=CC=NC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740460	0	41	0.0	-67.12	332.61	6.49	-60.63
O=C([O-])C1=CC=NC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740460	1	41	0.0	-67.67	324.39	6.91	-60.76
O=C(CC1CCC(C(=O)[O-])CC1)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740461	0	51	0.0	-76.66	380.74	9.19	-67.47
O=C(CC1CCC(C(=O)[O-])CC1)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740461	1	51	0.0	-65.17	359.51	9.23	-55.94
O=C([O-])C12CCC(C(=O)NCC34CC(C3)C[N@@H+]4C3CC3)(CC1)C2	REAL300005740462	0	49	0.0	-79.66	361.61	8.67	-70.99
O=C([O-])C12CCC(C(=O)NCC34CC(C3)C[N@H+]4C3CC3)(CC1)C2	REAL300005740462	1	49	0.0	-79.49	366.68	8.46	-71.03
O=C([O-])C12CCC(C(=O)NCC34CC(C3)C[N@@H+]4C3CC3)(CC1)CC2	REAL300005740463	0	52	0.0	-72.15	378.75	9.06	-63.09
O=C([O-])C12CCC(C(=O)NCC34CC(C3)C[N@H+]4C3CC3)(CC1)CC2	REAL300005740463	1	52	0.0	-72.44	373.51	9.19	-63.25
O=C([O-])C1=C2N=CC=C(C(=O)NCC34CC(C3)C[N@@H+]4C3CC3)N2N=C1	REAL300005740464	0	44	0.0	-67.39	356.88	7.50	-59.89
O=C([O-])C1=C2N=CC=C(C(=O)NCC34CC(C3)C[N@H+]4C3CC3)N2N=C1	REAL300005740464	1	44	0.0	-67.72	348.68	7.92	-59.80
O=C([O-])CC1=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)NC2=CC=CC=C21	REAL300005740465	0	49	0.0	-76.96	388.77	8.95	-68.01
O=C([O-])CC1=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)NC2=CC=CC=C21	REAL300005740465	1	49	0.0	-78.12	378.87	9.34	-68.78
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC34CC(C3)C[N@@H+]4C3CC3)C2=C1	REAL300005740466	0	55	0.0	-65.61	407.12	11.23	-54.38
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC34CC(C3)C[N@H+]4C3CC3)C2=C1	REAL300005740466	1	55	0.0	-65.33	409.69	11.01	-54.32
CC1=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C(C(=O)[O-])O1	REAL300005740467	0	42	0.0	-59.77	338.14	7.35	-52.42
CC1=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C(C(=O)[O-])O1	REAL300005740467	1	42	0.0	-60.24	330.00	7.75	-52.49
CC1=C(C(=O)[O-])OC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740468	0	42	0.0	-54.52	339.53	7.13	-47.39
CC1=C(C(=O)[O-])OC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740468	1	42	0.0	-56.55	326.76	7.40	-49.15
O=C([O-])C1=CN(CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)N=C1	REAL300005740469	0	42	0.0	-79.46	342.66	6.41	-73.05
O=C([O-])C1=CN(CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)N=C1	REAL300005740469	1	42	0.0	-77.76	339.95	6.49	-71.27
O=C([O-])C=CC1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)O1	REAL300005740470	0	43	0.0	-58.48	354.57	7.79	-50.69
O=C([O-])C=CC1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)O1	REAL300005740470	1	43	0.0	-58.70	346.25	8.20	-50.50
O=C([O-])C1(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)CC2(CCC2)C1	REAL300005740471	0	49	0.0	-44.99	368.71	8.92	-36.07
O=C([O-])C1(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)CC2(CCC2)C1	REAL300005740471	1	49	0.0	-46.41	359.56	9.01	-37.40
O=C([O-])COC1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740472	0	46	0.0	-70.15	366.19	8.43	-61.72
O=C([O-])COC1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740472	1	46	0.0	-69.89	364.24	8.61	-61.28
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C1	REAL300005740473	0	51	0.0	-76.82	403.54	8.73	-68.09
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C1	REAL300005740473	1	51	0.0	-78.49	390.87	9.12	-69.37
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)N=C1	REAL300005740474	0	41	0.0	-58.02	333.59	6.53	-51.49
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)N=C1	REAL300005740474	1	41	0.0	-59.05	319.81	6.69	-52.36
CN1N=C(C(=O)[O-])C=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740475	0	42	0.0	-65.21	339.07	5.89	-59.32
CN1N=C(C(=O)[O-])C=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740475	1	42	0.0	-80.82	330.89	6.17	-74.65
C[C@@H]1C[C@H](C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)O[C@H]1C(=O)[O-]	REAL300005740476	0	46	0.0	-74.82	358.41	7.79	-67.03
C[C@@H]1C[C@H](C(=O)NCC23CC(C2)C[N@H+]3C2CC2)O[C@H]1C(=O)[O-]	REAL300005740476	1	46	0.0	-77.28	352.62	7.76	-69.52
O=C([O-])CC1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740477	0	45	0.0	-66.20	356.95	8.91	-57.29
O=C([O-])CC1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740477	1	45	0.0	-67.84	351.91	9.05	-58.79
O=C([O-])C=CC1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740478	0	46	0.0	-71.85	367.26	9.44	-62.41
O=C([O-])C=CC1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740478	1	46	0.0	-72.18	361.81	9.57	-62.61
O=C([O-])C1=COC(C=CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740479	0	43	0.0	-70.60	354.26	7.59	-63.01
O=C([O-])C1=COC(C=CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740479	1	43	0.0	-69.86	342.18	7.96	-61.90
O=C([O-])CCC1=CC=CC=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740480	0	48	0.0	-76.74	369.72	9.69	-67.05
O=C([O-])CCC1=CC=CC=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740480	1	48	0.0	-77.91	361.63	10.05	-67.86
O=C([O-])C1=C(COCC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)OC=N1	REAL300005740481	0	45	0.0	-77.78	369.29	3.97	-73.81
O=C([O-])C1=C(COCC(=O)NCC23CC(C2)C[N@H+]3C2CC2)OC=N1	REAL300005740481	1	45	0.0	-80.06	363.07	3.97	-76.09
O=C([O-])C1=CC=C(C=CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)O1	REAL300005740482	0	43	0.0	-64.17	355.79	7.97	-56.20
O=C([O-])C1=CC=C(C=CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)O1	REAL300005740482	1	43	0.0	-64.20	343.71	8.31	-55.89
CC1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1C(=O)[O-]	REAL300005740483	0	45	0.0	-82.25	356.23	8.89	-73.36
CC1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1C(=O)[O-]	REAL300005740483	1	45	0.0	-80.73	345.86	8.77	-71.96
O=C([O-])C1=CN=CC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740484	0	41	0.0	-72.30	331.34	6.46	-65.84
O=C([O-])C1=CN=CC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740484	1	41	0.0	-72.74	321.89	6.89	-65.85
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740485	0	44	0.0	-53.42	346.47	7.06	-46.36
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740485	1	44	0.0	-53.52	341.67	7.09	-46.43
O=C([O-])C1=NN(CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740486	0	42	0.0	-91.34	342.04	6.43	-84.91
O=C([O-])C1=NN(CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740486	1	42	0.0	-88.02	339.31	6.51	-81.51
O=C([O-])C1=NN(CCCC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740487	0	48	0.0	-90.98	384.87	7.70	-83.28
O=C([O-])C1=NN(CCCC(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740487	1	48	0.0	-88.23	382.93	7.88	-80.35
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)O1	REAL300005740488	0	49	0.0	-78.88	378.56	8.12	-70.76
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC23CC(C2)C[N@H+]3C2CC2)O1	REAL300005740488	1	49	0.0	-79.46	375.63	8.21	-71.25
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740489	0	49	0.0	-69.78	375.63	7.08	-62.70
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740489	1	49	0.0	-68.59	372.48	7.06	-61.53
CC1=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)OC(C(=O)[O-])=C1	REAL300005740490	0	42	0.0	-54.98	334.19	7.37	-47.61
CC1=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)OC(C(=O)[O-])=C1	REAL300005740490	1	42	0.0	-54.66	331.08	7.70	-46.96
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740491	0	50	0.0	-56.88	366.35	9.26	-47.62
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740491	1	50	0.0	-47.37	350.37	9.49	-37.88
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740492	0	48	0.0	-71.12	351.20	8.69	-62.43
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740492	1	48	0.0	-72.98	337.12	9.12	-63.86
O=C(CN1CCCC(C(=O)[O-])C1)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740493	1	50	0.0	-67.79	374.67	6.23	-61.56
O=C(CN1CCCC(C(=O)[O-])C1)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740493	1	50	0.0	-73.58	375.53	6.38	-67.20
O=C([O-])C1(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)CC1C1=CC=CC=C1	REAL300005740494	0	49	0.0	-47.25	378.16	10.30	-36.95
O=C([O-])C1(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)CC1C1=CC=CC=C1	REAL300005740494	1	49	0.0	-59.73	375.98	10.37	-49.36
O=C([O-])CC1=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)NC2=CC=CC=C21	REAL300005740495	0	49	0.0	-76.96	388.77	8.95	-68.01
O=C([O-])CC1=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)NC2=CC=CC=C21	REAL300005740495	1	49	0.0	-78.12	378.87	9.34	-68.78
O=C([O-])C1=CN(CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C2=CC=CC=C12	REAL300005740496	0	49	0.0	-91.96	393.21	10.28	-81.68
O=C([O-])C1=CN(CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)C2=CC=CC=C12	REAL300005740496	1	49	0.0	-88.85	391.26	10.47	-78.38
O=C([O-])C1CC12CC(C(=O)NCC13CC(C1)C[N@@H+]3C1CC1)C2	REAL300005740497	0	46	0.0	-65.07	358.70	8.62	-56.45
O=C([O-])C1CC12CC(C(=O)NCC13CC(C1)C[N@H+]3C1CC1)C2	REAL300005740497	1	46	0.0	-67.64	357.40	8.68	-58.96
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740498	0	48	0.0	-62.07	369.83	8.43	-53.64
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740498	1	48	0.0	-73.49	362.42	8.91	-64.58
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740499	0	45	0.0	-54.14	352.66	8.92	-45.22
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740499	1	45	0.0	-54.49	343.25	9.11	-45.38
O=C([O-])C1=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=CS1	REAL300005740500	0	39	0.0	-77.27	325.09	8.16	-69.11
O=C([O-])C1=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=CS1	REAL300005740500	1	39	0.0	-72.66	316.29	8.06	-64.60
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740501	0	44	0.0	-70.37	341.83	7.05	-63.32
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740501	1	44	0.0	-70.48	332.25	7.42	-63.06
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740502	0	45	0.0	-70.03	352.62	8.92	-61.11
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740502	1	45	0.0	-70.37	343.08	9.14	-61.23
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C(Cl)=C1	REAL300005740503	0	42	0.0	-69.07	349.10	8.74	-60.33
O=C([O-])C1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C(Cl)=C1	REAL300005740503	1	42	0.0	-69.54	339.31	9.12	-60.42
O=C([O-])C1CC2(C1)CC(C(=O)NCC13CC(C1)C[N@@H+]3C1CC1)C2	REAL300005740504	0	49	0.0	-70.26	375.37	9.00	-61.26
O=C([O-])C1CC2(C1)CC(C(=O)NCC13CC(C1)C[N@H+]3C1CC1)C2	REAL300005740504	1	49	0.0	-69.34	363.12	9.37	-59.97
COC1=CC(C(=O)[O-])=NC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740505	0	45	0.0	-49.65	362.86	5.80	-43.85
COC1=CC(C(=O)[O-])=NC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740505	1	45	0.0	-50.08	354.78	6.20	-43.88
CN1C(C(=O)[O-])=CC=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740506	0	43	0.0	-70.02	338.78	7.50	-62.52
CN1C(C(=O)[O-])=CC=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740506	1	43	0.0	-61.47	327.50	8.16	-53.31
O=C([O-])CCC1=CC=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740507	0	48	0.0	-69.54	378.35	9.71	-59.83
O=C([O-])CCC1=CC=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740507	1	48	0.0	-69.25	376.81	9.92	-59.33
CC1=NNC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1C(=O)[O-]	REAL300005740508	0	42	0.0	-72.23	332.17	6.06	-66.17
CC1=NNC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1C(=O)[O-]	REAL300005740508	1	42	0.0	-73.01	322.54	6.42	-66.59
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC13CC(C1)C[N@@H+]3C1CC1)C2	REAL300005740509	0	46	0.0	-69.62	370.59	8.73	-60.89
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC13CC(C1)C[N@H+]3C1CC1)C2	REAL300005740509	1	46	0.0	-76.66	361.38	8.67	-67.99
O=C([O-])C1=NC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=CS1	REAL300005740510	0	38	0.0	-50.26	326.28	5.39	-44.87
O=C([O-])C1=NC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=CS1	REAL300005740510	1	38	0.0	-50.21	316.51	5.77	-44.44
CC1=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C(C(=O)[O-])S1	REAL300005740511	0	42	0.0	-56.06	345.88	8.08	-47.98
CC1=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C(C(=O)[O-])S1	REAL300005740511	1	42	0.0	-56.26	336.13	8.44	-47.82
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCC13CC(C1)C[N@@H+]3C1CC1)=C2	REAL300005740512	0	42	0.0	-71.25	366.43	8.82	-62.43
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCC13CC(C1)C[N@H+]3C1CC1)=C2	REAL300005740512	1	42	0.0	-71.53	356.60	9.21	-62.32
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740513	0	46	0.0	-73.41	372.73	7.87	-65.54
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740513	1	46	0.0	-73.82	367.44	7.97	-65.85
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740514	0	45	0.0	-61.82	362.82	8.54	-53.28
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740514	1	45	0.0	-60.46	350.34	8.82	-51.64
O=C([O-])C1=C2C=C(C(=O)NCC34CC(C3)C[N@@H+]4C3CC3)SC2=CC=C1	REAL300005740515	0	45	0.0	-78.62	370.18	9.48	-69.14
O=C([O-])C1=C2C=C(C(=O)NCC34CC(C3)C[N@H+]4C3CC3)SC2=CC=C1	REAL300005740515	1	45	0.0	-79.24	362.11	9.87	-69.37
O=C([O-])C1=NC=CC=C1CCC(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740516	0	47	0.0	-70.66	368.77	7.62	-63.04
O=C([O-])C1=NC=CC=C1CCC(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740516	1	47	0.0	-68.07	363.45	7.74	-60.33
O=C([O-])C12CC(C(=O)NCC34CC(C3)C[N@@H+]4C3CC3)(C1)OC2	REAL300005740517	0	44	0.0	-62.10	345.04	5.75	-56.35
O=C([O-])C12CC(C(=O)NCC34CC(C3)C[N@H+]4C3CC3)(C1)OC2	REAL300005740517	1	44	0.0	-62.72	339.67	5.88	-56.84
O=C([O-])C1=CC=C(/C=C/C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300005740518	0	46	0.0	-74.51	370.70	9.44	-65.07
O=C([O-])C1=CC=C(/C=C/C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300005740518	1	46	0.0	-73.78	356.92	9.61	-64.17
O=C([O-])C1(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)CC2(CCC2)C1	REAL300005740519	0	49	0.0	-44.99	368.71	8.92	-36.07
O=C([O-])C1(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)CC2(CCC2)C1	REAL300005740519	1	49	0.0	-46.41	359.56	9.01	-37.40
CN1N=CC(C(=O)[O-])=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740520	0	42	0.0	-67.20	340.97	5.62	-61.58
CN1N=CC(C(=O)[O-])=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740520	1	42	0.0	-79.42	320.32	7.63	-71.79
O=C([O-])C1=CSC2=C1NC(C(=O)NCC13CC(C1)C[N@@H+]3C1CC1)=C2	REAL300005740521	0	43	0.0	-56.90	360.19	7.21	-49.69
O=C([O-])C1=CSC2=C1NC(C(=O)NCC13CC(C1)C[N@H+]3C1CC1)=C2	REAL300005740521	1	43	0.0	-57.20	351.96	7.63	-49.57
O=C([O-])C1=CC2=C(C=C(C(=O)NCC34CC(C3)C[N@@H+]4C3CC3)N2)S1	REAL300005740522	0	43	0.0	-71.31	360.37	7.35	-63.96
O=C([O-])C1=CC2=C(C=C(C(=O)NCC34CC(C3)C[N@H+]4C3CC3)N2)S1	REAL300005740522	1	43	0.0	-71.72	352.30	7.75	-63.97
O=C([O-])C1=COC2=C1NC(C(=O)NCC13CC(C1)C[N@@H+]3C1CC1)=C2	REAL300005740523	0	43	0.0	-59.16	351.54	6.35	-52.81
O=C([O-])C1=COC2=C1NC(C(=O)NCC13CC(C1)C[N@H+]3C1CC1)=C2	REAL300005740523	1	43	0.0	-59.44	343.47	6.75	-52.69
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740524	0	45	0.0	-78.37	345.17	8.76	-69.61
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740524	1	45	0.0	-78.61	340.37	8.79	-69.82
O=C([O-])C1=CC=C(C=CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=N1	REAL300005740525	0	45	0.0	-75.45	365.48	7.57	-67.88
O=C([O-])C1=CC=C(C=CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=N1	REAL300005740525	1	45	0.0	-75.57	360.96	7.65	-67.92
O=C([O-])C1=CSC(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740526	0	39	0.0	-74.65	329.84	7.24	-67.41
O=C([O-])C1=CSC(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740526	1	39	0.0	-75.07	322.93	7.30	-67.77
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740527	0	47	0.0	-64.47	354.90	6.41	-58.06
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740527	1	47	0.0	-51.96	345.72	6.24	-45.72
O=C([O-])C1=CC=CC2=C(C(=O)NCC34CC(C3)C[N@@H+]4C3CC3)C=CC=C12	REAL300005740528	0	48	0.0	-78.03	371.01	10.26	-67.77
O=C([O-])C1=CC=CC2=C(C(=O)NCC34CC(C3)C[N@H+]4C3CC3)C=CC=C12	REAL300005740528	1	48	0.0	-78.32	362.92	10.66	-67.66
CC(C)[C@]1(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C[C@H]1C(=O)[O-]	REAL300005740529	0	48	0.0	-53.58	356.41	8.28	-45.30
CC(C)[C@]1(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)C[C@H]1C(=O)[O-]	REAL300005740529	1	48	0.0	-58.43	358.14	8.19	-50.24
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300005740530	0	48	0.0	-84.45	377.31	9.40	-75.05
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC12CC(C1)C[N@H+]2C1CC1	REAL300005740530	1	48	0.0	-82.05	374.61	9.49	-72.56
O=C([O-])C1=CSC(CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300005740531	0	42	0.0	-78.00	352.16	8.08	-69.92
O=C([O-])C1=CSC(CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)=C1	REAL300005740531	1	42	0.0	-79.97	346.52	8.06	-71.91
O=C([O-])C1=CC=C(CC(=O)NCC23CC(C2)C[N@@H+]3C2CC2)C=C1F	REAL300005740532	0	45	0.0	-86.11	364.40	8.86	-77.25
O=C([O-])C1=CC=C(CC(=O)NCC23CC(C2)C[N@H+]3C2CC2)C=C1F	REAL300005740532	1	45	0.0	-83.70	356.87	8.90	-74.80
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC23CC(C2)C[N@@H+]3C2CC2)S1	REAL300005740533	0	49	0.0	-60.94	385.61	9.78	-51.16
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC23CC(C2)C[N@H+]3C2CC2)S1	REAL300005740533	1	49	0.0	-61.27	376.08	10.13	-51.14
O=C([O-])C12CCC(C(=O)NCC34CC(C3)C[N@@H+]4C3CC3)(CC1)CC2	REAL300005740534	0	52	0.0	-72.15	378.75	9.06	-63.09
O=C([O-])C12CCC(C(=O)NCC34CC(C3)C[N@H+]4C3CC3)(CC1)CC2	REAL300005740534	1	52	0.0	-72.44	373.51	9.19	-63.25
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005740610	0	54	0.0	-52.40	419.98	11.47	-40.93
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005740610	1	54	0.0	-54.71	413.50	11.45	-43.26
CCC1=CC=CC2=C1CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300005740728	0	50	0.0	-47.50	369.48	10.85	-36.65
CCC1=CC=CC2=C1CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300005740728	1	50	0.0	-48.60	369.50	10.87	-37.73
CCN(CCCOCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005740853	0	56	0.0	-48.13	427.09	11.12	-37.01
CCN(CCCOCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005740853	1	56	0.0	-49.57	425.65	11.27	-38.30
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)C2=CC=CC(Cl)=C2)C1	REAL300005741067	0	50	0.0	-44.76	408.85	13.39	-31.37
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)C2=CC=CC(Cl)=C2)C1	REAL300005741067	1	50	0.0	-42.79	403.25	13.36	-29.43
CC1=NN=C2C(C)N(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCN12	REAL300005741159	0	46	0.0	-62.22	343.81	8.40	-53.82
CC1=NN=C2C(C)N(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCN12	REAL300005741159	1	46	0.0	-56.89	341.23	8.07	-48.82
CC1C2=NC=CN2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005741222	0	44	0.0	-56.65	328.32	7.96	-48.69
CC1C2=NC=CN2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005741222	1	44	0.0	-51.72	325.22	7.58	-44.14
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1C1=CC=CC=C1	REAL300005741311	0	56	0.0	-46.67	415.22	11.86	-34.81
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1C1=CC=CC=C1	REAL300005741311	1	56	0.0	-49.21	422.15	12.90	-36.31
CC1=CC=C(Br)C=C1C1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005741401	0	47	0.0	-50.42	373.78	9.64	-40.78
CC1=CC=C(Br)C=C1C1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300005741401	1	47	0.0	-49.93	381.39	9.83	-40.10
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCCCC2C2=CC=CC=C2)C1	REAL300005741495	0	56	0.0	-47.32	388.01	12.93	-34.39
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCCCC2C2=CC=CC=C2)C1	REAL300005741495	1	56	0.0	-46.63	387.48	12.93	-33.70
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NNN=C3)C2)C1	REAL300005741706	0	43	0.0	-48.56	325.16	4.84	-43.72
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NNN=C3)C2)C1	REAL300005741706	1	43	0.0	-48.90	325.56	4.88	-44.02
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CNN=N3)C2)C1	REAL300005741706	1	43	0.0	-52.43	325.27	4.92	-47.51
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CNN=N3)C2)C1	REAL300005741706	1	43	0.0	-52.53	325.55	4.95	-47.58
CC12CC(C(O)CC1)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300005741772	0	48	0.0	-48.17	341.00	6.16	-42.01
CC12CC(C(O)CC1)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300005741772	1	48	0.0	-46.79	349.11	6.00	-40.79
O=C([O-])C1CCC[N@H+](CC(=O)N2CC34CCCC3(COC4)C2)C1	REAL300005741892	0	49	0.0	-48.97	353.46	7.23	-41.74
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC34CCCC3(COC4)C2)C1	REAL300005741892	1	49	0.0	-48.23	352.27	7.22	-41.01
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300005741989	0	49	0.0	-49.23	385.84	9.95	-39.28
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300005741989	1	49	0.0	-49.68	386.44	9.96	-39.72
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O=C([O-])CC1CC2(CCC2)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005754800	0	58	0.0	-75.27	397.26	9.20	-66.07
CCC(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[NH+](CC)CC	REAL300005754804	0	52	0.0	-57.35	359.63	10.25	-47.10
CC(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005754806	0	53	0.0	-53.37	384.53	12.30	-41.07
CC(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005754806	1	53	0.0	-52.10	383.81	12.33	-39.77
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CCC[NH+](CCC)CCCC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005754853	0	58	0.0	-75.63	418.64	11.32	-64.31
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CC[N@H+](C)C(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])C1=CC=CC=C1	REAL300005754855	0	53	0.0	-56.40	370.21	11.96	-44.44
CC[N@@H+](C)C(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])C1=CC=CC=C1	REAL300005754855	1	53	0.0	-58.61	384.27	12.01	-46.60
CC[NH+](CC)C(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])C1=CC=CC=C1	REAL300005754860	0	56	0.0	-69.27	401.52	11.60	-57.67
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005754867	1	48	0.0	-65.72	365.98	10.08	-55.64
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O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005754932	1	57	0.0	-64.63	406.80	12.93	-51.70
CC1=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005754934	1	48	0.0	-84.65	367.01	10.01	-74.64
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005754942	0	57	0.0	-94.12	410.44	13.01	-81.11
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005754955	1	50	0.0	-80.22	382.79	9.78	-70.44
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C=C1	REAL300005754956	0	53	0.0	-97.53	391.68	12.04	-85.49
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005754968	1	46	0.0	-65.73	347.34	8.86	-56.87
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005754969	1	55	0.0	-85.92	407.05	11.66	-74.26
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005754969	1	55	0.0	-86.85	411.78	11.21	-75.64
CC(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005754981	0	63	0.0	-60.57	453.47	14.73	-45.84
CC(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[NH+]1CCSCC1	REAL300005755027	1	48	0.0	-53.86	348.64	10.32	-43.54
C[N@H+](CC(=O)N1CC2(CCC2)CC1CC(=O)[O-])CC(C)(C)C	REAL300005755033	0	52	0.0	-70.29	367.79	9.76	-60.53
C[N@@H+](CC(=O)N1CC2(CCC2)CC1CC(=O)[O-])CC(C)(C)C	REAL300005755033	1	52	0.0	-70.25	372.97	9.97	-60.28
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755035	0	53	0.0	-74.01	401.72	11.90	-62.11
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755035	1	53	0.0	-73.01	399.36	11.77	-61.24
COCCOCC[N@H+](C)CCC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755036	0	57	0.0	-75.68	430.83	8.10	-67.58
COCCOCC[N@@H+](C)CCC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755036	1	57	0.0	-76.66	430.88	8.08	-68.58
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005755040	0	51	0.0	-68.12	361.16	7.47	-60.65
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005755040	1	51	0.0	-74.29	358.32	7.57	-66.72
O=C([O-])CC1CC2(CCC2)CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005755057	0	62	0.0	-80.94	454.88	11.56	-69.38
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300005755058	1	56	0.0	-56.70	405.06	11.77	-44.93
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300005755058	1	56	0.0	-69.79	402.10	11.12	-58.67
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300005755059	1	56	0.0	-61.85	409.65	11.58	-50.27
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300005755059	1	56	0.0	-72.03	409.28	11.60	-60.43
CCCCCC[N@H+](C)CC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755061	0	55	0.0	-72.12	405.86	11.20	-60.92
CCCCCC[N@@H+](C)CC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755061	1	55	0.0	-71.21	403.95	11.09	-60.12
O=C([O-])CC1CC2(CCC2)CN1C(=O)C12CCC[NH+]1CCC2	REAL300005755071	0	48	0.0	-63.38	335.63	9.86	-53.52
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005755079	1	42	0.0	-86.80	324.53	11.81	-74.99
C[N@H+](CC(=O)N1CC2(CCC2)CC1CC(=O)[O-])C1CCSC1	REAL300005755096	0	48	0.0	-75.19	360.07	9.63	-65.56
C[N@@H+](CC(=O)N1CC2(CCC2)CC1CC(=O)[O-])C1CCSC1	REAL300005755096	1	48	0.0	-73.98	359.86	9.64	-64.34
CC(C)[NH+]1CCN(CCC(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005755111	0	58	0.0	-76.75	417.93	8.67	-68.08
CC(C)N1CC[NH+](CCC(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005755111	1	58	0.0	-75.66	415.33	8.56	-67.10
CC(C)[NH+]1CCN(CCCC(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005755112	0	61	0.0	-73.72	434.46	9.06	-64.66
CC(C)N1CC[NH+](CCCC(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005755112	1	61	0.0	-76.54	433.93	9.19	-67.35
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300005755113	0	51	0.0	-63.47	349.14	10.08	-53.39
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300005755113	1	51	0.0	-54.83	362.64	11.20	-43.63
C[NH+](C)CCN1C=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C=N1	REAL300005755115	0	50	0.0	-86.94	377.61	9.70	-77.24
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4(CCC4)CC3CC(=O)[O-])CC2)=C1	REAL300005755123	0	62	0.0	-79.55	454.28	11.37	-68.18
O=C([O-])CC1CC2(CCC2)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005755125	0	59	0.0	-79.48	433.39	10.75	-68.73
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005755128	0	56	0.0	-67.36	404.56	12.07	-55.29
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005755128	1	56	0.0	-72.11	408.76	10.69	-61.42
CC(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005755133	1	54	0.0	-70.07	392.81	11.64	-58.43
CC(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005755133	1	54	0.0	-65.97	391.79	12.52	-53.45
CCC(CC)C(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[NH+]1CCOCC1	REAL300005755150	1	60	0.0	-63.87	403.60	9.93	-53.94
O=C([O-])CC1CC2(CCC2)CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005755157	0	57	0.0	-79.52	423.38	12.53	-66.99
O=C([O-])CC1CC2(CCC2)CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005755157	1	57	0.0	-80.96	426.05	12.65	-68.31
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=N1	REAL300005755173	0	50	0.0	-92.27	385.12	9.16	-83.11
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755174	0	50	0.0	-57.96	372.14	9.44	-48.52
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755180	1	51	0.0	-68.97	388.67	10.68	-58.29
CC[C@@H]1[C@@H](C(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC[N@@H+]1C	REAL300005755183	0	50	0.0	-74.99	354.27	10.24	-64.75
CC[C@@H]1[C@@H](C(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC[N@H+]1C	REAL300005755183	1	50	0.0	-76.02	359.04	9.18	-66.84
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=NN1	REAL300005755186	1	51	0.0	-83.00	383.39	8.58	-74.42
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=NN1	REAL300005755186	1	51	0.0	-83.20	385.03	8.74	-74.46
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755187	0	46	0.0	-66.56	346.01	9.09	-57.47
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755187	1	46	0.0	-69.57	351.89	9.56	-60.01
CC1C[N@H+](C)CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])O1	REAL300005755195	1	48	0.0	-88.68	350.02	7.99	-80.69
CC1C[N@@H+](C)CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])O1	REAL300005755195	1	48	0.0	-87.83	344.81	8.83	-79.00
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005755201	0	57	0.0	-76.47	419.78	12.60	-63.87
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005755201	1	57	0.0	-60.95	414.47	13.43	-47.52
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300005755202	1	53	0.0	-66.73	396.47	9.89	-56.84
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300005755202	1	53	0.0	-65.38	395.36	9.69	-55.69
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755207	1	51	0.0	-61.12	368.06	8.85	-52.27
O=C([O-])CC1CC2(CCC2)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005755208	0	58	0.0	-78.44	431.14	10.17	-68.27
CC1CC[NH+](CC(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005755218	0	50	0.0	-71.33	365.28	9.92	-61.41
CC[N@@H+]1CCOC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005755233	1	48	0.0	-86.00	349.51	9.08	-76.92
CC[N@H+]1CCOC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005755233	1	48	0.0	-87.30	348.24	8.73	-78.57
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005755273	0	57	0.0	-73.34	404.80	11.23	-62.11
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005755273	1	57	0.0	-76.59	405.94	11.19	-65.40
C[N@@H+]1CCCC1CCC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755280	0	50	0.0	-74.82	364.28	9.52	-65.30
C[N@H+]1CCCC1CCC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755280	1	50	0.0	-74.12	361.82	9.40	-64.72
O=C([O-])CC1CC2(CCC2)CN1C(=O)C12CCC[NH+](CCC1)C2	REAL300005755293	0	51	0.0	-74.22	343.65	10.01	-64.21
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755297	0	48	0.0	-81.61	335.72	5.95	-75.66
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755297	1	48	0.0	-56.34	338.16	5.45	-50.89
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300005755298	0	51	0.0	-65.88	363.26	10.08	-55.80
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300005755298	1	51	0.0	-65.41	364.53	10.13	-55.28
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755306	0	54	0.0	-72.37	373.18	8.93	-63.44
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C=N1	REAL300005755311	0	57	0.0	-51.79	394.74	9.67	-42.12
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C=N1	REAL300005755311	1	57	0.0	-69.21	398.27	9.94	-59.27
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])=C2)CC1	REAL300005755316	0	59	0.0	-80.05	427.86	10.63	-69.42
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])C=C2)CC1	REAL300005755317	0	59	0.0	-83.46	434.04	9.94	-73.52
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])C=C2)CC1	REAL300005755317	1	59	0.0	-94.89	427.26	10.51	-84.38
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C=C1	REAL300005755318	0	60	0.0	-93.82	430.30	12.14	-81.68
CC(C)[NH+]1CCC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005755326	0	53	0.0	-75.91	377.00	11.29	-64.62
O=C([O-])CC1CC2(CCC2)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300005755413	0	48	0.0	-76.81	330.71	9.15	-67.66
O=C([O-])CC1CC2(CCC2)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300005755413	1	48	0.0	-87.58	327.34	9.14	-78.44
CC1CCC(C)[NH+]1CC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755466	0	50	0.0	-59.80	355.05	10.24	-49.56
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=C1	REAL300005755467	0	50	0.0	-79.75	375.64	10.49	-69.26
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005755468	0	57	0.0	-63.69	408.64	13.34	-50.35
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005755468	1	57	0.0	-58.60	408.83	13.63	-44.97
C#CC[NH+]1CCC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005755538	0	49	0.0	-80.80	364.79	11.04	-69.76
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755540	0	53	0.0	-43.63	362.78	10.36	-33.27
CCC[N@H+]1CCCCC1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755540	1	53	0.0	-41.07	362.11	10.29	-30.78
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755541	0	50	0.0	-59.02	369.32	11.41	-47.61
CC[NH+]1CCN(CCC(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005755543	0	55	0.0	-78.92	399.52	7.97	-70.95
CCN1CC[NH+](CCC(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005755543	1	55	0.0	-75.56	398.69	8.03	-67.53
CC(C)C(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[NH+]1CCCCC1	REAL300005755545	0	56	0.0	-61.38	384.77	11.48	-49.90
C[NH+](C)C(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])C1=CC=CC=C1	REAL300005755546	1	50	0.0	-67.79	372.72	10.70	-57.09
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005755550	0	55	0.0	-69.32	404.60	9.78	-59.54
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005755550	1	55	0.0	-67.78	406.54	9.95	-57.83
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755556	1	51	0.0	-68.30	388.18	10.61	-57.69
C[NH+](C)CC1=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])OC2=CC=CC=C21	REAL300005755557	0	53	0.0	-59.78	402.72	11.19	-48.59
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005755563	0	54	0.0	-68.01	370.74	11.66	-56.35
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCC[N@H+]1C1CCCC1	REAL300005755563	1	54	0.0	-70.08	386.59	10.82	-59.26
O=C([O-])CC1CC2(CCC2)CN1C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300005755592	1	55	0.0	-57.36	408.52	13.30	-44.06
CC(C)C(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005755593	1	60	0.0	-66.92	413.04	9.25	-57.67
CC(C(=O)N1CC2(CCC2)CC1CC(=O)[O-])[NH+]1CCCCCC1	REAL300005755594	0	53	0.0	-65.94	370.49	9.78	-56.16
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])=CC=C1N2	REAL300005755632	1	55	0.0	-90.47	407.71	12.21	-78.26
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])=CC=C1N2	REAL300005755632	1	55	0.0	-83.26	410.52	10.90	-72.36
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])O1	REAL300005755688	0	53	0.0	-83.04	398.51	10.70	-72.34
O=C([O-])CC1CC2(CCC2)CN1C(=O)CCCC[NH+]1CCCC1	REAL300005755689	0	53	0.0	-77.40	390.30	10.62	-66.78
CC1=CC=C(N2CCC(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])CC2)[NH+]=C1	REAL300005755691	1	56	0.0	-81.14	409.91	11.22	-69.92
C[N@H+](CC(=O)N1CC2(CCC2)CC1CC(=O)[O-])CC1=CC=CC=C1	REAL300005755692	1	50	0.0	-75.60	379.24	11.05	-64.55
C[N@@H+](CC(=O)N1CC2(CCC2)CC1CC(=O)[O-])CC1=CC=CC=C1	REAL300005755692	1	50	0.0	-75.57	379.23	11.05	-64.52
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])C=C2)CC1	REAL300005755696	0	62	0.0	-93.50	437.18	11.57	-81.93
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005755715	1	45	0.0	-81.65	353.72	8.41	-73.24
C[NH+](C)CC1=CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=NO1	REAL300005755747	1	46	0.0	-80.88	356.69	8.51	-72.37
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755751	0	57	0.0	-83.65	425.05	12.36	-71.29
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755751	1	57	0.0	-75.66	422.22	12.52	-63.14
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755770	0	50	0.0	-61.97	347.16	10.60	-51.37
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005755770	1	50	0.0	-67.60	358.19	9.36	-58.24
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3(CCC3)CC2CC(=O)[O-])C=C1	REAL300005755777	0	58	0.0	-86.03	442.32	11.83	-74.20
C[NH+]1CCC(OCC(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005755798	0	51	0.0	-83.04	380.54	9.44	-73.60
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005755803	0	54	0.0	-83.91	405.51	11.07	-72.84
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC3(CCC3)CC2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005755848	0	56	0.0	-79.24	412.87	10.46	-68.78
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC3(CCC3)CC2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005755848	1	56	0.0	-72.52	407.76	10.33	-62.19
CCC[N@@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005756000	0	53	0.0	-69.46	379.48	11.49	-57.97
CCC[N@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005756000	1	53	0.0	-58.10	371.25	11.17	-46.93
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005756033	0	53	0.0	-63.22	382.75	11.72	-51.50
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005756033	1	53	0.0	-67.84	380.54	10.32	-57.52
O=C([O-])CC1CC2(CCC2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300005756034	0	51	0.0	-71.57	376.12	6.61	-64.96
O=C([O-])CC1CC2(CCC2)CN1C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005756136	0	58	0.0	-84.96	423.85	12.55	-72.41
O=C([O-])CC1CC2(CCC2)CN1C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005756136	1	58	0.0	-82.66	427.15	12.64	-70.02
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005756177	1	57	0.0	-62.35	409.40	12.72	-49.63
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005756177	1	57	0.0	-75.42	425.97	12.63	-62.79
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005756274	0	53	0.0	-57.15	365.78	11.09	-46.06
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005756274	1	53	0.0	-57.16	367.40	11.43	-45.73
C[N@@H+]1CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300005756275	0	47	0.0	-78.17	351.34	9.79	-68.38
C[N@H+]1CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300005756275	1	47	0.0	-86.95	349.49	9.54	-77.41
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CCC3)CC2CC(=O)[O-])N1	REAL300005756299	1	48	0.0	-68.97	370.82	8.70	-60.27
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=C1	REAL300005756804	0	53	0.0	-80.77	398.18	11.33	-69.44
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C=C1	REAL300005756812	0	54	0.0	-95.69	398.97	10.99	-84.70
O=C([O-])CC1CC2(CCC2)CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005756913	0	60	0.0	-77.45	442.43	13.41	-64.04
CC1CN(CC2=CC=C(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])C=C2)CCO1	REAL300005756915	0	58	0.0	-96.01	423.27	11.41	-84.60
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])C=C2)CCO1	REAL300005756915	1	58	0.0	-96.26	420.07	12.00	-84.26
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])C=C2)CCO1	REAL300005756915	1	58	0.0	-96.26	420.07	12.00	-84.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CCC3)CC2CC(=O)[O-])CC1	REAL300005756962	0	53	0.0	-64.23	365.42	10.60	-53.63
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])=CN21	REAL300005756966	0	45	0.0	-74.68	342.76	11.00	-63.68
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005757030	0	56	0.0	-64.26	392.11	11.21	-53.05
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005757030	1	56	0.0	-69.00	396.27	11.92	-57.08
CC[N@@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005757031	0	50	0.0	-56.11	350.14	10.67	-45.44
CC[N@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005757031	1	50	0.0	-64.34	354.47	9.63	-54.71
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])O1	REAL300005757037	1	47	0.0	-85.61	362.08	9.15	-76.46
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005757043	0	56	0.0	-81.49	378.06	10.82	-70.67
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C1	REAL300005757043	1	56	0.0	-82.73	369.50	10.29	-72.44
O=C([O-])CC1CC2(CCC2)CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005757046	0	49	0.0	-73.71	350.89	10.66	-63.05
O=C([O-])CC1CC2(CCC2)CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300005757046	1	49	0.0	-75.72	343.63	11.43	-64.29
C[C@@H]1CC2=C(Cl)C=CC=C2[C@@H]1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005757145	0	47	0.0	-49.39	370.16	9.93	-39.46
C[C@@H]1CC2=C(Cl)C=CC=C2[C@@H]1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005757145	1	47	0.0	-48.22	366.51	10.14	-38.08
C[C@@H]1CO[C@@H](C2=CC=CC=C2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005757253	0	51	0.0	-47.41	379.73	9.52	-37.89
C[C@@H]1CO[C@@H](C2=CC=CC=C2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005757253	1	51	0.0	-48.44	380.88	9.55	-38.89
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NOC(C3=CC4=CC=CC=C4C=C3)=C2)C1	REAL300005757360	0	52	0.0	-52.50	417.70	10.75	-41.75
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NOC(C3=CC4=CC=CC=C4C=C3)=C2)C1	REAL300005757360	1	52	0.0	-48.90	411.51	10.73	-38.17
O=C([O-])C1=CC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C(Cl)S1	REAL300005758433	0	47	0.0	-72.79	402.70	10.44	-62.35
O=C([O-])C1=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C(Cl)S1	REAL300005759003	0	44	0.0	-61.87	379.46	9.32	-52.55
O=C([O-])C1=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C(Cl)S1	REAL300005759003	1	44	0.0	-62.51	385.23	9.85	-52.66
O=C([O-])C1=CC(CNC(=O)C2CC[NH+](C3CC3)CC2)=C(Cl)S1	REAL300005759858	0	41	0.0	-65.66	351.04	8.08	-57.58
O=C([O-])C1=CC(CNC(=O)C2CCC[N@@H+]2C2CC2)=C(Cl)S1	REAL300005759884	0	38	0.0	-62.99	334.07	7.21	-55.78
O=C([O-])C1=CC(CNC(=O)C2CCC[N@H+]2C2CC2)=C(Cl)S1	REAL300005759884	1	38	0.0	-58.90	334.13	7.54	-51.36
CC1=[NH+]C=C2CCC(C(=O)NCC3=C(Cl)SC(C(=O)[O-])=C3)CN12	REAL300005759890	1	39	0.0	-60.66	349.24	7.95	-52.71
O=C([O-])C1=CC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C(Cl)S1	REAL300005759891	0	47	0.0	-62.30	405.94	10.40	-51.90
C[N@@H+]1CCCCC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005759970	0	37	0.0	-62.54	314.29	6.64	-55.90
C[N@H+]1CCCCC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005759970	1	37	0.0	-60.20	323.55	6.81	-53.39
CC(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300005759971	1	42	0.0	-67.40	354.89	5.05	-62.35
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760012	0	37	0.0	-61.73	323.59	6.81	-54.92
C[N@H+]1CCCC[C@H]1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760012	1	37	0.0	-63.24	314.26	6.63	-56.61
C[NH+]1CCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760096	0	37	0.0	-68.55	326.20	6.87	-61.68
O=C([O-])C1=CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)=C(Cl)S1	REAL300005760125	0	32	0.0	-67.44	311.79	8.71	-58.73
C[NH+](C)CC1(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CCCCC1	REAL300005760160	0	46	0.0	-68.71	364.65	8.75	-59.96
C[N@H+](CCC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1CCCCC1	REAL300005760165	0	46	0.0	-67.23	380.04	8.81	-58.42
C[N@@H+](CCC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1CCCCC1	REAL300005760165	1	46	0.0	-66.97	380.02	8.81	-58.16
C[N@@H+]1CCCC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760181	0	34	0.0	-61.10	307.33	6.17	-54.93
C[N@H+]1CCCC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760181	1	34	0.0	-61.66	307.96	6.28	-55.38
O=C([O-])C1=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=C(Cl)S1	REAL300005760186	1	44	0.0	-67.49	393.30	9.98	-57.51
O=C([O-])C1=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=C(Cl)S1	REAL300005760186	1	44	0.0	-66.64	390.76	9.84	-56.80
C[NH+]1CCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760236	0	37	0.0	-68.55	326.20	6.87	-61.68
O=C([O-])C1=CC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C(Cl)S1	REAL300005760240	0	40	0.0	-69.80	370.85	7.84	-61.96
O=C([O-])C1=CC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)=C(Cl)S1	REAL300005760260	0	47	0.0	-58.19	378.59	8.99	-49.20
O=C([O-])C1=CC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)=C(Cl)S1	REAL300005760260	1	47	0.0	-58.99	379.18	9.03	-49.96
O=C([O-])C1=CC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)=C(Cl)S1	REAL300005760261	0	48	0.0	-70.52	393.35	7.48	-63.04
CC1=[NH+]C=CN1CCCC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760296	1	38	0.0	-63.97	352.60	8.13	-55.84
O=C([O-])C1=CC(CNC(=O)CCCC[NH+]2CCOCC2)=C(Cl)S1	REAL300005760297	1	44	0.0	-70.91	379.89	6.81	-64.10
CC[N@H+](CC1=CC=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300005760300	0	49	0.0	-69.33	404.75	10.14	-59.19
CC[N@@H+](CC1=CC=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300005760300	1	49	0.0	-69.57	399.11	9.89	-59.68
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760303	0	34	0.0	-62.01	301.63	5.76	-56.25
C[N@H+]1CCC[C@@H]1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760303	1	34	0.0	-61.64	307.97	6.28	-55.36
C[NH+](C)C1(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760312	0	34	0.0	-63.36	310.41	6.46	-56.90
O=C([O-])C1=CC(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C(Cl)S1	REAL300005760358	0	44	0.0	-67.34	386.64	9.66	-57.68
O=C([O-])C1=CC(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C(Cl)S1	REAL300005760358	1	44	0.0	-67.75	386.63	9.72	-58.03
O=C([O-])C1=CC(CNC(=O)C2CC[NH+](C3CCSC3)CC2)=C(Cl)S1	REAL300005760359	0	45	0.0	-74.64	381.44	8.85	-65.79
O=C([O-])C1=CC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)=C(Cl)S1	REAL300005760383	0	48	0.0	-67.32	374.54	6.89	-60.43
CCC(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[NH+](CC)CC	REAL300005760387	0	42	0.0	-58.07	347.76	7.51	-50.56
CC(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300005760389	0	43	0.0	-63.25	376.76	9.21	-54.04
CC(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005760389	1	43	0.0	-64.10	376.40	9.19	-54.91
C[NH+](C)CC1=CC=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C=N1	REAL300005760422	0	39	0.0	-70.95	355.58	6.85	-64.10
CCC[NH+](CCC)CCCC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760428	0	48	0.0	-67.58	399.71	9.14	-58.44
CC[N@H+](C)C(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005760429	0	43	0.0	-58.96	375.05	9.34	-49.62
CC[N@@H+](C)C(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005760429	1	43	0.0	-59.39	374.14	9.36	-50.03
C[N@@H+]1CCOC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005760431	1	35	0.0	-70.95	319.02	5.67	-65.28
C[N@H+]1CCOC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005760431	1	35	0.0	-73.54	319.02	5.67	-67.87
CC[NH+](CC)C(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005760433	0	46	0.0	-62.33	381.84	9.39	-52.94
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760442	1	38	0.0	-59.98	347.26	7.94	-52.04
C[NH+](C)C(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1=CC=C(Cl)C=C1	REAL300005760447	1	40	0.0	-66.86	373.02	9.23	-57.63
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C(Cl)S1	REAL300005760460	0	44	0.0	-72.46	384.58	9.85	-62.61
O=C([O-])C1=CC(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C(Cl)S1	REAL300005760467	0	47	0.0	-69.79	401.33	10.55	-59.24
C[NH+](C)CC1(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760472	0	37	0.0	-67.13	334.06	6.97	-60.16
C[NH+](C)CCCCC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760481	0	39	0.0	-69.21	346.99	7.35	-61.86
CC(C)C(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[NH+](C)C	REAL300005760490	0	39	0.0	-61.35	325.24	6.66	-54.69
O=C([O-])C1=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=C(Cl)S1	REAL300005760503	0	47	0.0	-59.91	400.30	10.36	-49.55
O=C([O-])C1=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=C(Cl)S1	REAL300005760503	1	47	0.0	-61.46	390.83	10.21	-51.25
CC1=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C=NN1C1=CC=[NH+]C=C1	REAL300005760505	1	38	0.0	-75.45	357.40	7.10	-68.35
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C(Cl)S1	REAL300005760513	0	47	0.0	-72.91	401.02	10.51	-62.40
O=C([O-])C1=CC(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C(Cl)S1	REAL300005760527	1	40	0.0	-73.76	365.02	7.30	-66.46
C[NH+](C)CCC1=CC=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C=C1	REAL300005760528	0	43	0.0	-74.99	382.25	9.55	-65.44
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760539	1	36	0.0	-57.99	330.92	6.27	-51.72
O=C([O-])C1=CC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=C(Cl)S1	REAL300005760541	1	45	0.0	-70.45	388.58	9.08	-61.37
O=C([O-])C1=CC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=C(Cl)S1	REAL300005760541	1	45	0.0	-65.50	388.68	9.09	-56.41
CCC[N@H+](C)CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760550	0	36	0.0	-64.27	320.85	6.63	-57.64
CCC[N@@H+](C)CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760550	1	36	0.0	-64.42	320.84	6.62	-57.80
C[N@H+](CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1CCC1	REAL300005760573	0	37	0.0	-62.05	327.84	7.20	-54.85
C[N@@H+](CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1CCC1	REAL300005760573	1	37	0.0	-62.49	327.74	7.19	-55.30
C[N@H+](CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)CC(C)(C)C	REAL300005760604	0	42	0.0	-63.61	351.24	7.72	-55.89
C[N@@H+](CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)CC(C)(C)C	REAL300005760604	1	42	0.0	-63.80	351.24	7.72	-56.08
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760606	0	43	0.0	-68.36	380.75	9.66	-58.70
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760606	1	43	0.0	-68.17	380.75	9.66	-58.51
COCCOCC[N@H+](C)CCC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760607	0	47	0.0	-67.63	409.80	5.83	-61.80
COCCOCC[N@@H+](C)CCC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760607	1	47	0.0	-68.01	409.82	5.85	-62.16
CC[C@@H](C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[NH+](C)C	REAL300005760611	0	36	0.0	-63.78	315.86	6.81	-56.97
C[N@@H+]1CCCC(O)(CC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005760613	0	41	0.0	-65.49	349.06	5.67	-59.82
C[N@H+]1CCCC(O)(CC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005760613	1	41	0.0	-61.43	351.93	5.57	-55.86
CCCCCC[N@H+](C)CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760636	0	45	0.0	-65.39	385.34	8.98	-56.41
CCCCCC[N@@H+](C)CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760636	1	45	0.0	-65.56	385.36	8.98	-56.58
O=C([O-])C1=CC(CNC(=O)C23CCC[NH+]2CCC3)=C(Cl)S1	REAL300005760646	0	38	0.0	-60.66	326.22	7.20	-53.46
O=C([O-])C1=CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)=C(Cl)S1	REAL300005760654	1	32	0.0	-70.69	312.06	8.72	-61.97
C[N@H+](CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1CCSC1	REAL300005760667	0	38	0.0	-68.89	340.97	7.46	-61.43
C[N@@H+](CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1CCSC1	REAL300005760667	1	38	0.0	-69.67	340.97	7.44	-62.23
CC(C)[NH+]1CCN(CCC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760683	0	48	0.0	-65.73	396.96	6.39	-59.34
CC(C)N1CC[NH+](CCC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760683	1	48	0.0	-67.14	393.48	6.19	-60.95
CC(C)[NH+]1CCN(CCCC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760684	0	51	0.0	-66.02	418.48	7.20	-58.82
CC(C)N1CC[NH+](CCCC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760684	1	51	0.0	-68.02	414.78	6.99	-61.03
O=C([O-])C1=CC(CNC(=O)C2CCCC3CCC[N@@H+]32)=C(Cl)S1	REAL300005760685	0	41	0.0	-57.53	346.20	8.05	-49.48
O=C([O-])C1=CC(CNC(=O)C2CCCC3CCC[N@H+]32)=C(Cl)S1	REAL300005760685	1	41	0.0	-61.10	338.32	7.78	-53.32
C[NH+](C)CCN1C=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C=N1	REAL300005760687	0	40	0.0	-74.87	365.94	6.71	-68.16
O=C([O-])C1=CC(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=C(Cl)S1	REAL300005760698	0	46	0.0	-70.44	397.61	8.63	-61.81
O=C([O-])C1=CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C(Cl)S1	REAL300005760698	1	46	0.0	-66.60	391.34	8.75	-57.85
CC(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005760703	1	44	0.0	-64.30	376.66	9.78	-54.52
CC(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005760703	1	44	0.0	-63.30	380.01	9.59	-53.71
CCCC(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[NH+](C)C	REAL300005760722	0	39	0.0	-64.75	336.88	7.60	-57.15
O=C([O-])C1=CC(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C(Cl)S1	REAL300005760723	0	47	0.0	-70.98	406.66	10.44	-60.54
O=C([O-])C1=CC(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C(Cl)S1	REAL300005760723	1	47	0.0	-70.49	404.57	10.37	-60.12
C[NH+](C)CCN1C=CC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)=N1	REAL300005760738	0	40	0.0	-75.26	366.31	6.71	-68.55
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760739	0	40	0.0	-63.51	361.39	6.69	-56.82
C[C@@H]1[C@H](C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300005760743	0	37	0.0	-67.95	319.20	6.42	-61.53
C[C@@H]1[C@H](C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC[N@H+]1C	REAL300005760743	1	37	0.0	-68.10	324.46	6.46	-61.64
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760745	1	41	0.0	-60.61	367.57	8.42	-52.19
CC[C@@H]1[C@@H](C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300005760748	0	40	0.0	-67.59	338.58	6.91	-60.68
CC[C@@H]1[C@@H](C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC[N@H+]1C	REAL300005760748	1	40	0.0	-67.07	343.51	7.26	-59.81
CC1C[N@H+](C)CC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)O1	REAL300005760757	1	38	0.0	-72.86	333.46	6.38	-66.48
CC1C[N@@H+](C)CC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)O1	REAL300005760757	1	38	0.0	-69.88	333.49	6.38	-63.50
O=C([O-])C1=CC(CNC(=O)C[NH+]2CCCC2)=C(Cl)S1	REAL300005760766	0	34	0.0	-63.46	307.11	6.35	-57.11
CC1=[NH+]C=CN1CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760768	1	32	0.0	-61.16	311.05	6.83	-54.33
CC(C[NH+]1CCOCC1)C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760770	0	41	0.0	-67.36	352.93	5.94	-61.42
CC1CC[NH+](CC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760787	0	40	0.0	-64.16	344.57	7.71	-56.45
CC[N@@H+]1CCOC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005760798	1	38	0.0	-68.85	336.79	6.31	-62.54
CC[N@H+]1CCOC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005760798	1	38	0.0	-71.53	336.80	6.32	-65.21
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760835	1	47	0.0	-73.49	403.41	8.77	-64.72
O=C([O-])C1=CC(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)=C(Cl)S1	REAL300005760836	0	47	0.0	-66.02	387.48	9.18	-56.84
O=C([O-])C1=CC(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)=C(Cl)S1	REAL300005760836	1	47	0.0	-65.21	387.24	9.14	-56.07
C[N@@H+]1CCCC1CCC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760842	0	40	0.0	-68.10	349.02	7.71	-60.39
C[N@H+]1CCCC1CCC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760842	1	40	0.0	-66.35	343.56	7.24	-59.11
O=C([O-])C1=CC(CNC(=O)C23CCC[NH+](CCC2)C3)=C(Cl)S1	REAL300005760855	0	41	0.0	-67.56	339.02	7.42	-60.14
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760857	0	38	0.0	-63.49	330.90	3.34	-60.15
C[N@H+]1CC(O)CC1(C)C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760857	1	38	0.0	-67.71	328.70	3.57	-64.14
O=C([O-])C1=CC(CNC(=O)C2CCC3CCCC[N@@H+]32)=C(Cl)S1	REAL300005760858	0	41	0.0	-58.72	349.56	8.17	-50.55
O=C([O-])C1=CC(CNC(=O)C2CCC3CCCC[N@H+]32)=C(Cl)S1	REAL300005760858	1	41	0.0	-58.78	349.48	8.16	-50.62
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760865	0	44	0.0	-62.70	362.44	6.29	-56.41
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C=N1	REAL300005760870	0	47	0.0	-69.70	387.46	7.27	-62.43
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C=N1	REAL300005760870	1	47	0.0	-76.79	405.62	8.03	-68.76
CC[NH+](CC)CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005760882	0	36	0.0	-62.34	317.73	6.58	-55.76
CC(C)[NH+]1CCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005760884	0	43	0.0	-65.62	356.87	7.83	-57.79
O=C([O-])C1=CC(CNC(=O)C23CC[NH+](CC2)C3)=C(Cl)S1	REAL300005760964	0	35	0.0	-67.55	313.26	5.73	-61.82
CCC(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[NH+](C)C	REAL300005760967	0	36	0.0	-62.18	311.87	6.24	-55.94
O=C([O-])C1=CC(CNC(=O)C23CC[N@H+](C2)CCC3)=C(Cl)S1	REAL300005760975	0	38	0.0	-69.95	323.56	6.44	-63.51
O=C([O-])C1=CC(CNC(=O)C23CC[N@@H+](C2)CCC3)=C(Cl)S1	REAL300005760975	1	38	0.0	-67.70	323.30	6.44	-61.26
CC1CCC(C)[NH+]1CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761021	0	40	0.0	-60.79	338.76	7.24	-53.55
C[NH+](C)CC1=CC=CC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)=C1	REAL300005761022	0	40	0.0	-70.49	359.79	8.71	-61.78
O=C([O-])C1=CC(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=C(Cl)S1	REAL300005761023	0	47	0.0	-64.29	396.51	10.60	-53.69
O=C([O-])C1=CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=C(Cl)S1	REAL300005761023	1	47	0.0	-66.45	402.73	10.40	-56.05
C[NH+](C)C1(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CCC1	REAL300005761061	0	37	0.0	-63.39	318.95	6.54	-56.85
C#CC[NH+]1CCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005761091	0	39	0.0	-69.81	350.87	8.02	-61.79
CCC[N@@H+]1CCCCC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761093	0	43	0.0	-61.39	353.48	8.04	-53.35
CCC[N@H+]1CCCCC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761093	1	43	0.0	-59.41	362.90	8.20	-51.21
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761094	0	40	0.0	-57.90	352.50	8.93	-48.97
CC[NH+]1CCN(CCC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005761096	0	45	0.0	-67.37	379.72	5.84	-61.53
CCN1CC[NH+](CCC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005761096	1	45	0.0	-67.21	380.24	5.87	-61.34
CC(C)[N@H+](C)CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761097	0	36	0.0	-61.85	316.03	6.41	-55.44
CC(C)[N@@H+](C)CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761097	1	36	0.0	-62.06	316.05	6.42	-55.64
CC(C)C(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[NH+]1CCCCC1	REAL300005761098	0	46	0.0	-61.15	370.97	9.32	-51.83
C[NH+](C)C(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005761099	1	40	0.0	-60.83	356.36	8.71	-52.12
O=C([O-])C1=CC(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=C(Cl)S1	REAL300005761103	0	45	0.0	-65.96	394.63	6.65	-59.31
O=C([O-])C1=CC(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=C(Cl)S1	REAL300005761103	1	45	0.0	-65.81	394.89	6.62	-59.19
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761108	1	41	0.0	-60.66	367.03	8.37	-52.29
C[NH+](C)CC1=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)OC2=CC=CC=C21	REAL300005761110	0	43	0.0	-64.44	386.93	9.05	-55.39
O=C([O-])C1=CC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)=C(Cl)S1	REAL300005761116	0	44	0.0	-63.20	355.78	8.47	-54.73
O=C([O-])C1=CC(CNC(=O)C2CCC[N@H+]2C2CCCC2)=C(Cl)S1	REAL300005761116	1	44	0.0	-61.67	358.98	8.61	-53.06
CC[N@H+](CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1CC1	REAL300005761118	0	37	0.0	-61.67	327.98	7.20	-54.47
CC[N@@H+](CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)C1CC1	REAL300005761118	1	37	0.0	-61.58	327.99	7.20	-54.38
CC(C)C(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[NH+]1CC(C)OC(C)C1	REAL300005761146	1	50	0.0	-61.34	397.43	8.37	-52.97
CC(C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[NH+]1CCCCCC1	REAL300005761147	0	43	0.0	-61.06	352.71	8.00	-53.06
C[N@@H+]1CCC[C@H]1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761151	0	34	0.0	-61.10	307.33	6.17	-54.93
C[N@H+]1CCC[C@H]1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761151	1	34	0.0	-63.99	301.59	5.76	-58.23
CC(C)(C)[NH2+]CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761236	0	36	0.0	-63.38	320.58	4.95	-58.43
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)O1	REAL300005761238	0	43	0.0	-67.57	381.97	8.38	-59.19
O=C([O-])C1=CC(CNC(=O)CCCC[NH+]2CCCC2)=C(Cl)S1	REAL300005761239	0	43	0.0	-67.69	372.94	8.53	-59.16
CC1=CC=C(N2CCC(C(=O)NCC3=C(Cl)SC(C(=O)[O-])=C3)CC2)[NH+]=C1	REAL300005761241	1	46	0.0	-64.36	395.67	8.28	-56.08
C[N@H+](CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300005761242	1	40	0.0	-67.89	358.29	8.81	-59.08
C[N@@H+](CC(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300005761242	1	40	0.0	-68.07	358.28	8.81	-59.26
CC(C)[C@@H](C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1)[NH+](C)C	REAL300005761253	0	39	0.0	-64.01	330.98	7.45	-56.56
O=C([O-])C1=CC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=C(Cl)S1	REAL300005761271	1	35	0.0	-74.49	340.92	6.66	-67.83
C[NH+](C)CC1=CC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)=NO1	REAL300005761299	1	36	0.0	-75.31	340.74	6.25	-69.06
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761303	0	47	0.0	-72.49	406.32	10.20	-62.29
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761303	1	47	0.0	-68.79	403.63	10.27	-58.52
CC(C)[N@@H+]1CCCC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761317	0	40	0.0	-60.09	334.44	7.49	-52.60
CC(C)[N@H+]1CCCC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761317	1	40	0.0	-59.92	340.58	7.33	-52.59
C[NH+]1CCC(OCC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005761339	0	41	0.0	-72.26	361.58	7.31	-64.95
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C(Cl)S1	REAL300005761344	0	44	0.0	-69.26	386.70	8.80	-60.46
CCC[N@@H+]1CCCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005761533	0	43	0.0	-65.29	365.36	8.23	-57.06
CCC[N@H+]1CCCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005761533	1	43	0.0	-65.40	365.38	8.23	-57.17
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761564	0	43	0.0	-61.65	355.94	8.49	-53.16
CC(C)C[N@H+]1CCCC1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005761564	1	43	0.0	-60.26	365.96	8.31	-51.95
O=C([O-])C1=CC(CNC(=O)C[NH+]2CCC(CO)CC2)=C(Cl)S1	REAL300005761565	1	41	0.0	-65.69	355.40	4.40	-61.29
CC(C)[N@@H+]1CCCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005761793	0	43	0.0	-58.66	354.28	8.21	-50.45
CC(C)[N@H+]1CCCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005761793	1	43	0.0	-63.53	360.52	8.00	-55.53
C[N@@H+]1CC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300005761794	0	37	0.0	-77.22	336.02	7.48	-69.74
C[N@H+]1CC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300005761794	1	37	0.0	-73.98	338.34	6.94	-67.04
CC1=C(C)[NH+]=C(CCC(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)N1	REAL300005761819	1	38	0.0	-61.19	351.87	6.51	-54.68
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)=C1	REAL300005762302	0	43	0.0	-71.92	382.27	9.54	-62.38
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C=C1	REAL300005762309	0	44	0.0	-72.39	389.55	8.50	-63.89
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005762449	0	37	0.0	-65.62	331.18	6.95	-58.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)CC1	REAL300005762453	0	43	0.0	-60.70	353.91	7.90	-52.80
CC1=[NH+]C=C2C=CC(C(=O)NCC3=C(Cl)SC(C(=O)[O-])=C3)=CN12	REAL300005762457	0	35	0.0	-63.26	333.21	8.48	-54.78
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005762519	0	46	0.0	-64.65	382.81	8.92	-55.73
CC(C)C[N@H+]1CCCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005762519	1	46	0.0	-61.20	376.54	9.12	-52.08
CC[N@@H+]1CCCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005762520	0	40	0.0	-59.51	337.59	7.69	-51.82
CC[N@H+]1CCCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005762520	1	40	0.0	-64.88	343.86	7.49	-57.39
C[N@@H+]1CCCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005762525	0	37	0.0	-66.50	326.21	6.83	-59.67
C[N@H+]1CCCC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005762525	1	37	0.0	-66.73	326.20	6.82	-59.91
C[NH+](C)CC1=CC=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)O1	REAL300005762527	1	37	0.0	-70.31	345.11	6.92	-63.39
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005762533	0	46	0.0	-70.22	364.01	7.89	-62.33
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C1	REAL300005762533	1	46	0.0	-70.40	363.98	7.89	-62.51
O=C([O-])C1=CC(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)=C(Cl)S1	REAL300005762536	1	39	0.0	-60.48	338.88	8.73	-51.75
CCCCCN(CC1=C(C)N(C)N=C1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005762653	1	61	0.0	-47.19	445.25	11.39	-35.80
C=CCCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300005762764	1	54	0.0	-49.47	382.98	7.66	-41.81
CC1=CC=CC2=C1CCN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2C(=O)[O-]	REAL300005763753	0	57	0.0	-94.54	417.44	14.27	-80.27
CC1=CC=CC2=C1CCN(C(=O)C1CC[NH+](C3CC3)CC1)C2C(=O)[O-]	REAL300005764909	0	51	0.0	-89.12	370.23	12.10	-77.02
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=C(C=CC=C4C)C3C(=O)[O-])CN12	REAL300005764934	1	49	0.0	-69.99	371.08	11.06	-58.93
CC1=CC=CC2=C1CCN(C(=O)C(C)N1CC[NH+](C)CC1)C2C(=O)[O-]	REAL300005764999	1	52	0.0	-83.65	374.01	8.95	-74.70
CC1=CC=CC2=C1CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2C(=O)[O-]	REAL300005765031	0	47	0.0	-70.12	341.23	10.68	-59.44
CC1=CC=CC2=C1CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2C(=O)[O-]	REAL300005765031	1	47	0.0	-66.60	331.91	9.51	-57.09
CC1=CC=CC2=C1CCN(C(=O)C1CC[NH+](C)CC1)C2C(=O)[O-]	REAL300005765098	0	47	0.0	-79.33	350.53	10.10	-69.23
CC1=CC=CC2=C1CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2C(=O)[O-]	REAL300005765124	0	42	0.0	-72.93	339.94	11.87	-61.06
CC1=CC=CC2=C1CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2C(=O)[O-]	REAL300005765153	0	56	0.0	-78.14	368.54	11.53	-66.61
CC1=CC=CC2=C1CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C2C(=O)[O-]	REAL300005765157	0	56	0.0	-74.45	404.72	12.19	-62.26
CC1=CC=CC2=C1CCN(C(=O)CC[N@H+](C)C1CCCCC1)C2C(=O)[O-]	REAL300005765157	1	56	0.0	-75.20	404.71	12.19	-63.01
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@H+]1C)C2C(=O)[O-]	REAL300005765169	0	44	0.0	-69.50	324.31	9.18	-60.32
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@@H+]1C)C2C(=O)[O-]	REAL300005765169	1	44	0.0	-70.22	323.46	9.99	-60.23
CC1=CC=CC2=C1CCN(C(=O)C1CC[NH+](C)CC1)C2C(=O)[O-]	REAL300005765215	0	47	0.0	-79.33	350.53	10.10	-69.23
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2C(=O)[O-]	REAL300005765218	0	50	0.0	-64.99	391.19	10.74	-54.25
CC1=CC=CC2=C1CCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2C(=O)[O-]	REAL300005765229	0	58	0.0	-97.47	408.16	11.30	-86.17
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=C(C=CC=C2C)C1C(=O)[O-]	REAL300005765260	1	48	0.0	-74.86	377.27	11.49	-63.37
CC1=CC=CC2=C1CCN(C(=O)CCCC[NH+]1CCOCC1)C2C(=O)[O-]	REAL300005765261	1	54	0.0	-90.84	400.85	10.97	-79.87
CC[N@H+](CC1=CC=C(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])C=C1)C(C)C	REAL300005765263	0	59	0.0	-66.28	421.17	12.94	-53.34
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])C=C1)C(C)C	REAL300005765263	1	59	0.0	-65.63	419.51	12.79	-52.84
CC1=CC=CC2=C1CCN(C(=O)[C@H]1CCC[N@H+]1C)C2C(=O)[O-]	REAL300005765266	0	44	0.0	-69.71	317.87	9.54	-60.17
CC1=CC=CC2=C1CCN(C(=O)[C@H]1CCC[N@@H+]1C)C2C(=O)[O-]	REAL300005765266	1	44	0.0	-66.81	327.55	9.47	-57.34
CC1=CC=CC2=C1CCN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2C(=O)[O-]	REAL300005765303	0	54	0.0	-81.75	401.27	13.57	-68.18
CC1=CC=CC2=C1CCN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2C(=O)[O-]	REAL300005765303	1	54	0.0	-74.30	406.80	12.84	-61.46
CC1=CC=CC2=C1CCN(C(=O)C1CC[NH+](C3CCSC3)CC1)C2C(=O)[O-]	REAL300005765304	0	55	0.0	-82.47	405.37	12.02	-70.45
CC1=CC=CC2=C1CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2C(=O)[O-]	REAL300005765328	0	58	0.0	-82.06	399.37	10.84	-71.22
CCC(C(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-])[NH+](CC)CC	REAL300005765332	0	52	0.0	-63.13	365.91	10.73	-52.40
CC1=CC=CC2=C1CCN(C(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C2C(=O)[O-]	REAL300005765334	0	53	0.0	-64.70	398.05	12.41	-52.29
CC1=CC=CC2=C1CCN(C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C2C(=O)[O-]	REAL300005765334	1	53	0.0	-68.64	399.95	12.47	-56.17
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)C2C(=O)[O-]	REAL300005765354	0	49	0.0	-87.60	377.58	9.79	-77.81
CCC[NH+](CCC)CCCC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300005765358	0	58	0.0	-84.16	420.38	13.23	-70.93
CC1=CC=CC2=C1CCN(C(=O)C1C[N@H+](C)CCO1)C2C(=O)[O-]	REAL300005765360	1	45	0.0	-98.25	331.98	8.93	-89.32
CC1=CC=CC2=C1CCN(C(=O)C1C[N@@H+](C)CCO1)C2C(=O)[O-]	REAL300005765360	1	45	0.0	-80.36	339.46	8.90	-71.46
CC1=CC=CC2=C1CCN(C(=O)CN1C=C[NH+]=C1C(C)C)C2C(=O)[O-]	REAL300005765367	1	48	0.0	-64.89	372.08	11.25	-53.64
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2C(=O)[O-]	REAL300005765382	0	54	0.0	-68.63	405.84	12.78	-55.85
CC1=CC=CC2=C1CCN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2C(=O)[O-]	REAL300005765387	0	57	0.0	-79.05	423.46	13.49	-65.56
CC1=CC=CC2=C1CCN(C(=O)C1(C[NH+](C)C)CC1)C2C(=O)[O-]	REAL300005765391	0	47	0.0	-77.03	353.18	10.04	-66.99
CC1=CC=CC2=C1CCN(C(=O)CCCC[NH+](C)C)C2C(=O)[O-]	REAL300005765399	0	49	0.0	-89.80	367.94	11.53	-78.27
CC1=C(C(=O)N2CCC3=C(C=CC=C3C)C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005765420	1	48	0.0	-92.95	369.78	10.56	-82.39
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2C(=O)[O-]	REAL300005765423	0	57	0.0	-68.82	422.59	13.49	-55.33
CC1=CC=CC2=C1CCN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2C(=O)[O-]	REAL300005765435	1	50	0.0	-90.93	382.07	11.76	-79.17
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C2C(=O)[O-]	REAL300005765436	0	53	0.0	-74.40	403.52	12.48	-61.92
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300005765441	1	46	0.0	-74.06	351.16	9.71	-64.35
CC1=CC=CC2=C1CCN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2C(=O)[O-]	REAL300005765442	1	55	0.0	-83.04	404.49	12.39	-70.65
CC1=CC=CC2=C1CCN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2C(=O)[O-]	REAL300005765442	1	55	0.0	-79.75	404.98	12.17	-67.58
CCC[N@H+](C)CC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300005765449	0	46	0.0	-67.43	345.53	9.93	-57.50
CCC[N@@H+](C)CC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300005765449	1	46	0.0	-73.14	341.13	10.64	-62.50
CC1=CC=CC2=C1CCN(C(=O)C[N@@H+](C)C1CCC1)C2C(=O)[O-]	REAL300005765463	0	47	0.0	-70.12	348.00	11.21	-58.91
CC1=CC=CC2=C1CCN(C(=O)C[N@H+](C)C1CCC1)C2C(=O)[O-]	REAL300005765463	1	47	0.0	-64.73	352.54	10.52	-54.21
CC1=CC=CC2=C1CCN(C(=O)C(C)[NH+]1CCSCC1)C2C(=O)[O-]	REAL300005765485	1	48	0.0	-68.26	362.69	10.45	-57.81
CC1=CC=CC2=C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2C(=O)[O-]	REAL300005765491	0	52	0.0	-67.05	374.13	10.93	-56.12
CC1=CC=CC2=C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2C(=O)[O-]	REAL300005765491	1	52	0.0	-66.55	375.93	11.03	-55.52
CC1=CC=CC2=C1CCN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C2C(=O)[O-]	REAL300005765493	0	53	0.0	-70.08	405.43	12.95	-57.13
CC1=CC=CC2=C1CCN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C2C(=O)[O-]	REAL300005765493	1	53	0.0	-70.15	405.43	12.95	-57.20
COCCOCC[N@H+](C)CCC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300005765494	0	57	0.0	-73.63	434.43	9.21	-64.42
COCCOCC[N@@H+](C)CCC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300005765494	1	57	0.0	-76.93	434.48	9.21	-67.72
CC[C@@H](C(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-])[NH+](C)C	REAL300005765497	0	46	0.0	-71.66	326.30	10.00	-61.66
CC1=CC=CC2=C1CCN(C(=O)CC1(O)CCC[N@@H+](C)C1)C2C(=O)[O-]	REAL300005765499	0	51	0.0	-71.14	366.86	8.70	-62.44
CC1=CC=CC2=C1CCN(C(=O)CC1(O)CCC[N@H+](C)C1)C2C(=O)[O-]	REAL300005765499	1	51	0.0	-82.13	360.36	8.98	-73.15
CCCCCC[N@H+](C)CC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300005765510	0	55	0.0	-68.53	410.02	12.27	-56.26
CCCCCC[N@@H+](C)CC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300005765510	1	55	0.0	-74.22	405.63	12.99	-61.23
CC1=CC=CC2=C1CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2C(=O)[O-]	REAL300005765524	1	42	0.0	-81.03	340.08	11.90	-69.13
CC1=CC=CC2=C1CCN(C(=O)C[N@@H+](C)C1CCSC1)C2C(=O)[O-]	REAL300005765534	0	48	0.0	-70.73	365.64	10.77	-59.96
CC1=CC=CC2=C1CCN(C(=O)C[N@H+](C)C1CCSC1)C2C(=O)[O-]	REAL300005765534	1	48	0.0	-71.24	365.66	10.74	-60.50
CC1=CC=CC2=C1CCN(C(=O)CCN1CC[NH+](C(C)C)CC1)C2C(=O)[O-]	REAL300005765548	0	58	0.0	-79.02	421.65	9.75	-69.27
CC1=CC=CC2=C1CCN(C(=O)CC[NH+]1CCN(C(C)C)CC1)C2C(=O)[O-]	REAL300005765548	1	58	0.0	-74.32	421.04	9.73	-64.59
CC1=CC=CC2=C1CCN(C(=O)CCCN1CC[NH+](C(C)C)CC1)C2C(=O)[O-]	REAL300005765549	0	61	0.0	-77.66	438.03	10.18	-67.48
CC1=CC=CC2=C1CCN(C(=O)CCC[NH+]1CCN(C(C)C)CC1)C2C(=O)[O-]	REAL300005765549	1	61	0.0	-77.24	439.64	10.35	-66.89
CC1=CC=CC2=C1CCN(C(=O)C1CCCC3CCC[N@@H+]31)C2C(=O)[O-]	REAL300005765550	0	51	0.0	-67.77	367.55	11.90	-55.87
CC1=CC=CC2=C1CCN(C(=O)C1CCCC3CCC[N@H+]31)C2C(=O)[O-]	REAL300005765550	1	51	0.0	-44.53	369.36	11.33	-33.20
CC1=CC=CC2=C1CCN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C2C(=O)[O-]	REAL300005765552	0	50	0.0	-74.72	383.63	9.59	-65.13
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2C(=O)[O-]	REAL300005765557	0	56	0.0	-78.00	409.12	12.70	-65.30
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2C(=O)[O-]	REAL300005765557	1	56	0.0	-72.39	406.01	12.39	-60.00
CC1=CC=CC2=C1CCN(C(=O)C(C)[N@@H+]1CCC3=CC=CC=C3C1)C2C(=O)[O-]	REAL300005765562	1	54	0.0	-74.10	398.92	13.44	-60.66
CC1=CC=CC2=C1CCN(C(=O)C(C)[N@H+]1CCC3=CC=CC=C3C1)C2C(=O)[O-]	REAL300005765562	1	54	0.0	-73.00	394.08	13.36	-59.64
CC1=CC=CC2=C1CCN(C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2C(=O)[O-]	REAL300005765577	0	57	0.0	-80.20	428.64	13.74	-66.46
CC1=CC=CC2=C1CCN(C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2C(=O)[O-]	REAL300005765577	1	57	0.0	-80.78	429.11	13.71	-67.07
CC1=CC=CC2=C1CCN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C2C(=O)[O-]	REAL300005765590	0	50	0.0	-68.38	388.16	10.31	-58.07
CC1=CC=CC2=C1CCN(C(=O)C1=CC=NN1CC[NH+](C)C)C2C(=O)[O-]	REAL300005765591	0	50	0.0	-66.13	378.29	10.54	-55.59
CC1=CC=CC2=C1CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2C(=O)[O-]	REAL300005765593	0	47	0.0	-77.13	340.24	9.56	-67.57
CC1=CC=CC2=C1CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2C(=O)[O-]	REAL300005765593	1	47	0.0	-72.65	344.81	10.08	-62.57
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300005765594	1	51	0.0	-68.79	392.24	11.79	-57.00
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC[N@@H+]1C	REAL300005765597	0	50	0.0	-76.48	363.17	10.24	-66.24
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC[N@H+]1C	REAL300005765597	1	50	0.0	-84.58	363.64	11.30	-73.28
CC1=CC=CC2=C1CCN(C(=O)C1=NNC(C3CCC[N@H+]3C)=C1)C2C(=O)[O-]	REAL300005765599	1	51	0.0	-94.75	384.48	10.56	-84.19
CC1=CC=CC2=C1CCN(C(=O)C1=NNC(C3CCC[N@@H+]3C)=C1)C2C(=O)[O-]	REAL300005765599	1	51	0.0	-72.73	389.00	9.85	-62.88
CC1=CC=CC2=C1CCN(C(=O)C1C[N@@H+](C)CC(C)O1)C2C(=O)[O-]	REAL300005765604	1	48	0.0	-75.21	346.01	9.40	-65.81
CC1=CC=CC2=C1CCN(C(=O)C1C[N@H+](C)CC(C)O1)C2C(=O)[O-]	REAL300005765604	1	48	0.0	-89.16	357.05	9.43	-79.73
CC1=CC=CC2=C1CCN(C(=O)C[NH+]1CCCC1)C2C(=O)[O-]	REAL300005765610	0	44	0.0	-66.03	331.05	9.60	-56.43
CC1=[NH+]C=CN1CC(=O)N1CCC2=C(C=CC=C2C)C1C(=O)[O-]	REAL300005765612	1	42	0.0	-66.72	334.70	10.10	-56.62
CC1=CC=CC2=C1CCN(C(=O)C(C)C[NH+]1CCOCC1)C2C(=O)[O-]	REAL300005765614	0	51	0.0	-62.89	376.02	9.08	-53.81
CC1=CC=CC2=C1CCN(C(=O)C[NH+]1CCC(C)CC1)C2C(=O)[O-]	REAL300005765631	0	50	0.0	-67.39	368.88	11.01	-56.38
CC[N@@H+]1CCOC(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])C1	REAL300005765642	1	48	0.0	-84.88	353.08	9.43	-75.45
CC[N@H+]1CCOC(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])C1	REAL300005765642	1	48	0.0	-78.68	343.04	9.43	-69.25
CC1=CC=CC2=C1CCN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2C(=O)[O-]	REAL300005765672	0	57	0.0	-72.14	407.36	12.39	-59.75
CC1=CC=CC2=C1CCN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2C(=O)[O-]	REAL300005765672	1	57	0.0	-54.80	410.00	12.37	-42.43
CC1=CC=CC2=C1CCN(C(=O)CCC1CCC[N@H+]1C)C2C(=O)[O-]	REAL300005765678	0	50	0.0	-88.91	370.07	11.88	-77.03
CC1=CC=CC2=C1CCN(C(=O)CCC1CCC[N@@H+]1C)C2C(=O)[O-]	REAL300005765678	1	50	0.0	-74.75	367.45	10.59	-64.16
CC1=CC=CC2=C1CCN(C(=O)C1CCC3CCCC[N@@H+]31)C2C(=O)[O-]	REAL300005765689	0	51	0.0	-63.27	365.02	10.98	-52.29
CC1=CC=CC2=C1CCN(C(=O)C1CCC3CCCC[N@H+]31)C2C(=O)[O-]	REAL300005765689	1	51	0.0	-62.80	370.25	11.26	-51.54
CC[NH+](CC)CC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300005765709	0	46	0.0	-71.41	337.78	10.48	-60.93
CC1=CC=CC2=C1CCN(C(=O)C1CC[NH+](C(C)C)CC1)C2C(=O)[O-]	REAL300005765711	0	53	0.0	-55.76	382.77	11.20	-44.56
CC1=CC=CC2=C1CCN(C(=O)C13CC[NH+](CC1)C3)C2C(=O)[O-]	REAL300005765777	0	45	0.0	-80.71	329.37	8.76	-71.95
CCC(C(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-])[NH+](C)C	REAL300005765780	0	46	0.0	-66.00	334.81	9.49	-56.51
CC1=CC=CC2=C1CCN(C(=O)C13CC[N@H+](C1)CCC3)C2C(=O)[O-]	REAL300005765787	0	48	0.0	-81.06	337.64	9.30	-71.76
CC1=CC=CC2=C1CCN(C(=O)C13CC[N@@H+](C1)CCC3)C2C(=O)[O-]	REAL300005765787	1	48	0.0	-81.57	333.77	9.31	-72.26
CC1=CC=CC2=C1CCN(C(=O)C[NH+]1C(C)CCC1C)C2C(=O)[O-]	REAL300005765825	0	50	0.0	-63.69	363.33	10.40	-53.29
CC1=CC=CC2=C1CCN(C(=O)C1=CC=CC(C[NH+](C)C)=C1)C2C(=O)[O-]	REAL300005765826	0	50	0.0	-80.01	381.90	11.65	-68.36
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2C(=O)[O-]	REAL300005765827	0	57	0.0	-79.62	413.50	13.49	-66.13
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2C(=O)[O-]	REAL300005765827	1	57	0.0	-72.80	410.67	14.31	-58.49
C#CC[NH+]1CCC(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300005765879	0	49	0.0	-57.98	373.63	11.22	-46.76
CC[NH+]1CCN(CCC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300005765881	0	55	0.0	-80.70	404.90	9.24	-71.46
CCN1CC[NH+](CCC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300005765881	1	55	0.0	-74.21	404.40	9.20	-65.01
CC1=CC=CC2=C1CCN(C(=O)C[N@@H+](C)C(C)C)C2C(=O)[O-]	REAL300005765882	0	46	0.0	-70.37	336.32	10.43	-59.94
CC1=CC=CC2=C1CCN(C(=O)C[N@H+](C)C(C)C)C2C(=O)[O-]	REAL300005765882	1	46	0.0	-64.42	340.71	9.71	-54.71
CC1=CC=CC2=C1CCN(C(=O)CCN1C=C[NH+]=C1C(C)C)C2C(=O)[O-]	REAL300005765887	1	51	0.0	-67.66	391.72	11.73	-55.93
CC[N@H+](CC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-])C1CC1	REAL300005765894	0	47	0.0	-69.12	351.22	11.18	-57.94
CC[N@@H+](CC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-])C1CC1	REAL300005765894	1	47	0.0	-64.88	352.66	10.50	-54.38
CC1=CC=CC2=C1CCN(C(=O)C(C)[NH+]1CCCCCC1)C2C(=O)[O-]	REAL300005765920	0	53	0.0	-64.80	374.78	10.89	-53.91
CC1=CC=CC2=C1CCN(C(=O)[C@@H]1CCC[N@H+]1C)C2C(=O)[O-]	REAL300005765924	0	44	0.0	-72.51	322.62	10.10	-62.41
CC1=CC=CC2=C1CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2C(=O)[O-]	REAL300005765924	1	44	0.0	-74.90	320.98	9.73	-65.17
CC1=CC=CC2=C1CCN(C(=O)C[NH2+]C(C)(C)C)C2C(=O)[O-]	REAL300005765993	0	46	0.0	-70.63	341.53	9.06	-61.57
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])O1	REAL300005765995	0	53	0.0	-56.66	403.76	11.78	-44.88
CC1=CC=CC2=C1CCN(C(=O)CCCC[NH+]1CCCC1)C2C(=O)[O-]	REAL300005765996	0	53	0.0	-87.89	393.91	12.70	-75.19
CC1=CC=C(N2CCC(C(=O)N3CCC4=C(C)C=CC=C4C3C(=O)[O-])CC2)[NH+]=C1	REAL300005765998	1	56	0.0	-77.36	419.98	11.52	-65.84
CC1=CC=CC2=C1CCN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C2C(=O)[O-]	REAL300005765999	1	50	0.0	-71.13	382.96	12.11	-59.02
CC1=CC=CC2=C1CCN(C(=O)C[N@H+](C)CC1=CC=CC=C1)C2C(=O)[O-]	REAL300005765999	1	50	0.0	-70.86	382.95	12.11	-58.75
CC1=CC=CC2=C1CCN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2C(=O)[O-]	REAL300005766024	1	45	0.0	-74.40	358.62	9.53	-64.87
CC1=CC=CC2=C1CCN(C(=O)C1=NOC(C[NH+](C)C)=C1)C2C(=O)[O-]	REAL300005766046	1	46	0.0	-93.01	357.78	10.70	-82.31
CC1=CC=CC2=C1CCN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CC1C)C2C(=O)[O-]	REAL300005766050	0	57	0.0	-85.65	424.92	13.24	-72.41
CC1=CC=CC2=C1CCN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CC1C)C2C(=O)[O-]	REAL300005766050	1	57	0.0	-83.43	427.44	13.38	-70.05
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@H+]1C(C)C)C2C(=O)[O-]	REAL300005766063	0	50	0.0	-69.72	339.77	10.98	-58.74
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@@H+]1C(C)C)C2C(=O)[O-]	REAL300005766063	1	50	0.0	-70.58	357.29	11.02	-59.56
CC1=CC=CC2=C1CCN(C(=O)COC1CC[NH+](C)CC1)C2C(=O)[O-]	REAL300005766080	0	51	0.0	-85.58	386.25	10.70	-74.88
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2C(=O)[O-]	REAL300005766085	0	54	0.0	-97.16	403.01	12.78	-84.38
CCC[N@@H+]1CCCC(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])C1	REAL300005766232	0	53	0.0	-76.68	388.92	11.57	-65.11
CCC[N@H+]1CCCC(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])C1	REAL300005766232	1	53	0.0	-71.91	389.06	11.48	-60.43
CC1=CC=CC2=C1CCN(C(=O)C[NH+]1CCC(CO)CC1)C2C(=O)[O-]	REAL300005766257	0	51	0.0	-71.24	379.72	7.69	-63.55
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@@H+](C(C)C)C1)C2C(=O)[O-]	REAL300005766434	0	53	0.0	-80.79	380.36	12.00	-68.79
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@H+](C(C)C)C1)C2C(=O)[O-]	REAL300005766434	1	53	0.0	-66.57	372.02	12.08	-54.49
CC1=CC=CC2=C1CCN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C2C(=O)[O-]	REAL300005766435	0	47	0.0	-79.21	350.68	10.38	-68.83
CC1=CC=CC2=C1CCN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C2C(=O)[O-]	REAL300005766435	1	47	0.0	-76.00	356.03	9.97	-66.03
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(C=CC=C3C)C2C(=O)[O-])N1	REAL300005766458	1	48	0.0	-76.25	372.82	10.67	-65.58
CC1=CC=CC2=C1CCN(C(=O)C1=CC=CC(CC[NH+](C)C)=C1)C2C(=O)[O-]	REAL300005766843	0	53	0.0	-82.55	404.38	12.47	-70.08
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C2C(=O)[O-]	REAL300005766850	0	54	0.0	-69.44	410.87	11.41	-58.03
CC1=CC=CC2=C1CCN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C2C(=O)[O-]	REAL300005766967	0	47	0.0	-73.13	353.95	10.33	-62.80
CC1=CC=CC2=C1CCN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C2C(=O)[O-]	REAL300005766971	0	53	0.0	-70.28	367.44	11.47	-58.81
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=C(C=CC=C4C)C3C(=O)[O-])=CN21	REAL300005766975	0	45	0.0	-69.36	361.33	11.64	-57.72
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@@H+](CC(C)C)C1)C2C(=O)[O-]	REAL300005767024	0	56	0.0	-80.02	402.69	12.97	-67.05
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@H+](CC(C)C)C1)C2C(=O)[O-]	REAL300005767024	1	56	0.0	-63.75	394.18	12.17	-51.58
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])C1	REAL300005767025	0	50	0.0	-75.51	365.97	10.76	-64.75
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])C1	REAL300005767025	1	50	0.0	-81.49	362.22	11.42	-70.07
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@@H+](C)C1)C2C(=O)[O-]	REAL300005767030	0	47	0.0	-60.80	341.35	10.32	-50.48
CC1=CC=CC2=C1CCN(C(=O)C1CCC[N@H+](C)C1)C2C(=O)[O-]	REAL300005767030	1	47	0.0	-76.09	337.52	9.84	-66.25
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(C[NH+](C)C)O1)C2C(=O)[O-]	REAL300005767032	1	47	0.0	-100.01	361.81	10.98	-89.03
CC1=CC=CC2=C1CCN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2C(=O)[O-]	REAL300005767040	0	49	0.0	-79.90	359.86	11.69	-68.21
CC1=CC=CC2=C1CCN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2C(=O)[O-]	REAL300005767040	1	49	0.0	-78.58	340.40	11.87	-66.71
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005768365	0	54	0.0	-85.15	404.44	11.96	-73.19
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005769135	0	51	0.0	-66.78	382.67	11.05	-55.73
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005769135	1	51	0.0	-69.74	387.80	11.48	-58.26
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300005769984	1	51	0.0	-69.48	400.30	11.58	-57.90
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300005769984	1	51	0.0	-68.63	399.46	11.57	-57.06
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300005770059	0	48	0.0	-78.25	355.52	9.76	-68.49
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])CN21	REAL300005770087	1	46	0.0	-68.84	351.09	9.42	-59.42
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005770088	0	54	0.0	-71.39	407.13	11.86	-59.53
CC1=NC(C[NH+]2CCC(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])CC2)=CS1	REAL300005770164	1	53	0.0	-83.17	411.39	9.67	-73.50
CC(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])N1CC[NH+](C)CC1	REAL300005770165	1	49	0.0	-71.51	349.25	7.50	-64.01
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300005770249	0	57	0.0	-81.14	440.43	11.78	-69.36
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300005770261	0	57	0.0	-83.67	433.67	14.97	-68.70
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300005770261	1	57	0.0	-85.31	433.68	14.96	-70.35
CC1(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300005770263	0	57	0.0	-64.91	406.14	12.83	-52.08
C[NH+](C)CC1(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CCCCC1	REAL300005770348	0	53	0.0	-71.17	349.81	11.60	-59.57
C[N@H+](CCC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])C1CCCCC1	REAL300005770352	0	53	0.0	-75.78	385.36	10.61	-65.17
C[N@@H+](CCC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])C1CCCCC1	REAL300005770352	1	53	0.0	-75.45	385.37	10.60	-64.85
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005770375	1	54	0.0	-72.70	398.23	11.68	-61.02
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005770375	1	54	0.0	-40.41	390.85	12.14	-28.27
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005770376	1	51	0.0	-70.35	389.98	11.13	-59.22
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005770376	1	51	0.0	-69.41	389.14	11.12	-58.29
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005770433	0	47	0.0	-91.99	366.95	10.30	-81.69
C[NH+](C)CCN1N=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=C1C1=CC=CC=C1	REAL300005770438	0	57	0.0	-86.68	433.89	12.25	-74.43
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005770463	0	54	0.0	-67.26	376.68	10.59	-56.67
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005770463	1	54	0.0	-44.73	361.81	10.87	-33.86
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005770464	0	55	0.0	-66.79	388.53	8.84	-57.95
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770495	1	45	0.0	-72.40	357.88	9.91	-62.49
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300005770496	1	51	0.0	-80.06	385.22	8.59	-71.47
CC[N@H+](CC1=CC=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1)C(C)C	REAL300005770498	0	56	0.0	-89.48	400.38	12.58	-76.90
CC[N@@H+](CC1=CC=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1)C(C)C	REAL300005770498	1	56	0.0	-90.87	397.85	12.37	-78.50
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005770523	0	51	0.0	-74.86	390.76	11.38	-63.48
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005770523	1	51	0.0	-76.01	388.90	11.36	-64.65
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005770524	0	52	0.0	-86.39	385.52	10.59	-75.80
C[NH+]1CCN(C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300005770553	1	56	0.0	-75.07	420.93	10.18	-64.89
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005770554	0	55	0.0	-75.89	383.15	8.87	-67.02
CC(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005770557	0	50	0.0	-55.01	369.78	11.91	-43.10
CC(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005770557	1	50	0.0	-71.10	378.49	10.91	-60.19
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005770568	0	57	0.0	-78.75	425.24	12.75	-66.00
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005770568	1	57	0.0	-75.22	423.07	14.11	-61.11
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300005770597	0	46	0.0	-85.43	352.31	9.36	-76.07
CCC[NH+](CCC)CCCC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770608	0	55	0.0	-75.37	408.93	11.22	-64.15
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005770609	1	55	0.0	-68.87	412.84	8.84	-60.03
CC[N@H+](C)C(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300005770610	0	50	0.0	-53.20	374.93	11.92	-41.28
CC[N@@H+](C)C(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300005770610	1	50	0.0	-65.06	373.73	10.85	-54.21
CC[NH+](CC)C(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300005770615	0	53	0.0	-61.32	375.32	11.79	-49.53
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770621	1	45	0.0	-66.26	352.05	9.73	-56.53
C[NH+](C)C(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005770623	1	47	0.0	-60.01	368.61	11.90	-48.11
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005770637	0	51	0.0	-92.08	380.87	12.38	-79.70
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005770644	0	54	0.0	-82.11	398.59	13.22	-68.89
CCN1CCC([NH+]2CCC(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])CC2)CC1	REAL300005770651	0	62	0.0	-79.95	433.08	9.32	-70.63
CC1C[NH+](CC2=CC=C(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)CC(C)O1	REAL300005770658	1	58	0.0	-88.52	428.58	10.97	-77.55
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005770669	1	55	0.0	-84.72	421.22	11.54	-73.18
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005770669	1	55	0.0	-87.78	414.63	11.46	-76.32
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005770684	0	54	0.0	-53.28	394.64	13.08	-40.20
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005770684	1	54	0.0	-66.40	390.97	12.48	-53.92
CC1=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005770686	1	45	0.0	-86.21	351.23	9.68	-76.53
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005770694	0	54	0.0	-94.03	398.52	13.23	-80.80
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005770706	1	47	0.0	-79.57	369.29	9.34	-70.23
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300005770707	0	50	0.0	-88.06	382.51	10.90	-77.16
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770718	1	43	0.0	-52.87	336.13	8.94	-43.93
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005770719	1	52	0.0	-76.22	385.08	11.28	-64.94
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005770719	1	52	0.0	-86.82	392.38	11.46	-75.36
CC(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005770733	0	60	0.0	-71.03	442.69	13.40	-57.63
CC(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])[NH+]1CCSCC1	REAL300005770773	1	45	0.0	-70.56	336.89	8.62	-61.94
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770780	0	50	0.0	-73.18	386.13	11.42	-61.76
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770780	1	50	0.0	-73.25	386.13	11.41	-61.84
COCCOCC[N@H+](C)CCC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770781	0	54	0.0	-74.94	414.90	7.64	-67.30
COCCOCC[N@@H+](C)CCC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770781	1	54	0.0	-75.97	415.13	7.63	-68.34
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300005770785	0	48	0.0	-67.28	346.66	7.09	-60.19
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300005770785	1	48	0.0	-75.03	344.61	7.25	-67.78
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005770795	0	59	0.0	-80.59	441.25	11.14	-69.45
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300005770796	1	53	0.0	-65.27	394.21	11.23	-54.04
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300005770796	1	53	0.0	-72.35	399.56	10.33	-62.02
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300005770797	1	53	0.0	-56.32	392.68	11.17	-45.15
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300005770797	1	53	0.0	-40.63	379.40	10.31	-30.32
CCCCCC[N@H+](C)CC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770799	0	52	0.0	-71.51	390.72	10.72	-60.79
CCCCCC[N@@H+](C)CC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770799	1	52	0.0	-71.46	390.74	10.73	-60.73
C[N@H+](CC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])C1CCSC1	REAL300005770828	0	45	0.0	-74.73	345.86	9.22	-65.51
C[N@@H+](CC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])C1CCSC1	REAL300005770828	1	45	0.0	-76.07	346.31	9.21	-66.86
CC(C)[NH+]1CCN(CCC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300005770843	0	55	0.0	-75.47	402.37	8.17	-67.30
CC(C)N1CC[NH+](CCC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300005770843	1	55	0.0	-75.23	398.54	8.04	-67.19
CC(C)[NH+]1CCN(CCCC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300005770844	0	58	0.0	-75.09	419.26	8.78	-66.31
CC(C)N1CC[NH+](CCCC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300005770844	1	58	0.0	-76.31	420.11	8.76	-67.55
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300005770845	0	48	0.0	-56.15	345.50	10.89	-45.26
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300005770845	1	48	0.0	-45.80	333.94	9.46	-36.34
C[NH+](C)CCN1C=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300005770847	0	47	0.0	-86.59	361.58	9.45	-77.14
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])CC2)=C1	REAL300005770854	0	59	0.0	-79.44	440.60	11.03	-68.41
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005770856	0	56	0.0	-79.35	419.17	10.37	-68.98
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005770859	0	53	0.0	-76.80	399.38	10.15	-66.65
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005770859	1	53	0.0	-71.67	393.02	10.23	-61.44
CC(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005770864	1	51	0.0	-69.46	377.56	11.19	-58.27
CC(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005770864	1	51	0.0	-70.67	376.55	11.18	-59.49
CCC(CC)C(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])[NH+]1CCOCC1	REAL300005770883	1	57	0.0	-61.58	389.53	9.67	-51.91
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005770892	0	54	0.0	-80.08	409.84	12.17	-67.91
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005770892	1	54	0.0	-79.84	410.63	12.17	-67.67
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300005770907	0	47	0.0	-91.49	369.43	8.70	-82.79
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770908	0	47	0.0	-56.21	361.86	9.14	-47.07
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770914	1	48	0.0	-68.22	372.98	10.22	-58.00
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=NN1	REAL300005770918	1	48	0.0	-79.21	362.78	7.68	-71.53
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=NN1	REAL300005770918	1	48	0.0	-79.22	364.24	7.78	-71.44
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005770930	0	54	0.0	-76.99	409.56	11.97	-65.02
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005770930	1	54	0.0	-70.76	404.62	12.15	-58.61
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300005770931	1	50	0.0	-64.76	383.62	9.92	-54.84
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300005770931	1	50	0.0	-65.11	378.47	9.23	-55.88
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005770935	1	48	0.0	-70.58	351.35	8.75	-61.83
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005770936	0	55	0.0	-78.89	417.46	9.76	-69.13
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005770990	0	54	0.0	-72.18	391.01	10.81	-61.37
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005770990	1	54	0.0	-70.37	385.67	11.91	-58.46
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C12CCC[NH+](CCC1)C2	REAL300005771009	0	48	0.0	-74.13	329.99	9.56	-64.57
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300005771013	0	48	0.0	-67.79	346.02	9.43	-58.36
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300005771013	1	48	0.0	-65.66	352.98	9.82	-55.84
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300005771015	0	59	0.0	-44.26	426.81	10.71	-33.55
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300005771015	1	59	0.0	-77.30	433.11	10.70	-66.60
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005771022	0	51	0.0	-64.34	352.57	8.27	-56.07
CC(C)[N@@H+]1CCC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005771027	0	60	0.0	-60.36	422.51	11.07	-49.29
CC(C)[N@H+]1CCC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005771027	1	60	0.0	-86.47	433.21	10.18	-76.29
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300005771028	0	54	0.0	-87.73	406.10	9.51	-78.22
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300005771028	1	54	0.0	-59.50	383.74	9.30	-50.20
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])=C2)CC1	REAL300005771033	0	56	0.0	-79.89	415.59	10.79	-69.10
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)CC1	REAL300005771034	0	56	0.0	-93.69	414.71	10.61	-83.08
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)CC1	REAL300005771034	1	56	0.0	-94.82	415.06	10.67	-84.15
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300005771035	0	57	0.0	-93.57	417.87	12.15	-81.42
CC(C)[NH+]1CCC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300005771041	0	50	0.0	-77.34	358.50	9.32	-68.02
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005771155	0	58	0.0	-90.01	432.95	9.16	-80.85
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300005771159	0	47	0.0	-80.11	357.76	11.38	-68.73
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005771160	0	54	0.0	-61.37	393.95	13.36	-48.01
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005771160	1	54	0.0	-66.83	401.51	13.32	-53.51
C#CC[NH+]1CCC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300005771226	0	46	0.0	-81.65	350.96	9.51	-72.14
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005771228	0	50	0.0	-66.55	366.22	9.92	-56.63
CCC[N@H+]1CCCCC1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005771228	1	50	0.0	-57.51	356.87	10.87	-46.64
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005771230	0	47	0.0	-61.95	356.71	11.45	-50.50
CC[NH+]1CCN(CCC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300005771232	0	52	0.0	-77.07	385.58	7.66	-69.41
CCN1CC[NH+](CCC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300005771232	1	52	0.0	-75.32	384.98	7.68	-67.64
CC(C)C(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])[NH+]1CCCCC1	REAL300005771234	0	53	0.0	-58.68	368.01	10.89	-47.79
C[NH+](C)C(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300005771235	1	47	0.0	-66.51	354.71	10.18	-56.33
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005771239	0	52	0.0	-52.97	396.42	9.57	-43.40
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005771239	1	52	0.0	-65.89	391.18	9.53	-56.36
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005771245	1	48	0.0	-67.76	372.39	10.15	-57.61
C[NH+](C)CC1=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])OC2=CC=CC=C21	REAL300005771246	0	50	0.0	-60.46	384.04	10.85	-49.61
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005771251	0	51	0.0	-56.05	356.10	10.50	-45.55
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCC[N@H+]1C1CCCC1	REAL300005771251	1	51	0.0	-63.86	366.89	10.11	-53.75
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300005771279	1	52	0.0	-53.79	379.96	12.56	-41.23
CC(C)C(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005771280	1	57	0.0	-69.46	407.83	10.15	-59.31
CC(C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])[NH+]1CCCCCC1	REAL300005771281	0	50	0.0	-54.54	342.82	10.31	-44.23
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])=CC=C1N2	REAL300005771317	1	52	0.0	-82.63	394.60	10.45	-72.18
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])=CC=C1N2	REAL300005771317	1	52	0.0	-90.78	391.98	11.77	-79.01
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300005771375	0	50	0.0	-82.11	383.62	10.21	-71.90
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CCCC[NH+]1CCCC1	REAL300005771376	0	50	0.0	-76.84	378.28	10.31	-66.53
CC1=CC=C(N2CCC(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])CC2)[NH+]=C1	REAL300005771378	1	53	0.0	-76.95	395.84	9.63	-67.32
C[N@H+](CC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300005771379	1	47	0.0	-74.52	363.65	10.57	-63.95
C[N@@H+](CC(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300005771379	1	47	0.0	-74.55	363.70	10.57	-63.98
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)CC1	REAL300005771383	0	59	0.0	-96.85	424.97	11.76	-85.09
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005771397	1	42	0.0	-84.79	336.55	9.39	-75.40
C[NH+](C)CC1=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=NO1	REAL300005771426	1	43	0.0	-80.82	342.56	8.14	-72.68
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005771432	0	54	0.0	-75.03	407.45	12.07	-62.96
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005771432	1	54	0.0	-79.55	410.43	11.91	-67.64
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300005771456	0	55	0.0	-85.57	427.63	11.47	-74.10
C[NH+]1CCC(OCC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300005771473	0	48	0.0	-82.82	366.88	9.10	-73.72
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005771479	0	51	0.0	-83.09	389.75	10.60	-72.49
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005771520	0	53	0.0	-77.82	392.03	11.17	-66.65
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005771520	1	53	0.0	-72.13	395.43	10.08	-62.05
CCC[N@@H+]1CCCC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300005771664	0	50	0.0	-69.29	364.23	11.16	-58.13
CCC[N@H+]1CCCC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300005771664	1	50	0.0	-56.25	356.51	11.19	-45.06
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005771696	0	50	0.0	-67.66	367.05	9.93	-57.73
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005771696	1	50	0.0	-70.66	358.21	10.32	-60.34
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300005771699	0	48	0.0	-74.09	360.35	6.15	-67.94
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005771793	0	55	0.0	-82.80	411.10	12.22	-70.58
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005771793	1	55	0.0	-82.51	408.83	13.56	-68.95
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005771831	1	54	0.0	-74.74	398.23	11.68	-63.06
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CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])N1	REAL300005771947	1	45	0.0	-68.81	356.60	8.32	-60.49
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300005772421	0	50	0.0	-84.00	380.24	12.22	-71.78
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CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300005772628	0	53	0.0	-72.59	384.40	10.43	-62.16
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CCN(CC1=CC=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005773094	0	46	0.0	-44.83	354.59	10.28	-34.55
CCN(CC1=CC=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005773094	1	46	0.0	-51.15	343.74	10.30	-40.85
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CCC[NH+](CCC)CCNC(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300005773137	0	52	0.0	-80.16	404.54	10.08	-70.08
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CCC[NH+](CCC)CCNC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005773139	0	51	0.0	-79.58	393.29	9.53	-70.05
CCC[NH+](CCC)CCNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005773140	0	49	0.0	-79.60	381.74	9.23	-70.37
CCC[NH+](CCC)CCNC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005773141	0	53	0.0	-78.02	430.43	4.70	-73.32
CCC[NH+](CCC)CCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005773142	0	47	0.0	-76.63	379.85	8.97	-67.66
CCC[NH+](CCC)CCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005773143	0	47	0.0	-76.63	379.85	8.97	-67.66
CCC[NH+](CCC)CCNC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1	REAL300005773144	0	55	0.0	-82.26	422.22	9.60	-72.66
CCC[NH+](CCC)CCNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005773145	0	52	0.0	-88.70	404.06	9.67	-79.03
CCC[NH+](CCC)CCNC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005773146	0	51	0.0	-68.02	388.85	9.50	-58.52
CCC[NH+](CCC)CCNC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300005773147	0	55	0.0	-78.07	426.79	10.16	-67.91
CCC[NH+](CCC)CCNC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300005773148	0	48	0.0	-82.38	371.90	8.71	-73.67
CCC[NH+](CCC)CCNC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300005773149	0	45	0.0	-76.10	356.21	8.39	-67.71
CCC[NH+](CCC)CCNC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300005773150	0	48	0.0	-85.48	376.36	9.01	-76.47
CCC[NH+](CCC)CCNC(=O)C1=CC=C(C(=O)[O-])C(C)=N1	REAL300005773151	0	47	0.0	-65.61	360.55	6.83	-58.78
CCC[NH+](CCC)CCNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300005773152	0	45	0.0	-77.51	372.98	8.91	-68.60
CCC[NH+](CCC)CCNC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005773153	0	48	0.0	-77.68	373.88	9.08	-68.60
CCC[NH+](CCC)CCNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300005773154	0	55	0.0	-68.07	413.40	11.37	-56.70
CCC[NH+](CCC)CCNC(=O)C1=C(CC(=O)[O-])OC=C1C	REAL300005773155	0	48	0.0	-72.84	380.98	7.85	-64.99
CCC[NH+](CCC)CCNC(=O)CC1CCC(C(=O)[O-])CC1	REAL300005773156	0	54	0.0	-71.30	389.33	9.03	-62.27
CCC[NH+](CCC)CCNC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300005773157	0	52	0.0	-82.90	385.66	8.72	-74.18
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CCC[NH+](CCC)CCNC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005773159	0	47	0.0	-75.74	373.56	7.62	-68.12
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CCC[NH+](CCC)CCNC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300005773162	0	46	0.0	-67.26	366.78	7.62	-59.64
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CCC[NH+](CCC)CCNC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005773164	0	49	0.0	-75.75	378.23	8.32	-67.43
CCC[NH+](CCC)CCNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005773165	0	54	0.0	-82.85	415.55	8.61	-74.24
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CCC[NH+](CCC)CCNC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300005773167	0	48	0.0	-72.69	369.41	8.81	-63.88
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CCC[NH+](CCC)CCNC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005773175	0	51	0.0	-92.98	396.91	7.58	-85.40
CCC[NH+](CCC)CCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005773176	0	52	0.0	-82.43	390.78	7.98	-74.45
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CCC[NH+](CCC)CCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300005773199	0	46	0.0	-65.88	372.39	7.05	-58.83
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CN(CC1=CC=C(C2=CSC=C2)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005773521	0	50	0.0	-48.04	399.21	11.90	-36.14
CN(CC1=CC=C(C2=CSC=C2)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005773521	1	50	0.0	-45.59	392.03	11.44	-34.15
CC1=NOC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)=N1	REAL300005773629	1	47	0.0	-49.51	350.63	4.72	-44.79
CC1=NOC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)=N1	REAL300005773629	1	47	0.0	-49.75	354.76	4.91	-44.84
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773663	1	50	0.0	-84.05	390.88	10.02	-74.03
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773663	1	50	0.0	-81.43	400.99	10.84	-70.59
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773664	1	50	0.0	-91.36	390.71	9.96	-81.40
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773664	1	50	0.0	-92.21	401.02	10.83	-81.38
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773666	1	49	0.0	-60.86	389.45	8.35	-52.51
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773666	1	49	0.0	-60.22	399.44	9.08	-51.14
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC=NC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773667	1	49	0.0	-94.47	386.79	8.20	-86.27
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC=NC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773667	1	49	0.0	-95.97	397.27	9.07	-86.90
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773668	1	47	0.0	-67.44	377.07	8.36	-59.08
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773668	1	47	0.0	-64.15	387.42	9.23	-54.92
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773669	1	47	0.0	-57.95	363.24	8.53	-49.42
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773669	1	47	0.0	-58.70	373.77	9.38	-49.32
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773670	1	47	0.0	-57.95	363.24	8.53	-49.42
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773670	1	47	0.0	-58.70	373.77	9.38	-49.32
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CCCC(C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773671	1	56	0.0	-91.35	415.48	10.16	-81.19
CC(C)[N@H+]1CC[C@@H](NC(=O)C2CCCC(C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773671	1	56	0.0	-90.59	420.76	10.90	-79.69
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])N=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773672	1	49	0.0	-82.77	386.58	8.19	-74.58
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])N=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773672	1	49	0.0	-82.81	396.94	9.06	-73.75
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773673	1	49	0.0	-71.50	388.00	8.24	-63.26
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773673	1	49	0.0	-68.37	398.54	9.07	-59.30
CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773674	1	55	0.0	-79.28	399.81	9.39	-69.89
CC(C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773674	1	55	0.0	-80.71	410.25	10.27	-70.44
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CN=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773675	1	48	0.0	-74.50	383.69	6.38	-68.12
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CN=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773675	1	48	0.0	-74.63	394.00	7.25	-67.38
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773676	1	56	0.0	-82.54	415.49	10.17	-72.37
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773676	1	56	0.0	-82.50	427.16	11.06	-71.44
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773677	1	56	0.0	-79.52	409.64	10.13	-69.39
CC(C)[N@H+]1CC[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773677	1	56	0.0	-82.16	427.13	11.08	-71.08
CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773678	1	49	0.0	-96.07	393.21	6.73	-89.34
CC(C)[N@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773678	1	49	0.0	-95.21	402.98	7.47	-87.74
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773679	1	50	0.0	-84.05	390.88	10.02	-74.03
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773679	1	50	0.0	-81.43	400.99	10.84	-70.59
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773680	1	53	0.0	-90.58	399.10	9.52	-81.06
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773680	1	53	0.0	-87.07	409.59	10.37	-76.70
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])OC=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773681	1	50	0.0	-80.97	393.90	8.98	-71.99
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])OC=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773681	1	50	0.0	-79.80	403.59	9.73	-70.07
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773682	1	49	0.0	-77.77	388.30	8.25	-69.52
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773682	1	49	0.0	-78.84	398.77	9.11	-69.73
CC(C)[N@@H+]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773683	1	51	0.0	-78.62	394.79	9.65	-68.97
CC(C)[N@H+]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773683	1	51	0.0	-80.27	404.42	10.41	-69.86
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773684	1	50	0.0	-55.79	380.26	8.97	-46.82
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773684	1	50	0.0	-54.11	387.90	9.82	-44.29
CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773685	1	49	0.0	-80.86	370.30	9.22	-71.64
CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773685	1	49	0.0	-82.85	380.93	10.02	-72.83
CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773686	1	55	0.0	-79.28	399.81	9.39	-69.89
CC(C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773686	1	55	0.0	-80.71	410.25	10.27	-70.44
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773687	1	49	0.0	-81.54	377.44	8.58	-72.96
CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773687	1	49	0.0	-83.29	387.83	9.44	-73.85
CC(C)[N@H+]1CC[C@@H](NC(=O)CC(C)CC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773688	1	52	0.0	-81.89	400.57	9.87	-72.02
CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(C)CC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773688	1	52	0.0	-84.41	389.99	9.03	-75.38
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=NOC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773689	1	46	0.0	-69.55	371.57	7.53	-62.02
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=NOC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773689	1	46	0.0	-69.77	382.05	8.38	-61.39
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773690	1	53	0.0	-62.15	394.76	9.62	-52.53
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773690	1	53	0.0	-64.71	405.17	10.50	-54.21
CC1=C(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2C2=CC=C(F)C(F)=C2)C=C(C(=O)[O-])O1	REAL300005773691	1	50	0.0	-70.62	394.58	9.20	-61.42
CC1=C(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2C2=CC=C(F)C(F)=C2)C=C(C(=O)[O-])O1	REAL300005773691	1	50	0.0	-69.93	404.27	9.96	-59.97
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2C2=CC=C(F)C(F)=C2)=C1	REAL300005773692	1	50	0.0	-64.81	396.04	9.04	-55.77
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2C2=CC=C(F)C(F)=C2)=C1	REAL300005773692	1	50	0.0	-64.13	405.36	9.82	-54.31
CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773693	1	50	0.0	-91.31	398.12	8.22	-83.09
CC(C)[N@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773693	1	50	0.0	-90.46	407.89	8.96	-81.50
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCSCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773694	1	50	0.0	-78.88	400.41	9.17	-69.71
CC(C)[N@H+]1CC[C@@H](NC(=O)CCSCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773694	1	50	0.0	-79.62	410.87	10.03	-69.59
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773695	1	49	0.0	-71.50	388.00	8.24	-63.26
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773695	1	49	0.0	-68.37	398.54	9.07	-59.30
CC(C)[N@@H+]1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773696	1	47	0.0	-83.56	369.61	7.82	-75.74
CC(C)[N@H+]1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773696	1	47	0.0	-84.97	380.16	8.68	-76.29
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=NN2C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773697	1	50	0.0	-76.59	393.61	7.73	-68.86
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=NN2C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773697	1	50	0.0	-75.74	403.74	8.49	-67.25
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773698	1	54	0.0	-85.55	413.63	9.58	-75.97
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773698	1	54	0.0	-85.56	423.36	10.34	-75.22
CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773699	1	55	0.0	-84.68	409.31	9.62	-75.06
CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773699	1	55	0.0	-86.11	419.00	10.38	-75.73
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773700	1	53	0.0	-90.58	399.10	9.52	-81.06
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773700	1	53	0.0	-87.07	409.59	10.37	-76.70
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CN=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773701	1	49	0.0	-83.95	385.87	8.17	-75.78
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CN=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773701	1	49	0.0	-83.85	396.18	9.05	-74.80
CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2C=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773702	1	50	0.0	-103.13	397.42	8.24	-94.89
CC(C)[N@H+]1CC[C@@H](NC(=O)CN2C=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773702	1	50	0.0	-102.04	407.17	9.00	-93.04
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773703	1	50	0.0	-84.80	378.07	10.14	-74.66
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773703	1	50	0.0	-54.46	389.50	9.82	-44.64
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773704	1	50	0.0	-84.80	378.07	10.14	-74.66
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773704	1	50	0.0	-54.46	389.50	9.82	-44.64
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773705	1	47	0.0	-84.71	363.66	9.54	-75.17
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773705	1	47	0.0	-61.31	375.90	9.24	-52.07
CC1=C(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2C2=CC=C(F)C(F)=C2)OC(C(=O)[O-])=C1	REAL300005773706	1	50	0.0	-67.26	396.03	9.15	-58.11
CC1=C(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2C2=CC=C(F)C(F)=C2)OC(C(=O)[O-])=C1	REAL300005773706	1	50	0.0	-68.27	405.43	9.91	-58.36
CCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005773707	1	49	0.0	-51.47	380.65	9.35	-42.12
CCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005773707	1	49	0.0	-53.69	370.56	8.52	-45.17
CC(C)C(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005773708	1	52	0.0	-51.31	396.40	9.93	-41.38
CC(C)C(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005773708	1	52	0.0	-55.89	392.24	9.07	-46.82
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773709	1	56	0.0	-78.47	405.00	10.82	-67.65
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773709	1	56	0.0	-76.99	414.39	11.60	-65.39
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773710	1	47	0.0	-76.37	367.65	8.60	-67.77
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773710	1	47	0.0	-74.74	377.52	9.33	-65.41
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773711	1	54	0.0	-83.82	411.65	10.31	-73.51
CC(C)[N@H+]1CC[C@@H](NC(=O)C2CC3(CC3C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773711	1	54	0.0	-88.81	425.00	11.22	-77.59
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773712	1	50	0.0	-83.13	383.10	9.06	-74.07
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773712	1	50	0.0	-82.27	392.85	9.80	-72.47
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773713	1	56	0.0	-83.76	420.78	11.18	-72.58
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773713	1	56	0.0	-80.74	434.29	11.88	-68.86
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773714	1	53	0.0	-81.57	402.85	9.51	-72.06
CC(C)[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773714	1	53	0.0	-82.75	412.52	10.29	-72.46
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=C(C(=O)[O-])SC=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773715	1	47	0.0	-86.55	377.86	9.98	-76.57
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=C(C(=O)[O-])SC=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773715	1	47	0.0	-84.93	388.44	10.78	-74.15
CCCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005773717	1	52	0.0	-55.24	407.34	10.04	-45.20
CCCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005773717	1	52	0.0	-52.74	392.48	9.35	-43.39
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])N2C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773718	1	51	0.0	-84.00	393.43	9.19	-74.81
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])N2C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773718	1	51	0.0	-81.30	403.93	10.05	-71.25
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC=CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773719	1	51	0.0	-58.46	388.48	9.59	-48.87
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC=CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773719	1	51	0.0	-57.93	397.94	10.35	-47.58
CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2(CC(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773721	1	53	0.0	-70.45	403.79	9.82	-60.63
CC(C)[N@H+]1CC[C@@H](NC(=O)CC2(CC(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773721	1	53	0.0	-70.55	414.71	10.57	-59.98
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=CSC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773722	1	46	0.0	-64.38	380.37	7.10	-57.28
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=CSC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773722	1	46	0.0	-63.51	390.85	7.98	-55.53
COC(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005773723	1	47	0.0	-56.52	376.37	8.56	-47.96
COC(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005773723	1	47	0.0	-59.99	367.37	7.76	-52.23
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773724	1	50	0.0	-86.60	381.17	10.16	-76.44
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773724	1	50	0.0	-83.86	389.73	10.85	-73.01
CC(C)[N@@H+]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)CO3)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773725	1	52	0.0	-75.38	400.86	7.52	-67.86
CC(C)[N@H+]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)CO3)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773725	1	52	0.0	-72.38	411.23	8.42	-63.96
CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773726	1	46	0.0	-81.81	351.78	8.65	-73.16
CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773726	1	46	0.0	-77.88	362.09	9.52	-68.36
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773727	1	50	0.0	-52.67	377.20	9.23	-43.44
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773727	1	50	0.0	-50.71	387.49	10.12	-40.59
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2=C(C(=O)[O-])C=NN2C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773728	1	50	0.0	-78.73	396.63	7.43	-71.30
CC(C)[N@H+]1CC[C@@H](NC(=O)C2=C(C(=O)[O-])C=NN2C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773728	1	50	0.0	-74.89	406.90	8.26	-66.63
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005773729	1	51	0.0	-56.41	390.68	9.43	-46.98
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005773729	1	51	0.0	-62.82	403.36	10.24	-52.58
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773731	1	56	0.0	-52.65	418.10	10.09	-42.56
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773731	1	56	0.0	-53.15	430.48	10.96	-42.19
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773732	1	53	0.0	-70.66	398.03	9.61	-61.05
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005773732	1	53	0.0	-69.67	407.68	10.37	-59.30
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773734	1	47	0.0	-56.69	373.13	8.98	-47.71
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773734	1	47	0.0	-57.50	383.66	9.83	-47.67
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773735	1	47	0.0	-56.69	373.13	8.98	-47.71
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773735	1	47	0.0	-57.50	383.66	9.83	-47.67
CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773736	1	55	0.0	-78.00	409.69	9.84	-68.16
CC(C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773736	1	55	0.0	-79.36	420.13	10.71	-68.65
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773737	1	53	0.0	-88.96	409.00	9.96	-79.00
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773737	1	53	0.0	-85.77	419.48	10.82	-74.95
CC(C)[N@@H+]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773738	1	51	0.0	-77.40	404.68	10.10	-67.30
CC(C)[N@H+]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773738	1	51	0.0	-78.84	414.31	10.85	-67.99
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773739	1	50	0.0	-54.89	390.15	9.42	-45.47
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773739	1	50	0.0	-53.30	397.79	10.26	-43.04
CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773740	1	49	0.0	-80.13	380.33	9.62	-70.51
CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773740	1	49	0.0	-80.94	390.69	10.51	-70.43
CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773741	1	55	0.0	-78.00	409.69	9.84	-68.16
CC(C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773741	1	55	0.0	-79.36	420.13	10.71	-68.65
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773742	1	49	0.0	-80.33	387.33	9.03	-71.30
CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773742	1	49	0.0	-81.92	397.72	9.89	-72.03
CC(C)[N@H+]1CC[C@@H](NC(=O)CC(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773743	1	52	0.0	-80.56	410.46	10.32	-70.24
CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773743	1	52	0.0	-82.80	399.88	9.47	-73.33
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773745	1	53	0.0	-60.96	404.66	10.07	-50.89
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773745	1	53	0.0	-63.46	415.06	10.95	-52.51
CC(C)[N@@H+]1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773746	1	47	0.0	-82.33	379.51	8.27	-74.06
CC(C)[N@H+]1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773746	1	47	0.0	-83.60	390.05	9.12	-74.48
CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773747	1	55	0.0	-83.43	419.19	10.07	-73.36
CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773747	1	55	0.0	-84.77	428.89	10.83	-73.94
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773748	1	53	0.0	-88.96	409.00	9.96	-79.00
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773748	1	53	0.0	-85.77	419.48	10.82	-74.95
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773749	1	50	0.0	-80.37	387.96	10.59	-69.78
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773749	1	50	0.0	-53.33	399.39	10.27	-43.06
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773750	1	50	0.0	-80.37	387.96	10.59	-69.78
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773750	1	50	0.0	-53.33	399.39	10.27	-43.06
CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773751	1	47	0.0	-83.34	373.57	9.97	-73.37
CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005773751	1	47	0.0	-60.17	385.79	9.69	-50.48
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CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005776572	0	56	0.0	-59.18	376.77	7.42	-51.76
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CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005776680	1	48	0.0	-72.83	364.62	7.72	-65.11
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CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005776801	0	55	0.0	-64.78	404.32	10.75	-54.03
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005776801	1	55	0.0	-64.63	406.71	10.85	-53.78
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CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCCC[NH+]1CCOCC1	REAL300005780634	1	52	0.0	-66.82	379.51	7.20	-59.62
CC[N@H+](CC1=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C1)C(C)C	REAL300005780635	0	57	0.0	-67.90	404.37	10.56	-57.34
CC[N@@H+](CC1=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C1)C(C)C	REAL300005780635	1	57	0.0	-68.43	398.77	10.30	-58.13
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005780652	0	52	0.0	-59.97	384.78	10.00	-49.97
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005780652	1	52	0.0	-59.49	384.84	10.02	-49.47
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005780653	0	53	0.0	-65.72	385.06	9.52	-56.20
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005780676	0	56	0.0	-58.89	372.90	7.37	-51.52
CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300005780679	0	51	0.0	-49.74	376.34	9.60	-40.14
CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300005780679	1	51	0.0	-50.30	376.02	9.60	-40.70
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005780687	0	58	0.0	-64.29	424.92	11.67	-52.62
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005780687	1	58	0.0	-61.93	424.88	11.67	-50.26
C[NH+](C)CC1=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=N1	REAL300005780704	0	47	0.0	-68.44	355.18	7.25	-61.19
CCC[NH+](CCC)CCCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C	REAL300005780711	0	56	0.0	-61.18	403.80	9.83	-51.35
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005780729	0	52	0.0	-71.40	384.22	10.27	-61.13
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CC1C[NH+](CC2=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C2)CC(C)O1	REAL300005780747	1	59	0.0	-75.60	434.23	10.00	-65.60
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CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005780784	1	48	0.0	-71.03	364.64	7.72	-63.31
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CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005780881	0	54	0.0	-61.66	389.74	9.29	-52.37
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005780881	1	54	0.0	-59.70	390.72	9.25	-50.45
CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005780886	1	52	0.0	-52.66	376.29	10.18	-42.48
CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005780886	1	52	0.0	-50.29	376.70	10.13	-40.16
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005780905	0	55	0.0	-64.45	406.31	10.85	-53.60
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005780905	1	55	0.0	-65.54	406.06	10.84	-54.70
C[NH+](C)CCN1C=CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=N1	REAL300005780916	0	48	0.0	-75.34	365.92	7.14	-68.20
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H](CC(=O)[O-])C(C)(C)C	REAL300005780917	0	48	0.0	-54.57	360.41	7.11	-47.46
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C	REAL300005780918	1	49	0.0	-53.88	367.19	8.83	-45.05
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005780929	0	55	0.0	-63.26	398.61	11.06	-52.20
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005780929	1	55	0.0	-56.42	402.22	11.08	-45.34
CC(C[NH+]1CCOCC1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C	REAL300005780933	0	49	0.0	-58.88	352.57	6.35	-52.53
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005780934	0	56	0.0	-61.12	411.77	8.37	-52.75
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)CC1	REAL300005780970	1	55	0.0	-67.12	403.03	9.18	-57.94
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005780971	0	55	0.0	-58.93	387.22	9.56	-49.37
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005780971	1	55	0.0	-58.60	386.76	9.55	-49.05
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=C2)CC1	REAL300005780996	0	57	0.0	-70.27	418.06	8.54	-61.73
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300005780997	0	57	0.0	-71.28	418.03	8.54	-62.74
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300005780997	1	57	0.0	-74.05	417.47	8.42	-65.63
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C1	REAL300005780998	0	58	0.0	-72.55	424.38	10.25	-62.30
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005781076	0	59	0.0	-75.70	432.63	8.28	-67.42
C[NH+](C)CC1=CC=CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=C1	REAL300005781080	0	48	0.0	-67.75	359.43	9.11	-58.64
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005781081	0	55	0.0	-57.70	392.20	10.99	-46.71
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005781081	1	55	0.0	-57.99	402.34	10.80	-47.19
CC[NH+]1CCN(CCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)CC1	REAL300005781122	0	53	0.0	-66.31	378.68	6.12	-60.19
CCN1CC[NH+](CCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)CC1	REAL300005781122	1	53	0.0	-57.73	379.34	6.23	-51.50
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C	REAL300005781128	1	49	0.0	-54.29	366.65	8.77	-45.52
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=CC=C1N2	REAL300005781174	1	53	0.0	-75.84	394.18	9.56	-66.28
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=CC=C1N2	REAL300005781174	1	53	0.0	-76.00	394.39	9.53	-66.47
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)O1	REAL300005781214	0	51	0.0	-66.04	377.05	8.52	-57.52
CC1=CC=C(N2CCC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)CC2)[NH+]=C1	REAL300005781215	1	54	0.0	-61.92	395.27	8.69	-53.23
C[N@H+](CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)CC1=CC=CC=C1	REAL300005781216	1	48	0.0	-54.99	357.90	9.21	-45.78
C[N@@H+](CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)CC1=CC=CC=C1	REAL300005781216	1	48	0.0	-55.67	357.95	9.21	-46.46
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300005781219	0	60	0.0	-74.38	427.40	9.49	-64.89
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005781228	1	43	0.0	-71.93	340.53	7.07	-64.86
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](CC(=O)[O-])C(C)(C)C	REAL300005781255	0	55	0.0	-61.35	404.98	10.59	-50.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](CC(=O)[O-])C(C)(C)C	REAL300005781255	1	55	0.0	-63.60	392.71	10.47	-53.13
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C1	REAL300005781272	0	56	0.0	-74.21	423.72	10.09	-64.12
C[NH+]1CCC(OCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)CC1	REAL300005781283	0	49	0.0	-69.12	361.19	7.61	-61.51
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005781287	0	52	0.0	-66.58	386.31	9.22	-57.36
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C[NH+]1CCC(CO)CC1	REAL300005781433	1	49	0.0	-52.99	355.04	4.80	-48.19
C[N@@H+]1CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C(C(F)(F)F)C1	REAL300005781588	0	45	0.0	-71.71	345.59	7.35	-64.36
C[N@H+]1CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C(C(F)(F)F)C1	REAL300005781588	1	45	0.0	-56.86	345.74	7.36	-49.50
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=C1	REAL300005781929	0	51	0.0	-70.77	381.88	9.93	-60.84
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C1	REAL300005781934	0	52	0.0	-74.10	389.17	8.92	-65.18
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005782006	0	58	0.0	-64.13	421.00	11.56	-52.57
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C2)CCO1	REAL300005782008	1	56	0.0	-73.66	406.74	9.29	-64.37
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C2)CCO1	REAL300005782008	1	56	0.0	-73.78	406.79	9.28	-64.50
CC1=[NH+]C=C2C=CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=CN21	REAL300005782031	0	43	0.0	-59.05	332.82	8.91	-50.14
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C1	REAL300005782068	0	54	0.0	-56.83	382.42	9.32	-47.51
CC(C)C[N@H+]1CCCC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C1	REAL300005782068	1	54	0.0	-58.35	382.40	9.33	-49.02
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782081	1	50	0.0	-54.98	372.39	8.88	-46.10
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782081	1	50	0.0	-50.22	395.30	10.06	-40.16
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782082	1	50	0.0	-54.98	372.39	8.88	-46.10
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782082	1	50	0.0	-50.22	395.30	10.06	-40.16
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782083	1	53	0.0	-54.38	385.78	9.25	-45.13
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782083	1	53	0.0	-51.56	409.25	10.50	-41.06
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782084	1	52	0.0	-77.41	379.98	9.53	-67.88
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782084	1	52	0.0	-78.33	402.65	10.73	-67.60
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782085	1	52	0.0	-83.90	387.92	8.90	-75.00
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782085	1	52	0.0	-76.17	405.23	10.28	-65.89
CC(CC(=O)[O-])CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782086	1	55	0.0	-79.69	397.57	9.38	-70.31
CC(CC(=O)[O-])CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782086	1	55	0.0	-77.56	417.74	10.72	-66.84
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782087	1	50	0.0	-80.64	379.15	8.13	-72.51
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782087	1	50	0.0	-80.34	397.69	9.52	-70.82
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782088	1	53	0.0	-80.55	384.50	10.31	-70.24
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782088	1	53	0.0	-78.89	405.36	11.75	-67.14
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782089	1	53	0.0	-80.55	384.50	10.31	-70.24
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782089	1	53	0.0	-78.89	405.36	11.75	-67.14
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782090	1	50	0.0	-60.21	372.09	8.84	-51.37
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782090	1	50	0.0	-76.41	389.50	11.11	-65.30
CCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782091	1	52	0.0	-55.96	383.76	8.72	-47.24
CCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782091	1	52	0.0	-55.02	407.46	9.96	-45.06
CC(C)C(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782092	1	55	0.0	-53.79	399.74	9.28	-44.51
CC(C)C(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782092	1	55	0.0	-51.34	419.66	10.67	-40.67
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782093	1	50	0.0	-77.21	376.17	8.85	-68.36
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782093	1	50	0.0	-70.73	399.09	10.04	-60.69
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782094	1	53	0.0	-89.18	388.84	9.16	-80.02
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782094	1	53	0.0	-80.00	410.37	10.63	-69.37
CCCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782095	1	55	0.0	-53.56	397.32	9.55	-44.01
CCCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782095	1	55	0.0	-49.77	419.81	10.93	-38.84
COC(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782096	1	50	0.0	-62.04	371.94	7.82	-54.22
COC(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782096	1	50	0.0	-54.38	398.73	9.21	-45.17
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782097	1	53	0.0	-93.10	389.80	9.39	-83.71
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782097	1	53	0.0	-48.06	418.21	10.64	-37.42
CC(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782098	1	49	0.0	-78.52	362.21	9.01	-69.51
CC(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782098	1	49	0.0	-75.69	381.16	10.29	-65.40
CC1CC1(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782099	1	53	0.0	-56.90	386.65	9.59	-47.31
CC1CC1(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005782099	1	53	0.0	-46.99	409.16	10.79	-36.20
CC1CCCC1N(CCC1=CC=CC=N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005782233	0	58	0.0	-48.79	415.93	12.02	-36.77
CC1CCCC1N(CCC1=CC=CC=N1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005782233	1	58	0.0	-49.07	421.78	11.41	-37.66
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300005783272	0	54	0.0	-78.06	412.43	12.77	-65.29
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300005783834	0	51	0.0	-71.76	397.58	12.38	-59.38
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300005783834	1	51	0.0	-70.57	392.26	11.96	-58.61
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300005784674	0	48	0.0	-73.31	361.09	10.45	-62.86
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300005784699	0	45	0.0	-67.24	347.37	9.83	-57.41
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300005784699	1	45	0.0	-67.84	345.38	10.04	-57.80
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=CC(F)=C(C(=O)[O-])C=C4C3)CN12	REAL300005784705	1	46	0.0	-80.30	364.20	10.48	-69.82
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300005784706	0	54	0.0	-68.63	405.90	12.22	-56.41
C[N@@H+]1CCCCC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005784786	0	44	0.0	-73.86	328.82	9.11	-64.75
C[N@H+]1CCCCC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005784786	1	44	0.0	-70.62	336.48	9.45	-61.17
CC(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)N1CC[NH+](C)CC1	REAL300005784787	1	49	0.0	-74.73	365.72	7.50	-67.23
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005784827	0	44	0.0	-68.43	336.54	9.45	-58.98
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005784827	1	44	0.0	-70.38	325.12	8.95	-61.43
C[NH+]1CCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005784914	0	44	0.0	-76.06	336.21	9.25	-66.81
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300005784944	0	39	0.0	-75.98	330.99	11.21	-64.77
C[NH+](C)CC1(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CCCCC1	REAL300005784978	0	53	0.0	-77.26	370.00	11.30	-65.96
C[N@H+](CCC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1CCCCC1	REAL300005784983	0	53	0.0	-74.26	394.58	11.53	-62.73
C[N@@H+](CCC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1CCCCC1	REAL300005784983	1	53	0.0	-74.67	394.58	11.52	-63.15
C[N@@H+]1CCCC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785000	0	41	0.0	-73.13	314.95	8.42	-64.71
C[N@H+]1CCCC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785000	1	41	0.0	-69.84	314.57	8.39	-61.45
C[NH+]1CCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785056	0	44	0.0	-76.06	336.21	9.25	-66.81
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300005785060	0	47	0.0	-74.65	384.20	10.15	-64.50
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300005785080	0	54	0.0	-68.89	390.07	12.29	-56.60
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300005785080	1	54	0.0	-68.68	387.45	11.49	-57.19
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300005785081	0	55	0.0	-76.14	403.46	9.83	-66.31
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785117	1	45	0.0	-71.58	367.14	10.82	-60.76
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CCCC[NH+]1CCOCC1)C2	REAL300005785118	1	51	0.0	-76.99	394.44	9.50	-67.49
CC[N@H+](CC1=CC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C=C1)C(C)C	REAL300005785121	0	56	0.0	-70.98	417.47	12.45	-58.53
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C=C1)C(C)C	REAL300005785121	1	56	0.0	-73.68	412.27	12.20	-61.48
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785124	0	41	0.0	-72.33	314.57	8.44	-63.89
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785124	1	41	0.0	-83.05	321.58	8.82	-74.23
C[NH+](C)C1(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785133	0	41	0.0	-68.63	318.81	8.39	-60.24
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005785179	0	51	0.0	-89.31	400.09	12.28	-77.03
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005785179	1	51	0.0	-74.78	397.29	12.20	-62.58
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300005785180	0	52	0.0	-81.03	395.49	11.48	-69.55
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2	REAL300005785204	0	55	0.0	-73.98	392.93	9.78	-64.20
CCC(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+](CC)CC	REAL300005785208	0	49	0.0	-67.54	358.36	10.10	-57.44
CC(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300005785210	0	50	0.0	-71.99	389.27	11.83	-60.16
CC(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005785210	1	50	0.0	-73.31	389.19	11.79	-61.52
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C=N1	REAL300005785243	0	46	0.0	-73.05	369.40	9.17	-63.88
CCC[NH+](CCC)CCCC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785249	0	55	0.0	-74.19	418.73	12.12	-62.07
CC[N@H+](C)C(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1=CC=CC=C1	REAL300005785250	0	50	0.0	-70.07	385.13	11.73	-58.34
CC[N@@H+](C)C(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1=CC=CC=C1	REAL300005785250	1	50	0.0	-66.23	384.50	11.78	-54.45
C[N@@H+]1CCOC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005785252	1	42	0.0	-80.01	328.89	8.12	-71.89
C[N@H+]1CCOC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005785252	1	42	0.0	-73.84	330.03	8.18	-65.66
CC[NH+](CC)C(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1=CC=CC=C1	REAL300005785254	0	53	0.0	-66.48	393.15	12.11	-54.37
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785263	1	45	0.0	-69.05	361.86	10.62	-58.43
C[NH+](C)C(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1=CC=C(Cl)C=C1	REAL300005785268	1	47	0.0	-71.95	381.25	11.61	-60.34
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300005785281	0	51	0.0	-77.05	396.46	12.12	-64.93
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300005785288	0	54	0.0	-75.16	415.40	12.91	-62.25
C[NH+](C)CC1(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785292	0	44	0.0	-67.78	344.85	9.45	-58.33
C[NH+](C)CCCCC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785301	0	46	0.0	-75.13	361.53	10.05	-65.08
CC(C)C(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005785310	0	46	0.0	-68.86	339.29	9.38	-59.48
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300005785323	0	54	0.0	-69.90	413.04	13.00	-56.90
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300005785323	1	54	0.0	-72.62	405.47	12.67	-59.95
CC1=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C=NN1C1=CC=[NH+]C=C1	REAL300005785325	1	45	0.0	-81.55	371.22	9.43	-72.12
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300005785333	0	54	0.0	-76.25	415.38	12.92	-63.33
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300005785346	1	47	0.0	-80.71	377.87	10.34	-70.37
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C=C1	REAL300005785347	0	50	0.0	-75.87	396.32	11.91	-63.96
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785358	1	43	0.0	-65.87	347.41	8.50	-57.37
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300005785360	1	52	0.0	-80.74	405.67	11.69	-69.05
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300005785360	1	52	0.0	-79.42	398.72	11.48	-67.94
CCC[N@H+](C)CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785369	0	43	0.0	-73.56	335.40	9.27	-64.29
CCC[N@@H+](C)CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785369	1	43	0.0	-73.57	335.38	9.26	-64.31
C[N@H+](CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1CCC1	REAL300005785391	0	44	0.0	-71.63	342.28	9.83	-61.80
C[N@@H+](CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1CCC1	REAL300005785391	1	44	0.0	-71.42	342.41	9.85	-61.57
CC(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+]1CCSCC1	REAL300005785415	1	45	0.0	-73.69	352.97	9.75	-63.94
C[N@H+](CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)CC(C)(C)C	REAL300005785420	0	49	0.0	-73.09	364.00	10.26	-62.83
C[N@@H+](CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)CC(C)(C)C	REAL300005785420	1	49	0.0	-72.64	365.95	10.42	-62.22
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785422	0	50	0.0	-77.99	395.28	12.29	-65.70
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785422	1	50	0.0	-78.05	395.31	12.29	-65.76
COCCOCC[N@H+](C)CCC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785423	0	54	0.0	-74.93	424.34	8.57	-66.36
COCCOCC[N@@H+](C)CCC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785423	1	54	0.0	-76.22	424.32	8.55	-67.67
CC[C@@H](C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005785427	0	43	0.0	-70.54	327.16	8.91	-61.63
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005785429	0	48	0.0	-72.77	363.62	8.32	-64.45
C[N@H+]1CCCC(O)(CC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005785429	1	48	0.0	-73.55	353.94	8.16	-65.39
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C2	REAL300005785450	1	53	0.0	-73.80	396.67	10.79	-63.01
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C2	REAL300005785450	1	53	0.0	-76.68	400.18	10.98	-65.70
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C2	REAL300005785451	1	53	0.0	-73.08	396.59	10.65	-62.43
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C2	REAL300005785451	1	53	0.0	-76.20	400.43	10.91	-65.29
CCCCCC[N@H+](C)CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785453	0	52	0.0	-74.79	399.87	11.60	-63.19
CCCCCC[N@@H+](C)CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785453	1	52	0.0	-74.76	399.88	11.60	-63.16
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300005785463	0	45	0.0	-68.29	334.30	9.21	-59.08
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300005785471	1	39	0.0	-75.83	331.13	11.24	-64.59
C[N@H+](CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1CCSC1	REAL300005785484	0	45	0.0	-79.56	355.66	10.09	-69.47
C[N@@H+](CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1CCSC1	REAL300005785484	1	45	0.0	-78.28	355.45	10.10	-68.18
CC(C)[NH+]1CCN(CCC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785501	0	55	0.0	-72.40	411.52	9.08	-63.32
CC(C)N1CC[NH+](CCC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785501	1	55	0.0	-74.69	408.01	8.89	-65.80
CC(C)[NH+]1CCN(CCCC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785502	0	58	0.0	-72.20	433.02	9.89	-62.31
CC(C)N1CC[NH+](CCCC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785502	1	58	0.0	-75.12	429.81	9.72	-65.40
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300005785503	0	48	0.0	-66.86	361.36	10.57	-56.29
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300005785503	1	48	0.0	-66.00	356.17	10.41	-55.59
C[NH+](C)CCN1C=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C=N1	REAL300005785505	0	47	0.0	-81.89	376.72	8.98	-72.91
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300005785516	0	53	0.0	-78.70	407.76	11.01	-67.69
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300005785516	1	53	0.0	-91.04	411.33	11.19	-79.85
CC(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005785521	0	51	0.0	-73.74	391.77	12.19	-61.55
CC(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005785521	1	51	0.0	-72.77	386.90	12.09	-60.68
CCC(CC)C(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+]1CCOCC1	REAL300005785539	1	57	0.0	-70.34	402.76	9.78	-60.56
CCCC(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005785540	0	46	0.0	-70.84	348.69	9.68	-61.16
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005785541	0	54	0.0	-77.24	419.34	13.08	-64.16
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005785541	1	54	0.0	-77.42	421.74	13.16	-64.26
C[NH+](C)CCN1C=CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)=N1	REAL300005785556	0	47	0.0	-77.64	378.06	9.68	-67.96
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785557	0	47	0.0	-75.13	372.18	9.03	-66.10
C[C@@H]1[C@H](C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC[N@@H+]1C	REAL300005785560	0	44	0.0	-72.08	332.30	9.17	-62.91
C[C@@H]1[C@H](C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC[N@H+]1C	REAL300005785560	1	44	0.0	-71.62	337.59	9.09	-62.53
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785562	1	48	0.0	-67.55	382.10	11.13	-56.42
CC[C@@H]1[C@@H](C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC[N@@H+]1C	REAL300005785565	0	47	0.0	-88.72	352.27	9.44	-79.28
CC[C@@H]1[C@@H](C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC[N@H+]1C	REAL300005785565	1	47	0.0	-71.91	361.17	10.11	-61.80
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)=NN1	REAL300005785567	1	48	0.0	-79.11	379.18	9.23	-69.88
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)=NN1	REAL300005785567	1	48	0.0	-79.21	371.60	8.64	-70.57
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785568	1	43	0.0	-68.72	341.43	9.62	-59.10
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785568	1	43	0.0	-69.61	344.61	9.95	-59.66
CC1C[N@H+](C)CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)O1	REAL300005785574	1	45	0.0	-80.48	342.84	8.41	-72.07
CC1C[N@@H+](C)CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)O1	REAL300005785574	1	45	0.0	-80.13	350.08	8.83	-71.30
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C2	REAL300005785581	1	50	0.0	-68.82	393.16	10.75	-58.07
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C2	REAL300005785581	1	50	0.0	-69.39	388.04	10.16	-59.23
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C[NH+]1CCCC1)C2	REAL300005785584	0	41	0.0	-72.43	320.33	8.97	-63.46
CC1=[NH+]C=CN1CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785586	1	39	0.0	-70.94	324.61	9.46	-61.48
CC(C[NH+]1CCOCC1)C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785588	0	48	0.0	-74.32	362.97	8.32	-66.00
CC1CC[NH+](CC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785607	0	47	0.0	-73.19	358.85	10.35	-62.84
CC[N@@H+]1CCOC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005785618	1	45	0.0	-89.02	340.23	8.60	-80.42
CC[N@H+]1CCOC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005785618	1	45	0.0	-76.16	339.76	8.59	-67.57
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300005785655	0	54	0.0	-71.50	398.19	11.65	-59.85
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300005785655	1	54	0.0	-71.51	401.19	11.77	-59.74
C[N@@H+]1CCCC1CCC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785661	0	47	0.0	-73.76	357.94	9.95	-63.81
C[N@H+]1CCCC1CCC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785661	1	47	0.0	-72.94	358.09	9.95	-62.99
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300005785674	0	48	0.0	-75.05	344.52	9.55	-65.50
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785676	0	45	0.0	-72.42	336.60	5.67	-66.75
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785676	1	45	0.0	-68.05	332.72	5.44	-62.61
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300005785677	0	48	0.0	-67.47	355.50	10.34	-57.13
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300005785677	1	48	0.0	-68.91	355.81	10.30	-58.61
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785684	0	51	0.0	-87.41	365.19	8.39	-79.02
CC[NH+](CC)CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785700	0	43	0.0	-71.83	332.23	9.21	-62.62
CC(C)[NH+]1CCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785702	0	50	0.0	-72.96	370.55	10.43	-62.53
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C13CC[NH+](CC1)C3)C2	REAL300005785783	0	42	0.0	-90.04	319.33	8.09	-81.95
CCC(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005785786	0	43	0.0	-70.09	323.01	8.74	-61.35
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300005785794	0	45	0.0	-73.59	328.47	8.70	-64.89
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300005785794	1	45	0.0	-72.47	329.75	8.73	-63.74
CC1CCC(C)[NH+]1CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785839	0	47	0.0	-69.46	353.11	9.88	-59.58
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)=C1	REAL300005785840	0	47	0.0	-78.04	372.55	10.98	-67.06
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005785841	0	54	0.0	-83.24	407.71	13.06	-70.18
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005785841	1	54	0.0	-87.10	416.36	12.94	-74.16
C[NH+](C)C1(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CCC1	REAL300005785879	0	44	0.0	-67.20	325.52	8.82	-58.38
C#CC[NH+]1CCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785908	0	46	0.0	-76.95	361.42	10.44	-66.51
CCC[N@@H+]1CCCCC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785910	0	50	0.0	-71.90	368.15	10.50	-61.40
CCC[N@H+]1CCCCC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785910	1	50	0.0	-69.05	364.31	10.34	-58.71
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785911	0	47	0.0	-74.09	370.86	11.04	-63.05
CC[NH+]1CCN(CCC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785913	0	52	0.0	-73.99	394.76	8.57	-65.42
CCN1CC[NH+](CCC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005785913	1	52	0.0	-74.76	394.77	8.57	-66.19
CC(C)[N@H+](C)CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785914	0	43	0.0	-71.26	330.58	9.04	-62.22
CC(C)[N@@H+](C)CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785914	1	43	0.0	-70.86	330.63	9.07	-61.79
CC(C)C(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+]1CCCCC1	REAL300005785915	0	53	0.0	-65.67	380.77	11.19	-54.48
C[NH+](C)C(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1=CC=CC=C1	REAL300005785916	1	47	0.0	-68.55	364.44	11.06	-57.49
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005785920	0	52	0.0	-76.61	407.40	9.24	-67.37
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005785920	1	52	0.0	-86.07	403.37	9.31	-76.76
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785925	1	48	0.0	-67.16	381.58	11.06	-56.10
C[NH+](C)CC1=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)OC2=CC=CC=C21	REAL300005785927	0	50	0.0	-75.74	392.84	11.65	-64.09
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300005785933	0	51	0.0	-68.50	368.31	11.38	-57.12
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300005785933	1	51	0.0	-68.19	375.65	11.09	-57.10
CC[N@H+](CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1CC1	REAL300005785935	0	44	0.0	-71.67	337.30	9.46	-62.21
CC[N@@H+](CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)C1CC1	REAL300005785935	1	44	0.0	-70.73	342.62	9.86	-60.87
CC(C)C(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+]1CC(C)OC(C)C1	REAL300005785962	1	57	0.0	-70.84	415.01	10.34	-60.50
CC(C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+]1CCCCCC1	REAL300005785963	0	50	0.0	-69.56	363.62	10.19	-59.37
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785967	0	41	0.0	-69.64	318.77	8.68	-60.96
C[N@H+]1CCC[C@H]1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005785967	1	41	0.0	-69.78	314.63	8.41	-61.37
CC(C)(C)[NH2+]CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005786050	0	43	0.0	-72.73	335.12	7.58	-65.15
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)O1	REAL300005786052	0	50	0.0	-69.82	392.20	11.04	-58.78
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CCCC[NH+]1CCCC1)C2	REAL300005786053	0	50	0.0	-73.74	387.47	11.23	-62.51
CC1=CC=C(N2CCC(C(=O)N3CCC4=CC(F)=C(C(=O)[O-])C=C4C3)CC2)[NH+]=C1	REAL300005786055	1	53	0.0	-69.35	405.70	10.66	-58.69
C[N@H+](CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)CC1=CC=CC=C1	REAL300005786056	1	47	0.0	-77.08	372.83	11.44	-65.64
C[N@@H+](CC(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)CC1=CC=CC=C1	REAL300005786056	1	47	0.0	-76.92	372.79	11.45	-65.47
CC(C)[C@@H](C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1)[NH+](C)C	REAL300005786067	0	46	0.0	-69.93	338.69	9.55	-60.38
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300005786085	1	42	0.0	-81.53	351.72	8.94	-72.59
C[NH+](C)CC1=CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)=NO1	REAL300005786113	1	43	0.0	-82.28	352.51	9.19	-73.09
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005786117	0	54	0.0	-75.50	416.42	13.04	-62.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005786117	1	54	0.0	-76.05	416.53	13.02	-63.03
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005786130	0	47	0.0	-67.92	351.74	9.79	-58.13
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005786130	1	47	0.0	-67.13	342.67	10.04	-57.09
C[NH+]1CCC(OCC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005786153	0	48	0.0	-78.42	376.12	10.03	-68.39
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300005786157	0	51	0.0	-72.76	398.47	11.55	-61.21
CCC[N@@H+]1CCCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005786343	0	50	0.0	-69.62	369.34	10.81	-58.81
CCC[N@H+]1CCCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005786343	1	50	0.0	-72.00	375.41	10.61	-61.39
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005786374	0	50	0.0	-70.18	367.48	11.01	-59.17
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005786374	1	50	0.0	-68.82	362.79	10.81	-58.01
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C[NH+]1CCC(CO)CC1)C2	REAL300005786375	0	48	0.0	-74.93	369.68	7.03	-67.90
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005786600	0	50	0.0	-71.95	374.64	10.55	-61.40
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005786600	1	50	0.0	-70.20	370.51	10.37	-59.83
C[N@@H+]1CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C(C(F)(F)F)C1	REAL300005786601	0	44	0.0	-80.88	344.89	9.59	-71.29
C[N@H+]1CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C(C(F)(F)F)C1	REAL300005786601	1	44	0.0	-83.32	345.51	9.36	-73.96
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)N1	REAL300005786627	1	45	0.0	-68.10	366.40	9.19	-58.91
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)=C1	REAL300005787111	0	50	0.0	-77.90	395.09	11.82	-66.08
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C=C1	REAL300005787118	0	51	0.0	-77.37	402.25	10.77	-66.60
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005787254	0	44	0.0	-75.39	345.51	9.59	-65.80
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)CC1	REAL300005787258	0	50	0.0	-73.86	364.02	10.25	-63.61
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005787323	0	53	0.0	-71.56	392.85	11.29	-60.27
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005787323	1	53	0.0	-71.56	392.85	11.29	-60.27
CC[N@@H+]1CCCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005787324	0	47	0.0	-73.13	348.50	9.94	-63.19
CC[N@H+]1CCCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005787324	1	47	0.0	-73.13	348.50	9.94	-63.19
C[N@@H+]1CCCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005787329	0	44	0.0	-73.04	336.28	9.23	-63.81
C[N@H+]1CCCC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005787329	1	44	0.0	-73.04	336.28	9.23	-63.81
CN(C)CC1=CC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)O1	REAL300005787331	0	44	0.0	-73.55	357.49	9.68	-63.87
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)O1	REAL300005787331	1	44	0.0	-73.55	357.49	9.68	-63.87
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005787337	0	53	0.0	-89.78	368.40	10.00	-79.78
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C1	REAL300005787337	1	53	0.0	-89.78	368.40	10.00	-79.78
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C[N@H+](CCC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1CCCCC1	REAL300005789852	0	50	0.0	-40.88	354.64	9.92	-30.96
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O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CCCC[NH+]1CCOCC1	REAL300005789954	1	48	0.0	-56.13	354.48	7.91	-48.22
CC[N@H+](CC1=CC=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300005789955	0	53	0.0	-62.14	381.68	11.00	-51.14
CC[N@@H+](CC1=CC=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300005789955	1	53	0.0	-63.31	374.78	10.80	-52.51
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O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005789972	0	49	0.0	-52.36	354.64	9.73	-42.63
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005789994	0	52	0.0	-45.30	352.95	8.16	-37.14
CC(C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005789997	0	47	0.0	-67.97	352.32	10.75	-57.22
CC(C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005789997	1	47	0.0	-30.25	348.81	10.18	-20.07
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O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005790005	1	54	0.0	-38.14	388.57	12.44	-25.70
C[NH+](C)CC1=CC=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=N1	REAL300005790022	0	43	0.0	-58.53	330.86	7.65	-50.88
CCC[NH+](CCC)CCCC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300005790029	0	52	0.0	-49.43	378.80	10.53	-38.90
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005790047	0	48	0.0	-57.39	359.45	10.56	-46.83
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005790052	0	51	0.0	-57.11	375.00	11.24	-45.87
CCN1CCC([NH+]2CCC(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])CC2)CC1	REAL300005790058	0	59	0.0	-83.99	413.30	9.25	-74.74
CC1C[NH+](CC2=CC=C(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300005790065	1	55	0.0	-62.08	408.67	10.33	-51.75
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O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005790092	0	51	0.0	-64.85	376.69	11.33	-53.52
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005790102	1	44	0.0	-68.31	339.88	8.87	-59.44
C[NH+](C)CCC1=CC=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300005790103	0	47	0.0	-72.06	357.56	10.34	-61.72
CC(C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005790117	0	57	0.0	-65.22	415.94	13.13	-52.09
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300005790144	0	47	0.0	-38.16	355.33	10.72	-27.44
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300005790144	1	47	0.0	-38.72	355.40	10.73	-27.99
COCCOCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300005790145	0	51	0.0	-43.19	384.36	6.94	-36.25
COCCOCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300005790145	1	51	0.0	-46.87	384.40	6.94	-39.93
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CC(C)[NH+]1CCN(CCC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300005790183	0	52	0.0	-55.93	371.60	7.49	-48.44
CC(C)N1CC[NH+](CCC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300005790183	1	52	0.0	-41.80	369.17	7.37	-34.43
CC(C)[NH+]1CCN(CCCC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300005790184	0	55	0.0	-57.09	393.04	8.30	-48.79
CC(C)N1CC[NH+](CCCC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300005790184	1	55	0.0	-49.26	389.89	8.13	-41.13
C[NH+](C)CCN1C=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=N1	REAL300005790186	0	44	0.0	-69.40	334.57	7.32	-62.08
CC1=CC=CC(N2CC[NH+](CCC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])CC2)=C1	REAL300005790189	0	56	0.0	-44.37	410.46	10.32	-34.05
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O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005790194	0	50	0.0	-47.73	374.56	9.72	-38.01
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005790194	1	50	0.0	-40.41	360.92	9.81	-30.60
CC(C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005790199	1	48	0.0	-32.80	355.67	10.73	-22.07
CC(C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005790199	1	48	0.0	-36.42	349.83	10.62	-25.80
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005790218	0	51	0.0	-50.80	378.80	11.48	-39.32
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005790218	1	51	0.0	-50.39	381.00	11.53	-38.86
C[NH+](C)CCN1C=CC(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300005790229	0	44	0.0	-66.20	339.19	8.25	-57.95
C[NH+](C)CCN1N=CC=C1C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300005790230	0	44	0.0	-58.62	329.90	7.43	-51.19
CCC1=[NH+]C=CN1C(C)CC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300005790231	1	45	0.0	-44.00	342.91	9.58	-34.42
C[N@@H+]1CCCC1C1=CC(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=NN1	REAL300005790234	1	45	0.0	-62.97	334.73	7.42	-55.55
C[N@H+]1CCCC1C1=CC(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=NN1	REAL300005790234	1	45	0.0	-67.05	334.18	7.39	-59.66
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005790242	0	51	0.0	-47.99	386.04	11.55	-36.44
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005790242	1	51	0.0	-36.74	372.38	11.64	-25.10
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005790246	0	52	0.0	-44.82	386.75	9.07	-35.75
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005790279	0	51	0.0	-73.15	365.96	10.37	-62.78
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005790279	1	51	0.0	-76.35	363.52	10.33	-66.02
C[NH+]1CCN(CC2=CC=CC(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=C2)CC1	REAL300005790304	0	53	0.0	-65.15	392.01	8.80	-56.35
C[NH+]1CCN(CC2=CC=C(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)CC1	REAL300005790305	0	53	0.0	-68.57	392.13	8.83	-59.74
CN1CC[NH+](CC2=CC=C(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)CC1	REAL300005790305	1	53	0.0	-61.01	391.46	8.68	-52.33
CC[NH+](CC)CCOC1=CC=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300005790306	0	54	0.0	-67.33	399.81	10.62	-56.71
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005790377	0	55	0.0	-64.29	405.78	8.53	-55.76
C[NH+](C)CC1=CC=CC(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=C1	REAL300005790381	0	44	0.0	-59.80	333.56	9.40	-50.40
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005790382	0	51	0.0	-76.90	380.44	12.25	-64.65
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005790382	1	51	0.0	-72.64	381.00	11.80	-60.84
CC[NH+]1CCN(CCC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300005790423	0	49	0.0	-58.13	354.86	6.98	-51.15
CCN1CC[NH+](CCC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300005790423	1	49	0.0	-41.88	354.44	6.89	-34.99
CC(C)C1=[NH+]C=CN1CCC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300005790429	1	45	0.0	-42.22	345.87	9.59	-32.63
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=CC=C1N2	REAL300005790472	1	49	0.0	-73.15	370.18	9.89	-63.26
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=CC=C1N2	REAL300005790472	1	49	0.0	-71.24	368.75	9.80	-61.44
CC[NH+](CC)CC1=CC=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])O1	REAL300005790512	0	47	0.0	-55.77	349.72	9.76	-46.01
CC1=CC=C(N2CCC(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300005790513	1	50	0.0	-53.53	372.55	9.35	-44.18
C[N@H+](CC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300005790514	1	44	0.0	-35.71	332.85	9.88	-25.83
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CC[N@H+](C)C1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300005791638	0	41	0.0	-67.44	333.41	7.43	-60.01
CC[N@@H+](C)C1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300005791638	1	41	0.0	-67.39	333.41	7.43	-59.96
CC[N@H+](C)C1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300005791639	0	41	0.0	-77.97	333.59	7.56	-70.41
CC[N@@H+](C)C1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300005791639	1	41	0.0	-77.90	333.63	7.56	-70.34
CC[N@H+](C)C1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300005791640	0	41	0.0	-69.06	324.82	6.58	-62.48
CC[N@@H+](C)C1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300005791640	1	41	0.0	-68.97	324.79	6.58	-62.39
CC[N@H+](C)C1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300005791641	0	43	0.0	-80.52	343.27	7.70	-72.82
CC[N@@H+](C)C1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300005791641	1	43	0.0	-80.45	343.27	7.72	-72.73
CC[N@H+](C)C1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300005791642	0	46	0.0	-80.21	350.13	9.99	-70.22
CC[N@@H+](C)C1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300005791642	1	46	0.0	-80.34	350.12	10.01	-70.33
CC[N@H+](C)C1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)C1	REAL300005791643	0	46	0.0	-87.17	355.09	9.48	-77.69
CC[N@@H+](C)C1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)C1	REAL300005791643	1	46	0.0	-87.27	355.08	9.50	-77.77
CC[N@H+](C)C1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300005791644	0	43	0.0	-88.62	342.95	9.05	-79.57
CC[N@@H+](C)C1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300005791644	1	43	0.0	-88.65	342.94	9.06	-79.59
CC[N@H+](C)C1CCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300005791645	0	47	0.0	-72.74	356.86	9.53	-63.21
CC[N@@H+](C)C1CCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300005791645	1	47	0.0	-72.62	356.78	9.52	-63.10
CC[N@H+](C)C1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300005791646	0	50	0.0	-77.90	346.34	8.64	-69.26
CC[N@@H+](C)C1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300005791646	1	50	0.0	-78.03	346.53	8.64	-69.39
CN(CCCS(C)(=O)=O)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005791711	0	45	0.0	-57.39	359.86	4.78	-52.61
CN(CCCS(C)(=O)=O)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005791711	1	45	0.0	-59.63	353.94	4.96	-54.67
COCC1=C(F)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005791843	1	44	0.0	-51.74	346.68	7.24	-44.50
COCC1=C(F)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005791843	1	44	0.0	-50.11	341.26	7.26	-42.85
CN1N=CC=C1CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005791930	0	46	0.0	-52.28	353.75	6.49	-45.79
CN1N=CC=C1CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005791930	1	46	0.0	-50.93	351.85	6.05	-44.88
CC1CCC2=C(C1)SC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)=N2	REAL300005792047	1	49	0.0	-48.31	379.83	7.75	-40.56
CC1CCC2=C(C1)SC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)=N2	REAL300005792047	1	49	0.0	-48.81	386.57	7.79	-41.02
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005793229	0	51	0.0	-63.24	396.68	8.44	-54.80
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005793885	0	48	0.0	-57.10	373.43	7.44	-49.66
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005793885	1	48	0.0	-58.96	375.88	7.85	-51.11
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300005794785	0	45	0.0	-58.46	345.69	5.98	-52.48
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300005794810	0	42	0.0	-56.49	330.80	5.65	-50.84
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300005794810	1	42	0.0	-58.77	325.37	4.20	-54.57
CC1=[NH+]C=C2CCC(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)CN12	REAL300005794816	1	43	0.0	-59.33	346.92	5.06	-54.27
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300005794817	0	51	0.0	-58.63	395.55	8.25	-50.38
C[N@@H+]1CCCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005794897	0	41	0.0	-57.45	316.32	4.89	-52.56
C[N@H+]1CCCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005794897	1	41	0.0	-59.13	309.60	4.56	-54.57
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300005794898	1	46	0.0	-63.04	343.68	2.77	-60.27
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005794939	0	41	0.0	-56.85	316.73	3.95	-52.90
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005794939	1	41	0.0	-61.01	309.22	3.70	-57.31
CC1(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005794996	0	54	0.0	-57.39	400.35	8.33	-49.06
C[NH+]1CCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC1	REAL300005795028	0	41	0.0	-67.81	322.01	4.00	-63.81
C[N@H+](CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1CCCCC1	REAL300005795089	0	50	0.0	-64.57	375.74	6.12	-58.45
C[N@@H+](CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1CCCCC1	REAL300005795089	1	50	0.0	-64.49	375.47	7.01	-57.48
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005795105	1	48	0.0	-65.01	384.30	8.03	-56.98
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005795105	1	48	0.0	-60.99	380.22	7.45	-53.54
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300005795162	0	44	0.0	-76.08	360.76	4.57	-71.51
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300005795186	0	51	0.0	-56.93	366.81	7.08	-49.85
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300005795186	1	51	0.0	-56.36	367.62	6.06	-50.30
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300005795187	0	52	0.0	-57.41	379.42	5.35	-52.06
CC1=[NH+]C=CN1CCCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795220	1	42	0.0	-61.65	348.28	6.25	-55.40
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300005795221	1	48	0.0	-68.37	375.58	4.93	-63.44
CC[N@H+](CC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=C1)C(C)C	REAL300005795224	0	53	0.0	-74.71	397.72	7.05	-67.66
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=C1)C(C)C	REAL300005795224	1	53	0.0	-73.69	388.38	7.62	-66.07
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005795273	0	48	0.0	-65.48	379.77	7.62	-57.86
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005795273	1	48	0.0	-64.91	378.11	6.73	-58.18
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300005795274	0	49	0.0	-70.72	376.25	6.77	-63.95
C[NH+]1CCN(C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300005795300	1	53	0.0	-61.74	403.52	5.57	-56.17
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300005795301	0	52	0.0	-64.19	374.03	5.19	-59.00
CCC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[NH+](CC)CC	REAL300005795305	0	46	0.0	-53.44	337.33	4.65	-48.79
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300005795307	0	47	0.0	-61.25	371.46	7.20	-54.05
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005795307	1	47	0.0	-60.95	369.50	7.28	-53.67
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300005795319	0	54	0.0	-55.81	410.33	8.38	-47.43
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300005795319	1	54	0.0	-68.30	420.00	9.24	-59.06
C[NH+](C)CC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=N1	REAL300005795341	0	43	0.0	-75.66	345.06	3.61	-72.05
CCC[NH+](CCC)CCCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795350	0	52	0.0	-64.87	395.40	7.27	-57.60
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300005795351	1	52	0.0	-54.98	394.89	3.72	-51.26
CC[N@H+](C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1=CC=CC=C1	REAL300005795352	0	47	0.0	-58.14	360.80	7.11	-51.03
CC[N@@H+](C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1=CC=CC=C1	REAL300005795352	1	47	0.0	-56.62	361.89	6.46	-50.16
C[N@@H+]1CCOC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005795354	1	39	0.0	-63.89	309.96	2.70	-61.19
C[N@H+]1CCOC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005795354	1	39	0.0	-70.10	310.18	3.62	-66.48
CC[NH+](CC)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1=CC=CC=C1	REAL300005795357	0	50	0.0	-57.83	375.35	7.98	-49.85
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795366	1	42	0.0	-56.35	342.93	5.15	-51.20
C[NH+](C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005795371	1	44	0.0	-61.18	362.28	6.19	-54.99
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300005795384	0	48	0.0	-76.88	373.76	7.58	-69.30
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300005795392	0	51	0.0	-69.09	390.71	8.24	-60.85
C[NH+](C)CC1(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC1	REAL300005795398	0	41	0.0	-62.25	325.47	4.03	-58.22
C[NH+](C)CCCCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795408	0	43	0.0	-66.60	342.69	4.65	-61.95
CC(C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[NH+](C)C	REAL300005795417	0	43	0.0	-59.42	321.28	4.26	-55.16
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005795419	1	52	0.0	-72.62	410.48	6.98	-65.64
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005795419	1	52	0.0	-71.30	400.10	6.46	-64.84
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005795431	0	51	0.0	-56.78	392.61	7.46	-49.32
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005795431	1	51	0.0	-56.45	394.94	7.52	-48.93
CC1=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300005795433	1	42	0.0	-74.67	346.28	4.92	-69.75
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300005795441	0	51	0.0	-78.05	391.29	7.29	-70.76
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300005795455	1	44	0.0	-73.33	358.37	4.80	-68.53
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=C1	REAL300005795456	0	47	0.0	-80.61	372.10	6.22	-74.39
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795467	1	40	0.0	-58.80	326.40	3.05	-55.75
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005795469	1	49	0.0	-71.57	387.25	6.28	-65.29
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005795469	1	49	0.0	-59.59	379.27	6.14	-53.45
C[N@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1CCC1	REAL300005795500	0	41	0.0	-58.02	323.43	4.47	-53.55
C[N@@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1CCC1	REAL300005795500	1	41	0.0	-58.47	323.53	4.43	-54.04
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[NH+]1CCSCC1	REAL300005795525	1	42	0.0	-60.66	334.30	4.29	-56.37
C[N@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)CC(C)(C)C	REAL300005795530	0	46	0.0	-60.20	345.12	4.84	-55.36
C[N@@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)CC(C)(C)C	REAL300005795530	1	46	0.0	-60.24	347.10	5.04	-55.20
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795532	0	47	0.0	-64.29	376.43	6.88	-57.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795532	1	47	0.0	-64.32	376.16	7.84	-56.48
COCCOCC[N@H+](C)CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795533	0	51	0.0	-64.59	405.16	4.05	-60.54
COCCOCC[N@@H+](C)CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795533	1	51	0.0	-65.33	405.50	3.14	-62.19
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300005795556	1	50	0.0	-61.70	389.58	6.65	-55.05
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300005795556	1	50	0.0	-63.66	380.49	6.40	-57.26
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300005795557	1	50	0.0	-64.11	381.40	5.46	-58.65
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300005795557	1	50	0.0	-62.27	389.58	5.80	-56.47
CCCCCC[N@H+](C)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795559	0	49	0.0	-61.95	381.13	7.02	-54.93
CCCCCC[N@@H+](C)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795559	1	49	0.0	-62.23	381.49	6.23	-56.00
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300005795569	0	42	0.0	-56.65	312.84	4.82	-51.83
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300005795577	1	36	0.0	-71.82	311.74	6.81	-65.01
C[N@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1CCSC1	REAL300005795592	0	42	0.0	-65.37	337.78	5.64	-59.73
C[N@@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1CCSC1	REAL300005795592	1	42	0.0	-66.13	336.66	4.73	-61.40
CC(C)[NH+]1CCN(CCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC1	REAL300005795607	0	52	0.0	-63.16	392.67	3.68	-59.48
CC(C)N1CC[NH+](CCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC1	REAL300005795607	1	52	0.0	-64.44	389.16	4.32	-60.12
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC1	REAL300005795608	0	55	0.0	-62.79	414.17	4.50	-58.29
CC(C)N1CC[NH+](CCCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC1	REAL300005795608	1	55	0.0	-65.34	410.37	5.21	-60.13
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300005795609	0	45	0.0	-53.98	343.64	5.14	-48.84
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300005795609	1	45	0.0	-53.13	342.31	5.08	-48.05
C[NH+](C)CCN1C=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=N1	REAL300005795611	0	44	0.0	-75.37	355.18	4.47	-70.90
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005795619	0	53	0.0	-68.63	410.13	5.85	-62.78
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300005795620	0	50	0.0	-61.57	391.97	6.69	-54.88
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300005795620	1	50	0.0	-66.77	393.22	6.57	-60.20
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005795625	1	48	0.0	-60.97	366.46	7.64	-53.33
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005795625	1	48	0.0	-60.65	372.23	6.79	-53.86
CCC(CC)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[NH+]1CCOCC1	REAL300005795642	1	54	0.0	-56.80	381.86	5.67	-51.13
CCCC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[NH+](C)C	REAL300005795646	0	43	0.0	-60.77	327.56	4.26	-56.51
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005795647	0	51	0.0	-68.43	399.97	8.59	-59.84
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005795647	1	51	0.0	-69.12	403.10	7.69	-61.43
C[NH+](C)CCN1C=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=N1	REAL300005795662	0	44	0.0	-81.62	358.87	4.09	-77.53
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795663	0	44	0.0	-57.11	350.16	4.59	-52.52
C[C@@H]1[C@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC[N@@H+]1C	REAL300005795669	0	41	0.0	-65.22	313.49	3.77	-61.45
C[C@@H]1[C@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC[N@H+]1C	REAL300005795669	1	41	0.0	-64.90	318.66	4.65	-60.25
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795671	1	45	0.0	-57.38	362.97	6.64	-50.74
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC[N@@H+]1C	REAL300005795674	0	44	0.0	-64.98	329.21	4.78	-60.20
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC[N@H+]1C	REAL300005795674	1	44	0.0	-62.24	333.68	4.48	-57.76
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=NN1	REAL300005795677	1	45	0.0	-75.00	360.01	3.61	-71.39
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=NN1	REAL300005795677	1	45	0.0	-71.74	353.33	3.02	-68.72
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795678	1	40	0.0	-57.14	322.32	5.10	-52.04
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795678	1	40	0.0	-58.26	329.24	4.56	-53.70
CC1C[N@H+](C)CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)O1	REAL300005795686	1	42	0.0	-71.70	323.33	4.00	-67.70
CC1C[N@@H+](C)CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)O1	REAL300005795686	1	42	0.0	-72.47	331.26	3.43	-69.04
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300005795692	1	47	0.0	-55.75	374.50	5.31	-50.44
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300005795692	1	47	0.0	-62.65	372.91	5.89	-56.76
CC1=[NH+]C=CN1CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795696	1	36	0.0	-57.55	306.81	4.86	-52.69
CC(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795698	0	45	0.0	-64.62	348.34	3.99	-60.63
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300005795699	0	52	0.0	-68.35	407.88	5.27	-63.08
CC1CC[NH+](CC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC1	REAL300005795714	0	44	0.0	-60.87	340.34	4.97	-55.90
CC[N@@H+]1CCOC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005795728	1	42	0.0	-54.29	319.64	4.07	-50.22
CC[N@H+]1CCOC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005795728	1	42	0.0	-60.10	319.21	4.20	-55.90
C[N@@H+]1CCCC1CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795774	0	44	0.0	-66.29	343.08	5.96	-60.33
C[N@H+]1CCCC1CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795774	1	44	0.0	-63.55	338.18	4.44	-59.11
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300005795787	0	45	0.0	-64.55	323.60	4.13	-60.42
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795789	0	42	0.0	-59.55	315.74	0.86	-58.69
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795789	1	42	0.0	-61.37	315.21	0.98	-60.39
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300005795790	0	45	0.0	-55.33	340.30	5.16	-50.17
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300005795790	1	45	0.0	-57.16	336.49	5.70	-51.46
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795797	0	48	0.0	-62.62	346.92	3.03	-59.59
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=N1	REAL300005795802	0	51	0.0	-69.07	389.82	4.83	-64.24
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=N1	REAL300005795802	1	51	0.0	-75.26	394.63	5.72	-69.54
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)=C2)CC1	REAL300005795806	0	53	0.0	-75.68	407.76	5.82	-69.86
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)C=C2)CC1	REAL300005795807	0	53	0.0	-74.20	407.82	5.73	-68.47
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)C=C2)CC1	REAL300005795807	1	53	0.0	-78.89	407.29	5.60	-73.29
CC1CCC(C)[NH+]1CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005795949	0	44	0.0	-56.36	333.73	5.28	-51.08
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=C1	REAL300005795950	0	44	0.0	-78.50	353.28	5.57	-72.93
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005795951	0	51	0.0	-55.88	387.58	8.45	-47.43
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005795951	1	51	0.0	-65.18	386.80	8.37	-56.81
C#CC[NH+]1CCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC1	REAL300005796022	0	43	0.0	-68.72	346.83	5.21	-63.51
CCC[N@@H+]1CCCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005796024	0	47	0.0	-55.89	355.97	5.36	-50.53
CCC[N@H+]1CCCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005796024	1	47	0.0	-56.08	355.50	6.37	-49.71
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005796025	0	44	0.0	-57.26	349.42	5.53	-51.73
CC(C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[NH+]1CCCCC1	REAL300005796028	0	50	0.0	-54.63	362.92	5.77	-48.86
C[NH+](C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1=CC=CC=C1	REAL300005796029	1	44	0.0	-57.55	345.60	5.61	-51.94
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005796033	0	49	0.0	-56.82	384.56	5.02	-51.80
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005796033	1	49	0.0	-61.74	388.91	4.85	-56.89
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005796039	1	45	0.0	-56.74	362.19	6.64	-50.10
C[NH+](C)CC1=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005796040	0	47	0.0	-54.52	379.26	7.25	-47.27
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300005796045	0	48	0.0	-59.72	351.43	7.02	-52.70
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300005796045	1	48	0.0	-58.47	352.13	5.95	-52.52
CC[N@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1CC1	REAL300005796047	0	41	0.0	-56.74	326.18	5.45	-51.29
CC[N@@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)C1CC1	REAL300005796047	1	41	0.0	-59.34	318.66	5.22	-54.12
CC(C)C(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300005796075	1	54	0.0	-52.88	390.59	5.83	-47.05
CC(C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300005796076	0	47	0.0	-56.01	345.01	5.81	-50.20
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)=CC=C1N2	REAL300005796117	1	49	0.0	-75.78	385.98	6.71	-69.07
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)=CC=C1N2	REAL300005796117	1	49	0.0	-81.20	386.42	5.87	-75.33
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)O1	REAL300005796168	0	47	0.0	-73.48	370.06	5.33	-68.15
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300005796169	0	47	0.0	-65.03	368.65	5.83	-59.20
CC1=CC=C(N2CCC(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)CC2)[NH+]=C1	REAL300005796171	1	50	0.0	-63.43	391.17	5.42	-58.01
C[N@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005796172	1	44	0.0	-65.00	354.42	6.07	-58.93
C[N@@H+](CC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005796172	1	44	0.0	-64.78	354.12	6.86	-57.92
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005796200	1	39	0.0	-74.26	330.30	3.47	-70.79
C[NH+](C)CC1=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=NO1	REAL300005796229	1	40	0.0	-74.51	332.45	3.47	-71.04
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005796233	0	51	0.0	-69.61	398.68	7.31	-62.30
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005796233	1	51	0.0	-65.32	397.71	8.35	-56.97
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005796249	0	44	0.0	-58.02	327.68	4.65	-53.37
CC(C)[N@H+]1CCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005796249	1	44	0.0	-57.89	327.20	4.69	-53.20
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=C1	REAL300005796257	0	52	0.0	-76.90	419.38	6.82	-70.08
C[NH+]1CCC(OCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC1	REAL300005796276	0	45	0.0	-70.29	357.26	5.48	-64.81
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300005796281	0	48	0.0	-73.74	379.35	6.89	-66.85
CCC[N@@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005796476	0	47	0.0	-57.45	352.78	5.52	-51.93
CCC[N@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005796476	1	47	0.0	-52.30	350.32	5.44	-46.86
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005796509	0	47	0.0	-58.25	355.38	5.01	-53.24
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005796509	1	47	0.0	-57.81	356.90	5.39	-52.42
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300005796510	0	45	0.0	-61.69	350.44	2.57	-59.12
O=C([O-])C(F)(F)C1(O)CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300005796615	0	52	0.0	-69.85	401.05	7.70	-62.15
O=C([O-])C(F)(F)C1(O)CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300005796615	1	52	0.0	-65.93	402.40	7.63	-58.30
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005796742	0	47	0.0	-54.65	355.83	5.96	-48.69
CC(C)[N@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005796742	1	47	0.0	-51.42	345.47	5.22	-46.20
C[N@@H+]1CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005796743	0	41	0.0	-67.87	336.74	4.00	-63.87
C[N@H+]1CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005796743	1	41	0.0	-68.41	330.15	4.51	-63.90
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)N1	REAL300005796767	1	42	0.0	-58.42	346.49	3.69	-54.73
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=C1	REAL300005797266	0	47	0.0	-78.47	375.61	7.38	-71.09
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=C1	REAL300005797272	0	48	0.0	-76.85	378.68	6.22	-70.63
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005797369	0	54	0.0	-64.04	416.80	9.38	-54.66
CC1CN(CC2=CC=C(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)C=C2)CCO1	REAL300005797371	0	52	0.0	-58.42	396.03	5.53	-52.89
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)C=C2)CCO1	REAL300005797371	1	52	0.0	-80.51	398.13	5.58	-74.93
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)C=C2)CCO1	REAL300005797371	1	52	0.0	-80.51	398.13	5.58	-74.93
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005797415	0	41	0.0	-64.40	325.56	4.96	-59.44
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)CC1	REAL300005797419	0	47	0.0	-56.26	345.06	5.74	-50.52
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)=CN12	REAL300005797423	0	39	0.0	-64.45	332.05	6.57	-57.88
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005797488	0	50	0.0	-52.50	364.40	6.98	-45.52
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005797488	1	50	0.0	-61.82	377.16	7.02	-54.80
CC[N@@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005797489	0	44	0.0	-51.90	328.59	5.67	-46.23
CC[N@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005797489	1	44	0.0	-61.38	328.14	5.25	-56.13
C[N@@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005797493	0	41	0.0	-64.08	315.84	4.79	-59.29
C[N@H+]1CCCC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005797493	1	41	0.0	-57.00	310.54	3.98	-53.02
C[NH+](C)CC1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)O1	REAL300005797495	1	41	0.0	-76.02	338.77	4.25	-71.77
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005797501	0	50	0.0	-73.02	351.61	4.41	-68.61
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C1	REAL300005797501	1	50	0.0	-72.20	359.41	5.74	-66.46
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300005797504	1	43	0.0	-49.51	329.89	6.69	-42.82
O=C([O-])C1(O)CCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005798826	0	51	0.0	-82.05	382.34	8.29	-73.76
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005799603	0	48	0.0	-65.29	358.79	7.32	-57.97
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005799603	1	48	0.0	-67.49	361.88	7.67	-59.82
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005800405	1	48	0.0	-73.10	379.97	8.20	-64.90
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005800405	1	48	0.0	-65.47	375.42	7.86	-57.61
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(O)(C(=O)[O-])C3)CN12	REAL300005800497	1	43	0.0	-49.75	329.73	5.78	-43.97
O=C([O-])C1(O)CCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300005800498	0	51	0.0	-48.61	375.40	7.77	-40.84
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(O)(C(=O)[O-])C3)CC2)=CS1	REAL300005800563	1	50	0.0	-77.69	389.83	6.37	-71.32
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300005800641	0	54	0.0	-78.07	416.30	7.99	-70.08
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300005800655	0	54	0.0	-78.79	416.29	9.97	-68.82
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300005800655	1	54	0.0	-79.62	416.24	9.95	-69.67
CC1(C(=O)N2CCCC(O)(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005800656	0	54	0.0	-70.76	386.86	8.19	-62.57
C[NH+](C)CC1(C(=O)N2CCCC(O)(C(=O)[O-])C2)CCCCC1	REAL300005800739	0	50	0.0	-75.82	337.31	6.64	-69.18
C[N@H+](CCC(=O)N1CCCC(O)(C(=O)[O-])C1)C1CCCCC1	REAL300005800742	0	50	0.0	-74.88	360.66	6.85	-68.03
C[N@@H+](CCC(=O)N1CCCC(O)(C(=O)[O-])C1)C1CCCCC1	REAL300005800742	1	50	0.0	-75.01	360.63	6.85	-68.16
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005800766	1	51	0.0	-68.83	374.67	7.88	-60.95
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005800766	1	51	0.0	-68.70	385.88	8.42	-60.28
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005800767	1	48	0.0	-74.13	369.65	7.75	-66.38
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005800767	1	48	0.0	-66.32	365.09	7.40	-58.92
O=C([O-])C1(O)CCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300005800821	0	44	0.0	-79.84	350.37	5.48	-74.36
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300005800826	0	54	0.0	-79.75	419.65	7.69	-72.06
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300005800852	0	51	0.0	-63.67	358.27	6.96	-56.71
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300005800852	1	51	0.0	-64.40	351.63	6.73	-57.67
O=C([O-])C1(O)CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300005800853	0	52	0.0	-82.39	373.49	5.35	-77.04
O=C([O-])C1(O)CCCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300005800881	1	48	0.0	-79.34	360.56	4.84	-74.50
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1)C(C)C	REAL300005800883	0	53	0.0	-78.97	387.38	7.97	-71.00
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1)C(C)C	REAL300005800883	1	53	0.0	-82.38	381.21	7.83	-74.55
O=C([O-])C1(O)CCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005800907	0	48	0.0	-74.00	361.89	7.46	-66.54
O=C([O-])C1(O)CCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005800907	1	48	0.0	-73.60	362.67	7.50	-66.10
O=C([O-])C1(O)CCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300005800908	0	49	0.0	-84.39	365.41	7.00	-77.39
C[NH+]1CCN(C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300005800931	1	53	0.0	-71.76	393.86	6.19	-65.57
O=C([O-])C1(O)CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300005800932	0	52	0.0	-74.49	359.03	5.12	-69.37
CC(C(=O)N1CCCC(O)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300005800935	0	47	0.0	-69.56	354.71	7.13	-62.43
CC(C(=O)N1CCCC(O)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005800935	1	47	0.0	-70.02	355.48	7.16	-62.86
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300005800945	0	54	0.0	-68.96	397.32	9.29	-59.67
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300005800945	1	54	0.0	-78.66	405.52	9.18	-69.48
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C=N1	REAL300005800976	0	43	0.0	-77.10	336.35	4.46	-72.64
CCC[NH+](CCC)CCCC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005800987	0	52	0.0	-74.91	384.85	7.45	-67.46
O=C([O-])C1(O)CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300005800988	1	52	0.0	-63.33	386.19	4.94	-58.39
CC[N@H+](C)C(C(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005800989	0	47	0.0	-63.79	351.43	7.11	-56.68
CC[N@@H+](C)C(C(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005800989	1	47	0.0	-61.67	348.14	7.06	-54.61
CC[NH+](CC)C(C(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005800994	0	50	0.0	-66.18	357.35	7.43	-58.75
C[NH+](C)C(C(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005801000	1	44	0.0	-66.73	347.10	6.94	-59.79
O=C([O-])C1(O)CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300005801014	0	48	0.0	-82.17	363.91	7.49	-74.68
O=C([O-])C1(O)CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300005801021	0	51	0.0	-75.41	380.91	8.19	-67.22
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(O)(C(=O)[O-])C3)CC2)CC1	REAL300005801027	0	59	0.0	-56.15	416.45	6.05	-50.10
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300005801034	1	55	0.0	-84.91	415.08	7.27	-77.64
O=C([O-])C1(O)CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005801043	1	52	0.0	-83.95	396.50	7.78	-76.17
O=C([O-])C1(O)CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005801043	1	52	0.0	-86.75	389.84	7.73	-79.02
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005801057	0	51	0.0	-66.11	368.35	7.88	-58.23
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005801057	1	51	0.0	-65.21	368.20	7.79	-57.42
CC1=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300005801059	1	42	0.0	-79.58	337.66	4.76	-74.82
O=C([O-])C1(O)CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300005801067	0	51	0.0	-82.41	380.66	8.20	-74.21
O=C([O-])C1(O)CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300005801079	1	44	0.0	-78.54	343.77	5.65	-72.89
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300005801080	0	47	0.0	-84.72	362.69	7.23	-77.49
O=C([O-])C1(O)CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005801088	1	49	0.0	-53.84	365.30	6.88	-46.96
O=C([O-])C1(O)CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005801088	1	49	0.0	-77.32	364.95	6.83	-70.49
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801094	0	58	0.0	-64.58	425.93	9.41	-55.17
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801094	1	58	0.0	-62.56	418.86	9.13	-53.43
CC(C(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005801102	0	57	0.0	-69.38	419.16	9.67	-59.71
CC(C(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300005801134	1	42	0.0	-68.41	319.55	5.19	-63.22
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801141	0	47	0.0	-72.63	361.33	7.63	-65.00
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801141	1	47	0.0	-72.61	361.35	7.62	-64.99
COCCOCC[N@H+](C)CCC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801142	0	51	0.0	-74.23	390.34	3.86	-70.37
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801142	1	51	0.0	-75.54	390.42	3.87	-71.67
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300005801145	0	45	0.0	-73.19	329.68	3.66	-69.53
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300005801145	1	45	0.0	-73.90	320.03	3.49	-70.41
O=C([O-])C1(O)CCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005801153	0	56	0.0	-80.16	416.59	7.39	-72.77
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300005801154	1	50	0.0	-70.26	374.36	6.59	-63.67
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300005801154	1	50	0.0	-72.95	366.54	6.24	-66.71
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300005801155	1	50	0.0	-73.75	366.24	6.14	-67.61
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300005801155	1	50	0.0	-67.62	363.20	6.10	-61.52
CCCCCC[N@H+](C)CC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801156	0	49	0.0	-70.72	365.98	6.96	-63.76
CCCCCC[N@@H+](C)CC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801156	1	49	0.0	-70.70	365.92	6.96	-63.74
C[N@H+](CC(=O)N1CCCC(O)(C(=O)[O-])C1)C1CCSC1	REAL300005801180	0	42	0.0	-73.53	321.55	5.44	-68.09
C[N@@H+](CC(=O)N1CCCC(O)(C(=O)[O-])C1)C1CCSC1	REAL300005801180	1	42	0.0	-74.59	321.60	5.42	-69.17
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300005801191	0	52	0.0	-73.55	373.66	4.19	-69.36
CC(C)N1CC[NH+](CCC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300005801191	1	52	0.0	-74.26	374.14	4.23	-70.03
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300005801192	0	55	0.0	-73.06	399.09	5.23	-67.83
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300005801192	1	55	0.0	-76.01	395.96	5.06	-70.95
C[NH+](C)CCN1C=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C=N1	REAL300005801194	0	44	0.0	-80.15	343.75	4.37	-75.78
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(O)(C(=O)[O-])C3)CC2)=C1	REAL300005801199	0	56	0.0	-78.44	416.50	7.25	-71.19
O=C([O-])C1(O)CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005801201	0	53	0.0	-78.36	395.09	6.59	-71.77
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300005801205	0	50	0.0	-76.95	377.93	6.54	-70.41
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300005801205	1	50	0.0	-74.91	367.71	6.32	-68.59
CC(C(=O)N1CCCC(O)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005801210	1	48	0.0	-69.96	356.45	7.51	-62.45
CC(C(=O)N1CCCC(O)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005801210	1	48	0.0	-68.85	358.88	7.51	-61.34
O=C([O-])C1(O)CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005801238	0	51	0.0	-79.44	385.14	8.42	-71.02
O=C([O-])C1(O)CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005801238	1	51	0.0	-79.99	387.60	8.51	-71.48
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300005801250	0	44	0.0	-87.51	344.05	5.04	-82.47
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801251	0	44	0.0	-63.25	339.10	4.43	-58.82
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801256	1	45	0.0	-67.38	348.15	6.46	-60.92
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)=NN1	REAL300005801259	1	45	0.0	-80.74	344.79	4.54	-76.20
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)=NN1	REAL300005801259	1	45	0.0	-80.12	345.35	4.52	-75.60
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005801270	0	51	0.0	-76.98	389.40	8.37	-68.61
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005801270	1	51	0.0	-74.24	379.25	8.23	-66.01
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300005801271	1	47	0.0	-63.04	360.17	6.26	-56.78
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300005801271	1	47	0.0	-64.31	354.57	5.52	-58.79
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801275	0	45	0.0	-74.82	331.60	3.74	-71.08
O=C([O-])C1(O)CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300005801276	0	52	0.0	-78.47	392.85	6.01	-72.46
O=C([O-])C1(O)CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300005801323	0	51	0.0	-53.05	366.69	7.07	-45.98
O=C([O-])C1(O)CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300005801323	1	51	0.0	-71.67	363.97	7.01	-64.66
O=C([O-])C1(O)CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300005801343	0	56	0.0	-78.79	411.55	7.61	-71.18
O=C([O-])C1(O)CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300005801343	1	56	0.0	-72.40	411.28	7.87	-64.53
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801350	0	48	0.0	-73.17	333.08	3.77	-69.40
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(O)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300005801353	0	57	0.0	-75.38	408.11	6.87	-68.51
CC(C)[N@H+]1CCC(C(=O)N2CCCC(O)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300005801353	1	57	0.0	-82.48	422.04	7.14	-75.34
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(O)(C(=O)[O-])C2)C=N1	REAL300005801354	0	51	0.0	-78.73	365.82	5.31	-73.42
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(O)(C(=O)[O-])C2)C=N1	REAL300005801354	1	51	0.0	-78.09	366.06	5.27	-72.82
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(O)(C(=O)[O-])C3)=C2)CC1	REAL300005801360	0	53	0.0	-78.09	397.94	5.77	-72.32
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)CC1	REAL300005801361	0	53	0.0	-78.44	399.47	5.85	-72.59
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)CC1	REAL300005801361	1	53	0.0	-84.05	398.29	5.68	-78.37
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300005801362	0	54	0.0	-80.40	404.29	7.45	-72.95
O=C([O-])C1(O)CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300005801464	0	55	0.0	-84.85	412.34	5.51	-79.34
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300005801468	0	44	0.0	-76.69	339.28	6.34	-70.35
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005801469	0	51	0.0	-73.28	382.97	8.30	-64.98
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005801469	1	51	0.0	-71.56	381.86	8.24	-63.32
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801525	0	44	0.0	-56.51	336.42	6.35	-50.16
CC[NH+]1CCN(CCC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300005801527	0	49	0.0	-74.96	360.87	3.91	-71.05
CCN1CC[NH+](CCC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300005801527	1	49	0.0	-74.37	360.90	3.91	-70.46
CC(C)C(C(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300005801530	0	50	0.0	-66.29	341.65	6.77	-59.52
C[NH+](C)C(C(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005801531	1	44	0.0	-63.57	330.38	6.41	-57.16
O=C([O-])C1(O)CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005801535	0	49	0.0	-70.33	368.90	4.60	-65.73
O=C([O-])C1(O)CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005801535	1	49	0.0	-72.94	372.92	4.57	-68.37
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801540	1	45	0.0	-65.66	347.66	6.39	-59.27
C[NH+](C)CC1=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005801541	0	47	0.0	-59.79	358.90	6.91	-52.88
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300005801545	0	48	0.0	-66.65	340.83	6.50	-60.15
O=C([O-])C1(O)CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300005801545	1	48	0.0	-67.59	329.49	6.64	-60.95
CC(C)C(C(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300005801569	1	54	0.0	-64.19	373.41	5.66	-58.53
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(O)(C(=O)[O-])C3)=CC=C1N2	REAL300005801596	1	49	0.0	-80.09	374.10	6.73	-73.36
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(O)(C(=O)[O-])C3)=CC=C1N2	REAL300005801596	1	49	0.0	-80.19	374.06	6.72	-73.47
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)O1	REAL300005801649	0	47	0.0	-77.39	358.30	6.31	-71.08
CC1=CC=C(N2CCC(C(=O)N3CCCC(O)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300005801650	1	50	0.0	-75.22	375.60	6.18	-69.04
C[N@H+](CC(=O)N1CCCC(O)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005801651	1	44	0.0	-73.69	338.85	6.79	-66.90
C[N@@H+](CC(=O)N1CCCC(O)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005801651	1	44	0.0	-73.67	338.91	6.79	-66.88
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)CC1	REAL300005801654	0	56	0.0	-81.72	407.13	6.70	-75.02
O=C([O-])C1(O)CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005801665	1	39	0.0	-78.54	318.63	4.32	-74.22
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801699	0	51	0.0	-77.48	384.82	8.13	-69.35
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005801699	1	51	0.0	-81.48	384.57	8.08	-73.40
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300005801717	0	52	0.0	-81.64	403.61	7.72	-73.92
C[NH+]1CCC(OCC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300005801732	0	45	0.0	-79.80	342.20	5.37	-74.43
O=C([O-])C1(O)CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300005801736	0	48	0.0	-79.12	364.48	6.82	-72.30
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(O)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300005801767	0	50	0.0	-73.91	374.99	6.36	-67.55
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(O)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300005801767	1	50	0.0	-71.09	371.37	6.19	-64.90
O=C([O-])C1(O)CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300005801927	0	45	0.0	-70.42	335.94	2.38	-68.04
O=C([O-])C1(O)CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300005802012	0	52	0.0	-53.78	381.23	8.53	-45.25
O=C([O-])C1(O)CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300005802012	1	52	0.0	-84.42	388.72	8.39	-76.03
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300005802044	1	51	0.0	-69.44	378.01	8.06	-61.38
O=C([O-])C1(O)CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300005802044	1	51	0.0	-65.79	374.60	7.87	-57.92
C[N@@H+]1CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005802127	0	41	0.0	-74.25	320.78	4.72	-69.53
C[N@H+]1CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005802127	1	41	0.0	-79.21	311.60	4.46	-74.75
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300005802560	0	47	0.0	-77.70	361.82	7.18	-70.52
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300005802566	0	48	0.0	-80.60	368.37	6.13	-74.47
O=C([O-])C1(O)CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005802645	0	54	0.0	-76.32	401.92	9.20	-67.12
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)CCO1	REAL300005802647	1	52	0.0	-86.07	394.30	6.59	-79.48
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)CCO1	REAL300005802647	1	52	0.0	-85.56	394.96	6.62	-78.94
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300005802731	0	50	0.0	-72.67	363.13	6.85	-65.82
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300005802731	1	50	0.0	-72.67	363.13	6.85	-65.82
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300005802739	0	50	0.0	-87.99	337.24	5.24	-82.75
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300005802739	1	50	0.0	-87.99	337.24	5.24	-82.75
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300005803843	0	55	0.0	-59.03	417.56	10.26	-48.77
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300005804477	0	52	0.0	-71.56	399.14	9.67	-61.89
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300005804477	1	52	0.0	-72.00	399.84	9.69	-62.31
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300005805356	0	49	0.0	-56.04	370.70	8.15	-47.89
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300005805380	0	46	0.0	-47.74	353.33	7.53	-40.21
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300005805380	1	46	0.0	-66.72	346.49	7.35	-59.37
CC1=[NH+]C=C2CCC(C(=O)N3CCCC4(CC(C(=O)[O-])=NO4)C3)CN21	REAL300005805386	1	47	0.0	-71.85	365.84	7.79	-64.06
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300005805387	0	55	0.0	-47.72	410.78	9.74	-37.98
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005805467	0	45	0.0	-74.98	330.03	6.39	-68.59
C[N@H+]1CCCCC1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005805467	1	45	0.0	-64.27	336.78	6.70	-57.57
CC(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)N1CC[NH+](C)CC1	REAL300005805468	1	50	0.0	-74.66	373.02	5.10	-69.56
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005805508	0	45	0.0	-69.57	336.96	6.70	-62.87
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005805508	1	45	0.0	-74.69	329.80	6.40	-68.29
CC1(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005805564	0	58	0.0	-68.77	421.54	10.19	-58.58
C[NH+]1CCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005805594	0	45	0.0	-59.52	341.38	6.74	-52.78
C[N@H+](CCC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1CCCCC1	REAL300005805654	0	54	0.0	-76.41	395.86	8.82	-67.59
C[N@@H+](CCC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1CCCCC1	REAL300005805654	1	54	0.0	-74.71	395.89	8.84	-65.87
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300005805669	1	52	0.0	-74.62	400.33	9.36	-65.26
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300005805669	1	52	0.0	-68.07	400.28	9.39	-58.68
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300005805725	0	48	0.0	-73.28	385.04	7.44	-65.84
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300005805748	0	55	0.0	-67.47	388.58	8.71	-58.76
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300005805748	1	55	0.0	-66.40	392.50	8.93	-57.47
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300005805749	0	56	0.0	-60.60	408.68	7.33	-53.27
CC1=[NH+]C=CN1CCCC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005805782	1	46	0.0	-70.48	368.50	8.14	-62.34
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CCCC[NH+]1CCOCC1)C2	REAL300005805783	1	52	0.0	-77.80	395.70	6.82	-70.98
CC[N@H+](CC1=CC=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C=C1)C(C)C	REAL300005805786	0	57	0.0	-83.91	423.30	9.97	-73.94
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C=C1)C(C)C	REAL300005805786	1	57	0.0	-70.52	413.46	9.50	-61.02
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005805837	0	52	0.0	-76.21	396.45	9.40	-66.81
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005805837	1	52	0.0	-75.53	398.93	9.51	-66.02
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300005805838	0	53	0.0	-84.83	400.77	8.98	-75.85
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2	REAL300005805864	0	56	0.0	-76.33	394.17	7.09	-69.24
CCC(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[NH+](CC)CC	REAL300005805868	0	50	0.0	-62.62	359.73	7.29	-55.33
CC(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300005805870	0	51	0.0	-70.79	390.38	9.12	-61.67
CC(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005805870	1	51	0.0	-74.28	389.99	9.09	-65.19
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300005805882	0	58	0.0	-63.96	431.52	11.21	-52.75
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300005805882	1	58	0.0	-54.55	431.27	11.24	-43.31
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C=N1	REAL300005805903	0	47	0.0	-87.15	371.74	6.93	-80.22
CCC[NH+](CCC)CCCC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005805912	0	56	0.0	-74.04	415.52	9.15	-64.89
CC[N@H+](C)C(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1=CC=CC=C1	REAL300005805913	0	51	0.0	-64.76	383.29	9.03	-55.73
CC[N@@H+](C)C(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1=CC=CC=C1	REAL300005805913	1	51	0.0	-65.12	384.82	9.10	-56.02
C[N@@H+]1CCOC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005805915	1	43	0.0	-85.34	330.16	5.43	-79.91
C[N@H+]1CCOC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005805915	1	43	0.0	-87.15	330.29	5.43	-81.72
CC[NH+](CC)C(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1=CC=CC=C1	REAL300005805918	0	54	0.0	-64.90	393.88	9.41	-55.49
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005805927	1	46	0.0	-66.41	363.14	7.92	-58.49
C[NH+](C)C(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1=CC=C(Cl)C=C1	REAL300005805932	1	48	0.0	-74.10	386.03	9.01	-65.09
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300005805945	0	52	0.0	-86.63	400.89	9.53	-77.10
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300005805953	0	55	0.0	-64.97	417.53	10.23	-54.74
C[NH+](C)CC1(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005805958	0	45	0.0	-64.50	345.22	6.71	-57.79
C[NH+](C)CCCCC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005805967	0	47	0.0	-76.31	362.80	7.36	-68.95
CC(C)C(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[NH+](C)C	REAL300005805976	0	47	0.0	-66.63	340.46	6.72	-59.91
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300005805989	0	55	0.0	-66.97	403.47	9.77	-57.20
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300005805989	1	55	0.0	-67.04	403.37	9.76	-57.28
CC1=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300005805991	1	46	0.0	-68.84	370.68	6.72	-62.12
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300005805999	0	55	0.0	-86.98	417.64	10.24	-76.74
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300005806013	1	48	0.0	-65.62	379.15	7.66	-57.96
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C=C1	REAL300005806014	0	51	0.0	-76.28	396.47	9.17	-67.11
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806025	1	44	0.0	-68.02	350.41	5.82	-62.20
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300005806027	1	53	0.0	-87.52	407.05	8.98	-78.54
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300005806027	1	53	0.0	-63.71	407.98	9.02	-54.69
C[N@H+](CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1CCC1	REAL300005806058	0	45	0.0	-69.07	343.61	7.17	-61.90
C[N@@H+](CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1CCC1	REAL300005806058	1	45	0.0	-69.44	343.53	7.14	-62.30
CC(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[NH+]1CCSCC1	REAL300005806081	1	46	0.0	-72.47	354.41	7.09	-65.38
C[N@H+](CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)CC(C)(C)C	REAL300005806086	0	50	0.0	-71.31	365.20	7.57	-63.74
C[N@@H+](CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)CC(C)(C)C	REAL300005806086	1	50	0.0	-71.00	367.18	7.73	-63.27
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806088	0	51	0.0	-74.33	396.59	9.62	-64.71
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806088	1	51	0.0	-74.31	396.51	9.60	-64.71
COCCOCC[N@H+](C)CCC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806089	0	55	0.0	-74.86	425.63	5.86	-69.00
COCCOCC[N@@H+](C)CCC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806089	1	55	0.0	-74.81	425.68	5.88	-68.93
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C2	REAL300005806112	1	54	0.0	-74.75	409.67	8.57	-66.18
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C2	REAL300005806112	1	54	0.0	-72.38	398.40	8.10	-64.28
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C2	REAL300005806113	1	54	0.0	-68.78	409.51	8.48	-60.30
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C2	REAL300005806113	1	54	0.0	-74.92	401.44	8.19	-66.73
CCCCCC[N@H+](C)CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806115	0	53	0.0	-72.58	401.10	8.93	-63.65
CCCCCC[N@@H+](C)CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806115	1	53	0.0	-72.59	401.18	8.95	-63.64
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300005806125	0	46	0.0	-80.03	328.37	6.63	-73.40
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300005806133	1	40	0.0	-84.71	326.93	8.36	-76.35
C[N@H+](CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1CCSC1	REAL300005806147	0	46	0.0	-74.88	356.94	7.40	-67.48
C[N@@H+](CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1CCSC1	REAL300005806147	1	46	0.0	-75.84	358.41	7.38	-68.46
CC(C)[NH+]1CCN(CCC(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005806161	0	56	0.0	-76.35	412.77	6.41	-69.94
CC(C)N1CC[NH+](CCC(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005806161	1	56	0.0	-74.35	409.28	6.20	-68.15
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005806162	0	59	0.0	-75.35	434.29	7.21	-68.14
CC(C)N1CC[NH+](CCCC(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005806162	1	59	0.0	-75.12	431.10	7.03	-68.09
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300005806163	0	49	0.0	-46.41	362.23	7.90	-38.51
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300005806163	1	49	0.0	-68.45	349.84	7.24	-61.21
C[NH+](C)CCN1C=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C=N1	REAL300005806165	0	48	0.0	-84.24	378.78	6.34	-77.90
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300005806173	0	54	0.0	-63.91	403.77	8.53	-55.38
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300005806173	1	54	0.0	-71.96	404.97	8.56	-63.40
CC(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005806178	1	52	0.0	-71.32	394.21	9.53	-61.79
CC(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005806178	1	52	0.0	-71.93	391.03	9.50	-62.43
CCCC(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[NH+](C)C	REAL300005806199	0	47	0.0	-68.55	349.77	7.01	-61.54
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005806200	0	55	0.0	-80.80	422.59	10.47	-70.33
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005806200	1	55	0.0	-78.65	423.01	10.45	-68.20
C[NH+](C)CCN1C=CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=N1	REAL300005806215	0	48	0.0	-71.16	379.22	7.01	-64.15
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806216	0	48	0.0	-64.93	374.22	6.40	-58.53
C[C@@H]1[C@H](C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC[N@@H+]1C	REAL300005806221	0	45	0.0	-79.03	333.32	6.65	-72.38
C[C@@H]1[C@H](C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC[N@H+]1C	REAL300005806221	1	45	0.0	-71.95	335.08	6.69	-65.26
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806223	1	49	0.0	-67.49	383.39	8.44	-59.05
CC[C@@H]1[C@@H](C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC[N@@H+]1C	REAL300005806226	0	48	0.0	-78.44	350.66	6.71	-71.73
CC[C@@H]1[C@@H](C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC[N@H+]1C	REAL300005806226	1	48	0.0	-75.46	356.23	7.03	-68.43
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=NN1	REAL300005806228	1	49	0.0	-60.11	380.00	6.51	-53.60
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=NN1	REAL300005806228	1	49	0.0	-65.17	372.98	5.94	-59.23
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806229	1	44	0.0	-70.52	342.59	6.92	-63.60
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806229	1	44	0.0	-48.14	349.75	7.37	-40.77
CC1C[N@H+](C)CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005806236	1	46	0.0	-92.37	344.23	5.74	-86.63
CC1C[N@@H+](C)CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005806236	1	46	0.0	-74.00	344.92	5.99	-68.01
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C2	REAL300005806242	1	51	0.0	-65.68	394.73	8.05	-57.63
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C2	REAL300005806242	1	51	0.0	-78.17	396.88	7.87	-70.30
CC1=[NH+]C=CN1CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806246	1	40	0.0	-66.97	326.89	6.79	-60.18
CC(C[NH+]1CCOCC1)C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806248	0	49	0.0	-75.12	368.02	5.74	-69.38
CC1CC[NH+](CC(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005806263	0	48	0.0	-72.13	360.30	7.67	-64.46
CC[N@@H+]1CCOC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005806276	1	46	0.0	-88.51	348.10	6.07	-82.44
CC[N@H+]1CCOC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005806276	1	46	0.0	-84.96	348.09	6.08	-78.88
C[N@@H+]1CCCC1CCC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806321	0	48	0.0	-80.76	364.86	7.72	-73.04
C[N@H+]1CCCC1CCC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806321	1	48	0.0	-74.71	359.30	7.26	-67.45
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300005806334	0	49	0.0	-74.69	346.15	6.87	-67.82
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806336	0	46	0.0	-67.88	340.07	2.77	-65.11
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806336	1	46	0.0	-66.73	336.10	2.35	-64.38
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300005806337	0	49	0.0	-66.63	361.59	7.95	-58.68
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300005806337	1	49	0.0	-65.94	357.03	7.65	-58.29
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806344	0	52	0.0	-64.27	366.09	5.85	-58.42
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C=N1	REAL300005806349	0	55	0.0	-74.32	408.95	7.66	-66.66
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C=N1	REAL300005806349	1	55	0.0	-77.85	397.68	7.20	-70.65
CC1CCC(C)[NH+]1CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806492	0	48	0.0	-67.66	354.14	7.03	-60.63
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=C1	REAL300005806493	0	48	0.0	-74.49	376.10	8.39	-66.10
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005806494	0	55	0.0	-72.10	417.16	10.23	-61.87
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005806494	1	55	0.0	-74.31	418.17	10.29	-64.02
C#CC[NH+]1CCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005806562	0	47	0.0	-82.73	366.94	7.95	-74.78
CCC[N@@H+]1CCCCC1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806564	0	51	0.0	-73.23	369.34	7.79	-65.44
CCC[N@H+]1CCCCC1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806564	1	51	0.0	-72.62	369.13	7.80	-64.82
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806565	0	48	0.0	-58.70	372.62	8.38	-50.32
CC(C)C(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[NH+]1CCCCC1	REAL300005806567	0	54	0.0	-67.84	382.39	8.85	-58.99
C[NH+](C)C(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1=CC=CC=C1	REAL300005806568	1	48	0.0	-64.68	365.70	8.39	-56.29
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300005806572	0	53	0.0	-77.11	408.66	6.56	-70.55
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300005806572	1	53	0.0	-70.14	408.99	6.61	-63.53
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806578	1	49	0.0	-68.93	382.85	8.38	-60.55
C[NH+](C)CC1=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)OC2=CC=CC=C21	REAL300005806579	0	51	0.0	-63.78	400.15	9.08	-54.70
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300005806585	0	52	0.0	-70.17	365.88	8.53	-61.64
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300005806585	1	52	0.0	-68.81	380.84	8.42	-60.39
CC[N@H+](CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1CC1	REAL300005806587	0	45	0.0	-67.34	340.97	7.07	-60.27
CC[N@@H+](CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)C1CC1	REAL300005806587	1	45	0.0	-70.66	338.77	7.09	-63.57
CC(C)C(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[NH+]1CC(C)OC(C)C1	REAL300005806615	1	58	0.0	-71.03	413.48	7.63	-63.40
CC(C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)[NH+]1CCCCCC1	REAL300005806616	0	51	0.0	-66.17	364.58	7.51	-58.66
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC4(CC(C(=O)[O-])=NO4)C3)=CC=C1N2	REAL300005806657	1	53	0.0	-67.43	411.03	8.78	-58.65
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC4(CC(C(=O)[O-])=NO4)C3)=CC=C1N2	REAL300005806657	1	53	0.0	-91.42	410.63	8.78	-82.64
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005806707	0	51	0.0	-84.96	394.95	8.37	-76.59
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2	REAL300005806708	0	51	0.0	-75.33	387.15	8.43	-66.90
CC1=CC=C(N2CCC(C(=O)N3CCCC4(CC(C(=O)[O-])=NO4)C3)CC2)[NH+]=C1	REAL300005806710	1	54	0.0	-63.63	410.93	8.15	-55.48
C[N@H+](CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)CC1=CC=CC=C1	REAL300005806711	1	48	0.0	-75.77	374.07	8.76	-67.01
C[N@@H+](CC(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1)CC1=CC=CC=C1	REAL300005806711	1	48	0.0	-75.84	374.11	8.78	-67.06
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300005806739	1	43	0.0	-67.03	354.71	6.32	-60.71
C[NH+](C)CC1=CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=NO1	REAL300005806767	1	44	0.0	-65.78	353.33	6.48	-59.30
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806771	0	55	0.0	-74.93	417.47	10.45	-64.48
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806771	1	55	0.0	-77.01	418.80	10.01	-67.00
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806786	0	48	0.0	-67.36	352.11	7.06	-60.30
CC(C)[N@H+]1CCCC1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005806786	1	48	0.0	-67.94	352.82	7.08	-60.86
C[NH+]1CCC(OCC(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005806812	0	49	0.0	-80.27	377.43	7.34	-72.93
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300005806817	0	52	0.0	-86.46	399.60	8.79	-77.67
CCC[N@@H+]1CCCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005807007	0	51	0.0	-50.94	379.70	8.05	-42.89
CCC[N@H+]1CCCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005807007	1	51	0.0	-65.71	371.59	8.17	-57.54
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005807038	0	51	0.0	-58.63	382.44	8.27	-50.36
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005807038	1	51	0.0	-68.27	374.99	7.81	-60.46
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C[NH+]1CCC(CO)CC1)C2	REAL300005807039	0	49	0.0	-72.64	371.18	4.34	-68.30
O=C([O-])C1=NOC2(C1)CCCN(C(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)C2	REAL300005807142	0	56	0.0	-86.10	421.49	10.38	-75.72
O=C([O-])C1=NOC2(C1)CCCN(C(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)C2	REAL300005807142	1	56	0.0	-74.67	421.54	10.32	-64.35
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005807265	0	51	0.0	-75.50	366.70	7.75	-67.75
CC(C)[N@H+]1CCCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005807265	1	51	0.0	-70.90	368.04	8.05	-62.85
C[N@@H+]1CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C(C(F)(F)F)C1	REAL300005807266	0	45	0.0	-80.98	345.52	6.71	-74.27
C[N@H+]1CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C(C(F)(F)F)C1	REAL300005807266	1	45	0.0	-76.54	360.87	6.90	-69.64
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)N1	REAL300005807291	1	46	0.0	-67.84	368.61	6.55	-61.29
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=C1	REAL300005807780	0	51	0.0	-69.09	398.46	9.21	-59.88
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C=C1	REAL300005807786	0	52	0.0	-74.30	403.81	8.09	-66.21
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300005807882	0	58	0.0	-77.23	437.14	11.17	-66.06
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005807926	0	45	0.0	-76.15	346.59	6.91	-69.24
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)CC1	REAL300005807930	0	51	0.0	-63.43	367.61	7.81	-55.62
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC4(CC(C(=O)[O-])=NO4)C3)=CN21	REAL300005807934	0	43	0.0	-73.46	353.01	8.28	-65.18
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005807998	0	54	0.0	-74.52	398.54	8.80	-65.72
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005807998	1	54	0.0	-62.62	395.53	8.66	-53.96
CC[N@@H+]1CCCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005807999	0	48	0.0	-51.09	349.84	7.47	-43.62
CC[N@H+]1CCCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005807999	1	48	0.0	-77.60	350.11	7.23	-70.37
C[N@@H+]1CCCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005808003	0	45	0.0	-52.27	340.53	6.65	-45.62
C[N@H+]1CCCC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005808003	1	45	0.0	-72.52	333.67	6.88	-65.64
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005808005	1	45	0.0	-88.25	359.08	7.02	-81.23
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005808011	0	54	0.0	-85.78	381.30	7.72	-78.06
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C1	REAL300005808011	1	54	0.0	-86.88	382.14	7.71	-79.17
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300005808014	0	47	0.0	-69.40	355.58	7.53	-61.87
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300005808014	1	47	0.0	-72.81	346.30	8.00	-64.81
COC1(C(F)(F)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300005808098	1	53	0.0	-46.96	387.48	7.45	-39.51
COC1(C(F)(F)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300005808098	1	53	0.0	-44.60	380.03	7.01	-37.59
C[NH+](C)CC(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808438	0	38	0.0	-73.36	319.30	8.15	-65.21
C[N@@H+]1CCCCC1C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808439	0	45	0.0	-73.14	346.93	9.15	-63.99
C[N@H+]1CCCCC1C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808439	1	45	0.0	-70.52	357.73	9.63	-60.89
C[N@@H+]1CCCC[C@H]1C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808449	0	45	0.0	-69.55	357.10	9.67	-59.88
C[N@H+]1CCCC[C@H]1C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808449	1	45	0.0	-71.90	345.81	9.19	-62.71
C[NH+]1CCC(C(=O)N2CCOC3=C(C=C(Br)C=C3C(=O)[O-])C2)CC1	REAL300005808459	0	45	0.0	-76.15	363.61	9.71	-66.44
C[N@@H+]1CCCC1C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808480	0	42	0.0	-67.08	337.83	8.69	-58.39
C[N@H+]1CCCC1C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808480	1	42	0.0	-73.19	337.72	8.72	-64.47
C[NH+]1CCC(C(=O)N2CCOC3=C(C=C(Br)C=C3C(=O)[O-])C2)CC1	REAL300005808497	0	45	0.0	-76.15	363.61	9.71	-66.44
C[C@@H](C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300005808514	0	41	0.0	-69.48	335.32	8.55	-60.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808515	0	42	0.0	-72.55	338.12	8.71	-63.84
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808515	1	42	0.0	-70.26	339.23	8.91	-61.35
C[C@H](C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300005808518	0	41	0.0	-72.24	334.37	8.45	-63.79
C[NH+](C)C1(C(=O)N2CCOC3=C(C=C(Br)C=C3C(=O)[O-])C2)CC1	REAL300005808525	0	42	0.0	-73.12	338.86	8.47	-64.65
C[N@@H+]1CCOC(C(=O)N2CCOC3=C(C=C(Br)C=C3C(=O)[O-])C2)C1	REAL300005808558	1	43	0.0	-78.72	345.79	8.24	-70.48
C[N@H+]1CCOC(C(=O)N2CCOC3=C(C=C(Br)C=C3C(=O)[O-])C2)C1	REAL300005808558	1	43	0.0	-78.64	345.77	8.25	-70.39
C[NH+](C)CC1(C(=O)N2CCOC3=C(C=C(Br)C=C3C(=O)[O-])C2)CC1	REAL300005808564	0	45	0.0	-63.34	366.85	9.65	-53.69
C[NH+](C)CCCCC(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808565	0	47	0.0	-75.45	384.63	10.33	-65.12
CC(C)C(C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300005808569	0	47	0.0	-67.15	360.49	9.57	-57.58
CCC[N@H+](C)CC(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808572	0	44	0.0	-72.57	358.51	9.55	-63.02
CCC[N@@H+](C)CC(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808572	1	44	0.0	-72.73	358.60	9.54	-63.19
C[N@H+](CC(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1)C1CCC1	REAL300005808575	0	45	0.0	-69.77	365.45	10.13	-59.64
C[N@@H+](CC(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1)C1CCC1	REAL300005808575	1	45	0.0	-70.81	365.40	10.11	-60.70
CC[C@@H](C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300005808578	0	44	0.0	-68.51	344.88	8.99	-59.52
CCCC(C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300005808598	0	47	0.0	-69.00	371.35	9.98	-59.02
C[C@@H]1[C@H](C(=O)N2CCOC3=C(C=C(Br)C=C3C(=O)[O-])C2)CC[N@@H+]1C	REAL300005808601	0	45	0.0	-72.43	351.76	9.31	-63.12
C[C@@H]1[C@H](C(=O)N2CCOC3=C(C=C(Br)C=C3C(=O)[O-])C2)CC[N@H+]1C	REAL300005808601	1	45	0.0	-70.15	355.62	9.78	-60.37
O=C([O-])C1=CC(Br)=CC2=C1OCCN(C(=O)C[NH+]1CCCC1)C2	REAL300005808603	0	42	0.0	-71.78	343.54	9.25	-62.53
CC1=[NH+]C=CN1CC(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808604	1	40	0.0	-67.70	347.70	9.74	-57.96
CC[NH+](CC)CC(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300005808620	0	44	0.0	-71.23	355.29	9.49	-61.74
O=C([O-])C1=CC(Br)=CC2=C1OCCN(C(=O)C13CC[NH+](CC1)C3)C2	REAL300005808625	0	43	0.0	-75.46	343.76	8.43	-67.03
CCC(C(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300005808627	0	44	0.0	-67.43	346.57	9.10	-58.33
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CC[C@@H](CC(=O)[O-])NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005811993	1	47	0.0	-55.37	362.55	5.89	-49.48
CC[C@@H](CC(=O)[O-])NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300005811996	0	45	0.0	-54.58	348.38	8.26	-46.32
CC[C@@H](CC(=O)[O-])NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC	REAL300005811998	0	51	0.0	-46.00	381.79	9.53	-36.47
CC[C@@H](CC(=O)[O-])NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1	REAL300005812021	1	52	0.0	-45.44	362.89	7.43	-38.01
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300005812039	1	47	0.0	-75.26	362.29	8.34	-66.92
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300005812039	1	47	0.0	-75.68	362.28	8.35	-67.33
CC[C@@H](CC(=O)[O-])NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300005812083	1	48	0.0	-62.15	363.17	7.52	-54.63
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300005812086	0	54	0.0	-73.78	395.26	8.30	-65.48
CC[C@@H](CC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300005812114	0	49	0.0	-63.01	363.49	9.42	-53.59
CC[C@@H](CC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005812114	1	49	0.0	-66.53	373.85	9.43	-57.10
CC[C@@H](CC(=O)[O-])NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005812128	0	50	0.0	-73.73	391.61	8.90	-64.83
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005812140	0	46	0.0	-66.19	354.21	8.03	-58.16
CC[C@@H](CC(=O)[O-])NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300005812159	0	48	0.0	-63.77	363.14	7.62	-56.15
CC[C@@H](CC(=O)[O-])NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300005812159	1	48	0.0	-60.94	361.72	7.74	-53.20
CC[C@@H](CC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005812311	0	50	0.0	-66.56	378.05	9.93	-56.63
CC[C@@H](CC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005812311	1	50	0.0	-68.84	380.39	9.89	-58.95
CC[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005812338	1	49	0.0	-57.44	363.03	9.42	-48.02
CC[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005812338	1	49	0.0	-48.78	359.91	9.33	-39.45
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300005812668	0	46	0.0	-72.19	357.06	7.74	-64.45
CC[C@@H](CC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005812717	0	52	0.0	-63.61	388.90	10.39	-53.22
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300005812719	1	50	0.0	-73.31	374.63	8.10	-65.21
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300005812719	1	50	0.0	-73.37	374.69	8.10	-65.27
CC[C@@H](CC(=O)[O-])NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300005812757	0	58	0.0	-66.66	425.00	10.91	-55.75
CC[C@@H](CC(=O)[O-])NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300005812757	1	58	0.0	-66.66	425.00	10.91	-55.75
COC1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCC1C(=O)[O-]	REAL300005814088	0	54	0.0	-75.80	402.81	10.61	-65.19
COC1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005814833	0	51	0.0	-65.17	385.47	9.31	-55.86
COC1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005814833	1	51	0.0	-66.19	379.12	9.54	-56.65
COC1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCC1C(=O)[O-]	REAL300005815681	1	51	0.0	-65.88	395.77	10.05	-55.83
COC1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CCC1C(=O)[O-]	REAL300005815681	1	51	0.0	-67.87	400.91	9.80	-58.07
COC1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCC1C(=O)[O-]	REAL300005815757	0	48	0.0	-69.02	351.46	8.29	-60.73
COC1CN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)CCC1C(=O)[O-]	REAL300005815790	1	46	0.0	-64.78	350.87	7.90	-56.88
COC1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005815791	0	54	0.0	-65.22	404.06	9.80	-55.42
COC1CN(C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)CCC1C(=O)[O-]	REAL300005815865	1	53	0.0	-77.07	410.33	8.00	-69.07
COC1CN(C(=O)C(C)N2CC[NH+](C)CC2)CCC1C(=O)[O-]	REAL300005815866	1	49	0.0	-71.49	350.83	4.85	-66.64
COC1CN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300005815951	0	57	0.0	-75.88	436.51	9.57	-66.31
COC1CN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)CCC1C(=O)[O-]	REAL300005815963	0	57	0.0	-78.88	437.74	12.08	-66.80
COC1CN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)CCC1C(=O)[O-]	REAL300005815963	1	57	0.0	-77.18	439.37	12.15	-65.03
COC1CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CCC1C(=O)[O-]	REAL300005815965	0	57	0.0	-67.81	407.61	10.31	-57.50
COC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCC1C(=O)[O-]	REAL300005816024	0	39	0.0	-70.91	311.11	8.54	-62.37
COC1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCC1C(=O)[O-]	REAL300005816054	0	53	0.0	-63.62	354.90	8.29	-55.33
COC1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCC1C(=O)[O-]	REAL300005816058	0	53	0.0	-70.80	380.92	8.42	-62.38
COC1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCC1C(=O)[O-]	REAL300005816058	1	53	0.0	-70.21	380.92	8.43	-61.78
COC1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCC1C(=O)[O-]	REAL300005816080	1	54	0.0	-67.73	394.99	10.10	-57.63
COC1CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCC1C(=O)[O-]	REAL300005816080	1	54	0.0	-62.63	405.52	10.56	-52.07
COC1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCC1C(=O)[O-]	REAL300005816081	1	51	0.0	-66.72	385.45	9.60	-57.12
COC1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCC1C(=O)[O-]	REAL300005816081	1	51	0.0	-68.85	390.59	9.34	-59.51
COC1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCC1C(=O)[O-]	REAL300005816137	0	47	0.0	-74.86	370.93	7.08	-67.78
COC1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CCC1C(=O)[O-]	REAL300005816165	0	54	0.0	-65.91	377.94	9.78	-56.13
COC1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CCC1C(=O)[O-]	REAL300005816165	1	54	0.0	-65.15	375.40	9.14	-56.01
COC1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CCC1C(=O)[O-]	REAL300005816166	0	55	0.0	-80.04	393.66	6.94	-73.10
COC1CN(C(=O)CCCN2C=C[NH+]=C2C)CCC1C(=O)[O-]	REAL300005816198	1	45	0.0	-68.46	353.42	7.73	-60.73
COC1CN(C(=O)CCCC[NH+]2CCOCC2)CCC1C(=O)[O-]	REAL300005816199	1	51	0.0	-75.74	380.94	7.07	-68.67
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1)C(C)C	REAL300005816201	0	56	0.0	-73.39	404.39	9.39	-64.00
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1)C(C)C	REAL300005816201	1	56	0.0	-73.69	399.14	9.13	-64.56
COC1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300005816225	0	51	0.0	-74.20	384.95	8.99	-65.21
COC1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300005816225	1	51	0.0	-70.43	384.34	9.16	-61.27
COC1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CCC1C(=O)[O-]	REAL300005816226	0	52	0.0	-79.08	381.64	8.33	-70.75
COC1CN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)CCC1C(=O)[O-]	REAL300005816254	1	56	0.0	-73.40	415.38	8.31	-65.09
COC1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCC1C(=O)[O-]	REAL300005816255	0	55	0.0	-73.85	382.39	6.65	-67.20
CCC(C(=O)N1CCC(C(=O)[O-])C(OC)C1)[NH+](CC)CC	REAL300005816259	0	49	0.0	-60.87	341.85	7.21	-53.66
COC1CN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005816261	0	50	0.0	-66.67	375.58	8.75	-57.92
COC1CN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005816261	1	50	0.0	-68.76	375.58	8.71	-60.05
COC1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300005816272	0	57	0.0	-79.70	429.16	10.71	-68.99
COC1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300005816272	1	57	0.0	-77.10	428.61	10.70	-66.40
COC1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)CCC1C(=O)[O-]	REAL300005816300	0	46	0.0	-76.55	356.09	6.11	-70.44
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005816311	0	55	0.0	-70.87	404.99	9.04	-61.83
COC1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CCC1C(=O)[O-]	REAL300005816312	1	55	0.0	-60.28	400.43	6.10	-54.18
CC[N@H+](C)C(C(=O)N1CCC(C(=O)[O-])C(OC)C1)C1=CC=CC=C1	REAL300005816313	0	50	0.0	-60.22	365.04	8.66	-51.56
CC[N@@H+](C)C(C(=O)N1CCC(C(=O)[O-])C(OC)C1)C1=CC=CC=C1	REAL300005816313	1	50	0.0	-58.32	370.68	8.68	-49.64
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])C(OC)C1)C1=CC=CC=C1	REAL300005816318	0	53	0.0	-61.15	380.95	9.63	-51.52
COC1CN(C(=O)CN2C=C[NH+]=C2C(C)C)CCC1C(=O)[O-]	REAL300005816325	1	45	0.0	-63.00	348.16	8.25	-54.75
COC1CN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)CCC1C(=O)[O-]	REAL300005816327	1	47	0.0	-65.70	367.51	9.15	-56.55
COC1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCC1C(=O)[O-]	REAL300005816341	0	51	0.0	-79.01	384.14	9.07	-69.94
COC1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCC1C(=O)[O-]	REAL300005816348	0	54	0.0	-71.90	404.23	10.41	-61.49
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C(=O)[O-])C(OC)C3)CC2)CC1	REAL300005816355	0	62	0.0	-71.40	432.91	8.13	-63.27
COC1CN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)CCC1C(=O)[O-]	REAL300005816362	1	58	0.0	-79.86	435.96	8.89	-70.97
COC1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CCC1C(=O)[O-]	REAL300005816373	1	55	0.0	-78.83	416.94	10.00	-68.83
COC1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CCC1C(=O)[O-]	REAL300005816373	1	55	0.0	-81.10	418.38	9.94	-71.16
COC1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005816389	0	54	0.0	-65.14	399.69	10.57	-54.57
COC1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005816389	1	54	0.0	-62.40	400.60	10.45	-51.95
COC1CN(C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)CCC1C(=O)[O-]	REAL300005816391	1	45	0.0	-79.22	355.83	6.86	-72.36
COC1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCC1C(=O)[O-]	REAL300005816399	0	54	0.0	-77.10	402.62	9.85	-67.25
COC1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCC1C(=O)[O-]	REAL300005816411	1	47	0.0	-78.17	365.14	7.80	-70.37
COC1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300005816412	0	50	0.0	-78.81	383.54	8.84	-69.97
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005816423	1	43	0.0	-63.30	335.41	5.96	-57.34
COC1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCC1C(=O)[O-]	REAL300005816424	1	52	0.0	-77.11	387.09	9.01	-68.10
COC1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCC1C(=O)[O-]	REAL300005816424	1	52	0.0	-75.84	385.12	8.42	-67.42
COC1CN(C(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)CCC1C(=O)[O-]	REAL300005816438	0	60	0.0	-66.48	438.77	11.22	-55.26
COC1CN(C(=O)C(C)[NH+]2CCSCC2)CCC1C(=O)[O-]	REAL300005816479	1	45	0.0	-68.06	331.78	6.44	-61.62
COC1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCC1C(=O)[O-]	REAL300005816485	0	49	0.0	-66.15	352.27	7.34	-58.81
COC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCC1C(=O)[O-]	REAL300005816485	1	49	0.0	-66.81	350.35	7.18	-59.63
COC1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005816487	0	50	0.0	-70.89	381.59	9.22	-61.67
COC1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005816487	1	50	0.0	-70.93	381.58	9.22	-61.71
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005816488	0	54	0.0	-70.42	410.57	5.45	-64.97
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005816488	1	54	0.0	-72.60	410.64	5.46	-67.14
COC1CN(C(=O)CC2(O)CCC[N@H+](C)C2)CCC1C(=O)[O-]	REAL300005816492	0	48	0.0	-71.76	341.19	5.61	-66.15
COC1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)CCC1C(=O)[O-]	REAL300005816492	1	48	0.0	-71.72	351.50	5.83	-65.89
COC1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1C(=O)[O-]	REAL300005816502	0	59	0.0	-75.93	436.75	8.96	-66.97
COC1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CCC1C(=O)[O-]	REAL300005816503	1	53	0.0	-68.35	394.58	8.78	-59.57
COC1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CCC1C(=O)[O-]	REAL300005816503	1	53	0.0	-72.16	386.72	8.46	-63.70
COC1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CCC1C(=O)[O-]	REAL300005816504	1	53	0.0	-72.15	386.75	8.47	-63.68
COC1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CCC1C(=O)[O-]	REAL300005816504	1	53	0.0	-70.57	393.52	8.83	-61.74
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005816506	0	52	0.0	-68.40	386.20	8.53	-59.87
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005816506	1	52	0.0	-68.22	386.18	8.53	-59.69
COC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CCC1C(=O)[O-]	REAL300005816518	1	39	0.0	-77.55	317.42	8.80	-68.75
COC1CN(C(=O)C[N@H+](C)C2CCSC2)CCC1C(=O)[O-]	REAL300005816536	0	45	0.0	-70.40	343.23	6.99	-63.41
COC1CN(C(=O)C[N@@H+](C)C2CCSC2)CCC1C(=O)[O-]	REAL300005816536	1	45	0.0	-73.03	341.94	7.01	-66.02
COC1CN(C(=O)CCN2CC[NH+](C(C)C)CC2)CCC1C(=O)[O-]	REAL300005816552	0	55	0.0	-70.80	397.80	6.00	-64.80
COC1CN(C(=O)CC[NH+]2CCN(C(C)C)CC2)CCC1C(=O)[O-]	REAL300005816552	1	55	0.0	-70.31	394.29	5.80	-64.51
COC1CN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CCC1C(=O)[O-]	REAL300005816553	0	58	0.0	-69.18	419.30	6.80	-62.38
COC1CN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CCC1C(=O)[O-]	REAL300005816553	1	58	0.0	-71.93	416.12	6.63	-65.30
COC1CN(C(=O)C2CCCC3CCC[N@@H+]32)CCC1C(=O)[O-]	REAL300005816554	0	48	0.0	-60.31	348.27	7.99	-52.32
COC1CN(C(=O)C2CCCC3CCC[N@H+]32)CCC1C(=O)[O-]	REAL300005816554	1	48	0.0	-61.17	347.41	8.23	-52.94
COC1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)CCC1C(=O)[O-]	REAL300005816556	0	47	0.0	-79.34	363.76	5.95	-73.39
COC1CN(C(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)CCC1C(=O)[O-]	REAL300005816563	0	59	0.0	-76.84	436.89	9.49	-67.35
COC1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1C(=O)[O-]	REAL300005816565	0	56	0.0	-74.90	415.25	8.18	-66.72
COC1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCC1C(=O)[O-]	REAL300005816568	0	53	0.0	-75.28	398.20	8.86	-66.42
COC1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCC1C(=O)[O-]	REAL300005816568	1	53	0.0	-74.74	397.90	8.64	-66.10
COC1CN(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)CCC1C(=O)[O-]	REAL300005816573	1	51	0.0	-67.44	376.87	9.68	-57.76
COC1CN(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)CCC1C(=O)[O-]	REAL300005816573	1	51	0.0	-67.27	377.90	9.89	-57.38
CCC(CC)C(C(=O)N1CCC(C(=O)[O-])C(OC)C1)[NH+]1CCOCC1	REAL300005816592	1	57	0.0	-59.86	385.88	7.08	-52.78
COC1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300005816601	0	54	0.0	-74.37	407.00	10.66	-63.71
COC1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300005816601	1	54	0.0	-77.36	409.03	10.63	-66.73
COC1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300005816616	0	47	0.0	-81.08	367.18	6.53	-74.55
COC1CN(C(=O)C2=CC=NN2CC[NH+](C)C)CCC1C(=O)[O-]	REAL300005816617	0	47	0.0	-66.44	359.75	6.48	-59.96
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005816623	1	48	0.0	-64.11	368.41	8.04	-56.07
COC1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)CCC1C(=O)[O-]	REAL300005816628	1	48	0.0	-76.15	358.32	6.32	-69.83
COC1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)CCC1C(=O)[O-]	REAL300005816628	1	48	0.0	-78.84	365.34	6.77	-72.07
COC1CN(C(=O)C2C[N@H+](C)CC(C)O2)CCC1C(=O)[O-]	REAL300005816634	1	45	0.0	-80.27	331.46	6.30	-73.97
COC1CN(C(=O)C2C[N@@H+](C)CC(C)O2)CCC1C(=O)[O-]	REAL300005816634	1	45	0.0	-76.61	332.37	5.31	-71.30
COC1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCC1C(=O)[O-]	REAL300005816640	0	54	0.0	-72.28	409.81	9.97	-62.31
COC1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCC1C(=O)[O-]	REAL300005816640	1	54	0.0	-74.79	409.44	10.56	-64.23
COC1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CCC1C(=O)[O-]	REAL300005816641	1	50	0.0	-62.24	375.81	7.93	-54.31
COC1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CCC1C(=O)[O-]	REAL300005816641	1	50	0.0	-62.99	374.95	7.78	-55.21
COC1CN(C(=O)C(C)C[NH+]2CCOCC2)CCC1C(=O)[O-]	REAL300005816646	0	48	0.0	-72.11	351.57	5.95	-66.16
COC1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCC1C(=O)[O-]	REAL300005816647	0	55	0.0	-74.93	412.47	7.54	-67.39
CC[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])C(OC)C2)C1	REAL300005816669	1	45	0.0	-74.99	329.29	5.45	-69.54
CC[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])C(OC)C2)C1	REAL300005816669	1	45	0.0	-72.34	326.23	5.50	-66.84
COC1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CCC1C(=O)[O-]	REAL300005816703	0	54	0.0	-74.03	387.35	8.48	-65.55
COC1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CCC1C(=O)[O-]	REAL300005816703	1	54	0.0	-71.70	384.44	9.16	-62.54
COC1CN(C(=O)C23CCC[NH+](CCC2)C3)CCC1C(=O)[O-]	REAL300005816722	0	48	0.0	-71.08	330.29	6.45	-64.63
COC1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCC1C(=O)[O-]	REAL300005816726	0	45	0.0	-71.42	317.84	2.87	-68.55
COC1CN(C(=O)C2(C)CC(O)C[N@H+]2C)CCC1C(=O)[O-]	REAL300005816726	1	45	0.0	-68.40	323.51	2.92	-65.48
COC1CN(C(=O)C2CCC3CCCC[N@@H+]32)CCC1C(=O)[O-]	REAL300005816727	0	48	0.0	-64.96	349.82	7.49	-57.47
COC1CN(C(=O)C2CCC3CCCC[N@H+]32)CCC1C(=O)[O-]	REAL300005816727	1	48	0.0	-65.52	345.13	7.22	-58.30
COC1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCC1C(=O)[O-]	REAL300005816735	0	51	0.0	-67.67	354.79	5.42	-62.25
COC1CN(C(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)CCC1C(=O)[O-]	REAL300005816740	0	60	0.0	-68.65	421.34	8.66	-59.99
COC1CN(C(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)CCC1C(=O)[O-]	REAL300005816740	1	60	0.0	-74.86	426.47	8.49	-66.37
COC1CN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)CCC1C(=O)[O-]	REAL300005816741	0	54	0.0	-83.07	387.32	6.81	-76.26
COC1CN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)CCC1C(=O)[O-]	REAL300005816741	1	54	0.0	-73.23	386.56	7.57	-65.66
COC1CN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)CCC1C(=O)[O-]	REAL300005816746	0	56	0.0	-72.77	421.29	7.98	-64.79
COC1CN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)CCC1C(=O)[O-]	REAL300005816747	0	56	0.0	-77.62	417.94	7.35	-70.27
COC1CN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)CCC1C(=O)[O-]	REAL300005816747	1	56	0.0	-78.53	419.14	7.30	-71.23
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300005816748	0	57	0.0	-74.04	421.39	8.82	-65.22
COC1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCC1C(=O)[O-]	REAL300005816755	0	50	0.0	-68.65	357.19	7.31	-61.34
COC1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCC1C(=O)[O-]	REAL300005816874	0	58	0.0	-81.08	434.33	7.16	-73.92
COC1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)CCC1C(=O)[O-]	REAL300005816878	0	47	0.0	-72.57	362.67	8.55	-64.02
COC1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300005816879	0	54	0.0	-68.23	395.49	10.56	-57.67
COC1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300005816879	1	54	0.0	-69.62	394.07	10.68	-58.94
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C(OC)C2)CC1	REAL300005816947	0	46	0.0	-72.42	351.70	7.56	-64.86
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005816949	0	50	0.0	-65.76	362.43	8.25	-57.51
CCC[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005816949	1	50	0.0	-66.16	352.65	7.84	-58.32
COC1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)CCC1C(=O)[O-]	REAL300005816951	0	47	0.0	-58.75	355.27	8.45	-50.30
CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])C(OC)C2)CC1	REAL300005816953	0	52	0.0	-71.15	380.62	6.19	-64.96
CCN1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])C(OC)C2)CC1	REAL300005816953	1	52	0.0	-70.33	381.06	5.48	-64.85
COC1CN(C(=O)C(C(C)C)[NH+]2CCCCC2)CCC1C(=O)[O-]	REAL300005816955	0	53	0.0	-66.27	365.09	8.80	-57.47
COC1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)CCC1C(=O)[O-]	REAL300005816956	1	47	0.0	-66.76	353.88	8.66	-58.10
COC1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300005816960	0	52	0.0	-68.87	394.97	6.70	-62.17
COC1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300005816960	1	52	0.0	-68.64	390.32	6.81	-61.83
COC1CN(C(=O)CCN2C=C[NH+]=C2C(C)C)CCC1C(=O)[O-]	REAL300005816966	1	48	0.0	-63.31	367.91	7.99	-55.32
COC1CN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)CCC1C(=O)[O-]	REAL300005816967	0	50	0.0	-66.22	387.58	8.50	-57.72
COC1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CCC1C(=O)[O-]	REAL300005816972	0	51	0.0	-63.75	361.79	8.85	-54.90
COC1CN(C(=O)C2CCC[N@H+]2C2CCCC2)CCC1C(=O)[O-]	REAL300005816972	1	51	0.0	-65.54	368.12	8.71	-56.83
COC1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CCC1C(=O)[O-]	REAL300005816999	1	52	0.0	-61.24	391.75	10.20	-51.04
COC1CN(C(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)CCC1C(=O)[O-]	REAL300005817000	1	57	0.0	-60.43	393.30	7.24	-53.19
COC1CN(C(=O)C(C)[NH+]2CCCCCC2)CCC1C(=O)[O-]	REAL300005817001	0	50	0.0	-62.58	350.11	7.21	-55.37
COC1CN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)CCC1C(=O)[O-]	REAL300005817036	1	52	0.0	-82.44	396.16	8.40	-74.04
COC1CN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)CCC1C(=O)[O-]	REAL300005817036	1	52	0.0	-82.22	396.18	8.39	-73.83
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C(OC)C2)O1	REAL300005817094	0	50	0.0	-73.08	381.66	7.82	-65.26
COC1CN(C(=O)CCCC[NH+]2CCCC2)CCC1C(=O)[O-]	REAL300005817095	0	50	0.0	-72.62	374.01	8.79	-63.83
COC1CN(C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)CCC1C(=O)[O-]	REAL300005817097	1	53	0.0	-68.69	396.37	7.77	-60.92
COC1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005817098	1	47	0.0	-70.50	359.20	8.37	-62.13
COC1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300005817098	1	47	0.0	-70.79	359.11	8.37	-62.42
COC1CN(C(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)CCC1C(=O)[O-]	REAL300005817102	0	59	0.0	-76.27	429.12	8.35	-67.92
COC1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCC1C(=O)[O-]	REAL300005817117	1	42	0.0	-76.11	339.99	6.55	-69.56
COC1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)CCC1C(=O)[O-]	REAL300005817146	1	43	0.0	-78.98	338.46	6.58	-72.40
COC1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)CCC1C(=O)[O-]	REAL300005817151	0	54	0.0	-68.64	404.04	10.24	-58.40
COC1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)CCC1C(=O)[O-]	REAL300005817151	1	54	0.0	-71.71	404.05	10.15	-61.56
COC1CN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300005817175	0	55	0.0	-77.56	423.83	9.26	-68.30
COC1CN(C(=O)COC2CC[NH+](C)CC2)CCC1C(=O)[O-]	REAL300005817192	0	48	0.0	-77.46	362.64	7.60	-69.86
COC1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCC1C(=O)[O-]	REAL300005817198	0	51	0.0	-75.47	387.49	8.24	-67.23
COC1CN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CCC1C(=O)[O-]	REAL300005817239	0	53	0.0	-74.84	396.00	8.49	-66.35
COC1CN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CCC1C(=O)[O-]	REAL300005817239	1	53	0.0	-63.72	391.37	8.28	-55.44
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C(OC)C2)C1	REAL300005817382	0	50	0.0	-72.83	369.28	7.68	-65.15
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C(OC)C2)C1	REAL300005817382	1	50	0.0	-64.78	357.55	8.37	-56.41
COC1CN(C(=O)C2CCC[N@@H+]2CC(C)C)CCC1C(=O)[O-]	REAL300005817415	0	50	0.0	-64.59	363.63	8.24	-56.35
COC1CN(C(=O)C2CCC[N@H+]2CC(C)C)CCC1C(=O)[O-]	REAL300005817415	1	50	0.0	-65.69	361.81	8.18	-57.51
COC1CN(C(=O)C[NH+]2CCC(CO)CC2)CCC1C(=O)[O-]	REAL300005817416	0	48	0.0	-68.20	355.89	3.95	-64.25
COC1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CCC1C(=O)[O-]	REAL300005817513	0	55	0.0	-64.91	406.03	10.54	-54.37
COC1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CCC1C(=O)[O-]	REAL300005817513	1	55	0.0	-77.02	407.13	10.68	-66.34
COC1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCC1C(=O)[O-]	REAL300005817551	1	54	0.0	-69.87	398.27	10.37	-59.50
COC1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CCC1C(=O)[O-]	REAL300005817551	1	54	0.0	-70.91	404.99	10.67	-60.24
COC1CN(C(=O)C2CCC[N@@H+](C(C)C)C2)CCC1C(=O)[O-]	REAL300005817639	0	50	0.0	-62.35	352.98	8.28	-54.07
COC1CN(C(=O)C2CCC[N@H+](C(C)C)C2)CCC1C(=O)[O-]	REAL300005817639	1	50	0.0	-69.26	362.74	8.07	-61.19
COC1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)CCC1C(=O)[O-]	REAL300005817640	0	44	0.0	-80.66	325.05	7.16	-73.50
COC1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)CCC1C(=O)[O-]	REAL300005817640	1	44	0.0	-70.20	342.38	6.32	-63.88
COC1CN(C(=O)CCC2=[NH+]C(C)=C(C)N2)CCC1C(=O)[O-]	REAL300005817666	1	45	0.0	-65.62	352.93	6.76	-58.86
COC1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)CCC1C(=O)[O-]	REAL300005818145	0	50	0.0	-75.13	385.16	9.40	-65.73
COC1CN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300005818152	0	51	0.0	-75.75	390.88	7.78	-67.97
COC1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCC1C(=O)[O-]	REAL300005818241	0	57	0.0	-73.46	422.20	10.78	-62.68
COC1CN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)CCC1C(=O)[O-]	REAL300005818243	1	55	0.0	-81.71	408.62	8.16	-73.55
COC1CN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)CCC1C(=O)[O-]	REAL300005818243	1	55	0.0	-82.42	411.56	8.12	-74.30
COC1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCC1C(=O)[O-]	REAL300005818288	0	50	0.0	-70.68	351.37	7.98	-62.70
COC1CN(C(=O)C2CCC[N@H+](CC(C)C)C2)CCC1C(=O)[O-]	REAL300005818355	0	53	0.0	-66.74	374.17	9.20	-57.54
COC1CN(C(=O)C2CCC[N@@H+](CC(C)C)C2)CCC1C(=O)[O-]	REAL300005818355	1	53	0.0	-66.74	374.17	9.20	-57.54
COC1CN(C(=O)C2=CC=C(CN(C)C)O2)CCC1C(=O)[O-]	REAL300005818361	0	44	0.0	-76.12	345.90	6.36	-69.76
COC1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)CCC1C(=O)[O-]	REAL300005818361	1	44	0.0	-76.12	345.90	6.36	-69.76
COC1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CCC1C(=O)[O-]	REAL300005818367	0	53	0.0	-78.07	358.06	7.46	-70.61
COC1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CCC1C(=O)[O-]	REAL300005818367	1	53	0.0	-78.07	358.06	7.46	-70.61
COC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCC1C(=O)[O-]	REAL300005818370	0	46	0.0	-58.53	332.03	8.39	-50.14
O=C([O-])C1CCCN(CC(=O)NC2=C3C=COC3=CC=N2)C1	REAL300005818408	0	39	0.0	-54.55	314.50	7.38	-47.17
O=C([O-])C1CCC[N@H+](CC(=O)NC2=C3C=COC3=CC=N2)C1	REAL300005818408	1	39	0.0	-53.73	313.30	7.35	-46.38
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=C3C=COC3=CC=N2)C1	REAL300005818408	1	39	0.0	-53.73	313.30	7.35	-46.38
CC(CC1=CNC2=CC(F)=C(F)C=C12)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005818551	0	50	0.0	-49.87	392.15	9.40	-40.47
CC(CC1=CNC2=CC(F)=C(F)C=C12)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005818551	1	50	0.0	-49.87	392.15	9.40	-40.47
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005819654	0	57	0.0	-77.57	430.20	12.24	-65.33
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005820977	0	51	0.0	-71.67	370.22	10.45	-61.22
CC1=[NH+]C=C2CCC(C(=O)NC(CC3CC=CCC3)C(=O)[O-])CN21	REAL300005821004	1	49	0.0	-61.68	377.45	9.78	-51.90
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3CC=CCC3)C(=O)[O-])CC2)=CS1	REAL300005821067	1	56	0.0	-74.49	437.64	10.00	-64.49
CC(C(=O)NC(CC1CC=CCC1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005821068	1	52	0.0	-69.40	374.16	7.49	-61.91
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300005821140	0	60	0.0	-78.21	463.17	11.78	-66.43
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005821197	0	42	0.0	-68.79	334.57	11.33	-57.46
C[NH+](C)CC1(C(=O)NC(CC2CC=CCC2)C(=O)[O-])CCCCC1	REAL300005821225	0	56	0.0	-63.21	372.57	11.46	-51.75
C[N@H+](CCC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CCCCC1	REAL300005821229	0	56	0.0	-65.87	403.06	11.34	-54.53
C[N@@H+](CCC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CCCCC1	REAL300005821229	1	56	0.0	-66.61	403.06	11.35	-55.26
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005821290	0	50	0.0	-80.97	393.65	10.44	-70.53
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005821305	0	58	0.0	-75.60	420.00	9.34	-66.26
CC1=[NH+]C=CN1CCCC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821332	1	48	0.0	-64.98	379.25	9.97	-55.01
O=C([O-])C(CC1CC=CCC1)NC(=O)CCCC[NH+]1CCOCC1	REAL300005821333	1	54	0.0	-73.67	402.94	9.33	-64.34
CC[N@H+](CC1=CC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1)C(C)C	REAL300005821334	0	59	0.0	-78.02	435.94	12.14	-65.88
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1)C(C)C	REAL300005821334	1	59	0.0	-78.17	426.65	11.69	-66.48
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005821353	0	54	0.0	-65.08	413.52	11.54	-53.54
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CCC(C(=O)NC(CC1CC=CCC1)C(=O)[O-])[NH+](CC)CC	REAL300005821386	0	52	0.0	-52.58	363.04	9.68	-42.90
CC(C(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005821388	0	53	0.0	-61.80	404.10	10.99	-50.81
CC(C(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005821388	1	53	0.0	-57.92	404.07	10.99	-46.93
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005821396	0	60	0.0	-68.68	444.21	13.71	-54.97
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005821396	1	60	0.0	-68.06	451.92	13.12	-54.94
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C=N1	REAL300005821410	0	49	0.0	-76.67	382.94	9.10	-67.57
CCC[NH+](CCC)CCCC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821417	0	58	0.0	-67.73	422.51	11.73	-56.00
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821425	1	48	0.0	-56.24	373.95	9.81	-46.43
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O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005821444	0	57	0.0	-72.29	424.12	13.14	-59.15
CCN1CCC([NH+]2CCC(C(=O)NC(CC3CC=CCC3)C(=O)[O-])CC2)CC1	REAL300005821449	0	65	0.0	-72.99	459.17	9.78	-63.21
O=C([O-])C(CC1CC=CCC1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005821468	1	58	0.0	-78.44	443.38	11.54	-66.90
O=C([O-])C(CC1CC=CCC1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005821468	1	58	0.0	-78.10	432.25	12.23	-65.87
CC1=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005821483	1	48	0.0	-79.11	380.41	9.64	-69.47
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005821486	0	57	0.0	-81.23	427.68	12.37	-68.86
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005821497	1	50	0.0	-76.68	393.60	9.20	-67.48
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300005821498	0	53	0.0	-84.38	408.92	11.41	-72.97
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821504	1	46	0.0	-57.56	358.21	8.17	-49.39
O=C([O-])C(CC1CC=CCC1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005821505	1	55	0.0	-72.61	414.97	10.84	-61.77
O=C([O-])C(CC1CC=CCC1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005821505	1	55	0.0	-68.13	418.58	11.82	-56.31
CC(C(=O)NC(CC1CC=CCC1)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005821514	0	63	0.0	-59.50	462.63	14.28	-45.22
C[N@H+](CC(=O)NC(CC1CC=CCC1)C(=O)[O-])CC(C)(C)C	REAL300005821554	0	52	0.0	-57.40	376.11	9.48	-47.92
C[N@@H+](CC(=O)NC(CC1CC=CCC1)C(=O)[O-])CC(C)(C)C	REAL300005821554	1	52	0.0	-57.93	379.15	9.65	-48.28
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821556	0	53	0.0	-61.64	408.25	11.46	-50.18
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821556	1	53	0.0	-61.67	408.25	11.47	-50.20
COCCOCC[N@H+](C)CCC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821557	0	57	0.0	-65.47	432.79	8.35	-57.12
COCCOCC[N@@H+](C)CCC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821557	1	57	0.0	-66.25	437.32	7.63	-58.62
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300005821560	0	51	0.0	-63.54	369.45	7.22	-56.32
C[N@H+]1CCCC(O)(CC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300005821560	1	51	0.0	-67.01	366.02	7.31	-59.70
O=C([O-])C(CC1CC=CCC1)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005821570	0	62	0.0	-72.73	458.72	11.95	-60.78
CCCCCC[N@H+](C)CC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821572	0	55	0.0	-59.30	412.74	10.85	-48.45
CCCCCC[N@@H+](C)CC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821572	1	55	0.0	-58.84	412.00	10.83	-48.01
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005821586	1	42	0.0	-75.96	335.00	11.32	-64.64
C[N@H+](CC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CCSC1	REAL300005821601	0	48	0.0	-64.42	363.89	10.05	-54.37
C[N@@H+](CC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CCSC1	REAL300005821601	1	48	0.0	-62.65	368.38	9.27	-53.38
CC(C)[NH+]1CCN(CCC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300005821614	0	58	0.0	-69.46	424.61	8.19	-61.27
CC(C)N1CC[NH+](CCC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300005821614	1	58	0.0	-64.44	416.07	8.78	-55.66
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300005821615	0	61	0.0	-70.91	445.99	8.99	-61.92
CC(C)N1CC[NH+](CCCC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300005821615	1	61	0.0	-68.61	437.56	9.57	-59.04
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005821616	0	51	0.0	-57.55	356.97	10.25	-47.30
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300005821616	1	51	0.0	-52.03	373.31	9.93	-42.10
C[NH+](C)CCN1C=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C=N1	REAL300005821618	0	50	0.0	-79.85	389.11	9.24	-70.61
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC3CC=CCC3)C(=O)[O-])CC2)=C1	REAL300005821621	0	62	0.0	-69.06	463.35	11.01	-58.05
O=C([O-])C(CC1CC=CCC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005821623	0	59	0.0	-68.77	437.21	11.14	-57.63
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005821625	0	56	0.0	-68.61	416.84	11.02	-57.59
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005821625	1	56	0.0	-66.81	425.09	10.33	-56.48
CC(C(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005821630	1	54	0.0	-59.56	399.59	12.30	-47.26
CC(C(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005821630	1	54	0.0	-57.47	395.78	12.11	-45.36
O=C([O-])C(CC1CC=CCC1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005821650	0	57	0.0	-73.53	429.61	12.98	-60.55
O=C([O-])C(CC1CC=CCC1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005821650	1	57	0.0	-71.52	431.88	12.23	-59.29
C[NH+](C)CCN1C=CC(C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300005821664	0	50	0.0	-87.14	389.33	9.25	-77.89
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821665	0	50	0.0	-54.06	388.07	8.53	-45.53
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821666	1	51	0.0	-60.24	394.85	10.29	-49.95
CC[C@@H]1[C@@H](C(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@@H+]1C	REAL300005821669	0	50	0.0	-70.75	366.02	8.69	-62.06
CC[C@@H]1[C@@H](C(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@H+]1C	REAL300005821669	1	50	0.0	-65.87	371.27	9.03	-56.84
CC1C[N@H+](C)CC(C(=O)NC(CC2CC=CCC2)C(=O)[O-])O1	REAL300005821679	1	48	0.0	-78.91	360.94	8.20	-70.71
CC1C[N@@H+](C)CC(C(=O)NC(CC2CC=CCC2)C(=O)[O-])O1	REAL300005821679	1	48	0.0	-71.18	360.99	8.19	-62.99
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005821683	0	57	0.0	-68.22	428.08	12.91	-55.31
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005821683	1	57	0.0	-66.60	436.63	12.28	-54.32
CC(C[NH+]1CCOCC1)C(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821688	0	51	0.0	-66.98	375.95	8.47	-58.51
O=C([O-])C(CC1CC=CCC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005821689	0	58	0.0	-69.66	435.22	10.49	-59.17
CC1CC[NH+](CC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300005821699	0	50	0.0	-59.03	367.36	10.31	-48.72
CC[N@@H+]1CCOC(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300005821712	1	48	0.0	-51.70	352.36	8.73	-42.97
CC[N@H+]1CCOC(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300005821712	1	48	0.0	-69.75	364.24	8.12	-61.63
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300005821743	1	57	0.0	-77.97	425.80	10.50	-67.47
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005821744	0	57	0.0	-65.28	405.68	11.61	-53.67
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005821744	1	57	0.0	-66.00	414.09	10.92	-55.08
C[N@@H+]1CCCC1CCC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821750	0	50	0.0	-71.41	376.48	9.50	-61.91
C[N@H+]1CCCC1CCC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300005821750	1	50	0.0	-67.42	365.69	9.82	-57.60
O=C([O-])C(CC1CC=CCC1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005821762	0	51	0.0	-55.63	371.66	10.71	-44.92
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CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005825838	1	44	0.0	-60.32	366.92	9.70	-50.62
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C[NH+](C)CCCCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005825872	0	45	0.0	-75.35	366.39	9.16	-66.19
CC1=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005825893	1	44	0.0	-77.76	375.37	8.82	-68.94
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O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005825908	1	46	0.0	-74.60	384.61	9.06	-65.54
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300005825909	0	49	0.0	-87.63	401.91	11.28	-76.35
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005825915	1	42	0.0	-55.39	350.51	8.04	-47.35
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C[N@@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCC1	REAL300005825936	1	43	0.0	-59.17	347.14	9.00	-50.17
C[N@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC(C)(C)C	REAL300005825963	0	48	0.0	-61.32	368.86	9.44	-51.88
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C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005825965	0	49	0.0	-64.93	400.41	11.40	-53.53
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005825965	1	49	0.0	-64.15	400.16	11.47	-52.68
COCCOCC[N@H+](C)CCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005825966	0	53	0.0	-68.53	429.43	7.57	-60.96
COCCOCC[N@@H+](C)CCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005825966	1	53	0.0	-71.69	429.45	7.59	-64.10
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005825970	0	47	0.0	-63.95	368.47	7.45	-56.50
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005825970	1	47	0.0	-59.26	370.68	7.35	-51.91
CCCCCC[N@H+](C)CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005825982	0	51	0.0	-63.35	404.99	10.72	-52.63
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005825982	1	51	0.0	-56.84	404.94	10.71	-46.13
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005825996	1	38	0.0	-80.43	331.71	10.49	-69.94
C[N@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCSC1	REAL300005826009	0	44	0.0	-57.61	360.46	9.26	-48.35
C[N@@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCSC1	REAL300005826009	1	44	0.0	-64.16	362.02	9.17	-54.99
CC(C)[NH+]1CCN(CCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826024	0	54	0.0	-74.48	416.62	8.13	-66.35
CC(C)N1CC[NH+](CCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826024	1	54	0.0	-68.41	412.93	7.92	-60.49
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826025	0	57	0.0	-71.22	437.88	9.01	-62.21
CC(C)N1CC[NH+](CCCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826025	1	57	0.0	-71.65	434.19	8.78	-62.87
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005826026	0	47	0.0	-57.30	365.82	9.80	-47.50
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300005826026	1	47	0.0	-60.49	357.13	9.57	-50.92
C[NH+](C)CCN1C=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=N1	REAL300005826028	0	46	0.0	-82.48	385.58	8.44	-74.04
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005826032	0	55	0.0	-72.50	434.07	10.30	-62.20
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005826034	0	52	0.0	-68.09	410.08	10.63	-57.46
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005826034	1	52	0.0	-63.28	416.35	10.33	-52.95
CC(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005826039	1	50	0.0	-55.64	396.01	11.60	-44.04
CC(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005826039	1	50	0.0	-56.31	396.31	11.51	-44.80
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005826058	0	53	0.0	-75.11	424.11	12.17	-62.94
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005826058	1	53	0.0	-76.11	426.73	12.21	-63.90
C[NH+](C)CCN1C=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300005826071	0	46	0.0	-81.82	385.06	8.50	-73.32
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826072	0	46	0.0	-53.11	380.22	8.39	-44.72
C[C@@H]1[C@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300005826074	0	43	0.0	-70.27	333.86	7.92	-62.35
C[C@@H]1[C@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@H+]1C	REAL300005826074	1	43	0.0	-65.70	342.62	8.36	-57.34
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826075	1	47	0.0	-63.79	386.97	10.23	-53.56
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300005826078	0	46	0.0	-73.64	357.35	8.67	-64.97
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@H+]1C	REAL300005826078	1	46	0.0	-62.30	362.90	9.06	-53.24
CC1C[N@H+](C)CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300005826088	1	44	0.0	-74.25	353.03	8.12	-66.13
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300005826088	1	44	0.0	-75.95	353.06	8.13	-67.82
CC1=[NH+]C=CN1CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826095	1	38	0.0	-53.87	330.39	8.65	-45.22
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826097	0	47	0.0	-62.01	371.68	7.72	-54.29
CC1CC[NH+](CC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826112	0	46	0.0	-61.94	363.99	9.53	-52.41
CC[N@@H+]1CCOC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005826124	1	44	0.0	-65.96	356.17	8.14	-57.82
CC[N@H+]1CCOC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005826124	1	44	0.0	-50.79	349.27	7.90	-42.89
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826154	1	53	0.0	-84.20	418.79	10.39	-73.81
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005826155	0	53	0.0	-57.94	405.87	10.91	-47.03
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005826155	1	53	0.0	-70.12	406.22	10.89	-59.23
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826162	0	46	0.0	-75.07	368.34	9.53	-65.54
C[N@H+]1CCCC1CCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826162	1	46	0.0	-68.83	362.91	9.04	-59.79
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005826173	0	47	0.0	-62.33	361.81	9.51	-52.82
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300005826173	1	47	0.0	-62.00	361.75	9.51	-52.49
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=C2)CC1	REAL300005826185	0	55	0.0	-73.18	437.86	9.94	-63.24
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C=C2)CC1	REAL300005826186	0	55	0.0	-86.43	436.91	9.77	-76.66
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C=C2)CC1	REAL300005826186	1	55	0.0	-87.17	437.50	9.75	-77.42
CC(C)[NH+]1CCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826195	0	49	0.0	-75.51	376.49	9.59	-65.92
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C12CC[NH+](CC1)C2	REAL300005826262	0	41	0.0	-74.06	332.84	7.48	-66.58
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300005826271	0	44	0.0	-66.79	342.60	8.24	-58.55
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300005826271	1	44	0.0	-82.80	341.80	8.36	-74.44
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826310	0	46	0.0	-59.19	358.30	8.85	-50.34
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300005826311	0	46	0.0	-78.38	379.47	10.44	-67.94
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005826312	0	53	0.0	-57.56	415.26	12.40	-45.16
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005826312	1	53	0.0	-64.63	416.08	12.36	-52.27
C#CC[NH+]1CCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826366	0	45	0.0	-76.16	370.29	9.84	-66.32
CC[NH+]1CCN(CCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826368	0	51	0.0	-75.84	399.13	7.65	-68.19
CCN1CC[NH+](CCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826368	1	51	0.0	-67.77	399.64	7.67	-60.10
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826375	1	47	0.0	-62.71	386.44	10.18	-52.53
CC[N@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CC1	REAL300005826381	0	43	0.0	-59.66	350.47	9.00	-50.66
CC[N@@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CC1	REAL300005826381	1	43	0.0	-59.52	347.39	9.00	-50.52
CC(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300005826408	0	49	0.0	-58.48	372.37	9.73	-48.75
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=CC=C1N2	REAL300005826446	1	51	0.0	-80.11	414.15	10.90	-69.21
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=CC=C1N2	REAL300005826446	1	51	0.0	-82.82	414.18	10.94	-71.88
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300005826485	0	49	0.0	-72.24	397.04	9.87	-62.37
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCCC[NH+]1CCCC1	REAL300005826486	0	49	0.0	-73.98	392.60	10.26	-63.72
CC1=CC=C(N2CCC(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300005826488	1	52	0.0	-74.33	415.30	10.04	-64.29
C[N@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300005826489	1	46	0.0	-65.97	377.92	10.55	-55.42
C[N@@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300005826489	1	46	0.0	-65.05	377.69	10.63	-54.42
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005826514	1	41	0.0	-75.21	359.68	8.44	-66.77
C[NH+](C)CC1=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=NO1	REAL300005826537	1	42	0.0	-76.32	359.31	7.95	-68.37
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826541	0	53	0.0	-78.00	421.19	11.84	-66.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826541	1	53	0.0	-71.67	420.18	11.88	-59.79
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826556	0	46	0.0	-64.92	350.05	9.05	-55.87
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300005826556	1	46	0.0	-59.57	359.56	9.00	-50.57
C[NH+]1CCC(OCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005826576	0	47	0.0	-74.60	381.16	9.05	-65.55
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005826581	0	50	0.0	-72.23	405.45	10.60	-61.63
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005826731	0	49	0.0	-60.74	378.69	10.20	-50.54
CCC[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005826731	1	49	0.0	-55.40	378.69	10.19	-45.21
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300005826757	1	47	0.0	-62.12	374.82	6.22	-55.90
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005826940	0	49	0.0	-67.68	380.15	9.75	-57.93
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005826940	1	49	0.0	-61.53	380.11	9.76	-51.77
C[N@@H+]1CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005826941	0	43	0.0	-73.49	365.00	8.76	-64.73
C[N@H+]1CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005826941	1	43	0.0	-73.45	347.51	8.90	-64.55
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])N1	REAL300005826965	1	44	0.0	-63.93	371.50	8.25	-55.68
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300005827357	0	49	0.0	-80.33	401.68	11.35	-68.98
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300005827364	0	50	0.0	-86.26	408.97	10.31	-75.95
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005827454	0	56	0.0	-70.88	440.73	12.97	-57.91
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005827483	0	43	0.0	-67.68	350.61	8.76	-58.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300005827487	0	49	0.0	-71.89	373.57	9.66	-62.23
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=CN12	REAL300005827491	0	41	0.0	-68.38	352.59	10.31	-58.07
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005827544	0	52	0.0	-67.41	402.14	10.74	-56.67
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005827544	1	52	0.0	-61.79	402.39	10.66	-51.13
CC[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005827545	0	46	0.0	-60.69	357.24	9.45	-51.24
CC[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005827545	1	46	0.0	-61.76	362.61	9.27	-52.49
C[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005827549	0	43	0.0	-60.36	339.36	8.86	-51.50
C[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300005827549	1	43	0.0	-69.49	345.84	8.57	-60.92
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300005827551	1	43	0.0	-74.08	364.70	8.68	-65.40
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005827559	0	45	0.0	-65.98	358.16	9.58	-56.40
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300005827559	1	45	0.0	-72.98	335.55	9.21	-63.77
COC1CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005828627	0	51	0.0	-74.50	390.09	8.76	-65.74
COC1CC(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)(C(=O)[O-])C1	REAL300005829925	1	43	0.0	-62.91	337.47	6.70	-56.21
COC1CC(NC(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)(C(=O)[O-])C1	REAL300005829977	1	50	0.0	-70.04	397.43	6.83	-63.21
COC1CC(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005830042	0	54	0.0	-79.24	423.23	8.34	-70.90
COC1CC(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300005830048	0	54	0.0	-78.48	424.04	10.67	-67.81
COC1CC(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300005830048	1	54	0.0	-77.71	423.98	10.67	-67.04
COC1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)(C(=O)[O-])C1	REAL300005830117	0	50	0.0	-73.00	345.16	8.17	-64.83
COC1CC(NC(=O)CC[N@H+](C)C2CCCCC2)(C(=O)[O-])C1	REAL300005830119	0	50	0.0	-72.86	369.33	7.28	-65.58
COC1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)(C(=O)[O-])C1	REAL300005830119	1	50	0.0	-72.18	369.34	7.27	-64.91
COC1CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)(C(=O)[O-])C1	REAL300005830177	0	44	0.0	-82.19	358.37	6.23	-75.96
COC1CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)(C(=O)[O-])C1	REAL300005830196	0	52	0.0	-52.97	372.60	5.54	-47.43
COC1CC(NC(=O)CCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300005830220	1	48	0.0	-80.13	369.18	5.28	-74.85
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(OC)C2)C=C1)C(C)C	REAL300005830221	0	53	0.0	-79.81	392.43	8.52	-71.29
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(OC)C2)C=C1)C(C)C	REAL300005830221	1	53	0.0	-79.49	386.65	8.27	-71.22
COC1CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005830238	0	48	0.0	-64.69	372.28	7.96	-56.73
COC1CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005830238	1	48	0.0	-70.29	376.39	8.14	-62.15
COC1CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)(C(=O)[O-])C1	REAL300005830239	0	49	0.0	-77.24	373.11	7.47	-69.77
COC1CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)(C(=O)[O-])C1	REAL300005830262	0	52	0.0	-73.60	367.67	5.29	-68.31
COC1CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005830265	0	47	0.0	-57.40	363.52	7.53	-49.87
COC1CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005830265	1	47	0.0	-60.60	364.08	7.53	-53.07
COC1CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005830273	0	54	0.0	-53.00	405.34	9.69	-43.31
COC1CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005830273	1	54	0.0	-67.99	412.81	9.65	-58.34
COC1CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)(C(=O)[O-])C1	REAL300005830290	0	43	0.0	-85.12	344.93	5.33	-79.79
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300005830297	0	52	0.0	-74.16	393.48	7.91	-66.25
COC1CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)(C(=O)[O-])C1	REAL300005830315	0	48	0.0	-82.62	372.10	8.24	-74.38
COC1CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)(C(=O)[O-])C1	REAL300005830320	0	51	0.0	-78.38	390.73	9.03	-69.35
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CC(OC)C3)CC2)CC1	REAL300005830326	0	59	0.0	-72.88	424.16	6.52	-66.36
COC1CC(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)(C(=O)[O-])C1	REAL300005830333	1	55	0.0	-85.17	422.16	7.97	-77.20
COC1CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005830342	1	52	0.0	-79.60	397.24	8.19	-71.41
COC1CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005830342	1	52	0.0	-84.78	405.36	7.94	-76.84
COC1CC(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)(C(=O)[O-])C1	REAL300005830356	1	42	0.0	-84.37	345.13	5.48	-78.89
COC1CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300005830359	0	51	0.0	-82.92	388.84	8.95	-73.97
COC1CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C1	REAL300005830370	1	44	0.0	-81.87	354.43	5.80	-76.07
COC1CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005830371	0	47	0.0	-86.35	369.77	7.93	-78.42
COC1CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005830375	1	49	0.0	-65.98	377.19	7.11	-58.87
COC1CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005830375	1	49	0.0	-80.08	384.85	7.31	-72.77
COC1CC(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005830384	0	57	0.0	-54.52	426.90	10.02	-44.50
COC1CC(NC(=O)C(C)[NH+]2CCSCC2)(C(=O)[O-])C1	REAL300005830407	1	42	0.0	-66.55	330.09	5.67	-60.88
COC1CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005830414	0	47	0.0	-67.16	370.15	8.01	-59.15
COC1CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005830414	1	47	0.0	-59.66	368.28	7.94	-51.72
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300005830415	0	51	0.0	-71.29	399.09	4.31	-66.98
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300005830415	1	51	0.0	-74.38	399.20	4.30	-70.08
COC1CC(NC(=O)CC2(O)CCC[N@H+](C)C2)(C(=O)[O-])C1	REAL300005830418	0	45	0.0	-68.17	341.34	3.58	-64.59
COC1CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)(C(=O)[O-])C1	REAL300005830418	1	45	0.0	-56.04	329.78	3.28	-52.76
COC1CC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005830423	0	56	0.0	-79.11	425.32	7.82	-71.29
CCCCCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300005830424	0	49	0.0	-58.41	372.87	7.26	-51.15
CCCCCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300005830424	1	49	0.0	-65.80	374.75	7.36	-58.44
COC1CC(NC(=O)C[N@H+](C)C2CCSC2)(C(=O)[O-])C1	REAL300005830446	0	42	0.0	-62.95	328.48	5.72	-57.23
COC1CC(NC(=O)C[N@@H+](C)C2CCSC2)(C(=O)[O-])C1	REAL300005830446	1	42	0.0	-60.01	328.49	5.74	-54.27
COC1CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)(C(=O)[O-])C1	REAL300005830456	0	52	0.0	-69.89	384.49	4.77	-65.12
COC1CC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)(C(=O)[O-])C1	REAL300005830456	1	52	0.0	-71.74	385.76	4.84	-66.90
COC1CC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)(C(=O)[O-])C1	REAL300005830457	0	55	0.0	-75.44	407.77	5.67	-69.77
COC1CC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)(C(=O)[O-])C1	REAL300005830457	1	55	0.0	-74.68	404.37	5.45	-69.23
COC1CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)(C(=O)[O-])C1	REAL300005830459	0	44	0.0	-85.99	355.32	5.22	-80.77
COC1CC(NC(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)(C(=O)[O-])C1	REAL300005830462	0	56	0.0	-74.88	425.13	7.69	-67.19
COC1CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005830464	0	53	0.0	-75.24	403.82	7.01	-68.23
COC1CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])C1	REAL300005830467	0	50	0.0	-69.56	379.49	7.17	-62.39
COC1CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])C1	REAL300005830467	1	50	0.0	-74.03	386.97	7.02	-67.01
COC1CC(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300005830472	1	48	0.0	-66.11	366.06	8.14	-57.97
COC1CC(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300005830472	1	48	0.0	-58.52	364.35	8.06	-50.46
COC1CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005830491	0	51	0.0	-70.99	391.64	8.69	-62.30
COC1CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005830491	1	51	0.0	-78.46	394.34	8.79	-69.67
COC1CC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005830502	0	44	0.0	-86.99	353.85	5.14	-81.85
COC1CC(NC(=O)C2=CC=NN2CC[NH+](C)C)(C(=O)[O-])C1	REAL300005830503	0	44	0.0	-61.74	351.08	5.05	-56.69
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300005830504	1	45	0.0	-67.34	356.98	6.80	-60.54
COC1CC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])C1	REAL300005830515	0	51	0.0	-73.40	398.56	8.94	-64.46
COC1CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])C1	REAL300005830515	1	51	0.0	-74.18	398.54	8.94	-65.24
COC1CC(NC(=O)C(C)C[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300005830519	1	45	0.0	-71.91	342.33	4.41	-67.50
COC1CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)(C(=O)[O-])C1	REAL300005830520	0	52	0.0	-74.48	401.58	6.42	-68.06
COC1CC(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)(C(=O)[O-])C1	REAL300005830556	1	51	0.0	-74.58	391.40	7.26	-67.32
COC1CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300005830557	0	51	0.0	-72.30	377.57	7.58	-64.72
COC1CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300005830557	1	51	0.0	-73.24	376.22	7.53	-65.71
COC1CC(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)(C(=O)[O-])C1	REAL300005830582	0	53	0.0	-77.17	407.85	6.60	-70.57
COC1CC(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300005830583	0	53	0.0	-82.25	406.06	6.50	-75.75
COC1CC(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)(C(=O)[O-])C1	REAL300005830583	1	53	0.0	-83.68	405.37	6.39	-77.29
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CC(OC)C2)C=C1	REAL300005830584	0	54	0.0	-82.71	412.29	8.22	-74.49
COC1CC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)(C(=O)[O-])C1	REAL300005830662	0	55	0.0	-85.12	420.52	6.25	-78.87
COC1CC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300005830666	0	44	0.0	-81.51	349.17	7.18	-74.33
COC1CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005830667	0	51	0.0	-59.06	384.02	8.89	-50.17
COC1CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005830667	1	51	0.0	-63.31	384.49	8.92	-54.39
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300005830708	0	49	0.0	-72.96	367.91	4.24	-68.72
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300005830708	1	49	0.0	-71.57	369.63	4.33	-67.24
COC1CC(NC(=O)CCN2C=C[NH+]=C2C(C)C)(C(=O)[O-])C1	REAL300005830714	1	45	0.0	-66.57	356.44	6.83	-59.74
COC1CC(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)(C(=O)[O-])C1	REAL300005830760	1	49	0.0	-87.31	384.08	7.58	-79.73
COC1CC(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)(C(=O)[O-])C1	REAL300005830760	1	49	0.0	-81.80	382.32	7.49	-74.31
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(OC)C2)O1	REAL300005830800	0	47	0.0	-83.73	371.40	6.88	-76.85
COC1CC(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)(C(=O)[O-])C1	REAL300005830801	1	50	0.0	-77.81	385.06	6.76	-71.05
COC1CC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005830802	1	44	0.0	-68.80	347.73	7.17	-61.63
COC1CC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005830802	1	44	0.0	-61.07	345.95	7.09	-53.98
COC1CC(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)(C(=O)[O-])C1	REAL300005830805	0	56	0.0	-87.36	416.01	7.84	-79.52
COC1CC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)(C(=O)[O-])C1	REAL300005830814	1	39	0.0	-77.51	328.46	5.08	-72.43
COC1CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300005830841	0	51	0.0	-75.35	393.48	8.65	-66.70
COC1CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300005830841	1	51	0.0	-65.10	386.87	8.47	-56.63
COC1CC(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005830858	0	52	0.0	-90.69	413.40	8.16	-82.53
COC1CC(NC(=O)COC2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300005830869	0	45	0.0	-78.17	349.11	5.30	-72.87
COC1CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)(C(=O)[O-])C1	REAL300005830873	0	48	0.0	-84.92	376.12	7.29	-77.63
COC1CC(NC(=O)C[NH+]2CCC(CO)CC2)(C(=O)[O-])C1	REAL300005831019	1	45	0.0	-65.49	344.34	2.77	-62.72
COC1CC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)(C(=O)[O-])C1	REAL300005831174	0	41	0.0	-89.66	318.62	5.95	-83.71
COC1CC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)(C(=O)[O-])C1	REAL300005831174	1	41	0.0	-86.33	334.82	5.40	-80.93
COC1CC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300005831515	0	47	0.0	-78.21	369.82	7.93	-70.28
COC1CC(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005831520	0	48	0.0	-83.90	377.07	6.88	-77.02
COC1CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005831592	0	54	0.0	-75.97	410.59	9.53	-66.44
COC1CC(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)(C(=O)[O-])C1	REAL300005831594	1	52	0.0	-91.85	403.36	7.36	-84.49
COC1CC(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)(C(=O)[O-])C1	REAL300005831594	1	52	0.0	-92.44	396.58	7.35	-85.09
COC1CC(NC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)(C(=O)[O-])C1	REAL300005831617	0	39	0.0	-67.77	321.55	7.24	-60.53
COC1CC(NC(=O)C2CCC[N@H+](CC(C)C)C2)(C(=O)[O-])C1	REAL300005831654	0	50	0.0	-71.87	372.45	7.41	-64.46
COC1CC(NC(=O)C2CCC[N@@H+](CC(C)C)C2)(C(=O)[O-])C1	REAL300005831654	1	50	0.0	-51.93	360.10	7.26	-44.67
O=C([O-])C1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300005832747	0	47	0.0	-77.46	367.20	9.99	-67.47
O=C([O-])C1(NC(=O)C2CC[NH+](C3CC3)CC2)CC(F)(F)C1	REAL300005834065	0	41	0.0	-73.80	319.89	7.81	-65.99
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)CN12	REAL300005834084	1	39	0.0	-64.31	313.64	7.49	-56.82
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)CC2)=CS1	REAL300005834143	1	46	0.0	-77.45	374.53	7.74	-69.71
CC(C(=O)NC1(C(=O)[O-])CC(F)(F)C1)N1CC[NH+](C)CC1	REAL300005834144	1	42	0.0	-70.97	319.58	4.52	-66.45
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300005834214	0	50	0.0	-81.46	400.06	9.49	-71.97
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=C1	REAL300005834220	0	50	0.0	-79.02	400.84	11.84	-67.18
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=C1	REAL300005834220	1	50	0.0	-77.85	400.80	11.85	-66.00
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)CCCCC1	REAL300005834290	0	46	0.0	-77.36	324.33	7.97	-69.39
C[N@H+](CCC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1CCCCC1	REAL300005834292	0	46	0.0	-68.30	344.40	8.35	-59.95
C[N@@H+](CCC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1CCCCC1	REAL300005834292	1	46	0.0	-68.80	344.40	8.36	-60.44
O=C([O-])C1(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC(F)(F)C1	REAL300005834357	0	40	0.0	-84.92	335.20	7.39	-77.53
O=C([O-])C1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CC(F)(F)C1	REAL300005834375	0	48	0.0	-79.29	357.88	7.03	-72.26
CC1=[NH+]C=CN1CCCC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834401	1	38	0.0	-68.99	316.96	7.65	-61.34
O=C([O-])C1(NC(=O)CCCC[NH+]2CCOCC2)CC(F)(F)C1	REAL300005834402	1	44	0.0	-75.70	344.25	6.34	-69.36
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1)C(C)C	REAL300005834403	0	49	0.0	-81.84	369.11	9.70	-72.14
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1)C(C)C	REAL300005834403	1	49	0.0	-82.68	364.46	9.50	-73.18
O=C([O-])C1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300005834421	0	44	0.0	-67.46	350.64	9.18	-58.28
O=C([O-])C1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300005834421	1	44	0.0	-68.64	350.73	9.22	-59.42
O=C([O-])C1(NC(=O)C2CC[NH+](C3CCSC3)CC2)CC(F)(F)C1	REAL300005834422	0	45	0.0	-77.68	351.30	8.61	-69.07
O=C([O-])C1(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC(F)(F)C1	REAL300005834450	0	48	0.0	-66.61	339.13	6.25	-60.36
CC(C(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@H+](C)CC1=CC=CC=C1	REAL300005834453	0	43	0.0	-60.70	340.34	8.68	-52.02
CC(C(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005834453	1	43	0.0	-65.40	341.03	8.72	-56.68
O=C([O-])C1(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300005834461	0	50	0.0	-70.75	389.91	10.80	-59.95
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300005834461	1	50	0.0	-61.16	383.39	10.91	-50.25
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=N1	REAL300005834478	0	39	0.0	-81.23	319.91	6.79	-74.44
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834485	0	48	0.0	-69.95	368.54	8.96	-60.99
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834492	1	38	0.0	-59.33	311.74	7.44	-51.89
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC(F)(F)C1	REAL300005834505	0	44	0.0	-84.98	348.06	9.34	-75.64
O=C([O-])C1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC(F)(F)C1	REAL300005834510	0	47	0.0	-74.01	365.70	10.11	-63.90
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)CC2)CC1	REAL300005834516	0	55	0.0	-74.04	400.97	7.70	-66.34
CC1C[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CC(C)O1	REAL300005834523	1	51	0.0	-87.31	398.96	9.14	-78.17
O=C([O-])C1(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC(F)(F)C1	REAL300005834533	1	48	0.0	-74.97	377.49	9.23	-65.74
O=C([O-])C1(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC(F)(F)C1	REAL300005834533	1	48	0.0	-80.71	373.83	8.94	-71.77
CC1=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=NN1C1=CC=[NH+]C=C1	REAL300005834547	1	38	0.0	-80.06	320.37	6.56	-73.50
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC(F)(F)C1	REAL300005834550	0	47	0.0	-85.43	365.39	10.07	-75.36
O=C([O-])C1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC(F)(F)C1	REAL300005834561	1	40	0.0	-77.60	329.66	6.86	-70.74
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300005834562	0	43	0.0	-87.65	346.62	9.11	-78.54
O=C([O-])C1(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC(F)(F)C1	REAL300005834567	1	45	0.0	-62.47	352.38	8.16	-54.31
O=C([O-])C1(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC(F)(F)C1	REAL300005834567	1	45	0.0	-68.85	364.09	8.65	-60.20
CC(C(=O)NC1(C(=O)[O-])CC(F)(F)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005834576	0	53	0.0	-62.34	404.20	11.20	-51.14
CC(C(=O)NC1(C(=O)[O-])CC(F)(F)C1)[NH+]1CCSCC1	REAL300005834601	1	38	0.0	-60.18	301.38	6.50	-53.68
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834608	0	43	0.0	-63.89	345.28	9.09	-54.80
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834608	1	43	0.0	-63.77	345.12	9.10	-54.67
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834609	0	47	0.0	-68.38	374.31	5.37	-63.01
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834609	1	47	0.0	-70.39	374.17	5.36	-65.03
C[N@@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300005834612	0	41	0.0	-68.35	313.43	4.74	-63.61
C[N@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300005834612	1	41	0.0	-63.41	307.99	4.82	-58.59
O=C([O-])C1(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300005834617	0	52	0.0	-74.63	399.78	8.84	-65.79
CCCCCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834619	0	45	0.0	-62.48	349.70	8.42	-54.06
CCCCCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834619	1	45	0.0	-62.44	349.71	8.42	-54.02
C[N@H+](CC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1CCSC1	REAL300005834643	0	38	0.0	-64.32	305.50	6.90	-57.42
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1CCSC1	REAL300005834643	1	38	0.0	-65.20	305.33	6.88	-58.32
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005834653	0	48	0.0	-73.65	361.34	5.92	-67.73
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005834653	1	48	0.0	-67.88	360.73	5.90	-61.98
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005834654	0	51	0.0	-72.40	377.72	6.36	-66.04
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005834654	1	51	0.0	-70.51	379.34	6.52	-63.99
O=C([O-])C1(NC(=O)C2CCCC3CCC[N@@H+]32)CC(F)(F)C1	REAL300005834655	0	41	0.0	-58.61	302.15	7.09	-51.52
O=C([O-])C1(NC(=O)C2CCCC3CCC[N@H+]32)CC(F)(F)C1	REAL300005834655	1	41	0.0	-54.97	310.49	7.51	-47.46
C[NH+](C)CCN1C=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=N1	REAL300005834657	0	40	0.0	-75.20	334.19	6.56	-68.64
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C(=O)[O-])CC(F)(F)C3)CC2)=C1	REAL300005834660	0	52	0.0	-71.12	399.68	8.72	-62.40
O=C([O-])C1(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300005834662	0	49	0.0	-71.50	378.79	8.08	-63.42
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC(F)(F)C1	REAL300005834665	0	46	0.0	-65.86	354.64	8.24	-57.62
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC(F)(F)C1	REAL300005834665	1	46	0.0	-69.82	362.03	8.18	-61.64
CC(C(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005834670	1	44	0.0	-59.39	341.44	9.17	-50.22
CC(C(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005834670	1	44	0.0	-54.98	345.18	9.49	-45.49
O=C([O-])C1(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300005834691	0	47	0.0	-74.69	371.39	9.93	-64.76
O=C([O-])C1(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300005834691	1	47	0.0	-68.40	375.36	10.22	-58.18
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300005834703	0	40	0.0	-89.65	330.94	6.29	-83.36
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834704	0	40	0.0	-51.51	330.98	5.87	-45.64
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834705	1	41	0.0	-63.32	331.94	7.87	-55.45
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC(F)(F)C1	REAL300005834717	0	47	0.0	-65.78	366.12	10.07	-55.71
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC(F)(F)C1	REAL300005834717	1	47	0.0	-61.65	367.24	10.10	-51.55
CC(C[NH+]1CCOCC1)C(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834721	1	41	0.0	-68.63	317.28	5.47	-63.16
O=C([O-])C1(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC(F)(F)C1	REAL300005834722	0	48	0.0	-70.83	376.54	7.50	-63.33
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005834759	1	47	0.0	-77.20	368.38	8.43	-68.77
O=C([O-])C1(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CC(F)(F)C1	REAL300005834760	0	47	0.0	-60.10	355.38	8.90	-51.20
O=C([O-])C1(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CC(F)(F)C1	REAL300005834760	1	47	0.0	-68.38	352.55	8.65	-59.73
O=C([O-])C1(NC(=O)C2CCC3CCCC[N@@H+]32)CC(F)(F)C1	REAL300005834776	0	41	0.0	-59.00	314.12	7.69	-51.31
O=C([O-])C1(NC(=O)C2CCC3CCCC[N@H+]32)CC(F)(F)C1	REAL300005834776	1	41	0.0	-57.41	313.77	7.60	-49.81
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)=C2)CC1	REAL300005834790	0	49	0.0	-72.87	382.81	7.68	-65.19
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300005834791	0	49	0.0	-85.61	381.87	7.50	-78.11
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300005834791	1	49	0.0	-86.35	382.21	7.56	-78.79
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300005834792	0	50	0.0	-84.88	389.12	9.38	-75.50
CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005834798	0	43	0.0	-71.05	321.38	7.37	-63.68
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CC(F)(F)C1	REAL300005834881	0	51	0.0	-89.63	397.38	7.42	-82.21
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=C1	REAL300005834885	0	40	0.0	-76.89	324.08	8.24	-68.65
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300005834886	0	47	0.0	-53.69	363.57	10.26	-43.43
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300005834886	1	47	0.0	-61.93	360.84	10.04	-51.89
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005834930	0	39	0.0	-76.92	315.75	7.62	-69.30
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005834933	0	45	0.0	-73.76	344.75	5.42	-68.34
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005834933	1	45	0.0	-67.83	344.09	5.36	-62.47
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005834940	1	41	0.0	-62.74	331.44	7.91	-54.83
CC(C(=O)NC1(C(=O)[O-])CC(F)(F)C1)[NH+]1CCCCCC1	REAL300005834966	0	43	0.0	-51.91	319.98	7.41	-44.50
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)=CC=C1N2	REAL300005834994	1	45	0.0	-82.60	359.20	8.67	-73.93
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)=CC=C1N2	REAL300005834994	1	45	0.0	-82.27	359.40	8.64	-73.63
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)O1	REAL300005835034	0	43	0.0	-78.90	346.12	7.95	-70.95
O=C([O-])C1(NC(=O)CCCC[NH+]2CCCC2)CC(F)(F)C1	REAL300005835035	0	43	0.0	-73.66	335.70	7.95	-65.71
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)CC2)[NH+]=C1	REAL300005835036	1	46	0.0	-73.16	360.02	7.84	-65.32
C[N@H+](CC(=O)NC1(C(=O)[O-])CC(F)(F)C1)CC1=CC=CC=C1	REAL300005835037	1	40	0.0	-65.10	322.81	8.25	-56.85
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC(F)(F)C1)CC1=CC=CC=C1	REAL300005835037	1	40	0.0	-65.02	322.65	8.25	-56.77
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300005835040	0	52	0.0	-86.30	392.31	8.62	-77.68
O=C([O-])C1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC(F)(F)C1	REAL300005835050	1	35	0.0	-79.15	305.28	6.24	-72.91
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=NO1	REAL300005835072	1	36	0.0	-79.70	305.37	5.81	-73.89
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005835078	0	47	0.0	-78.91	370.32	9.81	-69.10
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300005835078	1	47	0.0	-63.75	371.31	9.98	-53.77
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300005835096	0	48	0.0	-85.83	388.46	9.23	-76.60
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005835107	0	41	0.0	-81.00	325.94	6.46	-74.54
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC(F)(F)C1	REAL300005835111	0	44	0.0	-80.22	351.31	8.35	-71.87
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300005835244	0	43	0.0	-58.34	323.47	7.88	-50.46
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300005835244	1	43	0.0	-48.71	326.18	8.09	-40.62
O=C([O-])C1(NC(=O)C[NH+]2CCC(CO)CC2)CC(F)(F)C1	REAL300005835272	1	41	0.0	-65.79	319.41	3.83	-61.96
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300005835437	0	43	0.0	-58.33	318.62	7.65	-50.68
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300005835437	1	43	0.0	-65.27	324.86	7.55	-57.72
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C(C(F)(F)F)C1	REAL300005835438	0	37	0.0	-77.61	309.17	6.56	-71.05
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C(C(F)(F)F)C1	REAL300005835438	1	37	0.0	-65.00	298.84	6.72	-58.28
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CC(F)(F)C2)N1	REAL300005835462	1	38	0.0	-63.05	316.21	6.04	-57.01
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=C1	REAL300005835811	0	43	0.0	-79.30	346.62	9.09	-70.21
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300005835816	0	44	0.0	-86.29	353.92	8.03	-78.26
O=C([O-])C1(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300005835898	0	50	0.0	-71.67	385.69	10.60	-61.07
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CCO1	REAL300005835900	1	48	0.0	-86.93	378.22	8.46	-78.47
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CCO1	REAL300005835900	1	48	0.0	-87.58	371.52	8.42	-79.16
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300005835924	0	43	0.0	-55.59	316.66	7.25	-48.34
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)=CN12	REAL300005835929	0	35	0.0	-68.33	297.57	8.04	-60.29
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300005835972	0	46	0.0	-67.77	347.51	8.47	-59.30
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300005835972	1	46	0.0	-65.30	347.15	8.48	-56.82
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)O1	REAL300005835977	1	37	0.0	-82.66	310.81	6.58	-76.08
O=C([O-])C1(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CC(F)(F)C1	REAL300005835984	0	39	0.0	-58.33	307.61	7.63	-50.70
O=C([O-])C1(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CC(F)(F)C1	REAL300005835984	1	39	0.0	-68.92	310.01	7.48	-61.44
CO[C@H]1C[C@](NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005837092	0	51	0.0	-74.06	389.84	8.78	-65.28
CO[C@H]1C[C@](NC(=O)C2CCC3=C[NH+]=C(C)N3C2)(C(=O)[O-])C1	REAL300005838390	1	43	0.0	-62.57	337.32	6.69	-55.88
CO[C@H]1C[C@](NC(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)(C(=O)[O-])C1	REAL300005838442	1	50	0.0	-74.43	397.26	6.52	-67.91
CO[C@H]1C[C@](NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005838507	0	54	0.0	-81.31	423.59	8.72	-72.59
CO[C@H]1C[C@](NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300005838513	0	54	0.0	-80.79	424.65	11.06	-69.73
CO[C@H]1C[C@](NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300005838513	1	54	0.0	-76.38	423.88	10.69	-65.69
CO[C@H]1C[C@](NC(=O)C2(C[NH+](C)C)CCCCC2)(C(=O)[O-])C1	REAL300005838582	0	50	0.0	-74.88	343.43	8.25	-66.63
CO[C@H]1C[C@](NC(=O)CC[N@H+](C)C2CCCCC2)(C(=O)[O-])C1	REAL300005838584	0	50	0.0	-65.26	367.92	7.55	-57.71
CO[C@H]1C[C@](NC(=O)CC[N@@H+](C)C2CCCCC2)(C(=O)[O-])C1	REAL300005838584	1	50	0.0	-65.93	367.93	7.55	-58.38
CO[C@H]1C[C@](NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)(C(=O)[O-])C1	REAL300005838642	0	44	0.0	-83.00	358.54	6.22	-76.78
CO[C@H]1C[C@](NC(=O)C2CCC([NH+]3CCOCC3)CC2)(C(=O)[O-])C1	REAL300005838661	0	52	0.0	-79.67	381.23	6.26	-73.41
CO[C@H]1C[C@](NC(=O)CCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300005838685	1	48	0.0	-73.33	367.57	5.16	-68.17
CC[N@H+](CC1=CC=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)C=C1)C(C)C	REAL300005838686	0	53	0.0	-85.06	389.43	8.85	-76.21
CC[N@@H+](CC1=CC=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)C=C1)C(C)C	REAL300005838686	1	53	0.0	-81.84	387.03	8.67	-73.17
CO[C@H]1C[C@](NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005838703	0	48	0.0	-65.28	373.80	8.03	-57.25
CO[C@H]1C[C@](NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005838703	1	48	0.0	-65.80	374.16	8.42	-57.38
CO[C@H]1C[C@](NC(=O)C2CC[NH+](C3CCSC3)CC2)(C(=O)[O-])C1	REAL300005838704	0	49	0.0	-75.35	374.29	7.42	-67.93
CO[C@H]1C[C@](NC(=O)CC2([NH+]3CCOCC3)CCCC2)(C(=O)[O-])C1	REAL300005838727	0	52	0.0	-66.70	366.41	5.60	-61.10
CO[C@H]1C[C@](NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005838730	0	47	0.0	-57.30	363.79	7.93	-49.37
CO[C@H]1C[C@](NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005838730	1	47	0.0	-60.77	363.98	7.54	-53.23
CO[C@H]1C[C@](NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005838738	0	54	0.0	-58.10	406.52	9.75	-48.35
CO[C@H]1C[C@](NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005838738	1	54	0.0	-59.05	407.06	10.16	-48.89
CO[C@H]1C[C@](NC(=O)C2=CC=C(C[NH+](C)C)N=C2)(C(=O)[O-])C1	REAL300005838755	0	43	0.0	-77.60	343.08	5.25	-72.35
CCC[NH+](CCC)CCCC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300005838762	0	52	0.0	-67.35	391.58	7.81	-59.54
CO[C@H]1C[C@](NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)(C(=O)[O-])C1	REAL300005838780	0	48	0.0	-85.17	372.07	8.56	-76.61
CO[C@H]1C[C@](NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)(C(=O)[O-])C1	REAL300005838785	0	51	0.0	-73.58	388.89	8.95	-64.63
CCN1CCC([NH+]2CCC(C(=O)N[C@]3(C(=O)[O-])C[C@H](OC)C3)CC2)CC1	REAL300005838791	0	59	0.0	-72.04	424.45	6.92	-65.12
CO[C@H]1C[C@](NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)(C(=O)[O-])C1	REAL300005838798	1	55	0.0	-86.15	422.46	8.05	-78.10
CO[C@H]1C[C@](NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005838807	1	52	0.0	-78.82	396.74	7.80	-71.02
CO[C@H]1C[C@](NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005838807	1	52	0.0	-77.53	403.60	7.85	-69.68
CO[C@H]1C[C@](NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)(C(=O)[O-])C1	REAL300005838821	1	42	0.0	-79.39	344.77	5.45	-73.94
CO[C@H]1C[C@](NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300005838824	0	51	0.0	-85.24	389.57	9.32	-75.92
CO[C@H]1C[C@](NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C1	REAL300005838835	1	44	0.0	-78.06	354.04	6.19	-71.87
CO[C@H]1C[C@](NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005838836	0	47	0.0	-87.26	369.66	7.94	-79.32
CO[C@H]1C[C@](NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005838840	1	49	0.0	-72.14	376.48	7.39	-64.75
CO[C@H]1C[C@](NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300005838840	1	49	0.0	-58.99	375.92	7.40	-51.59
CO[C@H]1C[C@](NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005838849	0	57	0.0	-58.05	427.40	10.04	-48.01
CO[C@H]1C[C@](NC(=O)C(C)[NH+]2CCSCC2)(C(=O)[O-])C1	REAL300005838872	1	42	0.0	-57.78	325.02	5.72	-52.06
CO[C@H]1C[C@](NC(=O)C[N@H+](C)CCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005838879	0	47	0.0	-59.56	368.16	7.93	-51.63
CO[C@H]1C[C@](NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300005838879	1	47	0.0	-59.65	368.15	7.94	-51.71
COCCOCC[N@H+](C)CCC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300005838880	0	51	0.0	-64.84	397.80	4.59	-60.25
COCCOCC[N@@H+](C)CCC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300005838880	1	51	0.0	-67.77	397.86	4.59	-63.18
CO[C@H]1C[C@](NC(=O)CC2(O)CCC[N@H+](C)C2)(C(=O)[O-])C1	REAL300005838883	0	45	0.0	-66.30	326.76	3.38	-62.92
CO[C@H]1C[C@](NC(=O)CC2(O)CCC[N@@H+](C)C2)(C(=O)[O-])C1	REAL300005838883	1	45	0.0	-65.73	336.75	3.58	-62.15
CO[C@H]1C[C@](NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005838888	0	56	0.0	-72.61	423.65	8.05	-64.56
CCCCCC[N@H+](C)CC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300005838889	0	49	0.0	-58.00	373.71	7.60	-50.40
CCCCCC[N@@H+](C)CC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300005838889	1	49	0.0	-57.98	373.41	7.64	-50.34
CO[C@H]1C[C@](NC(=O)C[N@H+](C)C2CCSC2)(C(=O)[O-])C1	REAL300005838911	0	42	0.0	-60.92	328.63	5.72	-55.20
CO[C@H]1C[C@](NC(=O)C[N@@H+](C)C2CCSC2)(C(=O)[O-])C1	REAL300005838911	1	42	0.0	-62.62	328.79	5.73	-56.89
CO[C@H]1C[C@](NC(=O)CCN2CC[NH+](C(C)C)CC2)(C(=O)[O-])C1	REAL300005838921	0	52	0.0	-73.10	385.01	5.16	-67.94
CO[C@H]1C[C@](NC(=O)CC[NH+]2CCN(C(C)C)CC2)(C(=O)[O-])C1	REAL300005838921	1	52	0.0	-63.62	380.37	4.52	-59.10
CO[C@H]1C[C@](NC(=O)CCCN2CC[NH+](C(C)C)CC2)(C(=O)[O-])C1	REAL300005838922	0	55	0.0	-72.57	406.82	5.94	-66.63
CO[C@H]1C[C@](NC(=O)CCC[NH+]2CCN(C(C)C)CC2)(C(=O)[O-])C1	REAL300005838922	1	55	0.0	-67.86	402.52	5.37	-62.49
CO[C@H]1C[C@](NC(=O)C2=CN(CC[NH+](C)C)N=C2)(C(=O)[O-])C1	REAL300005838924	0	44	0.0	-79.84	353.33	5.14	-74.70
CO[C@H]1C[C@](NC(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)(C(=O)[O-])C1	REAL300005838927	0	56	0.0	-68.13	423.71	7.98	-60.15
CO[C@H]1C[C@](NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300005838929	0	53	0.0	-67.57	401.32	6.90	-60.67
CO[C@H]1C[C@](NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])C1	REAL300005838932	0	50	0.0	-67.65	385.85	7.31	-60.34
CO[C@H]1C[C@](NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])C1	REAL300005838932	1	50	0.0	-59.65	378.73	7.03	-52.62
CO[C@H]1C[C@](NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300005838937	1	48	0.0	-58.64	364.22	8.06	-50.58
CO[C@H]1C[C@](NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300005838937	1	48	0.0	-55.61	367.05	7.93	-47.68
CO[C@H]1C[C@](NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005838956	0	51	0.0	-71.95	391.77	8.70	-63.25
CO[C@H]1C[C@](NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300005838956	1	51	0.0	-73.17	394.63	9.18	-63.99
CO[C@H]1C[C@](NC(=O)C2=NN(CC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300005838967	0	44	0.0	-89.97	354.54	5.51	-84.46
CO[C@H]1C[C@](NC(=O)C2=CC=NN2CC[NH+](C)C)(C(=O)[O-])C1	REAL300005838968	0	44	0.0	-52.31	349.04	4.96	-47.35
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300005838969	1	45	0.0	-60.50	354.98	6.71	-53.79
CO[C@H]1C[C@](NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])C1	REAL300005838980	0	51	0.0	-66.37	396.57	8.86	-57.51
CO[C@H]1C[C@](NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])C1	REAL300005838980	1	51	0.0	-56.54	389.11	8.90	-47.64
CO[C@H]1C[C@](NC(=O)C(C)C[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300005838984	1	45	0.0	-57.57	340.58	4.75	-52.82
CO[C@H]1C[C@](NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)(C(=O)[O-])C1	REAL300005838985	0	52	0.0	-67.73	400.22	6.72	-61.01
CO[C@H]1C[C@](NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)(C(=O)[O-])C1	REAL300005839021	1	51	0.0	-73.95	391.57	7.08	-66.87
CO[C@H]1C[C@](NC(=O)C2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300005839022	0	51	0.0	-65.62	375.51	7.89	-57.73
CO[C@H]1C[C@](NC(=O)C2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300005839022	1	51	0.0	-66.48	374.41	7.44	-59.04
CO[C@H]1C[C@](NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)(C(=O)[O-])C1	REAL300005839047	0	53	0.0	-84.27	406.61	6.89	-77.38
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CC[N@@H+](C)CC1CCN(C(=O)C2=NNC(C)=C2C(=O)[O-])CC1	REAL300005840346	1	46	0.0	-86.30	340.78	8.13	-78.17
CC[N@H+](C)CC1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300005840347	0	50	0.0	-71.04	378.14	10.39	-60.65
CC[N@@H+](C)CC1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300005840347	1	50	0.0	-88.13	378.98	10.40	-77.73
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CC[N@@H+](C)CC1CCN(C(=O)C2=CSC(C(=O)[O-])=N2)CC1	REAL300005840348	1	42	0.0	-56.28	332.35	7.56	-48.72
CC[N@H+](C)CC1CCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300005840349	0	46	0.0	-69.29	358.00	9.44	-59.85
CC[N@@H+](C)CC1CCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300005840349	1	46	0.0	-70.80	357.15	9.45	-61.35
CC[N@H+](C)CC1CCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300005840350	0	46	0.0	-77.93	374.02	10.22	-67.71
CC[N@@H+](C)CC1CCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300005840350	1	46	0.0	-78.98	373.22	10.13	-68.85
CC[N@H+](C)CC1CCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC1	REAL300005840351	0	50	0.0	-76.96	386.95	9.31	-67.65
CC[N@@H+](C)CC1CCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC1	REAL300005840351	1	50	0.0	-77.06	386.18	9.23	-67.83
CC[N@H+](C)CC1CCN(C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)CC1	REAL300005840352	0	49	0.0	-72.16	374.03	10.34	-61.82
CC[N@@H+](C)CC1CCN(C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)CC1	REAL300005840352	1	49	0.0	-72.96	374.06	10.31	-62.65
CC[N@H+](C)CC1CCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300005840353	0	49	0.0	-93.51	376.92	10.77	-82.74
CC[N@@H+](C)CC1CCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300005840353	1	49	0.0	-88.47	378.30	10.84	-77.63
CC[N@H+](C)CC1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300005840354	0	51	0.0	-82.97	379.31	9.43	-73.54
CC[N@@H+](C)CC1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300005840354	1	51	0.0	-83.57	379.36	9.43	-74.14
CC[N@H+](C)CC1CCN(C(=O)C23CC(C(=O)[O-])(C2)CO3)CC1	REAL300005840355	0	48	0.0	-71.50	352.95	7.75	-63.75
CC[N@@H+](C)CC1CCN(C(=O)C23CC(C(=O)[O-])(C2)CO3)CC1	REAL300005840355	1	48	0.0	-72.08	353.67	7.76	-64.32
CC[N@H+](C)CC1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005840356	0	50	0.0	-80.32	379.20	11.12	-69.20
CC[N@@H+](C)CC1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300005840356	1	50	0.0	-81.00	379.05	11.11	-69.89
CC[N@H+](C)CC1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300005840357	0	53	0.0	-63.38	371.24	10.22	-53.16
CC[N@@H+](C)CC1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300005840357	1	53	0.0	-63.18	371.26	10.22	-52.96
CC[N@H+](C)CC1CCN(C(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300005840358	0	46	0.0	-82.91	352.33	7.27	-75.64
CC[N@@H+](C)CC1CCN(C(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300005840358	1	46	0.0	-77.06	352.35	7.26	-69.80
CC[N@H+](C)CC1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300005840359	0	47	0.0	-69.37	367.42	9.17	-60.20
CC[N@@H+](C)CC1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300005840359	1	47	0.0	-67.31	368.69	9.10	-58.21
CC[N@H+](C)CC1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300005840360	0	47	0.0	-77.19	368.10	9.29	-67.90
CC[N@@H+](C)CC1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300005840360	1	47	0.0	-77.16	368.17	9.29	-67.87
CC[N@H+](C)CC1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300005840361	0	47	0.0	-70.48	358.76	8.30	-62.18
CC[N@@H+](C)CC1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300005840361	1	47	0.0	-70.58	358.71	8.29	-62.29
CC[N@H+](C)CC1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300005840362	0	49	0.0	-79.05	358.78	10.15	-68.90
CC[N@@H+](C)CC1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300005840362	1	49	0.0	-80.17	358.56	10.14	-70.03
CC[N@H+](C)CC1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300005840363	0	49	0.0	-81.15	374.90	9.35	-71.80
CC[N@@H+](C)CC1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300005840363	1	49	0.0	-81.41	374.98	9.35	-72.06
CC[N@H+](C)CC1CCN(C(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300005840364	0	43	0.0	-86.89	335.10	8.52	-78.37
CC[N@@H+](C)CC1CCN(C(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300005840364	1	43	0.0	-84.09	336.24	8.57	-75.52
CC[N@H+](C)CC1CCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300005840365	0	51	0.0	-83.21	365.06	8.25	-74.96
CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300005840365	1	51	0.0	-79.09	364.67	8.44	-70.65
CC[N@H+](C)CC1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300005840366	0	52	0.0	-79.70	384.85	11.69	-68.01
CC[N@@H+](C)CC1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300005840366	1	52	0.0	-79.93	384.72	11.66	-68.27
CC[N@H+](C)CC1CCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC1	REAL300005840367	0	52	0.0	-66.68	368.29	9.53	-57.15
CC[N@@H+](C)CC1CCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC1	REAL300005840367	1	52	0.0	-76.07	370.16	9.61	-66.46
CC[N@H+](C)CC1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300005840368	0	52	0.0	-91.34	387.17	11.12	-80.22
CC[N@@H+](C)CC1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300005840368	1	52	0.0	-91.68	387.20	11.12	-80.56
CC[N@H+](C)CC1CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300005840369	0	46	0.0	-84.31	361.95	9.78	-74.53
CC[N@@H+](C)CC1CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300005840369	1	46	0.0	-86.30	362.01	9.79	-76.51
CC[N@H+](C)CC1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300005840370	0	49	0.0	-90.62	374.95	10.67	-79.95
CC[N@@H+](C)CC1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300005840370	1	49	0.0	-90.29	374.97	10.67	-79.62
CC[N@H+](C)CC1CCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300005840371	0	53	0.0	-72.53	394.74	11.21	-61.32
CC[N@@H+](C)CC1CCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300005840371	1	53	0.0	-74.84	394.76	11.17	-63.67
CC[N@H+](C)CC1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300005840372	0	56	0.0	-78.39	379.80	10.22	-68.17
CC[N@@H+](C)CC1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300005840372	1	56	0.0	-78.57	379.86	10.23	-68.34
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1(C(F)(F)F)CC1	REAL300005841335	0	50	0.0	-71.93	398.74	10.62	-61.31
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1(C(F)(F)F)CC1	REAL300005842586	0	44	0.0	-74.48	345.90	8.50	-65.98
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)CN12	REAL300005842612	1	42	0.0	-64.81	344.17	8.37	-56.44
CC(C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)N1CC[NH+](C)CC1	REAL300005842679	1	45	0.0	-60.65	345.94	5.32	-55.33
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005842713	1	40	0.0	-54.99	322.33	6.82	-48.17
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005842713	1	40	0.0	-60.20	306.65	7.09	-53.11
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005842785	0	40	0.0	-68.70	322.24	7.05	-61.65
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1(C(F)(F)F)CC1	REAL300005842810	0	35	0.0	-72.29	306.71	9.14	-63.15
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CCCCC1	REAL300005842838	0	49	0.0	-65.23	357.65	8.72	-56.51
C[N@H+](CCC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CCCCC1	REAL300005842842	0	49	0.0	-59.64	375.31	8.99	-50.65
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CCCCC1	REAL300005842842	1	49	0.0	-59.15	375.31	8.98	-50.17
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005842900	0	40	0.0	-68.70	322.24	7.05	-61.65
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1(C(F)(F)F)CC1	REAL300005842903	0	43	0.0	-80.86	364.41	8.29	-72.57
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1(C(F)(F)F)CC1	REAL300005842918	0	51	0.0	-52.08	380.82	7.46	-44.62
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005842947	1	41	0.0	-59.68	347.90	8.30	-51.38
O=C([O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1(C(F)(F)F)CC1	REAL300005842948	1	47	0.0	-76.52	374.81	7.21	-69.31
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=C1)C(C)C	REAL300005842950	0	52	0.0	-84.69	393.84	10.41	-74.28
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=C1)C(C)C	REAL300005842950	1	52	0.0	-80.30	393.52	10.25	-70.05
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1(C(F)(F)F)CC1	REAL300005842987	0	47	0.0	-68.91	379.19	10.08	-58.83
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1(C(F)(F)F)CC1	REAL300005842987	1	47	0.0	-61.34	384.23	9.70	-51.64
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1(C(F)(F)F)CC1	REAL300005842988	0	48	0.0	-80.23	374.18	9.29	-70.94
O=C([O-])C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1(C(F)(F)F)CC1	REAL300005843014	0	51	0.0	-60.61	373.65	7.23	-53.38
CCC(C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[NH+](CC)CC	REAL300005843018	0	45	0.0	-47.52	338.02	7.58	-39.94
CC(C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300005843020	0	46	0.0	-66.71	372.06	9.56	-57.15
CC(C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300005843020	1	46	0.0	-55.45	373.38	9.27	-46.18
O=C([O-])C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1(C(F)(F)F)CC1	REAL300005843029	0	53	0.0	-71.23	420.80	11.64	-59.59
O=C([O-])C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1(C(F)(F)F)CC1	REAL300005843029	1	53	0.0	-62.95	420.57	11.43	-51.52
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=N1	REAL300005843042	0	42	0.0	-80.90	350.48	7.66	-73.24
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843048	0	51	0.0	-70.25	396.85	9.81	-60.44
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005843050	1	38	0.0	-57.06	306.79	5.92	-51.14
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005843050	1	38	0.0	-72.96	314.67	6.15	-66.81
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843058	1	41	0.0	-61.31	342.31	8.37	-52.94
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1(C(F)(F)F)CC1	REAL300005843073	0	47	0.0	-83.20	379.51	10.27	-72.93
O=C([O-])C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1(C(F)(F)F)CC1	REAL300005843079	0	50	0.0	-74.14	394.10	11.00	-63.14
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843084	0	40	0.0	-61.93	321.42	7.29	-54.64
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843092	0	42	0.0	-74.47	339.76	7.79	-66.68
CC1=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300005843113	1	41	0.0	-78.62	351.78	7.25	-71.37
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1(C(F)(F)F)CC1	REAL300005843116	0	50	0.0	-83.52	396.23	10.97	-72.55
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1(C(F)(F)F)CC1	REAL300005843128	1	43	0.0	-75.66	361.07	7.49	-68.17
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=C1	REAL300005843129	0	46	0.0	-86.30	377.16	9.97	-76.33
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843135	1	39	0.0	-57.48	327.02	6.38	-51.10
O=C([O-])C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1(C(F)(F)F)CC1	REAL300005843136	1	48	0.0	-83.09	390.67	9.63	-73.46
O=C([O-])C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1(C(F)(F)F)CC1	REAL300005843136	1	48	0.0	-71.85	391.41	9.61	-62.24
C[N@H+](CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CCC1	REAL300005843156	0	40	0.0	-60.56	320.61	7.63	-52.93
C[N@@H+](CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CCC1	REAL300005843156	1	40	0.0	-55.48	323.79	7.37	-48.11
C[N@H+](CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)CC(C)(C)C	REAL300005843183	0	45	0.0	-56.37	347.27	7.77	-48.60
C[N@@H+](CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)CC(C)(C)C	REAL300005843183	1	45	0.0	-61.38	344.96	8.23	-53.15
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843185	0	46	0.0	-65.41	373.52	10.08	-55.33
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843185	1	46	0.0	-55.25	376.04	9.82	-45.43
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843186	0	50	0.0	-67.96	402.37	6.16	-61.80
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843186	1	50	0.0	-72.13	404.72	6.25	-65.88
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005843190	0	44	0.0	-66.49	337.07	5.93	-60.56
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005843190	1	44	0.0	-52.99	349.75	5.70	-47.29
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843202	0	48	0.0	-58.01	381.41	9.16	-48.85
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843202	1	48	0.0	-64.88	380.22	9.40	-55.48
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1(C(F)(F)F)CC1	REAL300005843216	1	35	0.0	-78.58	304.83	9.17	-69.41
C[N@H+](CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CCSC1	REAL300005843229	0	41	0.0	-68.28	333.82	7.87	-60.41
C[N@@H+](CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CCSC1	REAL300005843229	1	41	0.0	-55.97	336.18	7.64	-48.33
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843244	0	51	0.0	-63.47	392.25	6.56	-56.91
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843244	1	51	0.0	-67.75	386.24	6.61	-61.14
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843245	0	54	0.0	-71.44	413.39	7.61	-63.83
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843245	1	54	0.0	-72.45	410.22	7.44	-65.01
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1(C(F)(F)F)CC1	REAL300005843246	0	44	0.0	-59.39	330.59	8.18	-51.21
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1(C(F)(F)F)CC1	REAL300005843246	1	44	0.0	-57.73	339.45	8.38	-49.35
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=N1	REAL300005843248	0	43	0.0	-82.30	360.85	7.15	-75.15
O=C([O-])C(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1(C(F)(F)F)CC1	REAL300005843252	0	52	0.0	-72.98	409.35	8.97	-64.01
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1(C(F)(F)F)CC1	REAL300005843254	0	49	0.0	-70.72	386.35	9.26	-61.46
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1(C(F)(F)F)CC1	REAL300005843254	1	49	0.0	-57.96	388.94	8.78	-49.18
CC(C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005843259	1	47	0.0	-62.66	369.85	10.20	-52.46
CC(C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005843259	1	47	0.0	-55.50	375.77	9.77	-45.73
O=C([O-])C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1(C(F)(F)F)CC1	REAL300005843278	0	50	0.0	-67.13	402.45	10.41	-56.72
O=C([O-])C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1(C(F)(F)F)CC1	REAL300005843278	1	50	0.0	-75.63	404.82	10.88	-64.75
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300005843291	0	43	0.0	-79.84	361.61	6.92	-72.92
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843292	0	43	0.0	-58.67	354.39	6.90	-51.77
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC[N@@H+]1C	REAL300005843294	0	40	0.0	-63.52	315.03	7.07	-56.45
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC[N@H+]1C	REAL300005843294	1	40	0.0	-65.00	320.94	6.68	-58.32
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843295	1	44	0.0	-63.74	360.33	8.86	-54.88
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC[N@@H+]1C	REAL300005843298	0	43	0.0	-65.35	337.08	7.01	-58.34
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC[N@H+]1C	REAL300005843298	1	43	0.0	-65.39	337.16	7.89	-57.50
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)O1	REAL300005843308	1	41	0.0	-70.29	328.75	6.55	-63.74
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)O1	REAL300005843308	1	41	0.0	-66.40	329.64	6.41	-59.99
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843315	1	35	0.0	-62.03	303.82	7.26	-54.77
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843317	0	44	0.0	-70.44	347.22	6.27	-64.17
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843332	0	43	0.0	-64.74	339.52	7.99	-56.75
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005843344	1	41	0.0	-61.55	325.83	6.18	-55.37
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005843344	1	41	0.0	-68.10	332.03	6.47	-61.63
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843374	1	50	0.0	-77.84	396.14	9.20	-68.64
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1(C(F)(F)F)CC1	REAL300005843375	0	50	0.0	-69.76	382.50	9.57	-60.19
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1(C(F)(F)F)CC1	REAL300005843375	1	50	0.0	-55.59	382.63	9.34	-46.25
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843382	0	43	0.0	-69.01	343.72	8.14	-60.87
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843382	1	43	0.0	-68.57	338.82	7.62	-60.95
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1(C(F)(F)F)CC1	REAL300005843393	0	44	0.0	-60.61	344.41	8.60	-52.01
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1(C(F)(F)F)CC1	REAL300005843393	1	44	0.0	-49.06	337.69	8.05	-41.01
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)=C2)CC1	REAL300005843405	0	52	0.0	-72.23	411.22	8.57	-63.66
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)C=C2)CC1	REAL300005843406	0	52	0.0	-79.69	411.15	8.57	-71.12
CN1CC[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)C=C2)CC1	REAL300005843406	1	52	0.0	-83.45	410.62	8.44	-75.01
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843415	0	46	0.0	-61.60	352.13	8.00	-53.60
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C1(C(F)(F)F)CC1	REAL300005843482	0	38	0.0	-72.39	305.90	6.19	-66.20
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C1(C(F)(F)F)CC1	REAL300005843491	0	41	0.0	-66.45	319.57	6.58	-59.87
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C1(C(F)(F)F)CC1	REAL300005843491	1	41	0.0	-69.98	318.89	6.80	-63.18
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843530	0	43	0.0	-59.50	332.23	7.65	-51.85
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=C1	REAL300005843531	0	43	0.0	-78.01	354.70	9.12	-68.89
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1(C(F)(F)F)CC1	REAL300005843532	0	50	0.0	-60.26	392.54	10.77	-49.49
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1(C(F)(F)F)CC1	REAL300005843532	1	50	0.0	-62.06	390.49	11.18	-50.88
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843586	0	42	0.0	-66.11	346.14	8.20	-57.91
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843588	0	48	0.0	-72.81	371.83	6.16	-66.65
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843588	1	48	0.0	-67.83	372.99	6.30	-61.53
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843595	1	44	0.0	-62.54	359.80	8.80	-53.74
CC[N@H+](CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CC1	REAL300005843601	0	40	0.0	-53.35	326.27	7.42	-45.93
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CC1	REAL300005843601	1	40	0.0	-50.29	322.40	7.24	-43.05
CC(C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[NH+]1CCCCCC1	REAL300005843628	0	46	0.0	-54.70	346.95	7.88	-46.82
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)=CC=C1N2	REAL300005843666	1	48	0.0	-80.20	390.25	9.65	-70.55
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)=CC=C1N2	REAL300005843666	1	48	0.0	-76.81	390.95	9.15	-67.66
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)O1	REAL300005843705	0	46	0.0	-71.33	377.54	8.52	-62.81
O=C([O-])C(NC(=O)CCCC[NH+]1CCCC1)C1(C(F)(F)F)CC1	REAL300005843706	0	46	0.0	-73.68	367.87	8.95	-64.73
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)CC2)[NH+]=C1	REAL300005843708	1	49	0.0	-72.70	388.42	8.74	-63.96
C[N@H+](CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)CC1=CC=CC=C1	REAL300005843709	1	43	0.0	-59.72	354.34	8.99	-50.73
C[N@@H+](CC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)CC1=CC=CC=C1	REAL300005843709	1	43	0.0	-65.94	351.05	9.24	-56.70
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1(C(F)(F)F)CC1	REAL300005843734	1	38	0.0	-78.80	333.68	7.10	-71.70
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=NO1	REAL300005843757	1	39	0.0	-77.57	336.79	6.42	-71.15
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843761	0	50	0.0	-70.91	397.10	10.52	-60.39
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843761	1	50	0.0	-72.87	402.46	10.46	-62.41
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843776	0	43	0.0	-59.68	335.96	7.71	-51.97
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005843776	1	43	0.0	-54.31	325.69	7.50	-46.81
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005843796	0	44	0.0	-71.05	356.88	7.48	-63.57
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1(C(F)(F)F)CC1	REAL300005843801	0	47	0.0	-69.94	382.05	8.99	-60.95
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005843951	0	46	0.0	-60.03	354.66	8.79	-51.24
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005843951	1	46	0.0	-60.71	362.48	8.17	-52.54
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1(C(F)(F)F)CC1	REAL300005843977	1	44	0.0	-65.49	350.35	4.67	-60.82
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005844160	0	46	0.0	-53.01	349.55	8.21	-44.80
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005844160	1	46	0.0	-51.72	349.55	8.39	-43.33
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C(C(F)(F)F)C1	REAL300005844161	0	40	0.0	-55.05	341.01	7.22	-47.83
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C(C(F)(F)F)C1	REAL300005844161	1	40	0.0	-70.86	330.63	7.03	-63.83
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)N1	REAL300005844185	1	41	0.0	-58.89	347.90	6.68	-52.21
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=C1	REAL300005844577	0	46	0.0	-79.21	375.03	9.97	-69.24
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=C1	REAL300005844584	0	47	0.0	-84.87	384.24	8.75	-76.12
O=C([O-])C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1(C(F)(F)F)CC1	REAL300005844674	0	53	0.0	-74.39	416.30	11.58	-62.81
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005844703	0	40	0.0	-61.25	328.79	6.98	-54.27
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300005844707	0	46	0.0	-60.71	347.72	8.00	-52.71
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)=CN12	REAL300005844711	0	38	0.0	-68.48	328.13	8.92	-59.56
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005844764	0	49	0.0	-67.16	375.58	9.36	-57.80
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005844764	1	49	0.0	-62.03	379.99	8.81	-53.22
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005844765	0	43	0.0	-63.95	338.64	8.22	-55.73
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005844765	1	43	0.0	-59.21	332.53	8.12	-51.09
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005844769	0	40	0.0	-71.58	321.13	7.25	-64.33
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300005844769	1	40	0.0	-62.88	323.80	6.88	-56.00
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)O1	REAL300005844771	1	40	0.0	-74.24	341.16	7.10	-67.14
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1(C(F)(F)F)CC1	REAL300005844779	1	42	0.0	-60.13	333.36	8.36	-51.77
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1(C(F)(F)F)CC1	REAL300005844779	1	42	0.0	-51.00	320.18	9.03	-41.97
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(C(F)F)=C2)C1	REAL300005844862	0	43	0.0	-50.03	350.87	8.36	-41.67
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(C(F)F)=C2)C1	REAL300005844862	1	43	0.0	-49.71	342.69	8.26	-41.45
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2Cl)C2CC2)C1	REAL300005844970	0	47	0.0	-43.94	363.59	10.98	-32.96
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2Cl)C2CC2)C1	REAL300005844970	1	47	0.0	-43.67	349.42	10.73	-32.94
CC1=CC=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300005845075	0	50	0.0	-46.38	371.49	11.18	-35.20
CC1=CC=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300005845075	1	50	0.0	-47.48	371.29	11.61	-35.87
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN=CC3=C2CCC3)C1	REAL300005845145	1	43	0.0	-53.99	323.99	7.44	-46.55
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN=CC3=C2CCC3)C1	REAL300005845145	1	43	0.0	-52.47	330.20	7.40	-45.07
CC1CC2=C(Cl)C=CC=C2C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005845239	0	47	0.0	-48.74	372.03	10.11	-38.63
CC1CC2=C(Cl)C=CC=C2C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005845239	1	47	0.0	-48.16	368.18	9.70	-38.46
COCCN(CC1=C(C)N(C)N=C1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005845348	0	56	0.0	-48.56	410.18	7.74	-40.82
COCCN(CC1=C(C)N(C)N=C1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005845348	1	56	0.0	-48.84	411.11	8.26	-40.58
CC(C)C1=NN=C2C(C)N(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCN12	REAL300005845464	0	52	0.0	-61.72	390.66	9.58	-52.14
CC(C)C1=NN=C2C(C)N(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCN12	REAL300005845464	1	52	0.0	-56.08	382.55	9.11	-46.97
O=C([O-])C1(C2=CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2)CCOCC1	REAL300005846777	0	59	0.0	-68.30	424.98	11.03	-57.27
O=C([O-])C1(C2=CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2)CCOCC1	REAL300005846777	1	59	0.0	-66.81	422.38	10.68	-56.13
O=C([O-])C1(C2=CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)CCOCC1	REAL300005847451	0	56	0.0	-72.01	384.53	8.96	-63.05
O=C([O-])C1(C2=CCN(C(=O)C3COCC[N@@H+]3C3CCCC3)CC2)CCOCC1	REAL300005847473	1	60	0.0	-62.62	401.79	7.75	-54.87
O=C([O-])C1(C2=CCN(C(=O)C3COCC[N@H+]3C3CCCC3)CC2)CCOCC1	REAL300005847473	1	60	0.0	-58.60	406.60	7.78	-50.82
O=C([O-])C1(C2=CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)CCOCC1	REAL300005847475	0	53	0.0	-62.50	377.17	8.54	-53.96
O=C([O-])C1(C2=CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)CCOCC1	REAL300005847475	1	53	0.0	-63.76	372.89	8.69	-55.07
CC1=[NH+]C=C2CCC(C(=O)N3CC=C(C4(C(=O)[O-])CCOCC4)CC3)CN12	REAL300005847481	1	54	0.0	-62.80	382.96	8.79	-54.01
C[N@@H+]1CCCCC1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847551	0	52	0.0	-61.33	366.75	8.15	-53.18
C[N@H+]1CCCCC1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847551	1	52	0.0	-68.33	365.80	8.08	-60.25
CC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)N1CC[NH+](C)CC1	REAL300005847552	1	57	0.0	-64.30	386.97	5.90	-58.40
C[N@@H+]1CCCC[C@H]1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847587	0	52	0.0	-60.73	366.47	8.15	-52.58
C[N@H+]1CCCC[C@H]1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847587	1	52	0.0	-64.72	354.99	7.66	-57.06
C[NH+]1CCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005847652	0	52	0.0	-75.15	359.67	7.76	-67.39
O=C([O-])C1(C2=CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)CCOCC1	REAL300005847682	0	47	0.0	-69.59	348.29	9.51	-60.08
C[NH+](C)CC1(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CCCCC1	REAL300005847711	0	61	0.0	-78.74	393.16	9.82	-68.92
C[N@H+](CCC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1CCCCC1	REAL300005847716	0	61	0.0	-68.36	418.05	10.02	-58.34
C[N@@H+](CCC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1CCCCC1	REAL300005847716	1	61	0.0	-72.81	424.61	10.21	-62.60
C[N@@H+]1CCCC1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847730	0	49	0.0	-71.16	344.95	7.10	-64.06
C[N@H+]1CCCC1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847730	1	49	0.0	-64.08	344.95	7.10	-56.98
C[NH+]1CCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005847781	0	52	0.0	-75.15	359.67	7.76	-67.39
O=C([O-])C1(C2=CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2)CCOCC1	REAL300005847796	0	62	0.0	-64.53	420.63	10.26	-54.27
O=C([O-])C1(C2=CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2)CCOCC1	REAL300005847796	1	62	0.0	-63.24	412.37	10.11	-53.13
CC1=[NH+]C=CN1CCCC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847831	1	53	0.0	-67.24	390.62	9.32	-57.92
O=C([O-])C1(C2=CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)CCOCC1	REAL300005847832	1	59	0.0	-73.34	417.91	8.01	-65.33
C[C@@H](C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+](C)C	REAL300005847838	0	48	0.0	-60.90	335.39	6.74	-54.16
C[N@@H+]1CCC[C@@H]1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847839	0	49	0.0	-69.78	344.56	7.11	-62.67
C[N@H+]1CCC[C@@H]1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847839	1	49	0.0	-63.58	342.03	7.24	-56.34
C[C@H](C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+](C)C	REAL300005847843	0	48	0.0	-66.01	335.80	6.70	-59.31
C[NH+](C)C1(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005847851	0	49	0.0	-66.45	348.65	7.09	-59.36
O=C([O-])C1(C2=CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC2)CCOCC1	REAL300005847892	0	59	0.0	-67.71	430.48	11.02	-56.69
O=C([O-])C1(C2=CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)CCOCC1	REAL300005847892	1	59	0.0	-71.00	427.34	10.92	-60.08
CCC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+](CC)CC	REAL300005847916	0	57	0.0	-56.47	383.25	8.57	-47.90
CC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300005847918	0	58	0.0	-62.19	412.72	10.33	-51.86
CC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300005847918	1	58	0.0	-67.67	412.47	10.28	-57.39
C[NH+](C)CC1=CC=C(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C=N1	REAL300005847939	0	54	0.0	-79.75	396.95	7.74	-72.01
CCC[NH+](CCC)CCCC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847944	0	63	0.0	-69.04	437.73	10.33	-58.71
CC[N@H+](C)C(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1=CC=CC=C1	REAL300005847945	0	58	0.0	-63.85	408.79	10.24	-53.61
CC[N@@H+](C)C(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1=CC=CC=C1	REAL300005847945	1	58	0.0	-54.82	408.01	10.30	-44.52
C[N@@H+]1CCOC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005847946	1	50	0.0	-74.33	352.34	6.64	-67.69
C[N@H+]1CCOC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005847946	1	50	0.0	-79.15	351.92	6.64	-72.51
CC(C)C1=[NH+]C=CN1CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847957	1	53	0.0	-60.70	385.30	9.11	-51.59
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC2)CCOCC1	REAL300005847968	0	59	0.0	-80.62	420.53	10.65	-69.97
CCC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[N@@H+]1CCOC(CC)C1	REAL300005847975	1	62	0.0	-63.46	421.10	8.40	-55.06
CCC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[N@H+]1CCOC(CC)C1	REAL300005847975	1	62	0.0	-67.26	431.10	8.62	-58.64
C[NH+](C)CC1(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005847977	0	52	0.0	-60.12	374.65	8.16	-51.96
C[NH+](C)CCCCC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005847983	0	54	0.0	-71.96	385.01	8.56	-63.40
CC(C)C(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+](C)C	REAL300005847991	0	54	0.0	-68.71	363.66	7.95	-60.76
CC1=C(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300005848000	1	53	0.0	-77.91	392.27	7.90	-70.01
O=C([O-])C1(C2=CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC2)CCOCC1	REAL300005848014	1	55	0.0	-78.00	407.33	9.04	-68.96
C[NH+](C)CCC1=CC=C(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C=C1	REAL300005848015	0	58	0.0	-83.47	418.21	10.34	-73.13
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848025	1	51	0.0	-60.62	370.68	7.00	-53.62
CCC[N@H+](C)CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848032	0	51	0.0	-64.28	358.88	7.80	-56.48
CCC[N@@H+](C)CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848032	1	51	0.0	-64.08	358.87	7.80	-56.28
C[N@H+](CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1CCC1	REAL300005848053	0	52	0.0	-62.37	365.87	8.36	-54.01
C[N@@H+](CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1CCC1	REAL300005848053	1	52	0.0	-61.55	365.77	8.35	-53.20
CC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+]1CCSCC1	REAL300005848073	1	53	0.0	-65.93	376.40	8.28	-57.65
C[N@H+](CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)CC(C)(C)C	REAL300005848075	0	57	0.0	-63.96	387.47	8.77	-55.19
C[N@@H+](CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)CC(C)(C)C	REAL300005848075	1	57	0.0	-63.22	389.42	8.92	-54.30
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848077	0	58	0.0	-67.60	418.78	10.82	-56.78
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848077	1	58	0.0	-67.83	418.78	10.82	-57.01
COCCOCC[N@H+](C)CCC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848078	0	62	0.0	-67.99	447.80	7.05	-60.94
COCCOCC[N@@H+](C)CCC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848078	1	62	0.0	-74.79	454.41	7.24	-67.55
CC[C@@H](C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+](C)C	REAL300005848081	0	51	0.0	-59.07	346.48	7.26	-51.81
C[N@@H+]1CCCC(O)(CC(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005848083	0	56	0.0	-71.28	393.61	7.03	-64.25
C[N@H+]1CCCC(O)(CC(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005848083	1	56	0.0	-71.88	383.90	6.84	-65.04
CCCCCC[N@H+](C)CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848103	0	60	0.0	-65.53	423.37	10.14	-55.39
CCCCCC[N@@H+](C)CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848103	1	60	0.0	-65.31	423.36	10.14	-55.17
O=C([O-])C1(C2=CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CCOCC1	REAL300005848114	0	53	0.0	-65.93	363.95	7.93	-58.00
O=C([O-])C1(C2=CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)CCOCC1	REAL300005848122	1	47	0.0	-76.72	348.43	9.53	-67.19
C[N@H+](CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1CCSC1	REAL300005848133	0	53	0.0	-74.99	385.63	8.81	-66.18
C[N@@H+](CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1CCSC1	REAL300005848133	1	53	0.0	-66.81	378.91	8.62	-58.19
CC(C)[NH+]1CCN(CCC(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005848149	0	63	0.0	-70.61	435.00	7.59	-63.02
CC(C)N1CC[NH+](CCC(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005848149	1	63	0.0	-68.18	431.49	7.40	-60.78
O=C([O-])C1(C2=CCN(C(=O)C3CCCC4CCC[N@@H+]43)CC2)CCOCC1	REAL300005848150	0	56	0.0	-63.19	378.67	8.64	-54.55
O=C([O-])C1(C2=CCN(C(=O)C3CCCC4CCC[N@H+]43)CC2)CCOCC1	REAL300005848150	1	56	0.0	-71.57	377.06	9.01	-62.56
C[NH+](C)CCN1C=C(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C=N1	REAL300005848151	0	55	0.0	-78.63	399.99	7.49	-71.14
CC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005848164	0	59	0.0	-65.28	421.64	10.88	-54.40
CC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005848164	1	59	0.0	-68.19	416.80	10.80	-57.39
CCCC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+](C)C	REAL300005848181	0	54	0.0	-61.00	372.22	8.20	-52.80
C[NH+](C)CCN1C=CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)=N1	REAL300005848195	0	55	0.0	-87.27	407.49	8.41	-78.86
C[NH+](C)CCN1N=CC=C1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848196	0	55	0.0	-66.36	396.67	7.62	-58.74
C[C@@H]1[C@H](C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC[N@@H+]1C	REAL300005848199	0	52	0.0	-68.97	362.39	7.88	-61.09
C[C@@H]1[C@H](C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC[N@H+]1C	REAL300005848199	1	52	0.0	-70.34	367.55	7.79	-62.55
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848201	1	56	0.0	-65.45	412.19	9.85	-55.60
CC[C@@H]1[C@@H](C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC[N@@H+]1C	REAL300005848204	0	55	0.0	-72.62	383.13	8.17	-64.45
CC[C@@H]1[C@@H](C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC[N@H+]1C	REAL300005848204	1	55	0.0	-71.94	381.63	8.38	-63.56
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)=NN1	REAL300005848206	1	56	0.0	-78.21	402.65	7.73	-70.48
C[N@H+]1CCCC1C1=CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)=NN1	REAL300005848206	1	56	0.0	-78.74	401.57	7.37	-71.37
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848207	0	51	0.0	-60.71	371.24	8.35	-52.36
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848207	1	51	0.0	-64.48	374.97	8.69	-55.79
CC1C[N@H+](C)CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)O1	REAL300005848213	1	53	0.0	-86.78	372.86	7.13	-79.65
CC1C[N@@H+](C)CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)O1	REAL300005848213	1	53	0.0	-86.09	380.10	7.55	-78.54
O=C([O-])C1(C2=CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)CC2)CCOCC1	REAL300005848218	1	58	0.0	-64.81	423.28	9.47	-55.34
O=C([O-])C1(C2=CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)CC2)CCOCC1	REAL300005848218	1	58	0.0	-64.22	418.02	8.83	-55.39
O=C([O-])C1(C2=CCN(C(=O)C[NH+]3CCCC3)CC2)CCOCC1	REAL300005848220	0	49	0.0	-63.24	343.81	7.48	-55.76
CC1=[NH+]C=CN1CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848222	1	47	0.0	-66.86	354.55	8.14	-58.72
CC(C[NH+]1CCOCC1)C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848224	0	56	0.0	-68.08	386.42	6.83	-61.25
CC1CC[NH+](CC(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005848243	0	55	0.0	-64.05	382.30	8.85	-55.20
CC[N@@H+]1CCOC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005848254	1	53	0.0	-72.90	370.17	7.31	-65.59
CC[N@H+]1CCOC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005848254	1	53	0.0	-69.47	377.19	7.51	-61.96
O=C([O-])C1(C2=CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)CC2)CCOCC1	REAL300005848288	0	62	0.0	-69.40	428.58	10.36	-59.04
O=C([O-])C1(C2=CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)CC2)CCOCC1	REAL300005848288	1	62	0.0	-68.17	431.34	10.45	-57.72
C[N@@H+]1CCCC1CCC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848293	0	55	0.0	-74.31	391.02	9.04	-65.27
C[N@H+]1CCCC1CCC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848293	1	55	0.0	-70.33	388.16	8.65	-61.68
O=C([O-])C1(C2=CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CCOCC1	REAL300005848305	0	56	0.0	-82.70	367.46	8.04	-74.66
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848307	0	53	0.0	-76.88	366.29	4.38	-72.50
C[N@H+]1CC(O)CC1(C)C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848307	1	53	0.0	-60.36	356.27	4.00	-56.36
O=C([O-])C1(C2=CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)CCOCC1	REAL300005848308	0	56	0.0	-61.59	385.48	9.06	-52.53
O=C([O-])C1(C2=CCN(C(=O)C3CCC4CCCC[N@H+]43)CC2)CCOCC1	REAL300005848308	1	56	0.0	-62.69	390.71	9.34	-53.35
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848315	0	59	0.0	-61.86	388.55	6.86	-55.00
CC[NH+](CC)CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848330	0	51	0.0	-62.18	351.23	7.43	-54.75
CC(C)[NH+]1CCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005848332	0	58	0.0	-72.05	393.99	8.94	-63.11
O=C([O-])C1(C2=CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CCOCC1	REAL300005848410	0	50	0.0	-63.78	344.00	6.64	-57.14
CCC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+](C)C	REAL300005848413	0	51	0.0	-59.08	346.49	7.26	-51.82
O=C([O-])C1(C2=CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)CCOCC1	REAL300005848421	0	53	0.0	-69.80	358.82	7.43	-62.37
O=C([O-])C1(C2=CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)CCOCC1	REAL300005848421	1	53	0.0	-70.33	359.76	7.35	-62.98
CC1CCC(C)[NH+]1CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848465	0	55	0.0	-60.16	376.36	8.23	-51.93
C[NH+](C)CC1=CC=CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)=C1	REAL300005848466	0	55	0.0	-71.15	395.90	9.48	-61.67
C[NH+](C)C1(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CCC1	REAL300005848499	0	52	0.0	-60.94	347.66	7.32	-53.62
C#CC[NH+]1CCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005848522	0	54	0.0	-74.43	384.34	8.91	-65.52
CCC[N@@H+]1CCCCC1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848524	0	58	0.0	-66.82	395.56	9.16	-57.66
CCC[N@H+]1CCCCC1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848524	1	58	0.0	-65.20	391.68	8.99	-56.21
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848525	0	55	0.0	-52.08	391.70	9.81	-42.27
CC[NH+]1CCN(CCC(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005848527	0	60	0.0	-72.26	418.25	7.08	-65.18
CCN1CC[NH+](CCC(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005848527	1	60	0.0	-72.03	424.77	7.28	-64.75
CC(C)[N@H+](C)CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848528	0	51	0.0	-62.32	354.07	7.56	-54.76
CC(C)[N@@H+](C)CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848528	1	51	0.0	-61.15	354.06	7.57	-53.58
CC(C)C(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+]1CCCCC1	REAL300005848529	0	61	0.0	-58.23	404.01	9.90	-48.33
C[NH+](C)C(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1=CC=CC=C1	REAL300005848530	1	55	0.0	-56.71	387.94	9.57	-47.14
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848537	1	56	0.0	-61.27	405.06	9.57	-51.70
O=C([O-])C1(C2=CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)CCOCC1	REAL300005848543	0	59	0.0	-61.87	398.57	9.72	-52.15
O=C([O-])C1(C2=CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)CCOCC1	REAL300005848543	1	59	0.0	-64.96	405.61	9.77	-55.19
CC[N@H+](CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1CC1	REAL300005848545	0	52	0.0	-61.26	368.81	8.40	-52.86
CC[N@@H+](CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)C1CC1	REAL300005848545	1	52	0.0	-61.88	366.11	8.38	-53.50
CC(C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+]1CCCCCC1	REAL300005848567	0	58	0.0	-59.31	387.26	8.82	-50.49
C[N@@H+]1CCC[C@H]1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848570	0	49	0.0	-60.74	341.71	7.14	-53.60
C[N@H+]1CCC[C@H]1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848570	1	49	0.0	-63.85	344.92	7.09	-56.76
CC(C)(C)[NH2+]CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848634	0	51	0.0	-62.94	358.60	6.08	-56.86
CC[NH+](CC)CC1=CC=C(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)O1	REAL300005848636	0	58	0.0	-79.42	423.60	9.85	-69.57
O=C([O-])C1(C2=CCN(C(=O)CCCC[NH+]3CCCC3)CC2)CCOCC1	REAL300005848637	0	58	0.0	-70.36	410.97	9.73	-60.63
C[N@H+](CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)CC1=CC=CC=C1	REAL300005848639	1	55	0.0	-68.21	396.30	9.97	-58.24
C[N@@H+](CC(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)CC1=CC=CC=C1	REAL300005848639	1	55	0.0	-67.75	396.36	9.97	-57.78
CC(C)[C@@H](C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1)[NH+](C)C	REAL300005848647	0	54	0.0	-60.93	362.28	8.07	-52.86
O=C([O-])C1(C2=CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)CCOCC1	REAL300005848665	1	50	0.0	-76.83	374.98	7.44	-69.39
C[NH+](C)CC1=CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)=NO1	REAL300005848684	1	51	0.0	-77.68	374.96	7.64	-70.04
CC(C)[N@@H+]1CCCC1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848697	0	55	0.0	-64.16	381.92	8.47	-55.69
CC(C)[N@H+]1CCCC1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848697	1	55	0.0	-60.19	373.71	8.81	-51.38
C[NH+]1CCC(OCC(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005848716	0	56	0.0	-76.99	399.60	8.54	-68.45
CCC[N@@H+]1CCCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005848865	0	58	0.0	-62.28	409.02	9.48	-52.80
CCC[N@H+]1CCCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005848865	1	58	0.0	-61.60	400.13	9.57	-52.03
CC(C)C[N@@H+]1CCCC1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848891	0	58	0.0	-67.10	403.65	9.20	-57.90
CC(C)C[N@H+]1CCCC1C(=O)N1CC=C(C2(C(=O)[O-])CCOCC2)CC1	REAL300005848891	1	58	0.0	-66.07	390.97	9.51	-56.56
O=C([O-])C1(C2=CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)CCOCC1	REAL300005848892	0	56	0.0	-64.87	393.13	5.54	-59.33
CC(C)[N@@H+]1CCCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849079	0	58	0.0	-65.06	395.25	9.31	-55.75
CC(C)[N@H+]1CCCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849079	1	58	0.0	-71.64	395.02	9.14	-62.50
C[N@@H+]1CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C(C(F)(F)F)C1	REAL300005849080	0	52	0.0	-82.69	386.07	8.12	-74.57
C[N@H+]1CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C(C(F)(F)F)C1	REAL300005849080	1	52	0.0	-84.74	375.37	8.13	-76.61
CC1=C(C)[NH+]=C(CCC(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)N1	REAL300005849103	1	53	0.0	-62.19	389.88	7.70	-54.49
C[NH+](C)CCC1=CC=CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)=C1	REAL300005849505	0	58	0.0	-72.94	418.39	10.32	-62.62
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849631	0	52	0.0	-75.55	375.27	8.31	-67.24
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300005849635	0	58	0.0	-70.27	394.82	9.02	-61.25
CC1=[NH+]C=C2C=CC(C(=O)N3CC=C(C4(C(=O)[O-])CCOCC4)CC3)=CN21	REAL300005849638	0	50	0.0	-66.32	369.70	9.28	-57.04
CC(C)C[N@@H+]1CCCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849691	0	61	0.0	-66.16	413.42	10.16	-56.00
CC(C)C[N@H+]1CCCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849691	1	61	0.0	-71.44	422.36	10.01	-61.43
CC[N@@H+]1CCCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849692	0	55	0.0	-64.59	377.74	8.75	-55.84
CC[N@H+]1CCCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849692	1	55	0.0	-59.13	378.69	8.89	-50.24
C[N@@H+]1CCCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849697	0	52	0.0	-76.22	370.09	8.08	-68.14
C[N@H+]1CCCC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849697	1	52	0.0	-59.73	361.01	8.23	-51.50
C[NH+](C)CC1=CC=C(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)O1	REAL300005849699	1	52	0.0	-79.17	380.35	8.17	-71.00
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849705	0	61	0.0	-69.75	405.59	9.12	-60.63
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C1	REAL300005849705	1	61	0.0	-79.96	403.56	8.71	-71.25
O=C([O-])C1(C2=CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2)CCOCC1	REAL300005849708	0	54	0.0	-64.76	386.25	9.00	-55.76
O=C([O-])C1(C2=CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2)CCOCC1	REAL300005849708	1	54	0.0	-70.92	377.89	9.90	-61.02
CC(C)CCOCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005849917	1	52	0.0	-48.53	394.38	7.30	-41.23
CN1N=CC=C1CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300005850006	0	47	0.0	-56.92	349.48	8.48	-48.44
CN1N=CC=C1CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300005850006	1	47	0.0	-49.49	348.19	8.37	-41.12
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CO)CC2=CC=CC(F)=C2)C1	REAL300005850116	0	47	0.0	-50.19	372.37	6.01	-44.18
O=C([O-])C1CCC[N@H+](CC(=O)NC(CO)CC2=CC=CC(F)=C2)C1	REAL300005850116	1	47	0.0	-49.91	366.97	6.04	-43.87
CCC1CCCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005850206	0	52	0.0	-47.10	371.66	9.07	-38.03
CCC1CCCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005850206	1	52	0.0	-47.51	370.84	8.79	-38.72
COCC(C)(COC)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005850260	0	47	0.0	-47.67	354.92	4.12	-43.55
COCC(C)(COC)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005850260	1	47	0.0	-48.44	354.67	4.11	-44.33
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CCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005859329	1	56	0.0	-72.49	406.03	12.67	-59.82
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CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300005859427	0	49	0.0	-89.84	359.84	10.72	-79.12
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CCC1(C(=O)[O-])CCCN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300005859469	0	49	0.0	-63.66	364.47	11.14	-52.52
CCC1(C(=O)[O-])CCCN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300005859469	1	49	0.0	-63.67	364.54	11.13	-52.54
CCC1(C(=O)[O-])CCCN1C(=O)CC[N@H+](C)CCOCCOC	REAL300005859470	0	53	0.0	-71.57	394.78	7.54	-64.03
CCC1(C(=O)[O-])CCCN1C(=O)CC[N@@H+](C)CCOCCOC	REAL300005859470	1	53	0.0	-68.32	393.54	7.40	-60.92
CCC1(C(=O)[O-])CCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005859477	0	58	0.0	-76.35	420.91	11.06	-65.29
CCC1(C(=O)[O-])CCCN1C(=O)C[N@H+](C)C1CCSC1	REAL300005859499	0	44	0.0	-62.66	324.65	8.95	-53.71
CCC1(C(=O)[O-])CCCN1C(=O)C[N@@H+](C)C1CCSC1	REAL300005859499	1	44	0.0	-63.50	326.14	9.05	-54.45
CCC1(C(=O)[O-])CCCN1C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300005859509	0	54	0.0	-76.01	380.72	7.97	-68.04
CCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300005859509	1	54	0.0	-67.84	377.05	7.76	-60.08
CCC1(C(=O)[O-])CCCN1C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300005859510	0	57	0.0	-73.13	403.46	8.90	-64.23
CCC1(C(=O)[O-])CCCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300005859510	1	57	0.0	-72.38	398.55	8.55	-63.83
CCC1(C(=O)[O-])CCCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300005859512	0	46	0.0	-85.97	345.40	8.65	-77.32
CCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300005859515	0	58	0.0	-71.75	420.81	10.92	-60.83
CCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005859517	0	55	0.0	-71.71	399.43	10.26	-61.45
CCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005859520	0	52	0.0	-68.90	371.74	10.25	-58.65
CCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005859520	1	52	0.0	-64.34	372.06	10.04	-54.30
CCC1(C(=O)[O-])CCCN1C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005859525	1	50	0.0	-64.43	360.03	11.23	-53.20
CCC1(C(=O)[O-])CCCN1C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300005859525	1	50	0.0	-62.05	356.23	10.91	-51.14
CCC1(C(=O)[O-])CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005859544	0	53	0.0	-76.03	391.83	12.09	-63.94
CCC1(C(=O)[O-])CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005859544	1	53	0.0	-75.60	389.93	11.98	-63.62
CCC1(C(=O)[O-])CCCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300005859555	0	46	0.0	-96.88	350.57	9.20	-87.68
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300005859556	0	46	0.0	-58.14	339.62	7.93	-50.21
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300005859557	1	47	0.0	-64.96	352.56	10.08	-54.88
CCC1(C(=O)[O-])CCCN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300005859560	1	47	0.0	-83.01	344.95	8.07	-74.94
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CCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005859568	0	53	0.0	-69.33	383.28	12.08	-57.25
CCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005859568	1	53	0.0	-59.43	383.32	11.87	-47.56
CCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005859572	0	54	0.0	-72.31	397.20	9.67	-62.64
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CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300005859633	0	55	0.0	-84.26	398.59	10.04	-74.22
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300005859634	0	55	0.0	-68.24	391.82	8.66	-59.58
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300005859634	1	55	0.0	-58.74	391.29	8.53	-50.21
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC2(CC)C(=O)[O-])C=C1	REAL300005859635	0	56	0.0	-85.18	398.91	10.76	-74.42
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005859712	0	57	0.0	-60.62	406.44	8.39	-52.23
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300005859716	0	46	0.0	-62.10	333.21	9.23	-52.87
CCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005859717	0	53	0.0	-66.83	383.44	11.81	-55.02
CCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005859717	1	53	0.0	-68.31	382.10	11.68	-56.63
CC[NH+]1CCN(CCC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300005859758	0	51	0.0	-77.73	363.48	7.42	-70.31
CCN1CC[NH+](CCC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300005859758	1	51	0.0	-67.87	365.24	7.57	-60.30
CCC1(C(=O)[O-])CCCN1C(=O)CCN1C=C[NH+]=C1C(C)C	REAL300005859764	1	47	0.0	-63.87	352.01	10.06	-53.81
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300005859811	1	51	0.0	-85.33	372.35	10.37	-74.96
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300005859811	1	51	0.0	-89.70	374.93	11.03	-78.67
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2(CC)C(=O)[O-])O1	REAL300005859851	0	49	0.0	-82.83	365.21	10.80	-72.03
CCC1(C(=O)[O-])CCCN1C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300005859852	1	52	0.0	-76.66	379.49	9.86	-66.80
CCC1(C(=O)[O-])CCCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300005859853	1	46	0.0	-64.48	342.04	10.28	-54.20
CCC1(C(=O)[O-])CCCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300005859853	1	46	0.0	-64.95	342.04	10.28	-54.67
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300005859856	0	58	0.0	-92.39	408.23	11.03	-81.36
CCC1(C(=O)[O-])CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005859865	1	41	0.0	-84.66	320.39	8.59	-76.07
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CCC1(C(=O)[O-])CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300005859892	1	53	0.0	-81.80	389.30	11.80	-70.00
CCC1(C(=O)[O-])CCCN1C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300005859909	0	54	0.0	-92.42	407.47	11.86	-80.56
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O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCC3=CC=CN=C32)C1	REAL300005862948	0	49	0.0	-46.08	368.96	9.10	-36.98
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCC3=CC=CN=C32)C1	REAL300005862948	1	49	0.0	-45.43	362.72	9.05	-36.38
O=C([O-])C12CC(CNC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)(C1)C2	REAL300005864311	0	51	0.0	-77.02	395.14	10.45	-66.57
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)(C1)C2	REAL300005865093	0	48	0.0	-67.58	372.23	9.41	-58.17
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)(C1)C2	REAL300005865093	1	48	0.0	-67.59	372.16	9.39	-58.20
CC1=[NH+]C=C2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C4)CN21	REAL300005865959	1	43	0.0	-65.50	342.01	8.01	-57.49
O=C([O-])C12CC(CNC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)(C1)C2	REAL300005865960	0	51	0.0	-68.56	397.32	10.37	-58.19
CC1=NC(C[NH+]2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C4)CC2)=CS1	REAL300005866025	1	50	0.0	-74.22	402.48	8.53	-65.69
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300005866098	0	54	0.0	-75.27	428.23	10.02	-65.25
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=C1	REAL300005866112	0	54	0.0	-78.49	429.21	12.35	-66.14
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=C1	REAL300005866112	1	54	0.0	-78.46	429.23	12.35	-66.11
CC1(C(=O)NCC23CC(C(=O)[O-])(C2)C3)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005866113	0	54	0.0	-69.88	408.09	10.91	-58.97
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C[NH+](C)CC1(C(=O)NCC23CC(C(=O)[O-])(C2)C3)CCCCC1	REAL300005866192	0	50	0.0	-71.64	358.72	8.96	-62.68
C[N@H+](CCC(=O)NCC12CC(C(=O)[O-])(C1)C2)C1CCCCC1	REAL300005866195	0	50	0.0	-72.65	372.78	8.86	-63.79
C[N@@H+](CCC(=O)NCC12CC(C(=O)[O-])(C1)C2)C1CCCCC1	REAL300005866195	1	50	0.0	-72.60	372.57	8.87	-63.73
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O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)(C1)C2	REAL300005866220	1	48	0.0	-71.92	378.50	9.45	-62.47
O=C([O-])C12CC(CNC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)(C1)C2	REAL300005866275	0	44	0.0	-73.90	363.39	7.90	-66.00
C[NH+](C)CCN1N=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=C1C1=CC=CC=C1	REAL300005866280	0	54	0.0	-77.92	431.78	10.09	-67.83
O=C([O-])C12CC(CNC(=O)C3CCCC[N@@H+]3C3CCCC3)(C1)C2	REAL300005866306	0	51	0.0	-65.69	367.00	9.20	-56.49
O=C([O-])C12CC(CNC(=O)C3CCCC[N@H+]3C3CCCC3)(C1)C2	REAL300005866306	1	51	0.0	-64.45	371.90	9.08	-55.37
O=C([O-])C12CC(CNC(=O)C3CCC([NH+]4CCOCC4)CC3)(C1)C2	REAL300005866307	0	52	0.0	-75.44	385.89	7.56	-67.88
O=C(CCCC[NH+]1CCOCC1)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866335	1	48	0.0	-75.46	372.42	6.87	-68.59
CC[N@H+](CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=C1)C(C)C	REAL300005866336	0	53	0.0	-75.33	393.01	10.01	-65.32
CC[N@@H+](CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=C1)C(C)C	REAL300005866336	1	53	0.0	-76.01	392.45	10.12	-65.89
O=C([O-])C12CC(CNC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)(C1)C2	REAL300005866359	0	48	0.0	-73.28	379.02	9.73	-63.55
O=C([O-])C12CC(CNC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)(C1)C2	REAL300005866359	1	48	0.0	-73.33	379.10	9.78	-63.55
O=C([O-])C12CC(CNC(=O)C3CC[NH+](C4CCSC4)CC3)(C1)C2	REAL300005866360	0	49	0.0	-79.46	378.16	9.16	-70.30
C[NH+]1CCN(C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C2=CC=CC=C2)CC1	REAL300005866382	1	53	0.0	-71.09	407.77	8.56	-62.53
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866383	0	52	0.0	-72.23	371.10	7.12	-65.11
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300005866386	0	47	0.0	-71.02	369.11	9.25	-61.77
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C2)[N@@H+](C)CC1=CC=CC=C1	REAL300005866386	1	47	0.0	-70.95	369.11	9.24	-61.71
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)(C1)C2	REAL300005866396	0	54	0.0	-69.22	411.75	11.52	-57.70
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)(C1)C2	REAL300005866396	1	54	0.0	-69.26	411.75	11.51	-57.75
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300005866427	0	43	0.0	-75.74	348.31	6.90	-68.84
CCC[NH+](CCC)CCCC(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866438	0	52	0.0	-72.48	392.45	9.19	-63.29
O=C([O-])C12CC(CNC(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)(C1)C2	REAL300005866439	1	52	0.0	-68.83	402.93	7.20	-61.63
CC[N@H+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C2)C1=CC=CC=C1	REAL300005866440	0	47	0.0	-66.54	366.61	9.40	-57.14
CC[N@@H+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C2)C1=CC=CC=C1	REAL300005866440	1	47	0.0	-66.10	367.55	9.39	-56.71
CC[NH+](CC)C(C(=O)NCC12CC(C(=O)[O-])(C1)C2)C1=CC=CC=C1	REAL300005866445	0	50	0.0	-67.17	373.56	9.78	-57.39
C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C2)C1=CC=C(Cl)C=C1	REAL300005866451	1	44	0.0	-71.99	365.55	9.28	-62.71
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)(C1)C2	REAL300005866465	0	48	0.0	-76.79	377.32	9.91	-66.88
O=C([O-])C12CC(CNC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)(C1)C2	REAL300005866472	0	51	0.0	-73.91	394.08	10.60	-63.31
CCN1CCC([NH+]2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C4)CC2)CC1	REAL300005866478	0	59	0.0	-74.07	429.21	8.22	-65.85
CC1C[NH+](CC2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)C4)C=C2)CC(C)O1	REAL300005866485	1	55	0.0	-79.75	427.39	9.64	-70.11
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866494	1	52	0.0	-80.63	401.91	9.76	-70.87
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866494	1	52	0.0	-78.97	408.69	9.80	-69.17
O=C([O-])C12CC(CNC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)(C1)C2	REAL300005866509	0	51	0.0	-67.11	393.03	10.40	-56.71
O=C([O-])C12CC(CNC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)(C1)C2	REAL300005866509	1	51	0.0	-68.08	383.57	10.27	-57.81
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=NN1C1=CC=[NH+]C=C1	REAL300005866511	1	42	0.0	-79.92	348.51	7.12	-72.80
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)(C1)C2	REAL300005866519	0	51	0.0	-76.85	393.86	10.62	-66.23
O=C([O-])C12CC(CNC(=O)C3=NOC(C[NH+]4CCCC4)=C3)(C1)C2	REAL300005866530	1	44	0.0	-78.56	357.77	7.36	-71.20
C[NH+](C)CCC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300005866531	0	47	0.0	-78.92	374.80	9.61	-69.31
O=C([O-])C12CC(CNC(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)(C1)C2	REAL300005866539	1	49	0.0	-78.20	388.27	9.29	-68.91
O=C([O-])C12CC(CNC(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)(C1)C2	REAL300005866539	1	49	0.0	-74.81	381.37	9.15	-65.66
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866545	0	58	0.0	-68.80	438.54	12.10	-56.70
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866545	1	58	0.0	-67.90	434.81	12.12	-55.78
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005866554	0	57	0.0	-69.45	432.58	11.74	-57.71
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866588	0	47	0.0	-74.84	373.50	9.71	-65.13
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866588	1	47	0.0	-74.73	373.30	9.70	-65.03
COCCOCC[N@H+](C)CCC(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866589	0	51	0.0	-73.03	402.32	5.89	-67.14
COCCOCC[N@@H+](C)CCC(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866589	1	51	0.0	-73.79	402.34	5.90	-67.89
O=C([O-])C12CC(CNC(=O)CCC[NH+]3CCN(C4=CC=CC=C4)CC3)(C1)C2	REAL300005866599	0	56	0.0	-77.43	428.46	9.42	-68.01
O=C([O-])C12CC(CNC(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)(C1)C2	REAL300005866600	1	50	0.0	-72.72	378.64	8.53	-64.19
O=C([O-])C12CC(CNC(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)(C1)C2	REAL300005866600	1	50	0.0	-71.87	387.99	8.68	-63.19
CC(C)[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)C3)CC1	REAL300005866635	0	52	0.0	-70.60	389.51	6.45	-64.15
CC(C)N1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)C3)CC1	REAL300005866635	1	52	0.0	-72.72	386.01	6.25	-66.47
CC(C)[NH+]1CCN(CCCC(=O)NCC23CC(C(=O)[O-])(C2)C3)CC1	REAL300005866636	0	55	0.0	-70.12	411.01	7.26	-62.86
CC(C)N1CC[NH+](CCCC(=O)NCC23CC(C(=O)[O-])(C2)C3)CC1	REAL300005866636	1	55	0.0	-73.06	407.51	7.05	-66.01
C[NH+](C)CCN1C=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300005866638	0	44	0.0	-79.49	358.67	6.76	-72.73
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC34CC(C(=O)[O-])(C3)C4)CC2)=C1	REAL300005866643	0	56	0.0	-77.20	428.37	9.28	-67.92
O=C([O-])C12CC(CNC(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)(C1)C2	REAL300005866645	0	53	0.0	-77.22	407.16	8.61	-68.61
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)(C1)C2	REAL300005866649	0	50	0.0	-74.35	384.15	8.89	-65.46
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)(C1)C2	REAL300005866649	1	50	0.0	-72.39	384.08	8.80	-63.59
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005866654	1	48	0.0	-70.32	372.84	9.63	-60.69
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C2)[N@H+]1CCC2=CC=CC=C2C1	REAL300005866654	1	48	0.0	-70.65	369.41	9.82	-60.83
O=C([O-])C12CC(CNC(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)(C1)C2	REAL300005866682	0	51	0.0	-75.62	397.72	10.42	-65.20
O=C([O-])C12CC(CNC(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)(C1)C2	REAL300005866682	1	51	0.0	-75.61	397.85	10.41	-65.20
C[NH+](C)CCN1C=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=N1	REAL300005866694	0	44	0.0	-79.08	359.06	6.79	-72.29
C[NH+](C)CCN1N=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866695	0	44	0.0	-69.60	354.02	6.73	-62.87
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866700	1	45	0.0	-65.88	360.31	8.47	-57.41
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)(C1)C2	REAL300005866714	0	51	0.0	-74.32	395.48	10.73	-63.59
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)(C1)C2	REAL300005866714	1	51	0.0	-71.91	395.63	10.72	-61.19
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)(C1)C2	REAL300005866715	1	47	0.0	-67.51	368.90	7.80	-59.71
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3CC3=CC=CC=N3)(C1)C2	REAL300005866715	1	47	0.0	-71.07	372.41	8.08	-62.99
O=C([O-])C12CC(CNC(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)(C1)C2	REAL300005866719	0	52	0.0	-76.83	404.71	8.03	-68.80
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)CC1	REAL300005866760	1	51	0.0	-80.47	391.14	8.64	-71.83
O=C([O-])C12CC(CNC(=O)C3CC[N@@H+](C4CCCCC4)C3)(C1)C2	REAL300005866761	0	51	0.0	-71.27	380.92	9.19	-62.08
O=C([O-])C12CC(CNC(=O)C3CC[N@H+](C4CCCCC4)C3)(C1)C2	REAL300005866761	1	51	0.0	-69.96	380.00	9.17	-60.79
O=C([O-])C12CC(CNC(=O)C3C[N@H+](CC4=CC=CC=C4)CC34CCOC4)(C1)C2	REAL300005866781	0	56	0.0	-74.48	426.01	9.62	-64.86
O=C([O-])C12CC(CNC(=O)C3C[N@@H+](CC4=CC=CC=C4)CC34CCOC4)(C1)C2	REAL300005866781	1	56	0.0	-79.09	428.62	9.27	-69.82
CC(C)(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866788	0	48	0.0	-71.33	357.76	6.51	-64.82
CC(C)[N@@H+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C(C2=CN(C)N=C2)C1	REAL300005866791	0	57	0.0	-75.50	416.29	8.46	-67.04
CC(C)[N@H+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C(C2=CN(C)N=C2)C1	REAL300005866791	1	57	0.0	-77.87	425.54	8.75	-69.12
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300005866792	0	51	0.0	-79.59	381.48	7.35	-72.24
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300005866792	1	51	0.0	-79.98	398.44	8.10	-71.88
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC34CC(C(=O)[O-])(C3)C4)=C2)CC1	REAL300005866798	0	53	0.0	-72.87	411.20	8.18	-64.69
C[NH+]1CCN(CC2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300005866799	0	53	0.0	-75.44	411.13	8.19	-67.25
CN1CC[NH+](CC2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300005866799	1	53	0.0	-77.82	410.60	8.06	-69.76
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300005866800	0	54	0.0	-74.75	417.30	9.89	-64.86
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCC(CO)CC4)C=C3)(C1)C2	REAL300005866895	0	55	0.0	-79.47	425.55	7.93	-71.54
C[NH+](C)CC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=C1	REAL300005866899	0	44	0.0	-75.16	352.56	8.76	-66.40
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)(C1)C2	REAL300005866900	0	51	0.0	-69.29	389.05	10.66	-58.63
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)(C1)C2	REAL300005866900	1	51	0.0	-69.31	389.22	10.65	-58.66
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866956	0	44	0.0	-64.33	345.24	8.98	-55.35
CC[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)C3)CC1	REAL300005866958	0	49	0.0	-72.14	372.77	5.94	-66.20
CCN1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)C3)CC1	REAL300005866958	1	49	0.0	-72.83	372.97	5.92	-66.91
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C2)[NH+]1CCCCC1	REAL300005866961	0	50	0.0	-66.23	365.45	9.29	-56.94
C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C2)C1=CC=CC=C1	REAL300005866962	1	44	0.0	-68.02	348.82	8.76	-59.26
O=C([O-])C12CC(CNC(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)(C1)C2	REAL300005866966	0	49	0.0	-71.13	388.23	6.72	-64.41
O=C([O-])C12CC(CNC(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)(C1)C2	REAL300005866966	1	49	0.0	-71.28	387.62	6.74	-64.54
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866971	1	45	0.0	-65.47	359.57	8.43	-57.04
C[NH+](C)CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)OC2=CC=CC=C21	REAL300005866972	0	47	0.0	-70.05	373.70	9.09	-60.96
CC[NH+](CC)C(C(=O)NCC12CC(C(=O)[O-])(C1)C2)C1=CC=CC(C(F)(F)F)=C1	REAL300005866974	0	53	0.0	-72.09	413.10	10.46	-61.63
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3C3CCCC3)(C1)C2	REAL300005866977	0	48	0.0	-68.51	350.38	8.63	-59.88
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3C3CCCC3)(C1)C2	REAL300005866977	1	48	0.0	-67.06	360.32	8.66	-58.40
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C2)[NH+]1CC(C)OC(C)C1	REAL300005866999	1	54	0.0	-67.38	398.88	8.32	-59.06
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC34CC(C(=O)[O-])(C3)C4)=CC=C1N2	REAL300005867025	1	49	0.0	-79.51	387.52	9.15	-70.36
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC34CC(C(=O)[O-])(C3)C4)=CC=C1N2	REAL300005867025	1	49	0.0	-79.46	387.51	9.16	-70.30
CC[NH+](CC)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)O1	REAL300005867077	0	47	0.0	-71.87	374.20	8.45	-63.42
CC1=CC=C(N2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C4)CC2)[NH+]=C1	REAL300005867078	1	50	0.0	-68.94	388.17	8.35	-60.59
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C2)CC1=CC=CC=C1	REAL300005867079	1	44	0.0	-74.55	351.02	8.86	-65.69
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C2)CC1=CC=CC=C1	REAL300005867079	1	44	0.0	-74.51	350.87	8.87	-65.64
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300005867082	0	56	0.0	-75.72	420.33	9.13	-66.59
O=C([O-])C12CC(CNC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)(C1)C2	REAL300005867092	1	39	0.0	-79.15	333.66	6.71	-72.44
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005867125	0	51	0.0	-74.23	395.81	10.28	-63.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005867125	1	51	0.0	-74.13	395.61	10.25	-63.88
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300005867143	0	52	0.0	-76.96	416.64	9.75	-67.21
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)(C1)C2	REAL300005867161	0	48	0.0	-73.73	379.44	8.86	-64.87
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C3)[C@@H](C(F)(F)F)C1	REAL300005867191	0	50	0.0	-73.24	388.35	8.49	-64.75
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C3)[C@@H](C(F)(F)F)C1	REAL300005867191	1	50	0.0	-70.33	386.99	8.57	-61.76
O=C([O-])C12CC(CNC(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)(C1)C2	REAL300005867424	0	52	0.0	-75.58	403.11	10.71	-64.87
O=C([O-])C12CC(CNC(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)(C1)C2	REAL300005867424	1	52	0.0	-76.40	405.25	10.69	-65.71
O=C([O-])C12CC(CNC(=O)C3CCCC[N@@H+]3CC3=CC=CC(F)=C3)(C1)C2	REAL300005867455	1	51	0.0	-72.80	390.05	10.33	-62.47
O=C([O-])C12CC(CNC(=O)C3CCCC[N@H+]3CC3=CC=CC(F)=C3)(C1)C2	REAL300005867455	1	51	0.0	-70.17	389.96	10.33	-59.84
C[N@@H+]1CC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C(C(F)(F)F)C1	REAL300005867536	0	41	0.0	-78.88	328.60	7.00	-71.88
C[N@H+]1CC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C(C(F)(F)F)C1	REAL300005867536	1	41	0.0	-76.63	331.73	6.78	-69.85
C[NH+](C)CCC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=C1	REAL300005867959	0	47	0.0	-76.32	375.01	9.58	-66.74
C[NH+](C)CCOC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300005867965	0	48	0.0	-76.30	382.11	8.55	-67.75
O=C([O-])C12CC(CNC(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)(C1)C2	REAL300005868040	0	54	0.0	-74.05	413.83	11.21	-62.84
CC1C[N@H+](CC2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)C4)C=C2)CCO1	REAL300005868042	1	52	0.0	-79.63	406.60	8.96	-70.67
CC1C[N@@H+](CC2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)C4)C=C2)CCO1	REAL300005868042	1	52	0.0	-79.91	406.61	8.96	-70.95
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C1	REAL300005868127	0	50	0.0	-66.07	369.25	9.19	-56.88
CC(C)C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C1	REAL300005868127	1	50	0.0	-66.07	369.25	9.19	-56.88
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(C2)C3)C1	REAL300005868133	0	50	0.0	-74.57	356.72	7.94	-66.63
C[N@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(C2)C3)C1	REAL300005868133	1	50	0.0	-74.57	356.72	7.94	-66.63
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(CC2)C2=CC=CC=C2N3)C1	REAL300005868264	0	51	0.0	-52.24	379.73	10.10	-42.14
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(CC2)C2=CC=CC=C2N3)C1	REAL300005868264	1	51	0.0	-52.24	379.73	10.10	-42.14
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005869410	0	51	0.0	-82.08	409.33	10.31	-71.77
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005870043	1	48	0.0	-71.72	392.53	9.80	-61.92
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005870043	1	48	0.0	-70.40	391.92	9.73	-60.67
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005870934	0	45	0.0	-76.96	355.37	7.96	-69.00
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300005870960	1	42	0.0	-66.32	344.67	7.60	-58.72
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C1CC1	REAL300005870960	1	42	0.0	-66.75	340.47	7.47	-59.28
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC2=C[NH+]=C(C)N2C1	REAL300005870966	1	43	0.0	-67.37	355.84	7.81	-59.56
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005870967	0	51	0.0	-76.99	401.93	10.28	-66.71
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@@H+]1C	REAL300005871048	1	41	0.0	-68.15	319.42	6.51	-61.64
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@H+]1C	REAL300005871048	1	41	0.0	-70.31	319.51	6.51	-63.80
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300005871049	1	46	0.0	-73.25	358.37	4.99	-68.26
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCCC[N@@H+]1C	REAL300005871091	1	41	0.0	-69.67	319.20	6.52	-63.15
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCCC[N@H+]1C	REAL300005871091	1	41	0.0	-68.32	329.19	6.70	-61.62
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C)CC1	REAL300005871179	0	41	0.0	-80.13	332.81	6.74	-73.39
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005871204	0	36	0.0	-73.66	318.17	8.58	-65.08
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300005871237	0	50	0.0	-74.11	375.04	8.49	-65.62
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300005871242	0	50	0.0	-75.84	386.41	8.69	-67.15
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300005871242	1	50	0.0	-75.51	386.41	8.69	-66.82
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C)CC1	REAL300005871312	0	41	0.0	-80.13	332.81	6.74	-73.39
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005871317	0	44	0.0	-83.55	375.85	7.73	-75.82
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005871340	0	51	0.0	-67.35	380.36	9.00	-58.35
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005871340	1	51	0.0	-66.56	381.15	9.00	-57.56
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005871341	0	52	0.0	-71.32	393.41	7.21	-64.11
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCCN1C=C[NH+]=C1C	REAL300005871374	1	42	0.0	-71.54	358.97	8.00	-63.54
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300005871375	1	48	0.0	-78.44	386.26	6.68	-71.76
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1)C(C)C	REAL300005871378	0	53	0.0	-80.17	411.72	10.03	-70.14
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1)C(C)C	REAL300005871378	1	53	0.0	-82.11	403.78	9.78	-72.33
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005871428	0	48	0.0	-74.95	391.20	9.46	-65.49
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005871428	1	48	0.0	-74.61	392.92	9.58	-65.03
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005871429	0	49	0.0	-84.86	389.74	8.98	-75.88
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005871454	0	52	0.0	-76.38	383.93	6.94	-69.44
CCC(C(=O)NC1=CC(C(=O)[O-])=CC(F)=C1OC)[NH+](CC)CC	REAL300005871458	0	46	0.0	-62.73	351.81	7.50	-55.23
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300005871460	1	47	0.0	-73.62	381.67	9.08	-64.54
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300005871460	1	47	0.0	-72.70	381.79	9.08	-63.62
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300005871492	0	43	0.0	-81.12	361.93	7.11	-74.01
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300005871501	0	52	0.0	-74.60	409.75	9.28	-65.32
CC[N@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=CC(F)=C1OC)C1=CC=CC=C1	REAL300005871502	1	47	0.0	-69.80	374.04	9.02	-60.78
CC[N@@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=CC(F)=C1OC)C1=CC=CC=C1	REAL300005871502	1	47	0.0	-64.05	380.51	9.24	-54.81
CC[NH+](CC)C(C(=O)NC1=CC(C(=O)[O-])=CC(F)=C1OC)C1=CC=CC=C1	REAL300005871507	0	50	0.0	-69.56	387.17	9.42	-60.14
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CN1C=C[NH+]=C1C(C)C	REAL300005871516	1	42	0.0	-66.57	351.85	7.83	-58.74
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005871534	0	48	0.0	-85.19	389.13	9.75	-75.44
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005871542	0	51	0.0	-74.66	407.71	10.43	-64.23
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CC1	REAL300005871548	0	41	0.0	-74.22	332.32	6.80	-67.42
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+](C)C	REAL300005871557	0	43	0.0	-76.86	353.36	7.22	-69.64
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C(C(C)C)[NH+](C)C	REAL300005871566	0	43	0.0	-68.00	332.43	6.98	-61.02
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005871579	1	51	0.0	-70.63	405.45	10.23	-60.40
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005871579	1	51	0.0	-70.76	395.25	10.08	-60.68
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300005871581	1	42	0.0	-80.01	362.14	6.92	-73.09
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CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)CC[N@@H+]1C	REAL300005871827	0	44	0.0	-73.46	345.01	6.78	-66.68
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COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C[NH+]1CCC(C)CC1	REAL300005871864	1	44	0.0	-72.58	350.57	7.58	-65.00
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COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C12CC[NH+](CC1)C2	REAL300005872042	0	39	0.0	-76.35	319.52	5.64	-70.71
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C12CC[N@H+](C1)CCC2	REAL300005872052	0	42	0.0	-74.34	330.28	6.29	-68.05
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300005872052	1	42	0.0	-75.14	328.20	6.32	-68.82
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COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1([NH+](C)C)CCC1	REAL300005872142	0	41	0.0	-79.14	316.25	6.95	-72.19
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COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCN1C=C[NH+]=C1C(C)C	REAL300005872189	1	45	0.0	-67.30	373.44	8.25	-59.05
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COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005872196	0	48	0.0	-68.76	370.85	8.59	-60.17
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300005872196	1	48	0.0	-70.10	372.94	8.45	-61.65
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COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300005872335	0	43	0.0	-68.79	335.51	6.96	-61.83
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300005872382	1	40	0.0	-79.87	345.26	6.06	-73.81
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COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C(C)C	REAL300005872400	1	44	0.0	-67.12	346.87	7.21	-59.91
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COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005872431	0	48	0.0	-81.52	394.15	8.78	-72.74
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C1	REAL300005872623	0	47	0.0	-72.36	371.55	8.09	-64.27
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C1	REAL300005872623	1	47	0.0	-72.39	370.38	8.12	-64.27
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1CC(C)C	REAL300005872654	0	47	0.0	-68.65	372.52	8.29	-60.36
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1CC(C)C	REAL300005872654	1	47	0.0	-72.03	360.24	8.13	-63.90
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005872761	0	52	0.0	-77.43	417.01	10.55	-66.88
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005872761	1	52	0.0	-78.22	417.69	10.55	-67.67
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300005872891	0	47	0.0	-70.77	366.72	7.86	-62.91
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300005872891	1	47	0.0	-63.39	360.45	8.07	-55.32
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300005872892	0	41	0.0	-79.57	351.97	6.82	-72.75
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300005872892	1	41	0.0	-81.28	351.55	6.89	-74.39
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300005872918	1	42	0.0	-68.45	358.23	6.38	-62.07
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300005873415	0	47	0.0	-77.72	388.64	9.42	-68.30
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300005873422	0	48	0.0	-85.58	394.12	8.39	-77.19
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300005873559	0	41	0.0	-72.73	337.54	6.83	-65.90
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300005873563	0	47	0.0	-62.79	359.75	7.77	-55.02
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CN2C(C)=[NH+]C=C2C=C1	REAL300005873567	0	39	0.0	-70.01	339.59	8.36	-61.65
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300005873631	0	50	0.0	-65.15	382.76	8.98	-56.17
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300005873631	1	50	0.0	-66.47	383.12	8.99	-57.48
CC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C1	REAL300005873632	0	44	0.0	-71.71	350.07	7.36	-64.35
CC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C1	REAL300005873632	1	44	0.0	-71.39	350.46	7.35	-64.04
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](C)C1	REAL300005873636	0	41	0.0	-73.32	332.87	6.70	-66.62
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](C)C1	REAL300005873636	1	41	0.0	-62.99	326.16	6.88	-56.11
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300005873638	1	41	0.0	-83.11	352.58	6.89	-76.22
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300005873644	0	50	0.0	-77.27	378.04	8.19	-69.08
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300005873644	1	50	0.0	-78.40	370.39	7.74	-70.66
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC3=CC=CN=C3)CC2)C1	REAL300005873729	0	51	0.0	-51.13	382.59	7.58	-43.55
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC3=CC=CN=C3)CC2)C1	REAL300005873729	1	51	0.0	-50.34	382.30	7.56	-42.78
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C3=NC4=CC=CC=C4N3)CC2)C1	REAL300005873856	1	55	0.0	-54.60	418.52	8.94	-45.66
CCCC1C2=CC=CC=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005873967	0	53	0.0	-48.14	372.99	11.37	-36.77
CCCC1C2=CC=CC=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005873967	1	53	0.0	-48.82	379.02	11.38	-37.44
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CC3(CC3(F)F)C2)C1	REAL300005874057	0	44	0.0	-52.28	350.95	8.05	-44.23
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CC3(CC3(F)F)C2)C1	REAL300005874057	1	44	0.0	-51.36	344.73	8.03	-43.33
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300005874176	0	46	0.0	-52.09	379.69	8.20	-43.89
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300005874176	1	46	0.0	-50.54	373.48	8.18	-42.36
CC1(C)OC2(CNC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CC1(C(=O)[O-])C2	REAL300005875321	0	58	0.0	-73.09	434.97	9.46	-63.63
CC1(C)OC2(CNC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300005875954	0	55	0.0	-62.78	412.74	8.41	-54.37
CC1(C)OC2(CNC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300005875954	1	55	0.0	-64.50	419.50	8.99	-55.51
CC1(C)OC2(CNC(=O)C3CC[NH+](C4CC4)CC3)CC1(C(=O)[O-])C2	REAL300005876845	0	52	0.0	-67.51	383.32	7.09	-60.42
CC1(C)OC2(CNC(=O)C3CCC[N@@H+]3C3CC3)CC1(C(=O)[O-])C2	REAL300005876871	0	49	0.0	-64.00	368.48	6.30	-57.70
CC1(C)OC2(CNC(=O)C3CCC[N@H+]3C3CC3)CC1(C(=O)[O-])C2	REAL300005876871	1	49	0.0	-60.55	366.36	6.60	-53.95
CC1=[NH+]C=C2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)(C)O4)CN21	REAL300005876877	1	50	0.0	-61.09	382.71	7.04	-54.05
CC1(C)OC2(CNC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300005876878	0	58	0.0	-68.27	427.04	8.99	-59.28
C[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005876959	0	48	0.0	-62.45	356.65	5.86	-56.59
C[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005876959	1	48	0.0	-62.55	357.18	5.88	-56.67
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)N1CC[NH+](C)CC1	REAL300005876960	1	53	0.0	-66.87	384.85	4.04	-62.83
C[N@@H+]1CCCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877002	0	48	0.0	-62.22	357.20	5.88	-56.34
C[N@H+]1CCCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877002	1	48	0.0	-63.91	346.53	5.65	-58.26
C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005877090	0	48	0.0	-70.38	358.47	5.88	-64.50
CC1(C)OC2(CNC(=O)C3=CN4C=[NH+]C=C4C=C3)CC1(C(=O)[O-])C2	REAL300005877115	0	43	0.0	-67.99	344.08	7.72	-60.27
C[NH+](C)CC1(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CCCCC1	REAL300005877148	0	57	0.0	-68.01	399.64	7.97	-60.04
C[N@H+](CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1CCCCC1	REAL300005877153	0	57	0.0	-67.93	412.32	7.80	-60.13
C[N@@H+](CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1CCCCC1	REAL300005877153	1	57	0.0	-68.06	412.32	7.80	-60.26
CC1(C)OC2(CNC(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)CC1(C(=O)[O-])C2	REAL300005877170	1	55	0.0	-69.47	426.92	9.07	-60.40
CC1(C)OC2(CNC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)CC1(C(=O)[O-])C2	REAL300005877170	1	55	0.0	-69.07	425.91	9.06	-60.01
C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005877223	0	48	0.0	-70.38	358.47	5.88	-64.50
CC1(C)OC2(CNC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CC1(C(=O)[O-])C2	REAL300005877228	0	51	0.0	-71.35	403.14	6.84	-64.51
CC1(C)OC2(CNC(=O)C3CCCC[N@@H+]3C3CCCC3)CC1(C(=O)[O-])C2	REAL300005877251	0	58	0.0	-59.83	411.86	8.02	-51.81
CC1(C)OC2(CNC(=O)C3CCCC[N@H+]3C3CCCC3)CC1(C(=O)[O-])C2	REAL300005877251	1	58	0.0	-60.48	406.51	8.14	-52.34
CC1(C)OC2(CNC(=O)C3CCC([NH+]4CCOCC4)CC3)CC1(C(=O)[O-])C2	REAL300005877252	0	59	0.0	-64.66	419.10	6.34	-58.32
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877285	1	49	0.0	-64.78	384.88	7.13	-57.65
CC1(C)OC2(CNC(=O)CCCC[NH+]3CCOCC3)CC1(C(=O)[O-])C2	REAL300005877286	1	55	0.0	-71.37	412.18	5.82	-65.55
CC[N@H+](CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1)C(C)C	REAL300005877289	0	60	0.0	-70.70	437.04	9.15	-61.55
CC[N@@H+](CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1)C(C)C	REAL300005877289	1	60	0.0	-70.51	431.42	8.89	-61.62
CC1(C)OC2(CNC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300005877339	0	55	0.0	-69.30	420.31	8.71	-60.59
CC1(C)OC2(CNC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300005877339	1	55	0.0	-68.59	419.70	8.77	-59.82
CC1(C)OC2(CNC(=O)C3CC[NH+](C4CCSC4)CC3)CC1(C(=O)[O-])C2	REAL300005877340	0	56	0.0	-74.87	413.68	7.86	-67.01
CC1(C)OC2(CNC(=O)CC3([NH+]4CCOCC4)CCCC3)CC1(C(=O)[O-])C2	REAL300005877365	0	59	0.0	-67.55	411.30	6.11	-61.44
CCC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)[NH+](CC)CC	REAL300005877369	0	53	0.0	-59.17	380.17	6.59	-52.58
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)[N@H+](C)CC1=CC=CC=C1	REAL300005877371	0	54	0.0	-65.67	408.82	8.21	-57.46
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)[N@@H+](C)CC1=CC=CC=C1	REAL300005877371	1	54	0.0	-65.93	408.86	8.19	-57.74
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=N1	REAL300005877403	0	50	0.0	-72.63	387.84	6.24	-66.39
CCC[NH+](CCC)CCCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877412	0	59	0.0	-68.13	431.99	8.15	-59.98
CC[N@H+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1=CC=CC=C1	REAL300005877413	0	54	0.0	-61.23	407.09	8.32	-52.91
CC[N@@H+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1=CC=CC=C1	REAL300005877413	1	54	0.0	-61.82	407.20	8.32	-53.50
C[N@@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005877415	1	46	0.0	-74.62	353.02	4.79	-69.83
C[N@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005877415	1	46	0.0	-74.11	352.65	4.74	-69.37
CC[NH+](CC)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1=CC=CC=C1	REAL300005877418	0	57	0.0	-61.33	415.57	8.50	-52.83
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877427	1	49	0.0	-60.94	383.27	7.00	-53.94
C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1=CC=C(Cl)C=C1	REAL300005877432	1	51	0.0	-66.18	405.30	8.23	-57.95
CC1(C)OC2(CNC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC1(C(=O)[O-])C2	REAL300005877445	0	55	0.0	-73.75	416.87	8.86	-64.89
CC1(C)OC2(CNC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)CC1(C(=O)[O-])C2	REAL300005877453	0	58	0.0	-69.77	433.62	9.56	-60.21
C[NH+](C)CC1(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005877459	0	48	0.0	-66.16	367.29	6.07	-60.09
C[NH+](C)CCCCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877468	0	50	0.0	-69.62	379.27	6.35	-63.27
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)[NH+](C)C	REAL300005877477	0	50	0.0	-62.88	358.24	5.75	-57.13
CC1(C)OC2(CNC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300005877490	0	58	0.0	-62.85	434.38	9.49	-53.36
CC1(C)OC2(CNC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300005877490	1	58	0.0	-62.85	422.80	9.25	-53.60
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=NN1C1=CC=[NH+]C=C1	REAL300005877492	1	49	0.0	-75.71	388.07	6.08	-69.63
CC1(C)OC2(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)CC1(C(=O)[O-])C2	REAL300005877500	0	58	0.0	-73.94	433.61	9.57	-64.37
CC1(C)OC2(CNC(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC1(C(=O)[O-])C2	REAL300005877514	1	51	0.0	-74.50	397.29	6.31	-68.19
C[NH+](C)CCC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300005877515	0	54	0.0	-76.11	414.55	8.56	-67.55
CNC1=[NH+]C(C)=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877527	1	47	0.0	-58.99	363.21	5.29	-53.70
CC1(C)OC2(CNC(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)CC1(C(=O)[O-])C2	REAL300005877529	1	56	0.0	-74.53	429.38	8.31	-66.22
CC1(C)OC2(CNC(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)CC1(C(=O)[O-])C2	REAL300005877529	1	56	0.0	-70.64	422.05	8.16	-62.48
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1CCC1	REAL300005877560	0	48	0.0	-63.12	360.01	6.20	-56.92
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1CCC1	REAL300005877560	1	48	0.0	-63.28	360.14	6.21	-57.07
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)CC(C)(C)C	REAL300005877589	0	53	0.0	-64.78	383.54	6.72	-58.06
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)CC(C)(C)C	REAL300005877589	1	53	0.0	-64.74	383.69	6.77	-57.97
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877591	0	54	0.0	-69.35	413.05	8.66	-60.69
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877591	1	54	0.0	-69.41	413.05	8.66	-60.75
COCCOCC[N@H+](C)CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877592	0	58	0.0	-68.25	442.07	4.84	-63.41
COCCOCC[N@@H+](C)CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877592	1	58	0.0	-69.29	442.09	4.85	-64.44
C[N@@H+]1CCCC(O)(CC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005877597	0	52	0.0	-66.66	382.69	4.73	-61.93
C[N@H+]1CCCC(O)(CC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005877597	1	52	0.0	-66.97	371.63	4.49	-62.48
CCCCCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877621	0	56	0.0	-66.66	417.63	7.98	-58.68
CCCCCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877621	1	56	0.0	-66.59	417.63	7.98	-58.61
CC1(C)OC2(CNC(=O)C34CCC[NH+]3CCC4)CC1(C(=O)[O-])C2	REAL300005877631	0	49	0.0	-64.06	359.84	6.29	-57.77
CC1(C)OC2(CNC(=O)C3=CC4=C[NH+]=CN4C=C3)CC1(C(=O)[O-])C2	REAL300005877639	1	43	0.0	-71.55	344.35	7.74	-63.81
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1CCSC1	REAL300005877653	0	49	0.0	-70.14	373.26	6.47	-63.67
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1CCSC1	REAL300005877653	1	49	0.0	-70.44	373.25	6.44	-64.00
CC(C)[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005877669	0	59	0.0	-66.75	429.26	5.40	-61.35
CC(C)N1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005877669	1	59	0.0	-68.02	425.57	5.19	-62.83
CC(C)[NH+]1CCN(CCCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005877670	0	62	0.0	-65.97	450.76	6.20	-59.77
CC(C)N1CC[NH+](CCCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005877670	1	62	0.0	-68.79	447.07	5.99	-62.80
CC1(C)OC2(CNC(=O)C3CCCC4CCC[N@@H+]43)CC1(C(=O)[O-])C2	REAL300005877671	0	52	0.0	-58.83	379.65	7.13	-51.70
CC1(C)OC2(CNC(=O)C3CCCC4CCC[N@H+]43)CC1(C(=O)[O-])C2	REAL300005877671	1	52	0.0	-61.98	370.57	6.81	-55.17
C[NH+](C)CCN1C=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=N1	REAL300005877673	0	51	0.0	-75.69	398.22	5.72	-69.97
CC1(C)OC2(CNC(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)CC1(C(=O)[O-])C2	REAL300005877684	0	57	0.0	-71.45	430.88	7.71	-63.74
CC1(C)OC2(CNC(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)CC1(C(=O)[O-])C2	REAL300005877684	1	57	0.0	-67.44	423.62	7.76	-59.68
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005877689	1	55	0.0	-65.33	408.97	8.78	-56.55
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)[N@H+]1CCC2=CC=CC=C2C1	REAL300005877689	1	55	0.0	-66.49	411.81	8.93	-57.56
CCCC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)[NH+](C)C	REAL300005877710	0	50	0.0	-64.50	369.16	6.59	-57.91
CC1(C)OC2(CNC(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300005877712	0	58	0.0	-71.89	439.05	9.42	-62.47
CC1(C)OC2(CNC(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300005877712	1	58	0.0	-72.26	440.31	9.55	-62.71
C[NH+](C)CCN1C=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=N1	REAL300005877727	0	51	0.0	-77.28	398.60	5.72	-71.56
C[NH+](C)CCN1N=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877728	0	51	0.0	-64.66	393.94	5.71	-58.95
C[C@@H]1[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC[N@@H+]1C	REAL300005877733	0	48	0.0	-67.78	352.81	5.50	-62.28
C[C@@H]1[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC[N@H+]1C	REAL300005877733	1	48	0.0	-66.89	357.36	5.75	-61.14
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877735	1	52	0.0	-61.29	399.86	7.43	-53.86
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC[N@@H+]1C	REAL300005877738	0	51	0.0	-68.85	372.53	6.06	-62.79
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC[N@H+]1C	REAL300005877738	1	51	0.0	-65.34	376.27	6.50	-58.84
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877741	1	47	0.0	-61.92	360.54	5.99	-55.93
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877741	1	47	0.0	-62.09	366.42	6.50	-55.59
CC1C[N@H+](C)CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)O1	REAL300005877748	1	49	0.0	-75.45	366.60	5.04	-70.41
CC1C[N@@H+](C)CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)O1	REAL300005877748	1	49	0.0	-67.11	366.72	5.32	-61.79
CC1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877758	1	43	0.0	-62.45	343.34	5.83	-56.62
CC(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877760	0	52	0.0	-68.13	385.22	4.96	-63.17
CC1CC[NH+](CC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005877775	0	51	0.0	-65.40	376.48	6.70	-58.70
CC[N@@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005877787	1	49	0.0	-67.37	363.65	5.29	-62.08
CC[N@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005877787	1	49	0.0	-66.96	363.27	5.23	-61.73
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005877825	1	58	0.0	-74.56	435.70	7.79	-66.77
CC1(C)OC2(CNC(=O)C3CC[N@@H+](C4CCCCC4)C3)CC1(C(=O)[O-])C2	REAL300005877826	0	58	0.0	-65.57	419.38	8.14	-57.43
CC1(C)OC2(CNC(=O)C3CC[N@H+](C4CCCCC4)C3)CC1(C(=O)[O-])C2	REAL300005877826	1	58	0.0	-66.30	419.91	8.16	-58.14
C[N@@H+]1CCCC1CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877833	0	51	0.0	-68.56	382.64	6.78	-61.78
C[N@H+]1CCCC1CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877833	1	51	0.0	-66.54	375.84	6.24	-60.30
CC1(C)OC2(CNC(=O)C34CCC[NH+](CCC3)C4)CC1(C(=O)[O-])C2	REAL300005877846	0	52	0.0	-69.05	372.98	6.55	-62.50
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877848	1	49	0.0	-69.44	363.00	2.63	-66.81
C[N@H+]1CC(O)CC1(C)C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877848	1	49	0.0	-68.20	361.19	2.56	-65.64
CC1(C)OC2(CNC(=O)C3CCC4CCCC[N@@H+]43)CC1(C(=O)[O-])C2	REAL300005877849	0	52	0.0	-60.06	383.18	7.23	-52.83
CC1(C)OC2(CNC(=O)C3CCC4CCCC[N@H+]43)CC1(C(=O)[O-])C2	REAL300005877849	1	52	0.0	-60.03	382.75	7.24	-52.79
CC(C)(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005877856	0	55	0.0	-64.91	394.74	5.31	-59.60
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=N1	REAL300005877861	0	58	0.0	-77.31	431.82	6.65	-70.66
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=N1	REAL300005877861	1	58	0.0	-75.37	437.93	7.04	-68.33
CC(C)[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005877873	0	54	0.0	-66.98	389.17	6.84	-60.14
CC1(C)OC2(CNC(=O)C34CC[NH+](CC3)C4)CC1(C(=O)[O-])C2	REAL300005877953	0	46	0.0	-68.87	346.75	4.82	-64.05
CC1(C)OC2(CNC(=O)C34CC[N@H+](C3)CCC4)CC1(C(=O)[O-])C2	REAL300005877963	0	49	0.0	-68.43	357.22	5.49	-62.94
CC1(C)OC2(CNC(=O)C34CC[N@@H+](C3)CCC4)CC1(C(=O)[O-])C2	REAL300005877963	1	49	0.0	-71.23	356.22	5.62	-65.61
CC1CCC(C)[NH+]1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878011	0	51	0.0	-61.59	371.84	6.28	-55.31
C[NH+](C)CC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300005878012	0	51	0.0	-71.27	392.11	7.71	-63.56
CC1(C)OC2(CNC(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300005878013	0	58	0.0	-67.69	436.39	9.47	-58.22
CC1(C)OC2(CNC(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300005878013	1	58	0.0	-67.32	434.95	9.42	-57.90
C[NH+](C)C1(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CCC1	REAL300005878053	0	48	0.0	-66.57	346.36	5.84	-60.73
C#CC[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005878084	0	50	0.0	-71.16	383.14	7.04	-64.12
CCC[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878086	0	54	0.0	-62.92	387.07	7.12	-55.80
CCC[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878086	1	54	0.0	-61.80	396.76	7.25	-54.55
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878087	0	51	0.0	-59.15	384.81	7.94	-51.21
CC[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005878089	0	56	0.0	-68.41	411.36	4.74	-63.67
CCN1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005878089	1	56	0.0	-68.09	412.01	4.84	-63.25
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)[NH+]1CCCCC1	REAL300005878090	0	57	0.0	-61.34	405.20	8.27	-53.07
C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1=CC=CC=C1	REAL300005878091	1	51	0.0	-63.07	388.63	7.71	-55.36
CC1(C)OC2(CNC(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300005878095	0	56	0.0	-66.99	427.68	5.69	-61.30
CC1(C)OC2(CNC(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300005878095	1	56	0.0	-67.29	428.77	5.73	-61.56
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878100	1	52	0.0	-60.97	399.32	7.38	-53.59
C[NH+](C)CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)OC2=CC=CC=C21	REAL300005878101	0	54	0.0	-64.18	419.24	8.06	-56.12
CC1(C)OC2(CNC(=O)C3CCC[N@@H+]3C3CCCC3)CC1(C(=O)[O-])C2	REAL300005878107	0	55	0.0	-62.08	398.12	7.80	-54.28
CC1(C)OC2(CNC(=O)C3CCC[N@H+]3C3CCCC3)CC1(C(=O)[O-])C2	REAL300005878107	1	55	0.0	-63.29	401.67	7.74	-55.55
CC[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1CC1	REAL300005878109	0	48	0.0	-61.64	362.51	6.25	-55.39
CC[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1CC1	REAL300005878109	1	48	0.0	-62.57	360.27	6.20	-56.37
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)[NH+]1CCCCCC1	REAL300005878139	0	54	0.0	-61.22	382.93	6.68	-54.54
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)(C)O4)=CC=C1N2	REAL300005878181	1	56	0.0	-76.09	428.19	8.22	-67.87
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)(C)O4)=CC=C1N2	REAL300005878181	1	56	0.0	-76.51	429.42	8.22	-68.29
CC[NH+](CC)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)O1	REAL300005878231	0	54	0.0	-69.24	414.11	7.41	-61.83
CC1(C)OC2(CNC(=O)CCCC[NH+]3CCCC3)CC1(C(=O)[O-])C2	REAL300005878232	0	54	0.0	-68.13	405.24	7.54	-60.59
CC1=CC=C(N2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)(C)O4)CC2)[NH+]=C1	REAL300005878234	1	57	0.0	-65.11	427.94	7.29	-57.82
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)CC1=CC=CC=C1	REAL300005878235	1	51	0.0	-69.20	390.57	7.81	-61.39
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)CC1=CC=CC=C1	REAL300005878235	1	51	0.0	-69.14	390.62	7.81	-61.33
CC(C)[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2)[NH+](C)C	REAL300005878246	0	50	0.0	-64.04	363.75	6.33	-57.71
CC1(C)OC2(CNC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC1(C(=O)[O-])C2	REAL300005878264	1	46	0.0	-74.89	373.21	5.66	-69.23
C[NH+](C)CC1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=NO1	REAL300005878293	1	47	0.0	-75.92	371.99	5.19	-70.73
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878297	0	58	0.0	-69.83	434.99	9.23	-60.60
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878297	1	58	0.0	-69.79	436.40	9.38	-60.41
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878311	0	51	0.0	-62.60	366.43	6.56	-56.04
CC(C)[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878311	1	51	0.0	-60.89	373.88	6.42	-54.47
C[NH+]1CCC(OCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005878337	0	52	0.0	-73.06	393.86	6.31	-66.75
CC1(C)OC2(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)CC1(C(=O)[O-])C2	REAL300005878342	0	55	0.0	-70.85	418.99	7.81	-63.04
CCC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005878534	0	54	0.0	-65.97	397.65	7.24	-58.73
CCC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005878534	1	54	0.0	-61.08	392.72	7.51	-53.57
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878565	0	54	0.0	-62.80	400.49	7.55	-55.25
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005878565	1	54	0.0	-62.41	399.95	7.48	-54.93
CC1(C)OC2(CNC(=O)C[NH+]3CCC(CO)CC3)CC1(C(=O)[O-])C2	REAL300005878566	1	52	0.0	-66.74	387.70	3.40	-63.34
CC1(C)OC2(CNC(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)CC1(C(=O)[O-])C2	REAL300005878672	0	59	0.0	-72.61	444.19	9.81	-62.80
CC1(C)OC2(CNC(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)CC1(C(=O)[O-])C2	REAL300005878672	1	59	0.0	-70.26	445.23	9.75	-60.51
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005878802	0	54	0.0	-60.08	386.55	7.21	-52.87
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005878802	1	54	0.0	-60.08	387.92	7.28	-52.80
C[N@@H+]1CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C(F)(F)F)C1	REAL300005878803	0	48	0.0	-71.73	378.83	6.09	-65.64
C[N@H+]1CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C(F)(F)F)C1	REAL300005878803	1	48	0.0	-74.66	368.20	6.98	-67.68
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)N1	REAL300005878829	1	49	0.0	-61.83	384.14	5.51	-56.32
C[NH+](C)CCC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300005879326	0	54	0.0	-72.71	414.56	8.54	-64.17
C[NH+](C)CCOC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300005879333	0	55	0.0	-73.40	421.85	7.49	-65.91
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005879470	0	48	0.0	-67.91	365.38	6.05	-61.86
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300005879474	0	54	0.0	-64.73	387.53	6.98	-57.75
CC1=[NH+]C=C2C=CC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)(C)O4)=CN21	REAL300005879478	0	46	0.0	-63.98	365.50	7.49	-56.49
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005879542	0	57	0.0	-61.86	410.16	8.19	-53.67
CC(C)C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005879542	1	57	0.0	-66.20	416.46	8.01	-58.19
CC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005879543	0	51	0.0	-61.39	371.60	6.82	-54.57
CC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005879543	1	51	0.0	-60.88	370.71	6.78	-54.10
C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005879547	0	48	0.0	-61.93	353.94	6.17	-55.76
C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005879547	1	48	0.0	-61.83	353.10	6.11	-55.72
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)O1	REAL300005879549	1	48	0.0	-72.49	378.49	6.03	-66.46
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005879555	0	57	0.0	-70.17	404.86	7.42	-62.75
C[N@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300005879555	1	57	0.0	-71.87	399.10	7.07	-64.80
CC1(C)OC2(CNC(=O)C34CC(C3)C[N@H+]4C3CC3)CC1(C(=O)[O-])C2	REAL300005879558	1	50	0.0	-63.83	373.65	7.65	-56.18
O=C([O-])COCC1CCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005880780	0	57	0.0	-77.69	428.38	11.52	-66.17
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005881470	0	54	0.0	-71.41	410.00	10.92	-60.49
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005881470	1	54	0.0	-72.57	411.40	10.93	-61.64
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005882308	1	54	0.0	-74.15	421.40	11.03	-63.12
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005882308	1	54	0.0	-76.49	428.13	11.45	-65.04
O=C([O-])COCC1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300005882392	0	51	0.0	-74.37	377.22	9.21	-65.16
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300005882421	0	48	0.0	-67.84	361.21	8.71	-59.13
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300005882421	1	48	0.0	-67.10	359.95	8.60	-58.50
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(COCC(=O)[O-])C3)CN12	REAL300005882427	1	49	0.0	-67.88	377.08	9.06	-58.82
O=C([O-])COCC1CCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300005882428	0	57	0.0	-69.63	417.97	10.80	-58.83
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(COCC(=O)[O-])C3)CC2)=CS1	REAL300005882506	1	56	0.0	-74.95	436.13	9.61	-65.34
CC(C(=O)N1CCCC(COCC(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300005882507	1	52	0.0	-76.35	383.87	6.32	-70.03
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(COCC(=O)[O-])C2)C=C1	REAL300005882593	0	60	0.0	-86.94	462.56	11.18	-75.76
CC1(C(=O)N2CCCC(COCC(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005882605	0	60	0.0	-68.41	432.49	11.47	-56.94
O=C([O-])COCC1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300005882663	0	42	0.0	-80.80	342.87	9.75	-71.05
C[NH+](C)CC1(C(=O)N2CCCC(COCC(=O)[O-])C2)CCCCC1	REAL300005882696	0	56	0.0	-80.79	383.53	9.85	-70.94
C[N@H+](CCC(=O)N1CCCC(COCC(=O)[O-])C1)C1CCCCC1	REAL300005882701	0	56	0.0	-76.01	406.67	10.06	-65.95
C[N@@H+](CCC(=O)N1CCCC(COCC(=O)[O-])C1)C1CCCCC1	REAL300005882701	1	56	0.0	-76.35	406.66	10.06	-66.29
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005882720	1	57	0.0	-72.28	432.01	11.65	-60.63
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005882720	1	57	0.0	-77.43	423.74	11.27	-66.16
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005882721	1	54	0.0	-74.93	411.08	10.58	-64.35
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005882721	1	54	0.0	-77.50	417.80	11.00	-66.50
O=C([O-])COCC1CCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300005882776	0	50	0.0	-86.33	396.96	8.68	-77.65
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300005882800	0	57	0.0	-67.84	397.71	10.04	-57.80
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300005882800	1	57	0.0	-65.76	403.22	10.13	-55.63
O=C([O-])COCC1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300005882801	0	58	0.0	-77.31	419.49	8.58	-68.73
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005882831	1	48	0.0	-72.42	379.22	9.36	-63.06
O=C([O-])COCC1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300005882832	1	54	0.0	-78.79	406.52	8.04	-70.75
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C=C1)C(C)C	REAL300005882834	0	59	0.0	-88.41	430.43	11.00	-77.41
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C=C1)C(C)C	REAL300005882834	1	59	0.0	-87.08	425.28	10.76	-76.32
O=C([O-])COCC1CCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005882869	0	54	0.0	-76.60	409.75	10.79	-65.81
O=C([O-])COCC1CCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005882869	1	54	0.0	-75.00	408.75	10.71	-64.29
O=C([O-])COCC1CCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300005882870	0	55	0.0	-80.62	407.41	9.98	-70.64
C[NH+]1CCN(C(C(=O)N2CCCC(COCC(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300005882898	1	59	0.0	-72.09	440.09	9.39	-62.70
O=C([O-])COCC1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300005882899	0	58	0.0	-76.37	401.15	8.14	-68.23
CCC(C(=O)N1CCCC(COCC(=O)[O-])C1)[NH+](CC)CC	REAL300005882903	0	52	0.0	-68.11	369.90	8.92	-59.19
CC(C(=O)N1CCCC(COCC(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300005882905	0	53	0.0	-71.84	401.20	10.37	-61.47
CC(C(=O)N1CCCC(COCC(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005882905	1	53	0.0	-72.82	401.68	10.40	-62.42
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300005882915	0	60	0.0	-79.75	442.43	12.28	-67.47
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300005882915	1	60	0.0	-75.06	451.33	12.40	-62.66
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C=N1	REAL300005882939	0	49	0.0	-88.30	382.12	7.73	-80.57
CCC[NH+](CCC)CCCC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005882948	0	58	0.0	-75.20	430.81	10.67	-64.53
O=C([O-])COCC1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300005882949	1	58	0.0	-69.29	432.23	8.19	-61.10
CC[N@H+](C)C(C(=O)N1CCCC(COCC(=O)[O-])C1)C1=CC=CC=C1	REAL300005882950	0	53	0.0	-65.96	394.21	10.27	-55.69
CC[N@@H+](C)C(C(=O)N1CCCC(COCC(=O)[O-])C1)C1=CC=CC=C1	REAL300005882950	1	53	0.0	-65.90	394.24	10.27	-55.63
C[N@@H+]1CCOC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005882952	1	45	0.0	-80.96	341.11	6.67	-74.29
C[N@H+]1CCOC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005882952	1	45	0.0	-78.90	334.27	6.50	-72.40
CC[NH+](CC)C(C(=O)N1CCCC(COCC(=O)[O-])C1)C1=CC=CC=C1	REAL300005882955	0	56	0.0	-66.66	406.22	10.58	-56.08
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005882963	1	48	0.0	-69.16	374.18	9.15	-60.01
C[NH+](C)C(C(=O)N1CCCC(COCC(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005882967	1	50	0.0	-74.88	396.84	10.26	-64.62
O=C([O-])COCC1CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300005882980	0	54	0.0	-56.74	411.33	10.74	-46.00
O=C([O-])COCC1CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300005882987	0	57	0.0	-81.51	428.66	11.46	-70.05
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(COCC(=O)[O-])C3)CC2)CC1	REAL300005882993	0	65	0.0	-75.34	458.47	9.05	-66.29
C[NH+](C)CCCCC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883005	0	49	0.0	-77.04	373.61	8.59	-68.45
CC(C)C(C(=O)N1CCCC(COCC(=O)[O-])C1)[NH+](C)C	REAL300005883013	0	49	0.0	-72.51	346.79	8.03	-64.48
O=C([O-])COCC1CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005883015	1	58	0.0	-82.12	442.55	11.01	-71.11
O=C([O-])COCC1CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005883015	1	58	0.0	-82.38	432.12	10.48	-71.90
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005883027	0	57	0.0	-68.37	414.24	11.02	-57.35
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005883027	1	57	0.0	-69.43	414.30	11.09	-58.34
CC1=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300005883029	1	48	0.0	-85.51	380.84	7.94	-77.57
O=C([O-])COCC1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300005883037	0	57	0.0	-91.33	428.65	11.47	-79.86
O=C([O-])COCC1CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300005883050	1	50	0.0	-84.02	390.16	8.89	-75.13
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C=C1	REAL300005883051	0	53	0.0	-93.51	409.68	10.46	-83.05
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883063	1	46	0.0	-69.37	360.84	6.99	-62.38
O=C([O-])COCC1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005883064	1	55	0.0	-82.13	410.92	10.07	-72.06
O=C([O-])COCC1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005883064	1	55	0.0	-82.13	410.98	10.05	-72.08
CC(C(=O)N1CCCC(COCC(=O)[O-])C1)[NH+]1CCSCC1	REAL300005883121	1	48	0.0	-72.37	364.75	8.38	-63.99
C[N@H+](CC(=O)N1CCCC(COCC(=O)[O-])C1)CC(C)(C)C	REAL300005883127	0	52	0.0	-72.72	376.09	8.81	-63.91
C[N@@H+](CC(=O)N1CCCC(COCC(=O)[O-])C1)CC(C)(C)C	REAL300005883127	1	52	0.0	-72.61	378.05	8.98	-63.63
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883129	0	53	0.0	-76.40	407.39	10.85	-65.55
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883129	1	53	0.0	-76.44	407.38	10.86	-65.58
COCCOCC[N@H+](C)CCC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883130	0	57	0.0	-75.57	436.38	7.09	-68.48
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883130	1	57	0.0	-77.50	436.48	7.10	-70.40
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005883134	0	51	0.0	-68.04	368.77	6.61	-61.43
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005883134	1	51	0.0	-74.33	366.00	6.73	-67.60
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300005883151	1	56	0.0	-72.83	409.27	9.29	-63.54
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300005883151	1	56	0.0	-74.67	420.39	9.81	-64.86
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300005883152	1	56	0.0	-73.90	409.20	9.24	-64.66
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300005883152	1	56	0.0	-75.84	419.22	9.73	-66.11
CCCCCC[N@H+](C)CC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883154	0	55	0.0	-74.03	411.97	10.17	-63.86
CCCCCC[N@@H+](C)CC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883154	1	55	0.0	-74.06	412.00	10.18	-63.88
O=C([O-])COCC1CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300005883164	0	48	0.0	-70.38	339.14	7.84	-62.54
O=C([O-])COCC1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300005883172	1	42	0.0	-84.22	342.98	9.78	-74.44
C[N@H+](CC(=O)N1CCCC(COCC(=O)[O-])C1)C1CCSC1	REAL300005883190	0	48	0.0	-77.79	367.65	8.68	-69.11
C[N@@H+](CC(=O)N1CCCC(COCC(=O)[O-])C1)C1CCSC1	REAL300005883190	1	48	0.0	-79.10	367.62	8.65	-70.45
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005883205	0	58	0.0	-80.07	423.92	7.63	-72.44
CC(C)N1CC[NH+](CCC(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005883205	1	58	0.0	-76.07	420.15	7.46	-68.61
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005883206	0	61	0.0	-72.32	445.10	8.43	-63.89
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005883206	1	61	0.0	-76.28	441.60	8.23	-68.05
O=C([O-])COCC1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300005883207	0	51	0.0	-68.90	360.64	8.49	-60.41
O=C([O-])COCC1CCCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300005883207	1	51	0.0	-73.39	359.46	8.86	-64.53
C[NH+](C)CCN1C=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C=N1	REAL300005883209	0	50	0.0	-96.70	389.91	7.56	-89.14
O=C([O-])COCC1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005883218	0	59	0.0	-80.49	441.11	9.82	-70.67
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300005883221	0	56	0.0	-75.61	423.74	9.76	-65.85
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300005883221	1	56	0.0	-77.56	423.60	9.66	-67.90
CC(C(=O)N1CCCC(COCC(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005883226	0	54	0.0	-68.71	402.72	10.73	-57.98
CC(C(=O)N1CCCC(COCC(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005883226	1	54	0.0	-72.77	401.56	10.72	-62.05
CCC(CC)C(C(=O)N1CCCC(COCC(=O)[O-])C1)[NH+]1CCOCC1	REAL300005883243	1	60	0.0	-66.68	413.09	8.65	-58.03
CCCC(C(=O)N1CCCC(COCC(=O)[O-])C1)[NH+](C)C	REAL300005883249	0	49	0.0	-73.01	360.13	8.24	-64.77
O=C([O-])COCC1CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005883251	0	57	0.0	-79.31	432.85	11.68	-67.63
O=C([O-])COCC1CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005883251	1	57	0.0	-79.91	433.93	11.72	-68.19
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(COCC(=O)[O-])C2)=N1	REAL300005883266	0	50	0.0	-97.22	389.98	8.20	-89.02
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883267	0	50	0.0	-65.49	384.43	7.63	-57.86
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883273	1	51	0.0	-68.88	394.20	9.68	-59.20
CC[C@@H]1[C@@H](C(=O)N2CCCC(COCC(=O)[O-])C2)CC[N@@H+]1C	REAL300005883276	0	50	0.0	-73.45	362.95	8.00	-65.45
CC[C@@H]1[C@@H](C(=O)N2CCCC(COCC(=O)[O-])C2)CC[N@H+]1C	REAL300005883276	1	50	0.0	-71.49	363.55	8.35	-63.14
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(COCC(=O)[O-])C2)=NN1	REAL300005883279	1	51	0.0	-87.32	391.45	7.77	-79.55
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(COCC(=O)[O-])C2)=NN1	REAL300005883279	1	51	0.0	-83.07	384.29	7.22	-75.85
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883280	0	46	0.0	-70.87	353.56	8.16	-62.71
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883280	1	46	0.0	-69.28	356.58	8.53	-60.75
CC1C[N@H+](C)CC(C(=O)N2CCCC(COCC(=O)[O-])C2)O1	REAL300005883288	1	48	0.0	-81.86	355.07	6.99	-74.87
CC1C[N@@H+](C)CC(C(=O)N2CCCC(COCC(=O)[O-])C2)O1	REAL300005883288	1	48	0.0	-87.16	355.06	6.98	-80.18
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005883294	0	57	0.0	-80.22	435.80	11.60	-68.62
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005883294	1	57	0.0	-77.53	435.14	11.58	-65.95
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300005883295	1	53	0.0	-66.57	401.35	8.91	-57.66
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300005883295	1	53	0.0	-68.00	400.55	8.68	-59.32
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883300	0	51	0.0	-74.94	377.95	6.95	-67.99
O=C([O-])COCC1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300005883301	0	58	0.0	-80.62	438.33	9.19	-71.43
CC1CC[NH+](CC(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005883311	0	50	0.0	-73.12	370.89	8.91	-64.21
CC[N@@H+]1CCOC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005883326	1	48	0.0	-77.73	352.01	7.14	-70.59
CC[N@H+]1CCOC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005883326	1	48	0.0	-75.64	352.40	7.16	-68.48
O=C([O-])COCC1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300005883366	0	57	0.0	-74.93	411.13	10.22	-64.71
O=C([O-])COCC1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300005883366	1	57	0.0	-75.12	409.81	10.17	-64.95
C[N@@H+]1CCCC1CCC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883373	0	50	0.0	-78.31	375.70	8.96	-69.35
C[N@H+]1CCCC1CCC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883373	1	50	0.0	-74.11	370.25	8.50	-65.61
O=C([O-])COCC1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300005883385	0	51	0.0	-75.39	356.94	8.12	-67.27
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883389	0	48	0.0	-70.69	349.28	3.81	-66.88
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883389	1	48	0.0	-77.04	345.25	4.14	-72.90
O=C([O-])COCC1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300005883390	0	51	0.0	-66.99	372.70	9.19	-57.80
O=C([O-])COCC1CCCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300005883390	1	51	0.0	-67.32	368.43	8.90	-58.42
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883398	0	54	0.0	-73.84	381.56	6.94	-66.90
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(COCC(=O)[O-])C2)C=N1	REAL300005883403	0	57	0.0	-86.44	434.67	9.19	-77.25
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(COCC(=O)[O-])C2)C=N1	REAL300005883403	1	57	0.0	-82.11	419.43	8.91	-73.20
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(COCC(=O)[O-])C3)=C2)CC1	REAL300005883407	0	59	0.0	-56.00	445.70	9.02	-46.98
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(COCC(=O)[O-])C3)C=C2)CC1	REAL300005883408	0	59	0.0	-86.34	445.18	9.01	-77.33
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(COCC(=O)[O-])C3)C=C2)CC1	REAL300005883408	1	59	0.0	-92.15	445.32	8.92	-83.23
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C=C1	REAL300005883409	0	60	0.0	-88.85	451.37	10.70	-78.15
CC(C)[NH+]1CCC(C(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005883417	0	53	0.0	-74.61	386.56	9.18	-65.43
O=C([O-])COCC1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300005883504	0	48	0.0	-78.02	339.71	7.17	-70.85
O=C([O-])COCC1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300005883504	1	48	0.0	-75.92	341.06	7.24	-68.68
CC1CCC(C)[NH+]1CC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883557	0	50	0.0	-68.55	365.27	8.30	-60.25
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(COCC(=O)[O-])C2)=C1	REAL300005883558	0	50	0.0	-82.92	387.09	9.60	-73.32
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005883559	0	57	0.0	-76.53	429.37	11.53	-65.00
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005883559	1	57	0.0	-73.24	418.82	11.38	-61.86
C#CC[NH+]1CCC(C(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005883630	0	49	0.0	-79.01	377.51	9.20	-69.81
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883632	0	53	0.0	-69.21	387.21	9.34	-59.87
CCC[N@H+]1CCCCC1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883632	1	53	0.0	-68.34	376.92	8.87	-59.47
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883633	0	50	0.0	-69.41	383.64	9.63	-59.78
CC[NH+]1CCN(CCC(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005883635	0	55	0.0	-81.60	406.68	7.07	-74.53
CCN1CC[NH+](CCC(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005883635	1	55	0.0	-76.13	406.91	7.14	-68.99
CC(C)C(C(=O)N1CCCC(COCC(=O)[O-])C1)[NH+]1CCCCC1	REAL300005883637	0	56	0.0	-67.43	391.97	9.93	-57.50
C[NH+](C)C(C(=O)N1CCCC(COCC(=O)[O-])C1)C1=CC=CC=C1	REAL300005883638	1	50	0.0	-70.80	380.02	9.72	-61.08
O=C([O-])COCC1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005883642	0	55	0.0	-76.01	419.54	7.81	-68.20
O=C([O-])COCC1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005883642	1	55	0.0	-69.66	415.16	7.91	-61.75
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883648	1	51	0.0	-71.21	393.93	9.59	-61.62
C[NH+](C)CC1=C(C(=O)N2CCCC(COCC(=O)[O-])C2)OC2=CC=CC=C21	REAL300005883649	0	53	0.0	-60.95	410.49	10.18	-50.77
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300005883654	0	54	0.0	-69.20	387.53	9.76	-59.44
O=C([O-])COCC1CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300005883654	1	54	0.0	-71.84	385.78	10.22	-61.62
O=C([O-])COCC1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300005883683	1	55	0.0	-67.09	420.61	11.28	-55.81
CC(C)C(C(=O)N1CCCC(COCC(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300005883684	1	60	0.0	-67.80	413.81	8.68	-59.12
CC(C(=O)N1CCCC(COCC(=O)[O-])C1)[NH+]1CCCCCC1	REAL300005883685	0	53	0.0	-65.45	372.89	8.76	-56.69
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(COCC(=O)[O-])C3)=CC=C1N2	REAL300005883723	1	55	0.0	-87.01	420.82	9.97	-77.04
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(COCC(=O)[O-])C3)=CC=C1N2	REAL300005883723	1	55	0.0	-85.93	422.22	9.99	-75.94
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)O1	REAL300005883776	0	53	0.0	-87.40	405.20	9.51	-77.89
O=C([O-])COCC1CCCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300005883777	0	53	0.0	-75.53	399.58	9.77	-65.76
CC1=CC=C(N2CCC(C(=O)N3CCCC(COCC(=O)[O-])C3)CC2)[NH+]=C1	REAL300005883779	1	56	0.0	-70.89	421.66	9.40	-61.49
C[N@H+](CC(=O)N1CCCC(COCC(=O)[O-])C1)CC1=CC=CC=C1	REAL300005883780	1	50	0.0	-76.92	384.90	10.01	-66.91
C[N@@H+](CC(=O)N1CCCC(COCC(=O)[O-])C1)CC1=CC=CC=C1	REAL300005883780	1	50	0.0	-76.94	384.96	10.02	-66.92
CC(C)[C@@H](C(=O)N1CCCC(COCC(=O)[O-])C1)[NH+](C)C	REAL300005883791	0	49	0.0	-68.28	349.89	7.83	-60.45
O=C([O-])COCC1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005883804	1	45	0.0	-84.78	364.85	7.51	-77.27
C[NH+](C)CC1=CC(C(=O)N2CCCC(COCC(=O)[O-])C2)=NO1	REAL300005883835	1	46	0.0	-84.65	363.46	7.65	-77.00
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883839	0	57	0.0	-76.44	425.22	11.50	-64.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883839	1	57	0.0	-74.26	427.49	11.49	-62.77
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883856	0	50	0.0	-67.40	355.35	8.65	-58.75
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005883856	1	50	0.0	-68.55	355.54	8.51	-60.04
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(COCC(=O)[O-])C2)C=C1	REAL300005883863	0	58	0.0	-89.18	449.87	10.88	-78.30
C[NH+]1CCC(OCC(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005883883	0	51	0.0	-87.19	388.49	8.58	-78.61
O=C([O-])COCC1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300005883888	0	54	0.0	-88.52	410.36	9.90	-78.62
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(COCC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300005883933	0	56	0.0	-78.90	420.84	9.59	-69.31
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(COCC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300005883933	1	56	0.0	-69.29	415.70	9.35	-59.94
CCC[N@@H+]1CCCC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005884083	0	53	0.0	-66.69	382.31	9.47	-57.22
CCC[N@H+]1CCCC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005884083	1	53	0.0	-67.93	381.47	9.22	-58.71
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005884116	0	53	0.0	-69.29	386.60	9.26	-60.03
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005884116	1	53	0.0	-70.67	379.60	9.58	-61.09
O=C([O-])COCC1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300005884117	0	51	0.0	-74.12	381.67	5.58	-68.54
O=C([O-])COCC1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300005884220	0	58	0.0	-75.48	431.82	11.57	-63.91
O=C([O-])COCC1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300005884220	1	58	0.0	-84.84	434.91	11.62	-73.22
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300005884262	1	57	0.0	-71.17	431.97	11.63	-59.54
O=C([O-])COCC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300005884262	1	57	0.0	-75.32	424.00	11.28	-64.04
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005884355	0	53	0.0	-64.83	377.65	9.21	-55.62
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005884355	1	53	0.0	-68.34	386.62	9.13	-59.21
C[N@@H+]1CC(C(=O)N2CCCC(COCC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005884356	0	47	0.0	-79.10	368.35	7.94	-71.16
C[N@H+]1CC(C(=O)N2CCCC(COCC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005884356	1	47	0.0	-86.23	368.52	7.95	-78.28
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(COCC(=O)[O-])C2)N1	REAL300005884380	1	48	0.0	-71.92	379.67	7.77	-64.15
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(COCC(=O)[O-])C2)=C1	REAL300005884878	0	53	0.0	-82.50	409.59	10.44	-72.06
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C=C1	REAL300005884886	0	54	0.0	-89.02	416.09	9.37	-79.65
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CC1CN(CC2=CC=C(C(=O)N3CCCC(COCC(=O)[O-])C3)C=C2)CCO1	REAL300005884988	0	58	0.0	-92.60	433.87	9.75	-82.85
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(COCC(=O)[O-])C3)C=C2)CCO1	REAL300005884988	1	58	0.0	-93.73	434.49	9.78	-83.95
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(COCC(=O)[O-])C3)C=C2)CCO1	REAL300005884988	1	58	0.0	-93.73	434.49	9.78	-83.95
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(COCC(=O)[O-])C2)CC1	REAL300005885034	0	53	0.0	-71.59	376.93	8.89	-62.70
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005885102	0	56	0.0	-72.69	408.87	10.03	-62.66
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005885102	1	56	0.0	-72.69	408.87	10.03	-62.66
CC[N@@H+]1CCCC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005885103	0	50	0.0	-67.28	362.08	8.75	-58.53
CC[N@H+]1CCCC(C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005885103	1	50	0.0	-67.28	362.08	8.75	-58.53
CN(C)CC1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)O1	REAL300005885109	0	47	0.0	-90.28	369.83	8.13	-82.15
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)O1	REAL300005885109	1	47	0.0	-90.28	369.83	8.13	-82.15
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005885114	0	56	0.0	-80.80	390.86	8.90	-71.90
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(COCC(=O)[O-])C2)C1	REAL300005885114	1	56	0.0	-80.80	390.86	8.90	-71.90
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CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005886482	0	53	0.0	-85.60	400.99	13.20	-72.40
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1CC[NH+](C2CC2)CC1	REAL300005887818	0	47	0.0	-65.12	355.82	10.87	-54.25
CC1=[NH+]C=C2CCC(C(=O)N(C)C3=CC=CC(C(=O)[O-])=C3C)CN12	REAL300005887846	1	45	0.0	-71.10	348.53	10.60	-60.50
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CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C(C)N1CC[NH+](C)CC1	REAL300005887913	1	48	0.0	-76.80	355.21	7.86	-68.94
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CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005888042	0	38	0.0	-58.27	311.44	11.01	-47.26
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CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CC[N@H+](C)C1CCCCC1	REAL300005888072	0	52	0.0	-81.14	386.93	11.90	-69.24
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300005888072	1	52	0.0	-81.71	386.93	11.89	-69.82
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CC1=[NH+]C=CN1CCCC(=O)N(C)C1=CC=CC(C(=O)[O-])=C1C	REAL300005888175	1	44	0.0	-76.37	359.50	11.21	-65.16
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CCCC[NH+]1CCOCC1	REAL300005888176	1	50	0.0	-84.16	386.79	9.89	-74.27
CC[N@H+](CC1=CC=C(C(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)C=C1)C(C)C	REAL300005888177	0	55	0.0	-64.91	396.73	12.13	-52.78
CC[N@@H+](CC1=CC=C(C(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)C=C1)C(C)C	REAL300005888177	1	55	0.0	-84.01	401.63	12.59	-71.42
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005888196	0	50	0.0	-81.37	392.96	12.74	-68.63
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CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005888225	0	54	0.0	-79.70	380.63	10.16	-69.54
CCC(C(=O)N(C)C1=CC=CC(C(=O)[O-])=C1C)[NH+](CC)CC	REAL300005888229	0	48	0.0	-68.22	349.53	10.18	-58.04
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CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300005888231	1	49	0.0	-74.55	378.66	12.06	-62.49
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CCC[NH+](CCC)CCCC(=O)N(C)C1=CC=CC(C(=O)[O-])=C1C	REAL300005888261	0	54	0.0	-80.29	411.57	12.56	-67.73
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CN1C=C[NH+]=C1C(C)C	REAL300005888269	1	44	0.0	-70.31	350.50	10.93	-59.38
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CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005888289	0	53	0.0	-83.90	406.46	13.23	-70.67
CCN1CCC([NH+]2CCC(C(=O)N(C)C3=CC=CC(C(=O)[O-])=C3C)CC2)CC1	REAL300005888294	0	61	0.0	-82.15	433.66	10.78	-71.37
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300005888300	1	57	0.0	-56.75	430.86	11.85	-44.90
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005888311	1	54	0.0	-89.25	412.43	12.73	-76.52
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005888311	1	54	0.0	-92.04	416.49	12.82	-79.22
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005888330	0	53	0.0	-59.95	397.57	12.82	-47.13
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005888341	1	46	0.0	-70.98	366.74	10.60	-60.38
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300005888342	0	49	0.0	-66.21	378.50	11.80	-54.41
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CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C[N@H+](C)CC(C)(C)C	REAL300005888396	0	48	0.0	-74.19	355.75	10.72	-63.47
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300005888396	1	48	0.0	-75.17	351.73	10.60	-64.57
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CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300005888398	1	49	0.0	-78.96	384.00	12.64	-66.32
COCCOCC[N@H+](C)CCC(=O)N(C)C1=CC=CC(C(=O)[O-])=C1C	REAL300005888399	0	53	0.0	-81.07	416.86	8.93	-72.14
COCCOCC[N@@H+](C)CCC(=O)N(C)C1=CC=CC(C(=O)[O-])=C1C	REAL300005888399	1	53	0.0	-81.10	416.70	8.93	-72.17
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300005888402	0	47	0.0	-70.18	358.95	8.66	-61.52
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300005888402	1	47	0.0	-69.07	345.70	8.40	-60.67
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005888410	0	58	0.0	-85.43	442.82	12.44	-72.99
CCCCCC[N@H+](C)CC(=O)N(C)C1=CC=CC(C(=O)[O-])=C1C	REAL300005888412	0	51	0.0	-76.80	389.38	11.92	-64.88
CCCCCC[N@@H+](C)CC(=O)N(C)C1=CC=CC(C(=O)[O-])=C1C	REAL300005888412	1	51	0.0	-77.10	388.58	11.96	-65.14
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CC1=CC=C(N2CCC(C(=O)NC(CC(=O)[O-])C3=NC=CS3)CC2)[NH+]=C1	REAL300005894400	1	48	0.0	-60.83	393.94	6.96	-53.87
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=NC=CS1)CC1=CC=CC=C1	REAL300005894401	1	42	0.0	-64.59	352.64	7.15	-57.44
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=NC=CS1)CC1=CC=CC=C1	REAL300005894401	1	42	0.0	-52.16	356.62	7.59	-44.57
O=C([O-])CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=NC=CS1	REAL300005894423	1	37	0.0	-74.45	335.24	4.93	-69.52
C[NH+](C)CC1=CC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)=NO1	REAL300005894454	1	38	0.0	-76.37	333.24	4.44	-71.93
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(=O)[O-])C1=NC=CS1	REAL300005894458	0	49	0.0	-65.88	404.58	8.93	-56.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(=O)[O-])C1=NC=CS1	REAL300005894458	1	49	0.0	-58.99	397.64	8.65	-50.34
CC(C)[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=NC=CS1	REAL300005894475	0	42	0.0	-51.93	327.25	6.29	-45.64
CC(C)[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=NC=CS1	REAL300005894475	1	42	0.0	-52.51	326.64	6.14	-46.37
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC(=O)[O-])C2=NC=CS2)C=C1	REAL300005894482	0	50	0.0	-74.51	422.40	8.47	-66.04
C[NH+]1CCC(OCC(=O)NC(CC(=O)[O-])C2=NC=CS2)CC1	REAL300005894502	0	43	0.0	-69.32	360.07	5.97	-63.35
O=C([O-])CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NC=CS1	REAL300005894507	0	46	0.0	-68.60	386.18	7.53	-61.07
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC(=O)[O-])C2=NC=CS2)[C@@H](C(F)(F)F)C1	REAL300005894552	0	48	0.0	-50.79	393.87	7.15	-43.64
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC(=O)[O-])C2=NC=CS2)[C@@H](C(F)(F)F)C1	REAL300005894552	1	48	0.0	-46.30	392.52	7.21	-39.09
CCC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C1	REAL300005894702	0	45	0.0	-72.61	359.27	6.71	-65.90
CCC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C1	REAL300005894702	1	45	0.0	-63.82	359.49	6.56	-57.26
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=NC=CS1	REAL300005894735	0	45	0.0	-67.18	360.67	6.87	-60.31
CC(C)C[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=NC=CS1	REAL300005894735	1	45	0.0	-69.89	350.94	6.92	-62.97
O=C([O-])CC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=NC=CS1	REAL300005894838	0	50	0.0	-69.37	404.66	8.99	-60.38
O=C([O-])CC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=NC=CS1	REAL300005894838	1	50	0.0	-56.44	411.01	9.31	-47.13
CC(C)[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C1	REAL300005894973	0	45	0.0	-62.87	353.83	6.24	-56.63
CC(C)[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C1	REAL300005894973	1	45	0.0	-53.09	352.21	6.88	-46.21
C[N@@H+]1CC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C(C(F)(F)F)C1	REAL300005894974	0	39	0.0	-53.81	343.91	5.72	-48.09
C[N@H+]1CC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C(C(F)(F)F)C1	REAL300005894974	1	39	0.0	-75.43	344.08	5.65	-69.78
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(=O)[O-])C2=NC=CS2)N1	REAL300005894998	1	40	0.0	-52.48	350.35	5.16	-47.32
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)=C1	REAL300005895498	0	45	0.0	-74.07	375.78	7.79	-66.28
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C=C1	REAL300005895506	0	46	0.0	-72.23	387.84	7.19	-65.04
O=C([O-])CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NC=CS1	REAL300005895607	0	52	0.0	-69.13	415.65	9.43	-59.70
CC1CN(CC2=CC=C(C(=O)NC(CC(=O)[O-])C3=NC=CS3)C=C2)CCO1	REAL300005895609	0	50	0.0	-75.45	405.55	7.51	-67.94
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC(=O)[O-])C3=NC=CS3)C=C2)CCO1	REAL300005895609	1	50	0.0	-88.65	402.24	7.38	-81.27
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC(=O)[O-])C3=NC=CS3)C=C2)CCO1	REAL300005895609	1	50	0.0	-88.65	402.24	7.38	-81.27
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC(=O)[O-])C2=NC=CS2)CC1	REAL300005895655	0	45	0.0	-51.50	351.23	6.67	-44.83
CC1=[NH+]C=C2C=CC(C(=O)NC(CC(=O)[O-])C3=NC=CS3)=CN21	REAL300005895659	0	37	0.0	-63.61	326.70	6.75	-56.86
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C1	REAL300005895723	0	48	0.0	-64.54	375.93	7.21	-57.33
CC(C)C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C1	REAL300005895723	1	48	0.0	-52.48	375.00	7.90	-44.58
CC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C1	REAL300005895724	0	42	0.0	-57.42	342.60	6.17	-51.25
CC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C1	REAL300005895724	1	42	0.0	-63.84	337.61	5.74	-58.10
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=NC=CS2)O1	REAL300005895730	1	39	0.0	-73.98	339.43	5.21	-68.77
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC(=O)[O-])C2=NC=CS2)C1	REAL300005895735	0	48	0.0	-79.10	366.77	6.84	-72.26
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC(=O)[O-])C2=NC=CS2)C1	REAL300005895735	1	48	0.0	-79.96	358.13	6.39	-73.57
O=C([O-])CC(NC(=O)C12CC(C1)CN2C1CC1)C1=NC=CS1	REAL300005895738	0	41	0.0	-61.17	337.12	6.38	-54.79
O=C([O-])CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=NC=CS1	REAL300005895738	1	41	0.0	-60.55	334.44	6.17	-54.38
O=C([O-])CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=NC=CS1	REAL300005895738	1	41	0.0	-61.17	337.12	6.38	-54.79
CC1=NN(C)C=C1CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005896834	0	56	0.0	-79.81	441.40	10.37	-69.44
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005897472	0	53	0.0	-61.36	416.99	9.30	-52.06
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005897472	1	53	0.0	-58.30	417.40	9.21	-49.09
CC1=NN(C)C=C1CC(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300005898354	0	50	0.0	-75.47	393.39	8.27	-67.20
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+]1C1CC1)C(=O)[O-]	REAL300005898379	0	47	0.0	-60.53	377.76	7.64	-52.89
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+]1C1CC1)C(=O)[O-]	REAL300005898379	1	47	0.0	-69.00	360.26	7.32	-61.68
CC1=NN(C)C=C1CC(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300005898385	1	48	0.0	-66.62	387.90	7.87	-58.75
CC1=NN(C)C=C1CC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300005898386	0	56	0.0	-69.08	443.98	10.30	-58.78
CC1=NN(C)C=C1CC(NC(=O)C1CCCC[N@@H+]1C)C(=O)[O-]	REAL300005898466	0	46	0.0	-63.98	361.78	6.70	-57.28
CC1=NN(C)C=C1CC(NC(=O)C1CCCC[N@H+]1C)C(=O)[O-]	REAL300005898466	1	46	0.0	-63.25	361.96	6.71	-56.54
CC1=NN(C)C=C1CC(NC(=O)C(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300005898467	1	51	0.0	-70.80	385.71	5.27	-65.53
CC1=NN(C)C=C1CC(NC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[O-]	REAL300005898508	0	46	0.0	-64.02	349.38	6.54	-57.48
CC1=NN(C)C=C1CC(NC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[O-]	REAL300005898508	1	46	0.0	-63.78	361.69	6.69	-57.09
CC1=NN(C)C=C1CC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005898565	0	59	0.0	-74.68	454.24	10.77	-63.91
CC1=NN(C)C=C1CC(NC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300005898596	0	46	0.0	-80.63	364.15	6.82	-73.81
CC1=NN(C)C=C1CC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005898656	0	55	0.0	-66.03	411.16	9.02	-57.01
CC1=NN(C)C=C1CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300005898656	1	55	0.0	-69.76	417.95	8.79	-60.97
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005898671	1	53	0.0	-67.34	431.71	9.90	-57.44
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300005898671	1	53	0.0	-58.82	423.96	9.30	-49.52
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300005898728	0	49	0.0	-85.41	408.95	7.84	-77.57
CC1=NN(C)C=C1CC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300005898751	0	56	0.0	-63.08	413.51	9.06	-54.02
CC1=NN(C)C=C1CC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300005898751	1	56	0.0	-61.06	412.11	9.09	-51.97
CC1=NN(C)C=C1CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300005898752	0	57	0.0	-80.50	431.24	7.49	-73.01
CC1=NN(C)C=C1CC(NC(=O)CCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300005898785	1	47	0.0	-71.85	391.48	8.03	-63.82
CC1=NN(C)C=C1CC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300005898786	1	53	0.0	-78.96	418.07	6.69	-72.27
CC[N@H+](CC1=CC=C(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])C=C1)C(C)C	REAL300005898789	0	58	0.0	-82.73	445.30	10.27	-72.46
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])C=C1)C(C)C	REAL300005898789	1	58	0.0	-84.67	436.48	9.95	-74.72
CC1=NN(C)C=C1CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005898838	0	53	0.0	-72.00	423.70	9.51	-62.49
CC1=NN(C)C=C1CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005898838	1	53	0.0	-70.34	423.13	9.60	-60.74
CC1=NN(C)C=C1CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300005898839	0	54	0.0	-84.38	423.58	8.99	-75.39
CC1=NN(C)C=C1CC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300005898865	1	58	0.0	-67.39	452.96	8.07	-59.32
CC1=NN(C)C=C1CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300005898866	0	57	0.0	-67.84	409.73	7.21	-60.63
CCC(C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-])[NH+](CC)CC	REAL300005898870	0	51	0.0	-57.55	386.07	7.46	-50.09
CC1=NN(C)C=C1CC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005898872	0	52	0.0	-62.96	414.47	9.15	-53.81
CC1=NN(C)C=C1CC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005898872	1	52	0.0	-60.93	413.83	9.19	-51.74
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005898884	0	59	0.0	-75.14	463.87	11.19	-63.95
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005898884	1	59	0.0	-76.02	464.13	11.19	-64.83
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300005898906	0	48	0.0	-78.51	382.43	7.25	-71.26
CCC[NH+](CCC)CCCC(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005898915	0	57	0.0	-72.74	437.65	9.08	-63.66
CC[N@H+](C)C(C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-])C1=CC=CC=C1	REAL300005898916	0	52	0.0	-59.68	404.21	8.95	-50.73
CC[N@@H+](C)C(C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-])C1=CC=CC=C1	REAL300005898916	1	52	0.0	-60.21	411.99	9.34	-50.87
CC1=NN(C)C=C1CC(NC(=O)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300005898918	1	44	0.0	-59.15	350.74	5.44	-53.71
CC1=NN(C)C=C1CC(NC(=O)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300005898918	1	44	0.0	-75.28	350.76	5.43	-69.85
CC[NH+](CC)C(C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-])C1=CC=CC=C1	REAL300005898921	0	55	0.0	-65.12	418.96	9.66	-55.46
CC1=NN(C)C=C1CC(NC(=O)CN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300005898930	1	47	0.0	-60.13	385.20	7.93	-52.20
CC1=NN(C)C=C1CC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300005898935	1	49	0.0	-58.27	411.01	9.20	-49.07
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300005898948	0	53	0.0	-86.10	422.50	9.84	-76.26
CC1=NN(C)C=C1CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300005898956	0	56	0.0	-77.97	439.97	10.48	-67.49
CC1=NN(C)C=C1CC(NC(=O)C1(C[NH+](C)C)CC1)C(=O)[O-]	REAL300005898961	0	46	0.0	-63.05	372.29	6.89	-56.16
CC1=NN(C)C=C1CC(NC(=O)CCCC[NH+](C)C)C(=O)[O-]	REAL300005898970	0	48	0.0	-78.03	385.17	7.24	-70.79
CC1=NN(C)C=C1CC(NC(=O)C(C(C)C)[NH+](C)C)C(=O)[O-]	REAL300005898979	0	48	0.0	-58.79	365.59	6.63	-52.16
CC1=NN(C)C=C1CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005898992	0	56	0.0	-64.09	439.09	10.28	-53.81
CC1=NN(C)C=C1CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300005898992	1	56	0.0	-58.76	427.24	9.89	-48.87
CC1=NN(C)C=C1CC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005898994	1	47	0.0	-84.26	396.27	7.03	-77.23
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300005899002	0	56	0.0	-87.14	439.96	10.49	-76.65
CC1=NN(C)C=C1CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300005899016	1	49	0.0	-78.09	396.47	7.65	-70.44
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005899017	0	52	0.0	-89.58	420.18	9.54	-80.04
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005899028	1	45	0.0	-59.12	358.61	6.36	-52.76
CC1=NN(C)C=C1CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005899030	1	54	0.0	-73.94	433.64	9.21	-64.73
CC1=NN(C)C=C1CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300005899030	1	54	0.0	-84.54	433.92	9.21	-75.33
CC1=NN(C)C=C1CC(NC(=O)C[N@H+](C)C1CCC1)C(=O)[O-]	REAL300005899061	0	46	0.0	-60.69	365.80	7.16	-53.53
CC1=NN(C)C=C1CC(NC(=O)C[N@@H+](C)C1CCC1)C(=O)[O-]	REAL300005899061	1	46	0.0	-61.02	365.66	7.15	-53.87
CC1=NN(C)C=C1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300005899089	0	51	0.0	-61.57	389.50	7.75	-53.82
CC1=NN(C)C=C1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300005899089	1	51	0.0	-62.84	388.21	7.53	-55.31
CC1=NN(C)C=C1CC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005899091	0	52	0.0	-65.51	419.39	9.58	-55.93
CC1=NN(C)C=C1CC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300005899091	1	52	0.0	-66.37	418.94	9.55	-56.82
COCCOCC[N@H+](C)CCC(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005899092	0	56	0.0	-70.88	447.86	5.72	-65.16
COCCOCC[N@@H+](C)CCC(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005899092	1	56	0.0	-67.67	441.17	5.99	-61.68
CCCCCC[N@H+](C)CC(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005899118	0	54	0.0	-64.85	423.53	8.87	-55.98
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005899118	1	54	0.0	-62.79	423.27	8.96	-53.83
CC1=NN(C)C=C1CC(NC(=O)C12CCC[NH+]1CCC2)C(=O)[O-]	REAL300005899128	0	47	0.0	-55.03	356.81	7.02	-48.01
CC1=NN(C)C=C1CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300005899136	1	41	0.0	-82.45	350.69	8.64	-73.81
CC1=NN(C)C=C1CC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300005899151	0	47	0.0	-66.84	378.90	7.39	-59.45
CC1=NN(C)C=C1CC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300005899151	1	47	0.0	-66.26	378.91	7.41	-58.85
CC1=NN(C)C=C1CC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300005899166	0	57	0.0	-76.22	434.91	6.34	-69.88
CC1=NN(C)C=C1CC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300005899166	1	57	0.0	-69.66	431.92	6.10	-63.56
CC1=NN(C)C=C1CC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300005899167	0	60	0.0	-73.66	456.41	7.14	-66.52
CC1=NN(C)C=C1CC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300005899167	1	60	0.0	-73.19	453.42	6.90	-66.29
CC1=NN(C)C=C1CC(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300005899168	0	50	0.0	-57.38	384.77	7.97	-49.41
CC1=NN(C)C=C1CC(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300005899168	1	50	0.0	-62.00	375.54	7.69	-54.31
CC1=NN(C)C=C1CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300005899170	0	49	0.0	-84.54	403.87	6.67	-77.87
CC1=NN(C)C=C1CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005899178	0	58	0.0	-73.22	452.36	8.50	-64.72
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005899179	0	55	0.0	-70.94	429.22	8.80	-62.14
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300005899179	1	55	0.0	-71.15	429.31	8.80	-62.35
CC1=NN(C)C=C1CC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005899184	1	53	0.0	-62.52	414.17	9.34	-53.18
CC1=NN(C)C=C1CC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300005899184	1	53	0.0	-63.52	414.70	9.66	-53.86
CCCC(C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-])[NH+](C)C	REAL300005899205	0	48	0.0	-64.94	371.83	6.87	-58.07
CC1=NN(C)C=C1CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005899206	0	56	0.0	-78.69	445.54	10.37	-68.32
CC1=NN(C)C=C1CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005899206	1	56	0.0	-78.12	445.97	10.38	-67.74
CC1=NN(C)C=C1CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005899221	0	49	0.0	-94.37	404.94	6.71	-87.66
CC1=NN(C)C=C1CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300005899222	0	49	0.0	-45.55	371.97	6.37	-39.18
CC1=NN(C)C=C1CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[O-]	REAL300005899228	0	46	0.0	-68.84	353.19	6.17	-62.67
CC1=NN(C)C=C1CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[O-]	REAL300005899228	1	46	0.0	-77.10	362.59	6.37	-70.73
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005899230	1	50	0.0	-64.73	405.49	8.41	-56.32
CC[C@@H]1[C@@H](C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])CC[N@@H+]1C	REAL300005899233	0	49	0.0	-72.49	377.69	6.81	-65.68
CC[C@@H]1[C@@H](C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])CC[N@H+]1C	REAL300005899233	1	49	0.0	-71.85	380.68	7.31	-64.54
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005899237	1	45	0.0	-62.12	365.56	6.90	-55.22
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005899237	1	45	0.0	-61.49	373.03	7.39	-54.10
CC1=NN(C)C=C1CC(NC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)[O-]	REAL300005899245	1	47	0.0	-78.11	372.27	6.30	-71.81
CC1=NN(C)C=C1CC(NC(=O)C1C[N@H+](C)CC(C)O1)C(=O)[O-]	REAL300005899245	1	47	0.0	-86.62	370.85	5.93	-80.69
CC1=NN(C)C=C1CC(NC(=O)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300005899255	1	41	0.0	-61.30	349.68	6.74	-54.56
CC1=NN(C)C=C1CC(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300005899257	0	50	0.0	-69.47	392.12	5.63	-63.84
CC1=NN(C)C=C1CC(NC(=O)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300005899272	0	49	0.0	-58.94	375.71	7.94	-51.00
CC[N@@H+]1CCOC(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])C1	REAL300005899285	1	47	0.0	-84.41	375.69	6.24	-78.17
CC[N@H+]1CCOC(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])C1	REAL300005899285	1	47	0.0	-76.04	375.43	6.31	-69.73
CC1=NN(C)C=C1CC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300005899323	1	56	0.0	-79.00	442.04	8.70	-70.30
CC1=NN(C)C=C1CC(NC(=O)CCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300005899330	0	49	0.0	-73.02	381.32	7.10	-65.92
CC1=NN(C)C=C1CC(NC(=O)CCC1CCC[N@H+]1C)C(=O)[O-]	REAL300005899330	1	49	0.0	-72.71	383.77	7.52	-65.19
CC1=NN(C)C=C1CC(NC(=O)C12CCC[NH+](CCC1)C2)C(=O)[O-]	REAL300005899343	0	50	0.0	-70.94	373.96	7.05	-63.89
CC1=NN(C)C=C1CC(NC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)[O-]	REAL300005899345	1	47	0.0	-59.49	356.66	3.16	-56.33
CC1=NN(C)C=C1CC(NC(=O)C1(C)CC(O)C[N@H+]1C)C(=O)[O-]	REAL300005899345	1	47	0.0	-72.80	363.51	3.21	-69.59
CC1=NN(C)C=C1CC(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300005899346	0	50	0.0	-60.00	380.40	7.64	-52.36
CC1=NN(C)C=C1CC(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300005899346	1	50	0.0	-63.75	380.51	7.58	-56.17
CC1=NN(C)C=C1CC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300005899353	0	53	0.0	-68.57	400.61	6.20	-62.37
CC1=NN(C)C=C1CC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005899358	0	56	0.0	-81.68	436.63	7.57	-74.11
CC1=NN(C)C=C1CC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300005899358	1	56	0.0	-87.85	443.76	8.02	-79.83
CC1=NN(C)C=C1CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300005899362	0	58	0.0	-74.12	445.23	8.18	-65.94
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300005899363	0	58	0.0	-84.52	456.14	7.86	-76.66
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300005899363	1	58	0.0	-87.22	455.77	8.00	-79.22
CC1=NN(C)C=C1CC(NC(=O)C[NH+]1C(C)CCC1C)C(=O)[O-]	REAL300005899504	0	49	0.0	-60.17	377.40	7.22	-52.95
CC1=NN(C)C=C1CC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300005899505	0	49	0.0	-76.79	386.85	8.68	-68.11
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005899506	0	56	0.0	-64.42	434.40	10.58	-53.84
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005899506	1	56	0.0	-64.43	435.08	10.54	-53.89
C#CC[NH+]1CCC(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])CC1	REAL300005899576	0	48	0.0	-78.26	390.00	8.01	-70.25
CCC[N@@H+]1CCCCC1C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005899578	0	52	0.0	-60.48	389.87	7.72	-52.76
CCC[N@H+]1CCCCC1C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005899578	1	52	0.0	-61.21	392.05	8.00	-53.21
CC1=NN(C)C=C1CC(NC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300005899579	0	49	0.0	-57.74	390.65	8.83	-48.91
CC1=NN(C)C=C1CC(NC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300005899582	0	55	0.0	-63.27	406.38	9.20	-54.07
CC1=NN(C)C=C1CC(NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300005899583	1	49	0.0	-63.22	394.28	8.66	-54.56
CC1=NN(C)C=C1CC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005899587	0	54	0.0	-66.59	433.62	6.68	-59.91
CC1=NN(C)C=C1CC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300005899587	1	54	0.0	-68.90	433.53	6.69	-62.21
CC1=NN(C)C=C1CC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300005899593	1	50	0.0	-61.72	398.40	8.51	-53.21
CC1=NN(C)C=C1CC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300005899594	0	52	0.0	-61.15	419.74	8.95	-52.20
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300005899599	0	53	0.0	-66.54	395.08	8.29	-58.25
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300005899599	1	53	0.0	-60.04	395.40	8.55	-51.49
CC[N@H+](CC(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-])C1CC1	REAL300005899601	0	46	0.0	-56.21	362.18	7.42	-48.79
CC[N@@H+](CC(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-])C1CC1	REAL300005899601	1	46	0.0	-58.86	363.79	6.88	-51.98
CC1=NN(C)C=C1CC(NC(=O)C(C)[NH+]1CCCCCC1)C(=O)[O-]	REAL300005899630	0	52	0.0	-61.36	390.56	7.56	-53.80
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005899671	1	54	0.0	-85.89	433.20	9.07	-76.82
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300005899671	1	54	0.0	-85.97	433.23	9.13	-76.84
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])O1	REAL300005899722	0	52	0.0	-83.42	420.84	8.30	-75.12
CC1=NN(C)C=C1CC(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300005899723	0	52	0.0	-75.51	411.58	8.45	-67.06
CC1=NN(C)C=C1CC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300005899725	1	55	0.0	-76.84	434.54	8.21	-68.63
CC1=NN(C)C=C1CC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005899726	1	49	0.0	-65.21	396.20	8.80	-56.41
CC1=NN(C)C=C1CC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300005899726	1	49	0.0	-65.12	396.20	8.80	-56.32
CC1=NN(C)C=C1CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300005899754	1	44	0.0	-79.29	368.24	6.72	-72.57
CC1=NN(C)C=C1CC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300005899783	1	45	0.0	-79.54	370.06	6.44	-73.10
CC1=NN(C)C=C1CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005899787	0	56	0.0	-73.57	438.71	10.02	-63.55
CC1=NN(C)C=C1CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300005899787	1	56	0.0	-73.64	439.09	10.01	-63.63
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+]1C(C)C)C(=O)[O-]	REAL300005899803	0	49	0.0	-65.62	369.44	7.14	-58.48
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+]1C(C)C)C(=O)[O-]	REAL300005899803	1	49	0.0	-65.62	370.36	7.23	-58.39
CC1=NN(C)C=C1CC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300005899829	0	50	0.0	-83.00	400.22	7.28	-75.72
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300005899834	0	53	0.0	-84.00	425.35	8.80	-75.20
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])C1	REAL300005900025	0	52	0.0	-70.57	404.00	8.21	-62.36
CCC[N@H+]1CCCC(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])C1	REAL300005900025	1	52	0.0	-70.28	403.99	8.15	-62.13
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+]1CC(C)C)C(=O)[O-]	REAL300005900057	0	52	0.0	-61.43	404.83	8.37	-53.06
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+]1CC(C)C)C(=O)[O-]	REAL300005900057	1	52	0.0	-61.12	392.22	7.47	-53.65
CC1=NN(C)C=C1CC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300005900058	1	50	0.0	-60.30	386.79	4.56	-55.74
CC1=NN(C)C=C1CC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005900162	0	57	0.0	-81.66	449.17	10.62	-71.04
CC1=NN(C)C=C1CC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300005900162	1	57	0.0	-74.73	441.41	10.57	-64.16
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300005900286	0	52	0.0	-57.18	391.10	8.16	-49.02
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300005900286	1	52	0.0	-60.65	392.18	8.19	-52.46
CC1=NN(C)C=C1CC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005900287	0	46	0.0	-78.65	377.65	6.70	-71.95
CC1=NN(C)C=C1CC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300005900287	1	46	0.0	-72.97	370.62	6.46	-66.51
CC1=NN(C)C=C1CC(NC(=O)CCC1=[NH+]C(C)=C(C)N1)C(=O)[O-]	REAL300005900312	1	47	0.0	-65.40	390.49	6.48	-58.92
CC1=NN(C)C=C1CC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300005900801	0	52	0.0	-79.59	409.35	9.52	-70.07
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300005900807	0	53	0.0	-87.04	427.48	8.49	-78.55
CC1=NN(C)C=C1CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300005900903	0	59	0.0	-70.43	459.96	11.07	-59.36
CC1=NN(C)C=C1CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300005900948	0	46	0.0	-70.37	369.95	6.93	-63.44
CC1=NN(C)C=C1CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300005900952	0	52	0.0	-59.76	391.13	7.84	-51.92
CC1=NN(C)C=C1CC(NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C(=O)[O-]	REAL300005900956	0	44	0.0	-70.16	371.13	8.49	-61.67
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300005901020	0	55	0.0	-68.44	421.22	8.84	-59.60
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300005901020	1	55	0.0	-59.93	414.48	9.10	-50.83
CC[N@@H+]1CCCC(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])C1	REAL300005901021	0	49	0.0	-68.56	382.48	7.42	-61.14
CC[N@H+]1CCCC(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])C1	REAL300005901021	1	49	0.0	-68.99	381.77	7.47	-61.52
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300005901025	0	46	0.0	-71.55	365.10	6.74	-64.81
CC1=NN(C)C=C1CC(NC(=O)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005901025	1	46	0.0	-72.75	364.85	6.82	-65.93
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300005901027	1	46	0.0	-83.05	384.57	6.93	-76.12
CC1=NN(C)C=C1CC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300005901033	0	55	0.0	-80.66	402.59	7.83	-72.83
CC1=NN(C)C=C1CC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300005901033	1	55	0.0	-79.70	409.99	8.25	-71.45
CC1=NN(C)C=C1CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300005901036	1	48	0.0	-56.62	367.88	7.52	-49.10
CC1=NN(C)C=C1CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300005901036	1	48	0.0	-71.83	372.46	7.88	-63.95
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005902407	0	46	0.0	-67.29	372.92	9.82	-57.47
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005903163	0	43	0.0	-51.63	356.03	9.20	-42.43
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005903163	1	43	0.0	-51.77	350.12	8.67	-43.10
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005904097	0	40	0.0	-63.32	320.97	7.48	-55.84
CC1=[NH+]C=C2CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CN12	REAL300005904127	1	38	0.0	-55.41	320.46	7.39	-48.02
O=C([O-])C(CC(F)(F)F)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005904128	0	46	0.0	-57.68	376.10	9.73	-47.95
CC1=NC(C[NH+]2CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)=CS1	REAL300005904202	1	45	0.0	-67.16	380.65	7.63	-59.53
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005904203	1	41	0.0	-62.02	323.30	4.39	-57.63
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300005904289	0	49	0.0	-71.77	406.19	9.38	-62.39
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300005904301	0	49	0.0	-72.80	406.38	11.69	-61.11
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300005904301	1	49	0.0	-71.62	406.98	11.73	-59.89
CC1(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300005904303	0	49	0.0	-49.59	384.01	10.22	-39.37
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005904362	0	31	0.0	-64.08	282.52	8.08	-56.00
C[NH+](C)CC1(C(=O)NC(CC(F)(F)F)C(=O)[O-])CCCCC1	REAL300005904392	0	45	0.0	-66.13	337.50	7.68	-58.45
C[N@H+](CCC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300005904396	0	45	0.0	-60.03	350.77	8.14	-51.89
C[N@@H+](CCC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300005904396	1	45	0.0	-59.55	350.77	8.17	-51.38
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005904419	1	46	0.0	-50.83	377.38	9.80	-41.03
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005904419	1	46	0.0	-55.92	377.40	9.77	-46.15
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005904420	1	43	0.0	-49.19	356.60	8.76	-40.43
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005904420	1	43	0.0	-58.87	364.10	9.33	-49.54
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005904476	0	39	0.0	-72.96	341.51	7.22	-65.74
C[NH+](C)CCN1N=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1C1=CC=CC=C1	REAL300005904481	0	49	0.0	-75.06	405.38	9.39	-65.67
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005904505	0	46	0.0	-50.97	345.01	8.51	-42.46
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005904505	1	46	0.0	-48.57	349.69	8.46	-40.11
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005904506	0	47	0.0	-70.19	363.83	6.91	-63.28
CC1=[NH+]C=CN1CCCC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904538	1	37	0.0	-60.20	323.08	7.54	-52.66
O=C([O-])C(CC(F)(F)F)NC(=O)CCCC[NH+]1CCOCC1	REAL300005904539	1	43	0.0	-67.17	349.79	6.21	-60.96
CC[N@H+](CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1)C(C)C	REAL300005904541	0	48	0.0	-71.01	378.21	9.72	-61.29
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1)C(C)C	REAL300005904541	1	48	0.0	-71.05	369.02	9.29	-61.76
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005904565	0	43	0.0	-60.69	355.92	8.96	-51.73
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005904565	1	43	0.0	-59.70	355.51	8.96	-50.74
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005904566	0	44	0.0	-66.61	351.93	8.28	-58.33
C[NH+]1CCN(C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300005904594	1	48	0.0	-62.45	385.53	7.94	-54.51
O=C([O-])C(CC(F)(F)F)NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005904595	0	47	0.0	-61.23	349.67	6.46	-54.77
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005904600	0	42	0.0	-51.67	347.11	8.61	-43.06
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005904600	1	42	0.0	-52.45	347.14	8.56	-43.89
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005904611	0	49	0.0	-50.82	388.85	10.88	-39.94
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005904611	1	49	0.0	-64.57	396.02	10.62	-53.95
C[NH+](C)CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300005904639	0	38	0.0	-72.43	326.29	6.59	-65.84
CCC[NH+](CCC)CCCC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904650	0	47	0.0	-62.07	369.62	8.54	-53.53
O=C([O-])C(CC(F)(F)F)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005904651	1	47	0.0	-51.92	379.43	6.55	-45.37
CC[N@H+](C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300005904652	0	42	0.0	-47.31	334.32	8.36	-38.95
CC[N@@H+](C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300005904652	1	42	0.0	-47.48	344.87	8.71	-38.77
CC[NH+](CC)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300005904657	0	45	0.0	-53.46	348.86	8.91	-44.55
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904663	1	37	0.0	-50.49	317.17	7.36	-43.13
C[NH+](C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005904665	1	39	0.0	-54.62	343.51	8.65	-45.97
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005904679	0	43	0.0	-74.61	354.44	9.14	-65.47
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005904686	0	46	0.0	-67.75	372.07	9.90	-57.85
CCN1CCC([NH+]2CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)CC1	REAL300005904693	0	54	0.0	-64.32	407.22	7.50	-56.82
CC1C[NH+](CC2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CC(C)O1	REAL300005904700	1	50	0.0	-77.84	404.52	8.99	-68.85
O=C([O-])C(CC(F)(F)F)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005904711	1	47	0.0	-72.42	379.90	9.04	-63.38
O=C([O-])C(CC(F)(F)F)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005904711	1	47	0.0	-71.31	386.45	9.16	-62.15
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005904727	0	46	0.0	-51.38	358.19	9.53	-41.85
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005904727	1	46	0.0	-49.52	361.58	9.55	-39.97
CC1=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005904729	1	37	0.0	-73.78	328.11	6.45	-67.33
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005904737	0	46	0.0	-75.32	371.76	9.86	-65.46
O=C([O-])C(CC(F)(F)F)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005904749	1	39	0.0	-71.56	335.52	6.73	-64.83
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300005904750	0	42	0.0	-79.52	353.00	8.90	-70.62
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904761	1	35	0.0	-51.65	300.81	5.70	-45.95
O=C([O-])C(CC(F)(F)F)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005904762	1	44	0.0	-53.20	359.32	8.43	-44.77
O=C([O-])C(CC(F)(F)F)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005904762	1	44	0.0	-62.40	366.28	8.65	-53.75
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005904776	0	52	0.0	-51.07	405.22	10.92	-40.15
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904823	0	42	0.0	-54.90	350.66	9.06	-45.84
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904823	1	42	0.0	-56.02	351.49	9.01	-47.01
COCCOCC[N@H+](C)CCC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904824	0	46	0.0	-59.46	380.49	5.18	-54.28
COCCOCC[N@@H+](C)CCC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904824	1	46	0.0	-62.01	380.54	5.19	-56.82
C[N@@H+]1CCCC(O)(CC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300005904828	0	40	0.0	-61.30	319.81	4.99	-56.31
C[N@H+]1CCCC(O)(CC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300005904828	1	40	0.0	-62.12	310.09	4.80	-57.32
O=C([O-])C(CC(F)(F)F)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005904838	0	51	0.0	-66.88	406.66	8.71	-58.17
CCCCCC[N@H+](C)CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904842	0	44	0.0	-53.50	355.84	8.39	-45.11
CCCCCC[N@@H+](C)CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904842	1	44	0.0	-54.26	356.08	8.32	-45.94
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005904854	1	31	0.0	-69.98	281.96	8.14	-61.84
C[N@H+](CC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCSC1	REAL300005904872	0	37	0.0	-56.25	312.84	6.87	-49.38
C[N@@H+](CC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCSC1	REAL300005904872	1	37	0.0	-57.08	310.86	6.84	-50.24
CC(C)[NH+]1CCN(CCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005904887	0	47	0.0	-64.39	367.47	5.81	-58.58
CC(C)N1CC[NH+](CCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005904887	1	47	0.0	-59.30	364.02	5.54	-53.76
CC(C)[NH+]1CCN(CCCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005904888	0	50	0.0	-64.64	389.21	6.55	-58.09
CC(C)N1CC[NH+](CCCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005904888	1	50	0.0	-62.78	385.52	6.33	-56.45
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005904889	0	40	0.0	-53.07	307.87	7.08	-45.99
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC2CCC[N@H+]21	REAL300005904889	1	40	0.0	-51.06	306.09	7.12	-43.94
C[NH+](C)CCN1C=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300005904891	0	39	0.0	-72.67	335.82	6.11	-66.56
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)=C1	REAL300005904898	0	51	0.0	-63.02	406.56	8.57	-54.45
O=C([O-])C(CC(F)(F)F)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005904900	0	48	0.0	-61.71	384.33	7.95	-53.76
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005904903	0	45	0.0	-62.66	368.42	7.99	-54.67
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005904903	1	45	0.0	-61.27	362.11	8.19	-53.08
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005904908	1	43	0.0	-52.87	347.14	9.20	-43.67
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005904908	1	43	0.0	-52.14	346.56	9.17	-42.97
O=C([O-])C(CC(F)(F)F)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005904936	0	46	0.0	-66.67	377.39	9.81	-56.86
O=C([O-])C(CC(F)(F)F)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005904936	1	46	0.0	-66.44	375.31	9.74	-56.70
C[NH+](C)CCN1C=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300005904951	0	39	0.0	-79.16	337.04	6.09	-73.07
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904952	0	39	0.0	-54.79	332.00	6.04	-48.75
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904958	1	40	0.0	-54.62	338.07	7.85	-46.77
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005904974	0	46	0.0	-61.54	373.64	10.02	-51.52
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005904974	1	46	0.0	-61.06	379.88	9.83	-51.23
CC(C[NH+]1CCOCC1)C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005904979	0	40	0.0	-59.92	323.66	5.30	-54.62
O=C([O-])C(CC(F)(F)F)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005904980	0	47	0.0	-61.36	382.05	7.37	-53.99
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005905034	1	46	0.0	-73.03	369.88	8.00	-65.03
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005905035	0	46	0.0	-55.02	357.02	8.53	-46.49
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005905035	1	46	0.0	-60.36	357.68	8.45	-51.91
O=C([O-])C(CC(F)(F)F)NC(=O)C12CCC[NH+](CCC1)C2	REAL300005905054	0	40	0.0	-63.54	309.75	6.78	-56.76
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005905058	0	40	0.0	-49.03	319.62	7.46	-41.57
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC2CCCC[N@H+]21	REAL300005905058	1	40	0.0	-49.56	319.88	7.56	-42.00
CC(C)(C[NH+]1CCOCC1)C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005905066	0	43	0.0	-50.31	331.50	5.68	-44.63
CC(C)[N@@H+]1CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005905071	0	52	0.0	-66.10	402.26	8.31	-57.79
CC(C)[N@H+]1CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005905071	1	52	0.0	-56.16	395.14	7.82	-48.34
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300005905072	0	46	0.0	-68.73	354.47	6.50	-62.23
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300005905072	1	46	0.0	-66.58	352.58	6.54	-60.04
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C2)CC1	REAL300005905077	0	48	0.0	-68.74	388.36	7.53	-61.21
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CC1	REAL300005905078	0	48	0.0	-73.05	388.25	7.30	-65.75
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CC1	REAL300005905078	1	48	0.0	-75.98	388.58	7.37	-68.61
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300005905079	0	49	0.0	-74.06	395.50	9.20	-64.86
CC(C)[NH+]1CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005905086	0	42	0.0	-61.03	327.36	7.26	-53.77
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005905203	0	50	0.0	-78.51	403.74	7.22	-71.29
C[NH+](C)CC1=CC=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300005905207	0	39	0.0	-70.38	330.51	8.07	-62.31
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005905208	0	46	0.0	-58.11	372.65	9.80	-48.31
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005905208	1	46	0.0	-58.21	373.45	9.76	-48.45
C#CC[NH+]1CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005905275	0	38	0.0	-66.49	322.13	7.43	-59.06
CCC[N@@H+]1CCCCC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005905277	0	42	0.0	-51.34	333.39	7.64	-43.70
CCC[N@H+]1CCCCC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005905277	1	42	0.0	-51.94	333.63	7.56	-44.38
C[NH+](C)CC1=CC=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005905279	0	39	0.0	-49.37	322.94	8.37	-41.00
CC[NH+]1CCN(CCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005905281	0	44	0.0	-65.42	349.80	5.06	-60.36
CCN1CC[NH+](CCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005905281	1	44	0.0	-57.91	350.13	5.27	-52.64
CC(C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCCCC1	REAL300005905283	0	45	0.0	-49.51	335.42	8.47	-41.04
C[NH+](C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300005905284	1	39	0.0	-48.48	327.04	8.07	-40.41
O=C([O-])C(CC(F)(F)F)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005905288	0	44	0.0	-55.93	366.23	6.01	-49.92
O=C([O-])C(CC(F)(F)F)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005905288	1	44	0.0	-55.86	364.87	6.10	-49.76
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005905294	1	40	0.0	-54.48	337.80	7.73	-46.75
C[NH+](C)CC1=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])OC2=CC=CC=C21	REAL300005905295	0	42	0.0	-49.88	356.84	8.47	-41.41
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005905300	0	43	0.0	-48.98	323.99	7.81	-41.17
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300005905300	1	43	0.0	-50.13	324.28	8.02	-42.11
CC(C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005905328	1	49	0.0	-47.71	370.39	7.27	-40.44
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCCCCC1	REAL300005905329	0	42	0.0	-49.35	323.45	7.35	-42.00
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=CC=C1N2	REAL300005905364	1	44	0.0	-75.50	364.47	8.56	-66.94
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=CC=C1N2	REAL300005905364	1	44	0.0	-75.83	365.51	8.48	-67.35
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])O1	REAL300005905422	0	42	0.0	-68.02	352.70	7.73	-60.29
O=C([O-])C(CC(F)(F)F)NC(=O)CCCC[NH+]1CCCC1	REAL300005905423	0	42	0.0	-65.00	343.69	7.89	-57.11
CC1=CC=C(N2CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)[NH+]=C1	REAL300005905425	1	45	0.0	-64.07	366.15	7.71	-56.36
C[N@H+](CC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300005905426	1	39	0.0	-56.19	329.01	8.16	-48.03
C[N@@H+](CC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300005905426	1	39	0.0	-55.45	328.77	8.24	-47.21
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CC1	REAL300005905430	0	51	0.0	-75.65	398.53	8.43	-67.22
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005905445	1	34	0.0	-71.53	310.81	6.06	-65.47
C[NH+](C)CC1=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=NO1	REAL300005905474	1	35	0.0	-74.01	311.48	5.60	-68.41
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005905479	0	46	0.0	-63.76	376.83	9.62	-54.14
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005905479	1	46	0.0	-62.01	370.13	9.49	-52.52
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300005905503	0	47	0.0	-76.00	394.60	9.11	-66.89
C[NH+]1CCC(OCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005905520	0	40	0.0	-71.64	332.31	6.65	-64.99
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005905526	0	43	0.0	-69.72	357.44	8.16	-61.56
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC(F)(F)F)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005905567	0	45	0.0	-57.18	366.36	7.74	-49.44
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC(F)(F)F)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005905567	1	45	0.0	-49.24	364.97	7.87	-41.37
CCC[N@@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300005905712	0	42	0.0	-58.43	336.09	7.58	-50.85
CCC[N@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300005905712	1	42	0.0	-50.41	329.85	7.79	-42.62
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005905745	0	42	0.0	-53.95	331.33	7.21	-46.74
CC(C)C[N@H+]1CCCC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005905745	1	42	0.0	-50.14	333.42	7.72	-42.42
O=C([O-])C(CC(F)(F)F)NC(=O)C[NH+]1CCC(CO)CC1	REAL300005905748	1	40	0.0	-52.59	325.31	3.79	-48.80
O=C([O-])C(CC(F)(F)F)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005905843	0	47	0.0	-62.60	381.24	10.02	-52.58
O=C([O-])C(CC(F)(F)F)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005905843	1	47	0.0	-59.07	382.11	10.09	-48.98
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005905882	1	46	0.0	-53.55	377.38	9.79	-43.76
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005905882	1	46	0.0	-53.57	377.40	9.78	-43.79
CC(C)[N@@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300005905970	0	42	0.0	-56.62	331.00	7.43	-49.19
CC(C)[N@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300005905970	1	42	0.0	-57.27	330.41	7.41	-49.86
C[N@@H+]1CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)C1	REAL300005905971	0	36	0.0	-70.84	316.71	6.29	-64.55
C[N@H+]1CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)C1	REAL300005905971	1	36	0.0	-63.23	300.38	6.09	-57.14
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(F)(F)F)C(=O)[O-])N1	REAL300005905996	1	37	0.0	-54.89	322.59	5.86	-49.03
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300005906478	0	42	0.0	-72.79	353.00	8.88	-63.91
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300005906485	0	43	0.0	-75.13	359.46	7.90	-67.23
O=C([O-])C(CC(F)(F)F)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005906575	0	49	0.0	-63.03	392.06	10.50	-52.53
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CCO1	REAL300005906577	1	47	0.0	-77.50	377.64	8.30	-69.20
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CCO1	REAL300005906577	1	47	0.0	-76.59	377.09	8.28	-68.31
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300005906620	0	42	0.0	-61.46	324.65	7.27	-54.19
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300005906686	0	45	0.0	-59.73	353.77	8.27	-51.46
CC(C)C[N@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300005906686	1	45	0.0	-59.73	353.77	8.27	-51.46
CN(C)CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])O1	REAL300005906692	0	36	0.0	-70.97	315.85	6.28	-64.69
C[NH+](C)CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])O1	REAL300005906692	1	36	0.0	-70.97	315.85	6.28	-64.69
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300005906698	0	45	0.0	-69.97	334.71	7.24	-62.73
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300005906698	1	45	0.0	-69.97	334.71	7.24	-62.73
O=C([O-])C(CC(F)(F)F)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005906701	0	38	0.0	-56.90	307.65	6.76	-50.14
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005908014	0	54	0.0	-73.19	409.19	8.84	-64.35
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005908759	0	51	0.0	-59.61	391.82	9.20	-50.41
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005908759	1	51	0.0	-60.35	392.96	8.43	-51.92
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005909683	0	48	0.0	-71.69	364.40	7.08	-64.61
CC1=[NH+]C=C2CCC(C(=O)NC(CC3CCOC3)C(=O)[O-])CN21	REAL300005909716	1	46	0.0	-62.22	358.89	6.76	-55.46
O=C([O-])C(CC1CCOC1)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005909717	0	54	0.0	-60.46	405.37	8.65	-51.81
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3CCOC3)C(=O)[O-])CC2)=CS1	REAL300005909791	1	53	0.0	-70.83	416.23	6.87	-63.96
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005909792	1	49	0.0	-70.55	364.37	3.82	-66.73
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300005909877	0	57	0.0	-78.42	445.38	8.68	-69.74
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C[N@@H+](CCC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCCCC1	REAL300005909984	1	53	0.0	-68.67	388.40	7.55	-61.12
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O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005910091	1	54	0.0	-58.26	383.74	7.90	-50.36
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CC1=[NH+]C=CN1CCCC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910124	1	45	0.0	-66.15	362.04	6.91	-59.24
O=C(CCCC[NH+]1CCOCC1)NC(CC1CCOC1)C(=O)[O-]	REAL300005910125	1	51	0.0	-73.00	389.34	5.59	-67.41
CC[N@H+](CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=C1)C(C)C	REAL300005910127	0	56	0.0	-84.05	408.27	8.78	-75.27
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=C1)C(C)C	REAL300005910127	1	56	0.0	-81.94	407.31	8.74	-73.20
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O=C([O-])C(CC1CCOC1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005910152	0	52	0.0	-79.37	390.37	7.64	-71.73
C[NH+]1CCN(C(C(=O)NC(CC2CCOC2)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300005910180	1	56	0.0	-67.51	420.67	7.72	-59.79
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(CC1CCOC1)C(=O)[O-]	REAL300005910181	0	55	0.0	-70.15	386.97	5.73	-64.42
CCC(C(=O)NC(CC1CCOC1)C(=O)[O-])[NH+](CC)CC	REAL300005910185	0	49	0.0	-53.10	357.58	6.29	-46.81
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005910187	0	50	0.0	-65.03	385.08	7.93	-57.10
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005910187	1	50	0.0	-61.26	385.11	7.90	-53.36
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005910198	0	57	0.0	-55.00	423.03	10.78	-44.22
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005910198	1	57	0.0	-68.61	429.94	10.60	-58.01
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=N1	REAL300005910226	0	46	0.0	-75.21	362.06	5.24	-69.97
CCC[NH+](CCC)CCCC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910237	0	55	0.0	-67.53	409.16	7.92	-59.61
O=C([O-])C(CC1CCOC1)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005910238	1	55	0.0	-54.47	418.60	5.91	-48.56
CC[N@H+](C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300005910239	0	50	0.0	-56.38	373.45	7.76	-48.62
CC[N@@H+](C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300005910239	1	50	0.0	-60.95	382.51	8.09	-52.86
CC[NH+](CC)C(C(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300005910244	0	53	0.0	-53.53	391.66	8.23	-45.30
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910251	1	45	0.0	-59.64	355.67	6.70	-52.94
C[NH+](C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005910253	1	47	0.0	-57.98	381.62	7.91	-50.07
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005910267	0	51	0.0	-83.83	392.95	8.60	-75.23
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005910274	0	54	0.0	-74.90	411.00	9.29	-65.61
CCN1CCC([NH+]2CCC(C(=O)NC(CC3CCOC3)C(=O)[O-])CC2)CC1	REAL300005910281	0	62	0.0	-67.06	440.46	6.56	-60.50
CC1C[NH+](CC2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CC(C)O1	REAL300005910288	1	58	0.0	-86.47	443.02	8.33	-78.14
O=C([O-])C(CC1CCOC1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005910299	1	55	0.0	-77.05	424.45	8.51	-68.54
O=C([O-])C(CC1CCOC1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005910299	1	55	0.0	-77.53	415.59	8.10	-69.43
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005910315	0	54	0.0	-58.70	409.97	9.19	-49.51
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005910315	1	54	0.0	-51.57	394.70	8.59	-42.98
CC1=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005910317	1	45	0.0	-76.65	361.51	5.53	-71.12
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005910325	0	54	0.0	-83.97	409.39	9.25	-74.72
O=C([O-])C(CC1CCOC1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005910337	1	47	0.0	-78.68	373.40	6.04	-72.64
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300005910338	0	50	0.0	-87.38	390.63	8.29	-79.09
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910349	1	43	0.0	-55.22	334.92	4.70	-50.52
O=C([O-])C(CC1CCOC1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005910350	1	52	0.0	-73.45	398.24	7.79	-65.66
O=C([O-])C(CC1CCOC1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005910350	1	52	0.0	-67.13	400.72	8.50	-58.63
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005910364	0	60	0.0	-62.45	448.21	10.42	-52.03
C[N@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])CC(C)(C)C	REAL300005910411	0	49	0.0	-60.98	358.50	6.33	-54.65
C[N@@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])CC(C)(C)C	REAL300005910411	1	49	0.0	-60.61	360.13	6.52	-54.09
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910413	0	50	0.0	-64.51	389.12	8.40	-56.11
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910413	1	50	0.0	-63.47	389.68	8.44	-55.03
COCCOCC[N@H+](C)CCC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910414	0	54	0.0	-64.29	414.70	5.12	-59.17
COCCOCC[N@@H+](C)CCC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910414	1	54	0.0	-71.14	418.41	4.52	-66.62
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005910418	0	48	0.0	-66.30	350.79	4.12	-62.18
C[N@H+]1CCCC(O)(CC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005910418	1	48	0.0	-70.39	348.17	4.15	-66.24
O=C([O-])C(CC1CCOC1)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005910428	0	59	0.0	-75.32	444.02	7.99	-67.33
CCCCCC[N@H+](C)CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910432	0	52	0.0	-62.70	393.72	7.71	-54.99
CCCCCC[N@@H+](C)CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910432	1	52	0.0	-62.71	395.01	7.72	-54.99
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005910444	1	39	0.0	-78.79	320.67	7.42	-71.37
C[N@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCSC1	REAL300005910462	0	45	0.0	-60.83	347.60	5.86	-54.97
C[N@@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCSC1	REAL300005910462	1	45	0.0	-63.55	349.26	6.21	-57.34
CC(C)[NH+]1CCN(CCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005910478	0	55	0.0	-66.20	400.97	4.80	-61.40
CC(C)N1CC[NH+](CCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005910478	1	55	0.0	-62.19	397.29	4.60	-57.59
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005910479	0	58	0.0	-71.09	427.40	5.98	-65.11
CC(C)N1CC[NH+](CCCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005910479	1	58	0.0	-71.73	423.39	5.65	-66.08
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005910480	0	48	0.0	-54.05	354.89	6.83	-47.22
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300005910480	1	48	0.0	-51.40	348.56	7.21	-44.19
C[NH+](C)CCN1C=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=N1	REAL300005910482	0	47	0.0	-79.21	375.39	5.50	-73.71
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC3CCOC3)C(=O)[O-])CC2)=C1	REAL300005910489	0	59	0.0	-68.90	445.52	7.94	-60.96
O=C([O-])C(CC1CCOC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005910491	0	56	0.0	-67.76	420.90	6.96	-60.80
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005910494	0	53	0.0	-64.17	395.41	8.15	-56.02
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005910494	1	53	0.0	-64.88	388.80	7.93	-56.95
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005910499	1	51	0.0	-58.04	381.78	9.02	-49.02
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005910499	1	51	0.0	-56.14	380.53	8.14	-48.00
O=C([O-])C(CC1CCOC1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005910527	0	54	0.0	-74.77	415.04	9.19	-65.58
O=C([O-])C(CC1CCOC1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005910527	1	54	0.0	-72.05	413.58	8.86	-63.19
C[NH+](C)CCN1C=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300005910542	0	47	0.0	-83.61	372.79	5.11	-78.50
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910543	0	47	0.0	-57.20	366.24	6.15	-51.05
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910549	1	48	0.0	-62.11	376.50	7.21	-54.90
CC1C[N@H+](C)CC(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300005910560	1	45	0.0	-68.36	339.56	5.76	-62.60
CC1C[N@@H+](C)CC(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300005910560	1	45	0.0	-79.67	341.82	4.74	-74.93
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005910566	0	54	0.0	-66.81	411.45	9.64	-57.17
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005910566	1	54	0.0	-60.44	400.51	9.69	-50.75
CC(C[NH+]1CCOCC1)C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910572	0	48	0.0	-66.67	362.62	4.67	-62.00
O=C([O-])C(CC1CCOC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005910573	0	55	0.0	-65.26	416.14	6.38	-58.88
CC[N@@H+]1CCOC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005910595	1	45	0.0	-68.21	343.18	4.71	-63.50
CC[N@H+]1CCOC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005910595	1	45	0.0	-52.19	336.04	4.53	-47.66
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005910628	1	54	0.0	-73.42	409.91	7.18	-66.24
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005910629	0	54	0.0	-68.02	395.70	7.82	-60.20
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005910629	1	54	0.0	-69.64	395.75	7.78	-61.86
O=C([O-])C(CC1CCOC1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300005910648	0	48	0.0	-67.11	342.42	6.62	-60.49
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910652	1	45	0.0	-63.57	330.54	2.60	-60.97
C[N@H+]1CC(O)CC1(C)C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910652	1	45	0.0	-72.84	331.52	2.15	-70.69
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005910653	0	48	0.0	-54.30	358.87	6.97	-47.33
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300005910653	1	48	0.0	-57.09	357.76	6.88	-50.21
CC(C)(C[NH+]1CCOCC1)C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910661	0	51	0.0	-64.20	371.88	5.11	-59.09
CC(C)[N@@H+]1CCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005910666	0	60	0.0	-73.70	441.20	7.67	-66.03
CC(C)[N@H+]1CCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005910666	1	60	0.0	-69.07	430.37	7.94	-61.13
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC2CCOC2)C(=O)[O-])C=N1	REAL300005910667	0	54	0.0	-73.86	402.93	6.90	-66.96
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC2CCOC2)C(=O)[O-])C=N1	REAL300005910667	1	54	0.0	-72.71	411.26	7.25	-65.46
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC3CCOC3)C(=O)[O-])=C2)CC1	REAL300005910672	0	56	0.0	-76.65	427.00	6.80	-69.85
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CC1	REAL300005910673	0	56	0.0	-78.68	427.18	6.69	-71.99
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CC1	REAL300005910673	1	56	0.0	-85.15	426.46	6.69	-78.46
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300005910674	0	57	0.0	-83.19	433.37	8.52	-74.67
CC(C)[NH+]1CCC(C(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005910681	0	50	0.0	-65.05	364.52	6.47	-58.58
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300005910800	0	58	0.0	-85.12	441.38	6.61	-78.51
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300005910804	0	47	0.0	-74.54	369.49	7.44	-67.10
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005910805	0	54	0.0	-62.51	405.04	9.56	-52.95
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005910805	1	54	0.0	-60.74	406.07	9.31	-51.43
C#CC[NH+]1CCC(C(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005910873	0	46	0.0	-72.11	357.36	6.43	-65.68
CCC[N@@H+]1CCCCC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910875	0	50	0.0	-57.50	363.31	6.89	-50.61
CCC[N@H+]1CCCCC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910875	1	50	0.0	-56.30	367.58	7.53	-48.77
C[NH+](C)CC1=CC=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910877	0	47	0.0	-48.90	358.95	7.35	-41.55
CC[NH+]1CCN(CCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005910879	0	52	0.0	-70.48	383.06	4.14	-66.34
CCN1CC[NH+](CCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005910879	1	52	0.0	-64.36	389.68	4.65	-59.71
CC(C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCCCC1	REAL300005910881	0	53	0.0	-59.95	376.91	7.66	-52.29
C[NH+](C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300005910882	1	47	0.0	-50.12	360.32	7.11	-43.01
O=C([O-])C(CC1CCOC1)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300005910886	0	52	0.0	-62.13	405.27	5.52	-56.61
O=C([O-])C(CC1CCOC1)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005910886	1	52	0.0	-59.13	398.97	5.07	-54.06
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005910892	1	48	0.0	-62.43	375.40	7.11	-55.32
C[NH+](C)CC1=C(C(=O)NC(CC2CCOC2)C(=O)[O-])OC2=CC=CC=C21	REAL300005910893	0	50	0.0	-61.09	396.59	7.80	-53.29
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300005910898	0	51	0.0	-52.78	357.05	7.57	-45.21
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300005910898	1	51	0.0	-66.07	357.27	6.79	-59.28
CC(C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005910926	1	57	0.0	-53.52	412.61	6.49	-47.03
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCCCCC1	REAL300005910927	0	50	0.0	-57.99	361.32	6.68	-51.31
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCOC3)C(=O)[O-])=CC=C1N2	REAL300005910962	1	52	0.0	-80.33	399.49	8.41	-71.92
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCOC3)C(=O)[O-])=CC=C1N2	REAL300005910962	1	52	0.0	-80.99	404.43	7.83	-73.16
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300005911020	0	50	0.0	-78.11	390.58	7.07	-71.04
O=C(CCCC[NH+]1CCCC1)NC(CC1CCOC1)C(=O)[O-]	REAL300005911021	0	50	0.0	-69.94	379.43	6.94	-63.00
CC1=CC=C(N2CCC(C(=O)NC(CC3CCOC3)C(=O)[O-])CC2)[NH+]=C1	REAL300005911023	1	53	0.0	-69.71	402.12	6.69	-63.02
C[N@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])CC1=CC=CC=C1	REAL300005911024	1	47	0.0	-65.92	366.89	7.48	-58.44
C[N@@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])CC1=CC=CC=C1	REAL300005911024	1	47	0.0	-65.17	367.94	7.55	-57.62
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CC1	REAL300005911028	0	59	0.0	-83.38	436.40	7.77	-75.61
O=C([O-])C(CC1CCOC1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005911043	1	42	0.0	-78.26	350.58	5.39	-72.87
C[NH+](C)CC1=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=NO1	REAL300005911072	1	43	0.0	-77.71	349.58	5.04	-72.67
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005911077	0	54	0.0	-69.84	415.78	9.00	-60.84
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005911077	1	54	0.0	-67.20	405.20	9.37	-57.83
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300005911101	0	55	0.0	-82.16	433.80	8.40	-73.76
C[NH+]1CCC(OCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005911118	0	48	0.0	-77.14	371.03	6.09	-71.05
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005911124	0	51	0.0	-78.96	395.07	7.56	-71.40
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC2CCOC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005911165	0	53	0.0	-71.89	405.08	7.19	-64.70
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC2CCOC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005911165	1	53	0.0	-64.42	398.22	6.80	-57.62
CCC[N@@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005911308	0	50	0.0	-63.21	374.17	7.00	-56.21
CCC[N@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005911308	1	50	0.0	-53.37	363.12	7.75	-45.62
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005911341	0	50	0.0	-56.35	376.13	7.22	-49.13
CC(C)C[N@H+]1CCCC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005911341	1	50	0.0	-59.70	374.26	7.05	-52.65
O=C([O-])C(CC1CCOC1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300005911342	1	48	0.0	-64.65	363.94	3.15	-61.50
O=C([O-])C(CC1CCOC1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005911439	0	55	0.0	-79.82	419.20	9.47	-70.35
O=C([O-])C(CC1CCOC1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005911439	1	55	0.0	-75.83	416.71	9.04	-66.79
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005911477	1	54	0.0	-61.10	403.48	8.94	-52.16
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005911477	1	54	0.0	-54.27	406.05	9.02	-45.25
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005911565	0	50	0.0	-62.20	365.19	7.33	-54.87
CC(C)[N@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005911565	1	50	0.0	-56.84	363.09	6.98	-49.86
C[N@@H+]1CC(C(=O)NC(CC2CCOC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005911566	0	44	0.0	-73.31	342.67	6.20	-67.11
C[N@H+]1CC(C(=O)NC(CC2CCOC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300005911566	1	44	0.0	-67.97	354.18	5.61	-62.36
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2CCOC2)C(=O)[O-])N1	REAL300005911592	1	45	0.0	-60.23	361.31	5.29	-54.94
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300005912071	0	50	0.0	-75.45	387.42	8.77	-66.68
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300005912078	0	51	0.0	-84.64	398.17	7.19	-77.45
O=C([O-])C(CC1CCOC1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005912167	0	57	0.0	-66.90	430.26	9.95	-56.95
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CCO1	REAL300005912169	1	55	0.0	-83.43	416.79	7.60	-75.83
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CCO1	REAL300005912169	1	55	0.0	-86.52	415.74	7.55	-78.97
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300005912214	0	50	0.0	-67.74	362.74	6.69	-61.05
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005912281	0	53	0.0	-64.73	392.44	7.62	-57.11
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005912281	1	53	0.0	-64.73	392.44	7.62	-57.11
CN(C)CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300005912287	0	44	0.0	-80.98	353.48	5.68	-75.30
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300005912287	1	44	0.0	-80.98	353.48	5.68	-75.30
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005912293	0	53	0.0	-76.25	372.54	6.65	-69.60
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300005912293	1	53	0.0	-76.25	372.54	6.65	-69.60
O=C([O-])C(CC1CCOC1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005912296	0	46	0.0	-66.95	340.77	6.70	-60.25
CC(F)(F)C1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300005912377	0	46	0.0	-50.70	369.92	8.95	-41.75
CCN1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912436	0	52	0.0	-79.91	396.56	9.65	-70.26
CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912436	1	52	0.0	-81.12	405.49	10.41	-70.71
CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912436	1	52	0.0	-81.12	405.49	10.41	-70.71
CCN1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912448	0	52	0.0	-79.91	396.56	9.65	-70.26
CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912448	1	52	0.0	-81.12	405.49	10.41	-70.71
CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912448	1	52	0.0	-81.12	405.49	10.41	-70.71
CCN1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912449	0	46	0.0	-83.52	374.27	8.83	-74.69
CC[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912449	1	46	0.0	-83.69	383.01	9.58	-74.11
CC[N@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912449	1	46	0.0	-83.69	383.01	9.58	-74.11
CCN1CC[C@@H](NC(=O)CC(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912450	0	49	0.0	-80.98	388.32	9.22	-71.76
CC[N@@H+]1CC[C@@H](NC(=O)CC(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912450	1	49	0.0	-82.58	395.65	10.04	-72.54
CC[N@H+]1CC[C@@H](NC(=O)CC(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912450	1	49	0.0	-82.58	395.65	10.04	-72.54
CCN1CC[C@@H](NC(=O)CCSCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912456	0	47	0.0	-78.95	397.21	9.42	-69.53
CC[N@@H+]1CC[C@@H](NC(=O)CCSCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912456	1	47	0.0	-79.88	406.10	10.18	-69.70
CC[N@H+]1CC[C@@H](NC(=O)CCSCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912456	1	47	0.0	-79.88	406.10	10.18	-69.70
CCC(C(=O)[O-])C(=O)N[C@@H]1CCN(CC)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912469	0	46	0.0	-57.30	381.08	9.43	-47.87
CCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912469	1	46	0.0	-53.64	367.00	8.72	-44.92
CCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912469	1	46	0.0	-53.64	367.00	8.72	-44.92
CCN1CC[C@@H](NC(=O)C(C(=O)[O-])C(C)C)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912470	0	49	0.0	-57.42	388.21	9.20	-48.22
CC[N@@H+]1CC[C@@H](NC(=O)C(C(=O)[O-])C(C)C)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912470	1	49	0.0	-54.27	391.70	10.04	-44.23
CC[N@H+]1CC[C@@H](NC(=O)C(C(=O)[O-])C(C)C)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912470	1	49	0.0	-54.27	391.70	10.04	-44.23
CCCC(C(=O)[O-])C(=O)N[C@@H]1CCN(CC)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912479	0	49	0.0	-60.18	396.34	10.38	-49.80
CCCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912479	1	49	0.0	-57.44	393.68	9.41	-48.03
CCCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912479	1	49	0.0	-57.44	393.68	9.41	-48.03
CCN1CC[C@@H](NC(=O)CC2(CC(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912483	0	50	0.0	-73.89	402.21	9.90	-63.99
CC[N@@H+]1CC[C@@H](NC(=O)CC2(CC(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912483	1	50	0.0	-75.33	406.44	10.70	-64.63
CC[N@H+]1CC[C@@H](NC(=O)CC2(CC(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912483	1	50	0.0	-75.33	406.44	10.70	-64.63
CCN1CC[C@@H](NC(=O)C(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912488	0	43	0.0	-82.56	351.65	8.80	-73.76
CC[N@@H+]1CC[C@@H](NC(=O)C(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912488	1	43	0.0	-79.61	358.93	9.37	-70.24
CC[N@H+]1CC[C@@H](NC(=O)C(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912488	1	43	0.0	-79.61	358.93	9.37	-70.24
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H]1CCN(CC)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912491	0	48	0.0	-59.16	387.63	9.67	-49.49
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912491	1	48	0.0	-61.46	396.53	10.43	-51.03
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300005912491	1	48	0.0	-61.46	396.53	10.43	-51.03
CN1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912502	0	48	0.0	-90.20	392.36	10.24	-79.96
C[N@@H+]1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912502	1	48	0.0	-89.25	401.48	11.01	-78.24
C[N@H+]1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912502	1	48	0.0	-89.25	401.48	11.01	-78.24
CN1CC[C@@H](NC(=O)CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912516	0	47	0.0	-96.00	383.79	9.72	-86.28
C[N@@H+]1CC[C@@H](NC(=O)CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912516	1	47	0.0	-98.62	391.42	10.50	-88.12
C[N@H+]1CC[C@@H](NC(=O)CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912516	1	47	0.0	-98.62	391.42	10.50	-88.12
CN1CC[C@@H](NC(=O)C=CC2=CC(C(=O)[O-])=CO2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912550	0	45	0.0	-86.17	376.84	8.50	-77.67
C[N@@H+]1CC[C@@H](NC(=O)C=CC2=CC(C(=O)[O-])=CO2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912550	1	45	0.0	-87.06	386.52	9.21	-77.85
C[N@H+]1CC[C@@H](NC(=O)C=CC2=CC(C(=O)[O-])=CO2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912550	1	45	0.0	-87.06	386.52	9.21	-77.85
CN1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912553	0	45	0.0	-79.45	378.45	8.84	-70.61
C[N@@H+]1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912553	1	45	0.0	-78.42	387.45	9.63	-68.79
C[N@H+]1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912553	1	45	0.0	-78.42	387.45	9.63	-68.79
CN1CC[C@@H](NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912570	0	52	0.0	-51.22	401.14	7.62	-43.60
CN1CC[C@@H](NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912598	0	48	0.0	-91.16	393.71	10.23	-80.93
C[N@@H+]1CC[C@@H](NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912598	1	48	0.0	-89.28	401.41	11.00	-78.28
C[N@H+]1CC[C@@H](NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912598	1	48	0.0	-89.28	401.41	11.00	-78.28
CN1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912604	0	47	0.0	-91.25	387.38	8.39	-82.86
C[N@@H+]1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912604	1	47	0.0	-90.16	397.22	9.21	-80.95
C[N@H+]1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300005912604	1	47	0.0	-90.16	397.22	9.21	-80.95
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N[C@@H]1CCN(C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005912609	0	50	0.0	-99.73	399.56	10.25	-89.48
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005912609	1	50	0.0	-99.11	408.78	10.92	-88.19
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(F)C(F)=C1	REAL300005912609	1	50	0.0	-99.11	408.78	10.92	-88.19
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC1)O2	REAL300005913802	0	59	0.0	-54.70	425.77	10.66	-44.04
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC1)O2	REAL300005913802	1	59	0.0	-62.30	426.16	10.87	-51.43
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC1)O2	REAL300005914476	0	56	0.0	-65.70	399.59	9.36	-56.34
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC1)O2	REAL300005914500	0	53	0.0	-62.89	381.13	8.49	-54.40
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCC[N@H+]3C3CC3)CC1)O2	REAL300005914500	1	53	0.0	-57.93	377.10	8.69	-49.24
CC1=[NH+]C=C2CCC(C(=O)N3CCC4(CC3)OC3(C)CC4(C(=O)[O-])C3)CN12	REAL300005914506	1	54	0.0	-60.76	396.38	9.16	-51.60
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914576	0	52	0.0	-61.97	370.96	8.17	-53.80
C[N@H+]1CCCCC1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914576	1	52	0.0	-62.85	357.52	7.60	-55.25
CC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300005914577	1	57	0.0	-65.64	404.04	6.45	-59.19
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914612	0	52	0.0	-57.08	369.47	8.15	-48.93
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914612	1	52	0.0	-60.42	358.96	7.65	-52.77
C[NH+]1CCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005914677	0	52	0.0	-73.40	373.34	8.12	-65.28
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC1)O2	REAL300005914707	0	47	0.0	-67.92	358.61	9.74	-58.18
C[NH+](C)CC1(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CCCCC1	REAL300005914736	0	61	0.0	-50.94	402.59	9.20	-41.74
C[N@H+](CCC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1CCCCC1	REAL300005914741	0	61	0.0	-66.74	427.75	10.20	-56.54
C[N@@H+](CCC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1CCCCC1	REAL300005914741	1	61	0.0	-67.56	427.76	10.21	-57.35
C[N@@H+]1CCCC1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914755	0	49	0.0	-59.30	351.19	7.33	-51.97
C[N@H+]1CCCC1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914755	1	49	0.0	-64.89	348.09	7.09	-57.80
C[NH+]1CCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005914806	0	52	0.0	-73.40	373.34	8.12	-65.28
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC1)O2	REAL300005914821	0	62	0.0	-54.73	423.04	10.21	-44.52
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC1)O2	REAL300005914821	1	62	0.0	-55.64	424.33	10.30	-45.34
CC1=[NH+]C=CN1CCCC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914856	1	53	0.0	-63.84	400.35	9.51	-54.33
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)CCCC[NH+]3CCOCC3)CC1)O2	REAL300005914857	1	59	0.0	-72.51	427.61	8.19	-64.32
C[C@@H](C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+](C)C	REAL300005914863	0	48	0.0	-61.53	345.02	6.89	-54.64
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914864	0	49	0.0	-65.11	347.96	7.09	-58.02
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914864	1	49	0.0	-61.78	348.84	7.30	-54.48
C[C@H](C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+](C)C	REAL300005914868	0	48	0.0	-63.54	344.93	6.90	-56.64
C[NH+](C)C1(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005914876	0	49	0.0	-66.87	349.41	6.74	-60.13
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC1)O2	REAL300005914917	0	59	0.0	-67.82	429.05	10.80	-57.02
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC1)O2	REAL300005914917	1	59	0.0	-67.63	430.95	10.87	-56.76
CCC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+](CC)CC	REAL300005914941	0	57	0.0	-54.66	390.44	8.72	-45.94
CC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300005914943	0	58	0.0	-63.85	422.86	10.48	-53.37
CC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005914943	1	58	0.0	-63.35	421.45	10.46	-52.89
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C=N1	REAL300005914964	0	54	0.0	-75.38	403.73	7.93	-67.45
CCC[NH+](CCC)CCCC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914969	0	63	0.0	-69.49	448.68	10.53	-58.96
CC[N@H+](C)C(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005914970	0	58	0.0	-61.17	419.94	10.52	-50.65
CC[N@@H+](C)C(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005914970	1	58	0.0	-61.00	418.46	10.49	-50.51
C[N@@H+]1CCOC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005914971	1	50	0.0	-72.06	355.49	6.61	-65.45
C[N@H+]1CCOC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005914971	1	50	0.0	-73.21	355.62	6.63	-66.58
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005914982	1	53	0.0	-59.41	396.36	9.30	-50.11
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC1)O2	REAL300005914993	0	59	0.0	-77.39	434.08	10.93	-66.46
CCC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[N@@H+]1CCOC(CC)C1	REAL300005915000	1	62	0.0	-62.21	428.70	8.42	-53.79
CCC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[N@H+]1CCOC(CC)C1	REAL300005915000	1	62	0.0	-62.75	427.08	8.55	-54.20
C[NH+](C)CC1(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005915002	0	52	0.0	-54.16	377.93	8.16	-46.00
C[NH+](C)CCCCC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915008	0	54	0.0	-71.25	394.77	8.73	-62.52
CC(C)C(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+](C)C	REAL300005915016	0	54	0.0	-64.09	371.69	7.96	-56.13
CC1=C(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300005915025	1	53	0.0	-76.49	402.84	8.14	-68.35
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC1)O2	REAL300005915039	1	55	0.0	-73.37	409.71	8.95	-64.42
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C=C1	REAL300005915040	0	58	0.0	-82.38	430.34	10.57	-71.81
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915050	1	51	0.0	-58.15	381.64	7.20	-50.95
CCC[N@H+](C)CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915057	0	51	0.0	-63.18	369.83	7.98	-55.20
CCC[N@@H+](C)CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915057	1	51	0.0	-63.49	369.83	7.98	-55.51
C[N@H+](CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1CCC1	REAL300005915078	0	52	0.0	-59.16	375.58	8.53	-50.63
C[N@@H+](CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1CCC1	REAL300005915078	1	52	0.0	-61.69	376.84	8.54	-53.15
CC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300005915098	1	53	0.0	-62.80	388.34	8.54	-54.26
C[N@H+](CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)CC(C)(C)C	REAL300005915100	0	57	0.0	-62.65	398.44	8.97	-53.68
C[N@@H+](CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)CC(C)(C)C	REAL300005915100	1	57	0.0	-63.08	400.38	9.11	-53.97
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915102	0	58	0.0	-66.98	429.73	11.00	-55.98
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915102	1	58	0.0	-66.66	429.74	11.00	-55.66
COCCOCC[N@H+](C)CCC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915103	0	62	0.0	-68.36	458.76	7.22	-61.14
COCCOCC[N@@H+](C)CCC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915103	1	62	0.0	-68.00	458.78	7.24	-60.76
CC[C@@H](C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+](C)C	REAL300005915106	0	51	0.0	-60.99	354.61	7.38	-53.61
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005915108	0	56	0.0	-67.11	396.61	7.04	-60.07
C[N@H+]1CCCC(O)(CC(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005915108	1	56	0.0	-67.77	387.11	6.85	-60.92
CCCCCC[N@H+](C)CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915128	0	60	0.0	-64.40	434.33	10.32	-54.08
CCCCCC[N@@H+](C)CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915128	1	60	0.0	-63.29	433.22	10.32	-52.97
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C34CCC[NH+]3CCC4)CC1)O2	REAL300005915139	0	53	0.0	-66.92	360.39	7.99	-58.93
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC1)O2	REAL300005915147	1	47	0.0	-72.41	365.18	9.95	-62.46
C[N@H+](CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1CCSC1	REAL300005915158	0	53	0.0	-65.48	390.25	8.79	-56.69
C[N@@H+](CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1CCSC1	REAL300005915158	1	53	0.0	-67.85	388.80	8.77	-59.08
CC(C)[NH+]1CCN(CCC(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005915174	0	63	0.0	-67.59	441.99	7.55	-60.04
CC(C)N1CC[NH+](CCC(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005915174	1	63	0.0	-66.58	441.19	7.59	-58.99
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCCC4CCC[N@@H+]43)CC1)O2	REAL300005915175	0	56	0.0	-56.86	394.08	9.29	-47.57
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCCC4CCC[N@H+]43)CC1)O2	REAL300005915175	1	56	0.0	-53.23	394.07	9.25	-43.98
C[NH+](C)CCN1C=C(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C=N1	REAL300005915176	0	55	0.0	-73.80	413.10	7.77	-66.03
CC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005915189	0	59	0.0	-60.58	425.09	10.89	-49.69
CC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005915189	1	59	0.0	-61.84	425.49	10.93	-50.91
CCCC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+](C)C	REAL300005915206	0	54	0.0	-64.01	380.19	8.24	-55.77
C[NH+](C)CCN1C=CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)=N1	REAL300005915220	0	55	0.0	-84.00	410.17	8.32	-75.68
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915221	0	55	0.0	-62.77	406.07	7.72	-55.05
C[C@@H]1[C@H](C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC[N@@H+]1C	REAL300005915224	0	52	0.0	-73.07	365.50	7.70	-65.37
C[C@@H]1[C@H](C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC[N@H+]1C	REAL300005915224	1	52	0.0	-63.71	371.45	7.80	-55.91
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915226	1	56	0.0	-61.34	415.30	9.83	-51.51
CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC[N@@H+]1C	REAL300005915229	0	55	0.0	-69.92	382.92	8.11	-61.81
CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC[N@H+]1C	REAL300005915229	1	55	0.0	-69.36	387.71	8.43	-60.93
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)=NN1	REAL300005915231	1	56	0.0	-72.30	404.71	7.36	-64.94
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)=NN1	REAL300005915231	1	56	0.0	-76.16	405.16	7.36	-68.80
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915232	0	51	0.0	-56.98	374.56	8.31	-48.67
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915232	1	51	0.0	-59.02	377.86	8.66	-50.36
CC1C[N@H+](C)CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)O1	REAL300005915238	1	53	0.0	-77.92	377.39	7.57	-70.35
CC1C[N@@H+](C)CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)O1	REAL300005915238	1	53	0.0	-67.56	377.83	7.56	-60.00
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)CC1)O2	REAL300005915243	1	58	0.0	-52.56	422.35	9.06	-43.50
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)CC1)O2	REAL300005915243	1	58	0.0	-57.13	420.55	8.84	-48.29
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C[NH+]3CCCC3)CC1)O2	REAL300005915245	0	49	0.0	-62.65	354.76	7.67	-54.98
CC1=[NH+]C=CN1CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915247	1	47	0.0	-59.92	360.00	8.16	-51.76
CC(C[NH+]1CCOCC1)C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915249	0	56	0.0	-64.65	402.37	7.22	-57.43
CC1CC[NH+](CC(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005915268	0	55	0.0	-63.12	393.18	9.04	-54.08
CC[N@@H+]1CCOC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005915279	1	53	0.0	-77.11	380.81	7.47	-69.64
CC[N@H+]1CCOC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005915279	1	53	0.0	-75.19	380.10	7.44	-67.75
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)CC1)O2	REAL300005915313	0	62	0.0	-61.32	429.93	10.30	-51.02
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)CC1)O2	REAL300005915313	1	62	0.0	-67.20	431.21	10.29	-56.91
C[N@@H+]1CCCC1CCC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915318	0	55	0.0	-70.41	396.88	9.10	-61.31
C[N@H+]1CCCC1CCC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915318	1	55	0.0	-65.47	393.27	8.94	-56.53
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C34CCC[NH+](CCC3)C4)CC1)O2	REAL300005915330	0	56	0.0	-69.74	378.01	8.24	-61.50
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915332	0	53	0.0	-62.22	370.96	4.14	-58.08
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915332	1	53	0.0	-59.77	365.94	3.66	-56.11
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC1)O2	REAL300005915333	0	56	0.0	-59.71	388.03	8.99	-50.72
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCC4CCCC[N@H+]43)CC1)O2	REAL300005915333	1	56	0.0	-57.82	392.99	9.30	-48.52
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915340	0	59	0.0	-57.29	399.60	7.17	-50.12
CC[NH+](CC)CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915355	0	51	0.0	-60.67	360.99	7.62	-53.05
CC(C)[NH+]1CCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005915357	0	58	0.0	-69.85	405.13	9.08	-60.77
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C34CC[NH+](CC3)C4)CC1)O2	REAL300005915435	0	50	0.0	-70.27	353.64	6.79	-63.48
CCC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+](C)C	REAL300005915438	0	51	0.0	-61.01	355.03	7.36	-53.65
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C34CC[N@H+](C3)CCC4)CC1)O2	REAL300005915446	0	53	0.0	-73.45	359.42	7.28	-66.17
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC1)O2	REAL300005915446	1	53	0.0	-69.37	362.24	7.41	-61.96
CC1CCC(C)[NH+]1CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915490	0	55	0.0	-60.40	376.95	8.18	-52.22
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)=C1	REAL300005915491	0	55	0.0	-72.10	407.44	9.74	-62.36
C[NH+](C)C1(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CCC1	REAL300005915524	0	52	0.0	-55.43	354.03	7.49	-47.94
C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005915547	0	54	0.0	-72.76	399.14	9.28	-63.48
CCC[N@@H+]1CCCCC1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915549	0	58	0.0	-59.07	398.08	9.07	-50.00
CCC[N@H+]1CCCCC1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915549	1	58	0.0	-54.14	407.11	9.40	-44.74
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915550	0	55	0.0	-67.31	405.17	9.81	-57.50
CC[NH+]1CCN(CCC(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005915552	0	60	0.0	-69.07	428.71	7.24	-61.83
CCN1CC[NH+](CCC(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005915552	1	60	0.0	-66.66	427.95	7.27	-59.39
CC(C)[N@H+](C)CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915553	0	51	0.0	-60.36	365.02	7.75	-52.61
CC(C)[N@@H+](C)CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915553	1	51	0.0	-61.35	365.02	7.76	-53.59
CC(C)C(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300005915554	0	61	0.0	-59.24	408.69	10.02	-49.22
C[NH+](C)C(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005915555	1	55	0.0	-54.61	397.52	9.77	-44.84
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915562	1	56	0.0	-61.26	416.06	9.76	-51.50
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC1)O2	REAL300005915568	0	59	0.0	-59.13	397.41	9.96	-49.17
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC1)O2	REAL300005915568	1	59	0.0	-58.38	412.13	9.86	-48.52
CC[N@H+](CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1CC1	REAL300005915570	0	52	0.0	-59.76	378.56	8.60	-51.16
CC[N@@H+](CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)C1CC1	REAL300005915570	1	52	0.0	-58.29	378.66	8.62	-49.67
CC(C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300005915592	0	58	0.0	-59.99	397.90	8.93	-51.06
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915595	0	49	0.0	-60.76	354.74	7.48	-53.28
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915595	1	49	0.0	-58.22	348.17	7.07	-51.15
CC(C)(C)[NH2+]CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915659	0	51	0.0	-61.39	368.36	6.27	-55.12
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)O1	REAL300005915661	0	58	0.0	-73.64	425.06	9.69	-63.95
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)CCCC[NH+]3CCCC3)CC1)O2	REAL300005915662	0	58	0.0	-69.53	420.67	9.91	-59.62
C[N@H+](CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005915664	1	55	0.0	-66.47	407.26	10.15	-56.32
C[N@@H+](CC(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005915664	1	55	0.0	-66.94	407.31	10.15	-56.79
CC(C)[C@@H](C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1)[NH+](C)C	REAL300005915672	0	54	0.0	-64.02	369.66	8.14	-55.88
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC1)O2	REAL300005915690	1	50	0.0	-73.77	388.09	7.72	-66.05
C[NH+](C)CC1=CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)=NO1	REAL300005915709	1	51	0.0	-74.50	384.35	7.80	-66.70
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915722	0	55	0.0	-58.82	384.70	8.48	-50.34
CC(C)[N@H+]1CCCC1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915722	1	55	0.0	-58.61	385.56	8.42	-50.19
C[NH+]1CCC(OCC(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005915741	0	56	0.0	-75.74	409.29	8.72	-67.02
CCC[N@@H+]1CCCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005915890	0	58	0.0	-64.91	404.63	9.67	-55.24
CCC[N@H+]1CCCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005915890	1	58	0.0	-62.83	411.62	9.44	-53.39
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915916	0	58	0.0	-58.41	409.63	9.55	-48.86
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2(CC1)OC1(C)CC2(C(=O)[O-])C1	REAL300005915916	1	58	0.0	-58.96	410.56	9.55	-49.41
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C[NH+]3CCC(CO)CC3)CC1)O2	REAL300005915917	0	56	0.0	-64.19	404.02	5.73	-58.46
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916104	0	58	0.0	-58.14	398.70	9.39	-48.75
CC(C)[N@H+]1CCCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916104	1	58	0.0	-64.33	406.88	9.24	-55.09
C[N@@H+]1CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005916105	0	52	0.0	-68.81	380.00	7.82	-60.99
C[N@H+]1CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300005916105	1	52	0.0	-64.56	388.16	8.06	-56.50
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)N1	REAL300005916128	1	53	0.0	-60.13	399.62	7.89	-52.24
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)=C1	REAL300005916530	0	58	0.0	-74.05	429.93	10.56	-63.49
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916656	0	52	0.0	-63.23	378.49	8.30	-54.93
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)CC1	REAL300005916660	0	58	0.0	-67.14	397.84	9.03	-58.11
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4(CC3)OC3(C)CC4(C(=O)[O-])C3)=CN21	REAL300005916663	0	50	0.0	-59.09	385.17	9.66	-49.43
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916716	0	61	0.0	-65.24	429.46	10.19	-55.05
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916716	1	61	0.0	-64.69	426.90	10.05	-54.64
CC[N@@H+]1CCCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916717	0	55	0.0	-63.25	391.66	8.77	-54.48
CC[N@H+]1CCCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916717	1	55	0.0	-62.34	390.28	8.70	-53.64
C[N@@H+]1CCCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916722	0	52	0.0	-61.63	365.39	8.21	-53.42
C[N@H+]1CCCC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916722	1	52	0.0	-59.03	364.38	8.20	-50.83
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)O1	REAL300005916724	1	52	0.0	-77.48	390.08	8.35	-69.13
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916730	0	61	0.0	-72.34	411.20	9.17	-63.17
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C1	REAL300005916730	1	61	0.0	-73.34	403.63	8.74	-64.60
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC1)O2	REAL300005916733	1	54	0.0	-55.01	378.43	9.44	-45.57
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916736	0	44	0.0	-76.80	325.61	7.86	-68.94
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916736	1	44	0.0	-77.22	325.98	7.83	-69.39
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C2	REAL300005916737	0	48	0.0	-83.72	356.69	8.12	-75.60
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C2	REAL300005916737	1	48	0.0	-74.97	354.28	8.21	-66.76
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)C2	REAL300005916738	0	44	0.0	-87.13	325.62	7.85	-79.28
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)C2	REAL300005916738	1	44	0.0	-77.56	323.21	7.93	-69.63
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])S1)C2	REAL300005916739	0	41	0.0	-68.15	318.85	7.12	-61.03
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])S1)C2	REAL300005916739	1	41	0.0	-69.53	319.72	7.00	-62.53
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(C(=O)[O-])=N1)C2	REAL300005916740	0	43	0.0	-66.65	321.62	6.49	-60.16
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(C(=O)[O-])=N1)C2	REAL300005916740	1	43	0.0	-63.79	323.95	6.10	-57.69
CC(SC1=CC=CC=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300005916741	0	51	0.0	-84.87	378.98	9.61	-75.26
CC(SC1=CC=CC=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300005916741	1	51	0.0	-84.32	378.31	9.59	-74.73
CCOC1=CC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)=CC=C1OCC(=O)[O-]	REAL300005916742	0	55	0.0	-81.74	407.69	8.82	-72.92
CCOC1=CC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=CC=C1OCC(=O)[O-]	REAL300005916742	1	55	0.0	-76.36	405.28	8.89	-67.47
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916743	0	50	0.0	-77.07	370.33	9.45	-67.62
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916743	1	50	0.0	-80.43	371.93	9.31	-71.12
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=NC(C(=O)[O-])=C1)C2	REAL300005916744	0	43	0.0	-89.31	321.70	6.08	-83.23
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=NC(C(=O)[O-])=C1)C2	REAL300005916744	1	43	0.0	-87.29	317.79	6.53	-80.76
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916745	0	48	0.0	-80.25	360.10	9.02	-71.23
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916745	1	48	0.0	-74.74	357.72	9.12	-65.62
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916746	0	52	0.0	-75.24	403.08	4.35	-70.89
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916746	1	52	0.0	-79.25	404.60	4.21	-75.04
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300005916747	0	46	0.0	-77.32	353.77	8.51	-68.81
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300005916747	1	46	0.0	-63.95	349.77	8.94	-55.01
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300005916748	0	46	0.0	-77.32	353.77	8.51	-68.81
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300005916748	1	46	0.0	-63.95	349.77	8.94	-55.01
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C=C1	REAL300005916749	0	54	0.0	-82.03	400.53	9.42	-72.61
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C=C1	REAL300005916749	1	54	0.0	-80.54	396.40	9.84	-70.70
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300005916750	0	51	0.0	-77.22	382.26	8.96	-68.26
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300005916750	1	51	0.0	-78.02	383.56	8.84	-69.18
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCC1=CC=CC=C1C(=O)[O-])C2	REAL300005916751	0	50	0.0	-69.66	361.63	9.19	-60.47
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCC1=CC=CC=C1C(=O)[O-])C2	REAL300005916751	1	50	0.0	-64.54	360.32	9.13	-55.41
CC1=CC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)=CC(C)=C1OCC(=O)[O-]	REAL300005916752	0	54	0.0	-75.17	399.52	9.79	-65.38
CC1=CC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=CC(C)=C1OCC(=O)[O-]	REAL300005916752	1	54	0.0	-73.29	396.25	9.64	-63.65
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C2	REAL300005916753	0	47	0.0	-83.67	350.29	8.52	-75.15
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C2	REAL300005916753	1	47	0.0	-75.78	348.15	8.57	-67.21
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCCC(C(=O)[O-])C1)C2	REAL300005916754	0	50	0.0	-83.87	350.41	8.05	-75.82
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCCC(C(=O)[O-])C1)C2	REAL300005916754	1	50	0.0	-74.28	348.80	8.13	-66.15
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])N=C1)C2	REAL300005916755	0	43	0.0	-76.47	321.45	6.06	-70.41
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])N=C1)C2	REAL300005916755	1	43	0.0	-75.92	317.51	6.50	-69.42
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300005916756	0	43	0.0	-65.47	321.81	6.23	-59.24
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300005916756	1	43	0.0	-63.10	320.54	6.20	-56.90
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C2	REAL300005916757	0	44	0.0	-72.91	328.86	8.03	-64.88
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C2	REAL300005916757	1	44	0.0	-77.58	329.95	7.92	-69.66
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CN=C(C(=O)[O-])C=N1)C2	REAL300005916758	0	42	0.0	-67.58	317.33	4.36	-63.22
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CN=C(C(=O)[O-])C=N1)C2	REAL300005916758	1	42	0.0	-69.37	318.50	4.26	-65.11
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C2	REAL300005916759	0	50	0.0	-72.41	350.47	8.20	-64.21
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C2	REAL300005916759	1	50	0.0	-76.17	351.83	8.08	-68.09
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCC(C(=O)[O-])CC1)C2	REAL300005916760	0	50	0.0	-75.11	350.43	8.04	-67.07
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCC(C(=O)[O-])CC1)C2	REAL300005916760	1	50	0.0	-67.89	341.12	7.98	-59.91
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916761	0	47	0.0	-80.83	349.01	8.63	-72.20
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916761	1	47	0.0	-87.56	350.54	8.50	-79.06
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CN1C=C(C(=O)[O-])N=N1)C2	REAL300005916762	0	43	0.0	-86.10	324.83	4.96	-81.14
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CN1C=C(C(=O)[O-])N=N1)C2	REAL300005916762	1	43	0.0	-79.38	324.67	4.57	-74.81
CC1=NC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)=CC=C1C(=O)[O-]	REAL300005916763	0	46	0.0	-67.12	341.62	6.81	-60.31
CC1=NC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=CC=C1C(=O)[O-]	REAL300005916763	1	46	0.0	-67.16	339.50	6.61	-60.55
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C2	REAL300005916764	0	44	0.0	-79.54	346.90	8.45	-71.09
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C2	REAL300005916764	1	44	0.0	-78.16	342.93	8.89	-69.27
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916765	0	44	0.0	-76.80	325.61	7.86	-68.94
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916765	1	44	0.0	-77.22	325.98	7.83	-69.39
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C2	REAL300005916766	0	47	0.0	-79.95	347.80	8.61	-71.34
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C2	REAL300005916766	1	47	0.0	-78.99	343.80	9.04	-69.95
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C2	REAL300005916767	0	54	0.0	-70.60	390.63	11.31	-59.29
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C2	REAL300005916767	1	54	0.0	-73.57	391.48	11.21	-62.36
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=C(CC(=O)[O-])OC=C1)C2	REAL300005916768	0	44	0.0	-81.16	328.07	6.77	-74.39
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=C(CC(=O)[O-])OC=C1)C2	REAL300005916768	1	44	0.0	-68.46	325.80	6.83	-61.63
CC1=COC(CC(=O)[O-])=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916769	0	47	0.0	-73.18	353.64	7.49	-65.69
CC1=COC(CC(=O)[O-])=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916769	1	47	0.0	-63.96	355.15	7.35	-56.61
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(C(=O)[O-])=CC=N1)C2	REAL300005916770	0	43	0.0	-70.45	321.94	6.23	-64.22
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(C(=O)[O-])=CC=N1)C2	REAL300005916770	1	43	0.0	-75.25	320.09	6.61	-68.64
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1CCC(C(=O)[O-])CC1)C2	REAL300005916771	0	53	0.0	-81.68	370.42	8.78	-72.90
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1CCC(C(=O)[O-])CC1)C2	REAL300005916771	1	53	0.0	-73.34	368.00	8.86	-64.48
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CCC(C(=O)[O-])(CC1)C3)C2	REAL300005916772	0	51	0.0	-84.97	359.69	8.21	-76.76
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CCC(C(=O)[O-])(CC1)C3)C2	REAL300005916772	1	51	0.0	-85.21	359.57	8.19	-77.02
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300005916773	0	54	0.0	-74.83	367.76	8.86	-65.97
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300005916773	1	54	0.0	-78.53	369.08	8.74	-69.79
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=NC3=C(C(=O)[O-])C=NN31)C2	REAL300005916774	0	46	0.0	-78.47	346.42	7.26	-71.21
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=NC3=C(C(=O)[O-])C=NN31)C2	REAL300005916774	1	46	0.0	-76.36	345.20	7.22	-69.14
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300005916775	0	51	0.0	-78.82	376.70	8.65	-70.17
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300005916775	1	51	0.0	-84.39	377.57	8.55	-75.84
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1CCCC3=CC=C(C(=O)[O-])C=C31)C2	REAL300005916776	0	57	0.0	-73.61	403.89	10.71	-62.90
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1CCCC3=CC=C(C(=O)[O-])C=C31)C2	REAL300005916776	1	57	0.0	-76.00	404.75	10.72	-65.28
CC1=C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C=C(C(=O)[O-])O1	REAL300005916777	0	44	0.0	-69.27	328.75	6.99	-62.28
CC1=C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C=C(C(=O)[O-])O1	REAL300005916777	1	44	0.0	-66.31	326.19	7.03	-59.28
CC1=C(C(=O)[O-])OC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)=C1	REAL300005916778	0	44	0.0	-65.51	328.90	6.93	-58.58
CC1=C(C(=O)[O-])OC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=C1	REAL300005916778	1	44	0.0	-65.26	330.18	6.81	-58.45
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CN1C=C(C(=O)[O-])C=N1)C2	REAL300005916779	0	44	0.0	-85.14	332.34	6.00	-79.14
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CN1C=C(C(=O)[O-])C=N1)C2	REAL300005916779	1	44	0.0	-76.04	329.85	6.05	-69.99
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C2	REAL300005916780	0	45	0.0	-68.10	343.96	7.54	-60.56
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C2	REAL300005916780	1	45	0.0	-68.04	345.27	7.43	-60.61
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300005916781	0	51	0.0	-57.81	355.47	8.65	-49.16
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300005916781	1	51	0.0	-60.90	356.97	8.52	-52.38
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2	REAL300005916782	0	48	0.0	-76.34	356.62	8.14	-68.20
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2	REAL300005916782	1	48	0.0	-76.65	356.99	8.12	-68.53
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300005916783	0	53	0.0	-80.09	392.47	8.52	-71.57
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300005916783	1	53	0.0	-82.59	393.35	8.42	-74.17
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCSCC(=O)[O-])C2	REAL300005916784	0	44	0.0	-73.64	335.45	7.04	-66.60
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCSCC(=O)[O-])C2	REAL300005916784	1	44	0.0	-67.31	332.95	7.11	-60.20
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300005916785	0	43	0.0	-65.47	321.81	6.23	-59.24
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300005916785	1	43	0.0	-63.10	320.54	6.20	-56.90
CN1N=C(C(=O)[O-])C=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916786	0	44	0.0	-85.34	322.27	6.01	-79.33
CN1N=C(C(=O)[O-])C=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916786	1	44	0.0	-74.20	327.84	5.50	-68.70
C[C@@H]1C[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)O[C@H]1C(=O)[O-]	REAL300005916787	0	48	0.0	-77.91	346.44	7.45	-70.46
C[C@@H]1C[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)O[C@H]1C(=O)[O-]	REAL300005916787	1	48	0.0	-74.19	345.37	7.42	-66.77
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C2	REAL300005916788	0	47	0.0	-73.35	347.79	8.63	-64.72
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C2	REAL300005916788	1	47	0.0	-74.74	348.17	8.61	-66.13
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C2	REAL300005916789	0	48	0.0	-80.81	357.69	9.14	-71.67
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C2	REAL300005916789	1	48	0.0	-78.32	358.06	9.12	-69.20
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C2	REAL300005916790	0	45	0.0	-76.89	344.65	7.29	-69.60
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C2	REAL300005916790	1	45	0.0	-76.09	341.57	7.77	-68.32
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC=C1CCC(=O)[O-])C2	REAL300005916791	0	50	0.0	-84.07	360.58	9.39	-74.68
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC=C1CCC(=O)[O-])C2	REAL300005916791	1	50	0.0	-83.77	360.38	9.38	-74.39
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)COCC1=C(C(=O)[O-])N=CO1)C2	REAL300005916792	0	47	0.0	-84.96	358.39	3.60	-81.36
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)COCC1=C(C(=O)[O-])N=CO1)C2	REAL300005916792	1	47	0.0	-77.75	355.69	3.64	-74.11
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C2	REAL300005916793	0	45	0.0	-72.53	346.18	7.64	-64.89
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C2	REAL300005916793	1	45	0.0	-72.52	343.10	8.13	-64.39
CC1=CC=C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C=C1C(=O)[O-]	REAL300005916794	0	47	0.0	-86.53	341.58	8.38	-78.15
CC1=CC=C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C=C1C(=O)[O-]	REAL300005916794	1	47	0.0	-84.76	337.62	8.82	-75.94
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CN=CC(C(=O)[O-])=C1)C2	REAL300005916795	0	43	0.0	-79.04	320.78	6.05	-72.99
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CN=CC(C(=O)[O-])=C1)C2	REAL300005916795	1	43	0.0	-70.79	318.36	6.13	-64.66
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916796	0	46	0.0	-63.92	335.93	6.80	-57.12
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916796	1	46	0.0	-61.60	334.50	6.78	-54.82
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CN1C=CC(C(=O)[O-])=N1)C2	REAL300005916797	0	44	0.0	-97.30	331.70	6.02	-91.28
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CN1C=CC(C(=O)[O-])=N1)C2	REAL300005916797	1	44	0.0	-84.04	329.20	6.07	-77.97
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C2	REAL300005916798	0	50	0.0	-88.32	373.95	7.50	-80.82
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C2	REAL300005916798	1	50	0.0	-96.10	375.54	7.36	-88.74
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C2	REAL300005916799	0	51	0.0	-84.75	369.20	7.76	-76.99
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C2	REAL300005916799	1	51	0.0	-84.86	369.41	7.73	-77.13
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C2	REAL300005916800	0	51	0.0	-75.83	367.82	6.66	-69.17
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C2	REAL300005916800	1	51	0.0	-67.29	365.43	6.74	-60.55
CC1=C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)OC(C(=O)[O-])=C1	REAL300005916801	0	44	0.0	-65.68	328.80	7.03	-58.65
CC1=C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)OC(C(=O)[O-])=C1	REAL300005916801	1	44	0.0	-65.13	330.07	6.91	-58.22
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@@H]1C3C=CC(CC3)[C@@H]1C(=O)[O-])C2	REAL300005916802	0	52	0.0	-49.69	346.44	9.08	-40.61
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@@H]1C3C=CC(CC3)[C@@H]1C(=O)[O-])C2	REAL300005916802	1	52	0.0	-50.93	345.06	9.22	-41.71
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C2	REAL300005916803	0	50	0.0	-71.51	337.80	8.70	-62.81
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C2	REAL300005916803	1	50	0.0	-76.75	339.08	8.60	-68.15
C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300005916804	1	52	0.0	-73.82	365.53	5.91	-67.91
C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300005916804	1	52	0.0	-68.27	363.11	5.97	-62.30
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CN1CCCC(C(=O)[O-])C1)C2	REAL300005916804	1	52	0.0	-73.82	365.53	5.91	-67.91
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CN1CCCC(C(=O)[O-])C1)C2	REAL300005916804	1	52	0.0	-68.27	363.11	5.97	-62.30
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C2	REAL300005916805	0	51	0.0	-59.71	367.86	9.72	-49.99
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C2	REAL300005916805	1	51	0.0	-61.90	364.78	10.19	-51.71
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300005916806	0	51	0.0	-78.82	376.70	8.65	-70.17
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300005916806	1	51	0.0	-84.39	377.57	8.55	-75.84
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)C2	REAL300005916807	0	51	0.0	-97.12	383.64	9.98	-87.14
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)C2	REAL300005916807	1	51	0.0	-94.46	380.48	10.45	-84.01
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CC3(CC3C(=O)[O-])C1)C2	REAL300005916808	0	48	0.0	-71.26	349.00	8.22	-63.04
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CC3(CC3C(=O)[O-])C1)C2	REAL300005916808	1	48	0.0	-67.63	346.64	8.31	-59.32
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916809	0	50	0.0	-77.93	351.95	9.05	-68.88
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916809	1	50	0.0	-69.21	354.91	8.67	-60.54
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916810	0	47	0.0	-66.18	340.50	8.61	-57.57
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916810	1	47	0.0	-64.57	341.46	8.52	-56.05
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=C(C(=O)[O-])SC=C1)C2	REAL300005916811	0	41	0.0	-85.71	313.07	7.78	-77.93
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=C(C(=O)[O-])SC=C1)C2	REAL300005916811	1	41	0.0	-71.70	310.79	7.87	-63.83
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916812	0	46	0.0	-71.92	330.18	6.73	-65.19
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916812	1	46	0.0	-76.76	331.36	6.61	-70.15
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916813	0	47	0.0	-73.95	340.49	8.60	-65.35
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916813	1	47	0.0	-76.84	341.44	8.52	-68.32
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C2	REAL300005916814	0	44	0.0	-71.84	336.81	8.46	-63.38
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C2	REAL300005916814	1	44	0.0	-75.78	337.90	8.36	-67.42
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CC3(CC(C(=O)[O-])C3)C1)C2	REAL300005916815	0	51	0.0	-76.34	366.25	8.71	-67.63
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CC3(CC(C(=O)[O-])C3)C1)C2	REAL300005916815	1	51	0.0	-70.93	363.88	8.79	-62.14
COC1=CC(C(=O)[O-])=NC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)=C1	REAL300005916816	0	47	0.0	-62.09	353.46	5.44	-56.65
COC1=CC(C(=O)[O-])=NC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=C1	REAL300005916816	1	47	0.0	-64.53	351.59	5.84	-58.69
CN1C(C(=O)[O-])=CC=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916817	0	45	0.0	-77.22	327.78	7.06	-70.16
CN1C(C(=O)[O-])=CC=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916817	1	45	0.0	-70.69	325.60	7.12	-63.57
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C2	REAL300005916818	0	50	0.0	-75.58	369.20	9.43	-66.15
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C2	REAL300005916818	1	50	0.0	-76.20	369.57	9.41	-66.79
CC1=NNC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)=C1C(=O)[O-]	REAL300005916819	0	44	0.0	-73.46	319.87	5.76	-67.70
CC1=NNC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=C1C(=O)[O-]	REAL300005916819	1	44	0.0	-80.91	320.96	5.65	-75.26
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CC3(C1)C(C(=O)[O-])C3(F)F)C2	REAL300005916820	0	48	0.0	-70.86	358.32	8.47	-62.39
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CC3(C1)C(C(=O)[O-])C3(F)F)C2	REAL300005916820	1	48	0.0	-83.86	358.30	8.28	-75.58
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CSC(C(=O)[O-])=N1)C2	REAL300005916821	0	40	0.0	-62.66	314.07	5.10	-57.56
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CSC(C(=O)[O-])=N1)C2	REAL300005916821	1	40	0.0	-61.51	315.39	4.99	-56.52
CC1=C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C=C(C(=O)[O-])S1	REAL300005916822	0	44	0.0	-67.15	332.76	8.07	-59.08
CC1=C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C=C(C(=O)[O-])S1	REAL300005916822	1	44	0.0	-65.91	334.68	7.68	-58.23
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC3=C(SC(C(=O)[O-])=C3)S1)C2	REAL300005916823	0	44	0.0	-74.02	354.37	8.52	-65.50
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC3=C(SC(C(=O)[O-])=C3)S1)C2	REAL300005916823	1	44	0.0	-71.83	353.15	8.51	-63.32
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)=C1	REAL300005916824	0	48	0.0	-74.24	362.14	7.64	-66.60
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=C1	REAL300005916824	1	48	0.0	-80.15	363.43	7.54	-72.61
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916825	0	47	0.0	-69.20	353.58	8.26	-60.94
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916825	1	47	0.0	-64.94	350.81	8.31	-56.63
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC3=C(C(=O)[O-])C=CC=C3S1)C2	REAL300005916826	0	47	0.0	-79.78	359.72	9.23	-70.55
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC3=C(C(=O)[O-])C=CC=C3S1)C2	REAL300005916826	1	47	0.0	-85.84	360.59	9.11	-76.73
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCC1=CC=CN=C1C(=O)[O-])C2	REAL300005916827	0	49	0.0	-73.77	357.99	7.41	-66.36
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCC1=CC=CN=C1C(=O)[O-])C2	REAL300005916827	1	49	0.0	-80.29	359.43	7.29	-73.00
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CC(C(=O)[O-])(C1)CO3)C2	REAL300005916828	0	46	0.0	-67.31	334.60	5.53	-61.78
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CC(C(=O)[O-])(C1)CO3)C2	REAL300005916828	1	46	0.0	-64.71	333.19	5.48	-59.23
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916829	0	48	0.0	-76.77	358.92	9.15	-67.62
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C2	REAL300005916829	1	48	0.0	-80.49	360.24	9.03	-71.46
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300005916830	0	51	0.0	-57.81	355.47	8.65	-49.16
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300005916830	1	51	0.0	-60.90	356.97	8.52	-52.38
CN1N=CC(C(=O)[O-])=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916831	0	44	0.0	-68.65	330.22	5.39	-63.26
CN1N=CC(C(=O)[O-])=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916831	1	44	0.0	-76.81	331.03	5.25	-71.56
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC3=C(N1)C(C(=O)[O-])=CS3)C2	REAL300005916832	0	45	0.0	-67.24	349.73	6.96	-60.28
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC3=C(N1)C(C(=O)[O-])=CS3)C2	REAL300005916832	1	45	0.0	-66.89	350.59	6.85	-60.04
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC3=C(C=C(C(=O)[O-])S3)N1)C2	REAL300005916833	0	45	0.0	-75.10	349.69	7.12	-67.98
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC3=C(C=C(C(=O)[O-])S3)N1)C2	REAL300005916833	1	45	0.0	-77.92	350.78	7.00	-70.92
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC3=C(N1)C(C(=O)[O-])=CO3)C2	REAL300005916834	0	45	0.0	-68.63	342.14	6.00	-62.63
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC3=C(N1)C(C(=O)[O-])=CO3)C2	REAL300005916834	1	45	0.0	-66.16	339.58	6.07	-60.09
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300005916835	0	47	0.0	-78.01	334.67	8.51	-69.50
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916835	1	47	0.0	-83.82	335.86	8.41	-75.41
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C2	REAL300005916836	0	47	0.0	-81.48	355.91	7.26	-74.22
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C2	REAL300005916836	1	47	0.0	-81.83	356.28	7.26	-74.57
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(C(=O)[O-])=CS1)C2	REAL300005916837	0	41	0.0	-79.85	316.72	7.23	-72.62
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC(C(=O)[O-])=CS1)C2	REAL300005916837	1	41	0.0	-81.87	318.64	6.86	-75.01
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])C2	REAL300005916838	0	49	0.0	-65.48	344.62	6.44	-59.04
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])C2	REAL300005916838	1	49	0.0	-76.33	345.97	6.20	-70.13
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)C2	REAL300005916839	0	50	0.0	-79.53	360.46	10.00	-69.53
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)C2	REAL300005916839	1	50	0.0	-83.70	361.43	9.90	-73.80
CC(C)[C@]1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C(=O)[O-]	REAL300005916840	0	50	0.0	-62.21	354.46	7.96	-54.25
CC(C)[C@]1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C(=O)[O-]	REAL300005916840	1	50	0.0	-57.79	349.75	8.43	-49.36
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CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300005916841	1	50	0.0	-86.78	363.84	9.48	-77.30
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1=CC(C(=O)[O-])=CS1)C2	REAL300005916842	0	44	0.0	-83.46	341.79	7.65	-75.81
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1=CC(C(=O)[O-])=CS1)C2	REAL300005916842	1	44	0.0	-75.91	339.35	7.73	-68.18
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C2	REAL300005916843	0	47	0.0	-83.47	353.53	8.66	-74.81
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C2	REAL300005916843	1	47	0.0	-81.23	352.54	8.63	-72.60
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=C3CCCCC3=C(C(=O)[O-])S1)C2	REAL300005916844	0	51	0.0	-70.36	374.57	9.35	-61.01
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C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300005916845	0	54	0.0	-74.83	367.76	8.86	-65.97
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C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(O)CC(=O)[O-])C=C1	REAL300005919502	0	50	0.0	-73.20	401.33	5.54	-67.66
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(O)CC(=O)[O-])=C1	REAL300005919510	0	50	0.0	-76.61	401.82	7.90	-68.71
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CC1(C(=O)NCC(O)CC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300005919511	0	50	0.0	-65.79	381.01	6.44	-59.35
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O=C([O-])CC(O)CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005919624	0	40	0.0	-73.24	336.42	3.41	-69.83
C[NH+](C)CCN1N=CC(C(=O)NCC(O)CC(=O)[O-])=C1C1=CC=CC=C1	REAL300005919629	0	50	0.0	-76.61	400.24	5.59	-71.02
O=C([O-])CC(O)CNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005919652	0	48	0.0	-72.56	358.68	3.12	-69.44
CC[N@H+](CC1=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C1)C(C)C	REAL300005919667	0	49	0.0	-73.66	366.57	5.74	-67.92
CC[N@@H+](CC1=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C1)C(C)C	REAL300005919667	1	49	0.0	-72.01	364.76	5.46	-66.55
O=C([O-])CC(O)CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005919687	0	44	0.0	-68.24	350.05	5.22	-63.02
O=C([O-])CC(O)CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005919687	1	44	0.0	-68.51	351.44	5.33	-63.18
O=C([O-])CC(O)CNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005919688	0	45	0.0	-74.75	346.78	4.48	-70.27
C[NH+]1CCN(C(C(=O)NCC(O)CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300005919706	1	49	0.0	-67.70	380.38	4.13	-63.57
O=C([O-])CC(O)CNC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005919707	0	48	0.0	-67.82	344.58	2.69	-65.13
O=C([O-])CC(O)CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005919716	0	50	0.0	-71.23	390.60	6.90	-64.33
O=C([O-])CC(O)CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005919716	1	50	0.0	-71.17	390.61	6.90	-64.27
O=C([O-])CC(O)CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005919753	1	48	0.0	-62.31	375.06	2.80	-59.51
CC[NH+](CC)C(C(=O)NCC(O)CC(=O)[O-])C1=CC=CC=C1	REAL300005919758	0	46	0.0	-60.93	348.64	5.12	-55.81
C[NH+](C)C(C(=O)NCC(O)CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005919759	1	40	0.0	-65.63	338.42	4.85	-60.78
O=C([O-])CC(O)CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005919772	0	44	0.0	-74.80	349.35	5.36	-69.44
O=C([O-])CC(O)CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005919777	0	47	0.0	-71.61	366.68	6.18	-65.43
CCN1CCC([NH+]2CCC(C(=O)NCC(O)CC(=O)[O-])CC2)CC1	REAL300005919783	0	55	0.0	-70.06	401.83	3.78	-66.28
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(O)CC(=O)[O-])=C1	REAL300005919785	0	57	0.0	-74.09	451.21	9.49	-64.60
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(O)CC(=O)[O-])=C1	REAL300005919785	1	57	0.0	-75.53	449.16	9.29	-66.24
CC1C[NH+](CC2=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C2)CC(C)O1	REAL300005919789	1	51	0.0	-77.79	400.26	5.17	-72.62
O=C([O-])CC(O)CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005919800	1	48	0.0	-76.72	374.52	5.33	-71.39
O=C([O-])CC(O)CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005919800	1	48	0.0	-75.61	381.60	5.32	-70.29
O=C([O-])CC(O)CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005919815	0	47	0.0	-61.12	365.94	5.92	-55.20
O=C([O-])CC(O)CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005919815	1	47	0.0	-61.82	356.16	5.83	-55.99
CC1=C(C(=O)NCC(O)CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005919816	1	38	0.0	-77.30	321.14	2.68	-74.62
O=C([O-])CC(O)CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005919823	0	47	0.0	-75.23	366.67	6.09	-69.14
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC(O)CC(=O)[O-]	REAL300005919833	0	57	0.0	-74.19	441.86	8.90	-65.29
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC(O)CC(=O)[O-]	REAL300005919833	1	57	0.0	-72.49	441.60	9.08	-63.41
O=C([O-])CC(O)CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005919839	1	45	0.0	-67.97	354.19	4.67	-63.30
O=C([O-])CC(O)CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005919839	1	45	0.0	-68.45	354.22	4.66	-63.79
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC(O)CC(=O)[O-]	REAL300005919843	0	54	0.0	-65.84	411.16	7.66	-58.18
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC(O)CC(=O)[O-]	REAL300005919843	1	54	0.0	-64.34	403.97	7.39	-56.95
CC(C(=O)NCC(O)CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005919851	0	53	0.0	-63.48	405.53	7.25	-56.23
COCCOCC[N@H+](C)CCC(=O)NCC(O)CC(=O)[O-]	REAL300005919875	0	47	0.0	-68.39	375.40	1.40	-66.99
COCCOCC[N@@H+](C)CCC(=O)NCC(O)CC(=O)[O-]	REAL300005919875	1	47	0.0	-69.30	375.14	1.48	-67.82
O=C([O-])CC(O)CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005919884	0	52	0.0	-73.57	401.57	4.93	-68.64
CC(C)[NH+]1CCN(CCC(=O)NCC(O)CC(=O)[O-])CC1	REAL300005919904	0	48	0.0	-67.69	362.32	2.02	-65.67
CC(C)N1CC[NH+](CCC(=O)NCC(O)CC(=O)[O-])CC1	REAL300005919904	1	48	0.0	-67.96	358.63	1.81	-66.15
CC(C)[NH+]1CCN(CCCC(=O)NCC(O)CC(=O)[O-])CC1	REAL300005919905	0	51	0.0	-67.64	383.82	2.82	-64.82
CC(C)N1CC[NH+](CCCC(=O)NCC(O)CC(=O)[O-])CC1	REAL300005919905	1	51	0.0	-69.49	380.43	2.55	-66.94
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(O)CC(=O)[O-])CC2)=C1	REAL300005919909	0	52	0.0	-72.21	401.17	4.85	-67.36
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CN1CC[NH+](CC2=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C2)CC1	REAL300005920002	1	49	0.0	-76.01	383.49	3.59	-72.42
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C1	REAL300005920003	0	50	0.0	-73.68	390.41	5.41	-68.27
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CC[NH+](CC)C(C(=O)NCC(O)CC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300005920093	0	49	0.0	-64.75	384.39	6.17	-58.58
CC(C)C(C(=O)NCC(O)CC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005920117	1	50	0.0	-61.39	372.52	3.91	-57.48
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(O)CC(=O)[O-])=CC=C1N2	REAL300005920135	1	45	0.0	-77.96	360.21	4.71	-73.25
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(O)CC(=O)[O-])=CC=C1N2	REAL300005920135	1	45	0.0	-77.70	360.11	4.74	-72.96
CC1=CC=C(N2CCC(C(=O)NCC(O)CC(=O)[O-])CC2)[NH+]=C1	REAL300005920180	1	46	0.0	-66.13	361.29	3.88	-62.25
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C2)CC1	REAL300005920183	0	52	0.0	-74.57	393.44	4.64	-69.93
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(O)CC(=O)[O-]	REAL300005920211	0	47	0.0	-72.41	371.97	5.76	-66.65
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(O)CC(=O)[O-]	REAL300005920211	1	47	0.0	-71.99	373.04	5.85	-66.14
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(O)CC(=O)[O-])C=C1	REAL300005920225	0	48	0.0	-75.70	389.76	5.26	-70.44
O=C([O-])CC(O)CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005920238	0	44	0.0	-71.76	353.42	4.47	-67.29
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC(O)CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005920259	0	46	0.0	-67.65	361.28	3.99	-63.66
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(O)CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005920259	1	46	0.0	-64.55	359.66	4.14	-60.41
O=C([O-])CC(O)CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300005920415	0	48	0.0	-68.84	375.87	6.32	-62.52
O=C([O-])CC(O)CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300005920415	1	48	0.0	-71.73	377.84	6.26	-65.47
O=C([O-])CC(O)CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300005920443	1	47	0.0	-66.55	362.94	5.85	-60.70
O=C([O-])CC(O)CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300005920443	1	47	0.0	-63.71	362.56	5.91	-57.80
C[NH+](C)CCOC1=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C1	REAL300005920783	0	44	0.0	-74.85	355.21	4.08	-70.77
O=C([O-])CC(O)CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005920833	0	50	0.0	-68.87	386.67	6.79	-62.08
CC1C[N@H+](CC2=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C2)CCO1	REAL300005920835	1	48	0.0	-77.28	372.47	4.50	-72.78
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C2)CCO1	REAL300005920835	1	48	0.0	-77.41	372.48	4.49	-72.92
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NCC(O)CC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300005920874	0	56	0.0	-74.47	423.14	7.24	-67.23
CC(C)(C)[N@H+]1CC[C@H](C(=O)NCC(O)CC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300005920874	1	56	0.0	-74.47	423.14	7.24	-67.23
CC1(C)OC2(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC1C2	REAL300005920939	0	48	0.0	-47.50	359.10	6.32	-41.18
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005921077	0	64	0.0	-46.55	463.76	13.69	-32.86
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005921077	1	64	0.0	-47.95	465.09	13.74	-34.21
CN1CC[C@@H](NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005921184	0	52	0.0	-53.89	412.24	8.50	-45.39
CN1CC[C@@H](NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300005921184	1	52	0.0	-50.06	411.03	8.07	-41.99
CC1CC(C(=O)[O-])CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005922530	0	53	0.0	-59.48	393.42	11.33	-48.15
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005923311	0	50	0.0	-47.89	365.25	10.58	-37.31
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005923311	1	50	0.0	-46.75	363.78	10.52	-36.23
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005924107	1	50	0.0	-52.46	392.23	11.23	-41.23
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005924107	1	50	0.0	-52.34	388.28	11.49	-40.85
CC1=[NH+]C=C2CCC(C(=O)N3CC(C)CC(C(=O)[O-])C3)CN12	REAL300005924195	1	45	0.0	-69.04	335.83	9.02	-60.02
CC1CC(C(=O)[O-])CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300005924196	0	53	0.0	-52.12	378.86	10.84	-41.28
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C)CC(C(=O)[O-])C3)CC2)=CS1	REAL300005924261	1	52	0.0	-82.92	399.97	9.05	-73.87
CC1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300005924336	0	56	0.0	-64.69	427.70	11.03	-53.66
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300005924350	0	56	0.0	-67.73	424.79	13.31	-54.42
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300005924350	1	56	0.0	-67.20	423.70	13.26	-53.94
CC1CC(C(=O)[O-])CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005924351	0	56	0.0	-56.49	397.17	11.23	-45.26
CC1CC(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005924394	0	53	0.0	-51.11	395.14	11.15	-39.96
CC1CC(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005924394	1	53	0.0	-55.65	391.61	11.09	-44.56
CC1CC(C(=O)[O-])CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300005924434	0	52	0.0	-49.93	343.99	9.09	-40.84
CC1CC(C(=O)[O-])CN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300005924437	0	52	0.0	-54.92	367.19	10.11	-44.81
CC1CC(C(=O)[O-])CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300005924437	1	52	0.0	-54.68	367.19	10.10	-44.58
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005924461	1	53	0.0	-52.19	397.62	11.46	-40.73
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005924461	1	53	0.0	-51.47	385.39	10.94	-40.53
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005924462	1	50	0.0	-53.44	381.91	10.78	-42.66
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005924462	1	50	0.0	-53.18	377.95	11.04	-42.14
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300005924517	0	46	0.0	-84.56	349.98	8.60	-75.96
CC1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)C1	REAL300005924522	0	56	0.0	-68.21	431.41	11.12	-57.09
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300005924548	0	53	0.0	-48.83	364.81	9.83	-39.00
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300005924548	1	53	0.0	-49.05	362.20	10.22	-38.83
CC1CC(C(=O)[O-])CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300005924549	0	54	0.0	-56.92	376.07	8.30	-48.62
CC1CC(C(=O)[O-])CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300005924577	1	50	0.0	-61.68	371.94	7.87	-53.81
CC[N@H+](CC1=CC=C(C(=O)N2CC(C)CC(C(=O)[O-])C2)C=C1)C(C)C	REAL300005924578	0	55	0.0	-84.06	391.20	10.71	-73.35
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C)CC(C(=O)[O-])C2)C=C1)C(C)C	REAL300005924578	1	55	0.0	-62.09	391.32	10.71	-51.38
CC1CC(C(=O)[O-])CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005924602	0	50	0.0	-57.75	373.75	10.52	-47.23
CC1CC(C(=O)[O-])CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005924602	1	50	0.0	-57.68	369.92	10.82	-46.86
CC1CC(C(=O)[O-])CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300005924603	0	51	0.0	-61.42	376.59	10.01	-51.41
CC1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C1	REAL300005924625	1	55	0.0	-61.78	398.98	9.56	-52.22
CC1CC(C(=O)[O-])CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300005924626	0	54	0.0	-56.78	366.24	8.43	-48.35
CC(C(=O)N1CC(C)CC(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300005924629	0	49	0.0	-50.64	361.36	10.41	-40.23
CC(C(=O)N1CC(C)CC(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005924629	1	49	0.0	-50.08	365.35	10.11	-39.97
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300005924639	0	56	0.0	-59.50	417.21	12.22	-47.28
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300005924639	1	56	0.0	-69.09	402.41	12.48	-56.61
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300005924670	0	45	0.0	-64.79	347.42	7.49	-57.30
CCC[NH+](CCC)CCCC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300005924682	0	54	0.0	-57.85	387.09	10.46	-47.39
CC1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300005924683	1	54	0.0	-47.48	392.47	8.24	-39.24
CC[N@H+](C)C(C(=O)N1CC(C)CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005924684	0	49	0.0	-48.64	362.62	10.14	-38.50
CC[N@@H+](C)C(C(=O)N1CC(C)CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005924684	1	49	0.0	-47.43	361.06	10.15	-37.28
CC[NH+](CC)C(C(=O)N1CC(C)CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005924689	0	52	0.0	-46.45	372.02	10.78	-35.67
CC1CC(C(=O)[O-])CN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C1	REAL300005924695	1	46	0.0	-51.82	358.57	9.96	-41.86
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300005924709	0	50	0.0	-84.90	375.04	10.53	-74.37
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300005924716	0	53	0.0	-62.78	388.54	11.51	-51.27
CCN1CCC([NH+]2CCC(C(=O)N3CC(C)CC(C(=O)[O-])C3)CC2)CC1	REAL300005924722	0	61	0.0	-56.82	427.14	9.04	-47.78
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C1	REAL300005924729	1	57	0.0	-63.90	421.80	10.54	-53.36
CC1CC(C(=O)[O-])CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005924738	1	54	0.0	-63.11	407.76	10.80	-52.31
CC1CC(C(=O)[O-])CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005924738	1	54	0.0	-64.53	408.46	10.82	-53.71
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005924752	0	53	0.0	-48.00	389.83	11.29	-36.71
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005924752	1	53	0.0	-47.70	389.33	11.27	-36.43
CC1=C(C(=O)N2CC(C)CC(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300005924754	1	44	0.0	-70.44	343.86	8.04	-62.40
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300005924762	0	53	0.0	-85.28	391.78	11.24	-74.04
CC1CC(C(=O)[O-])CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300005924774	1	46	0.0	-69.41	349.50	8.88	-60.53
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300005924775	0	49	0.0	-64.52	369.41	10.51	-54.01
CC1CC(C(=O)[O-])CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005924783	1	51	0.0	-85.03	384.14	10.08	-74.95
CC1CC(C(=O)[O-])CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005924783	1	51	0.0	-54.24	378.56	10.29	-43.95
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OCC[N@@H+]2CCCCC2C)C1	REAL300005924789	0	60	0.0	-58.86	433.41	11.61	-47.25
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OCC[N@H+]2CCCCC2C)C1	REAL300005924789	1	60	0.0	-67.92	437.92	12.37	-55.55
CC(C(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005924797	0	59	0.0	-50.54	417.55	12.62	-37.92
CC(C(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300005924827	1	44	0.0	-50.30	329.46	8.14	-42.16
CC1CC(C(=O)[O-])CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300005924834	0	49	0.0	-55.81	367.92	10.91	-44.90
CC1CC(C(=O)[O-])CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300005924834	1	49	0.0	-55.73	372.78	10.67	-45.06
COCCOCC[N@H+](C)CCC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300005924835	0	53	0.0	-56.58	401.83	6.90	-49.68
COCCOCC[N@@H+](C)CCC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300005924835	1	53	0.0	-56.34	401.17	6.87	-49.47
CC1CC(C(=O)[O-])CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005924845	0	58	0.0	-61.63	422.61	10.64	-50.99
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300005924846	1	52	0.0	-51.83	377.26	9.24	-42.59
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300005924846	1	52	0.0	-52.15	377.75	9.25	-42.90
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300005924847	1	52	0.0	-48.39	380.41	9.76	-38.63
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300005924847	1	52	0.0	-51.02	374.53	9.13	-41.89
CC1CC(C(=O)[O-])CN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300005924871	0	44	0.0	-56.16	327.59	8.70	-47.46
CC1CC(C(=O)[O-])CN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300005924871	1	44	0.0	-57.46	328.95	8.73	-48.73
CC(C)[NH+]1CCN(CCC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300005924882	0	54	0.0	-56.22	383.64	7.68	-48.54
CC(C)N1CC[NH+](CCC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300005924882	1	54	0.0	-54.97	380.63	7.50	-47.47
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300005924883	0	57	0.0	-59.17	405.63	8.49	-50.68
CC(C)N1CC[NH+](CCCC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300005924883	1	57	0.0	-57.48	401.98	8.31	-49.17
CC1CC(C(=O)[O-])CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300005924885	0	46	0.0	-70.73	355.43	7.41	-63.32
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C)CC(C(=O)[O-])C3)CC2)=C1	REAL300005924890	0	58	0.0	-58.54	427.20	10.26	-48.28
CC1CC(C(=O)[O-])CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005924892	0	55	0.0	-58.85	401.25	9.83	-49.02
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300005924896	0	52	0.0	-76.87	375.32	9.88	-66.99
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300005924896	1	52	0.0	-59.51	388.12	9.42	-50.09
CC(C(=O)N1CC(C)CC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005924901	1	50	0.0	-49.89	366.81	10.50	-39.39
CC(C(=O)N1CC(C)CC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005924901	1	50	0.0	-50.03	363.74	10.82	-39.21
CCC(CC)C(C(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300005924916	1	56	0.0	-48.08	364.89	8.12	-39.96
CC1CC(C(=O)[O-])CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005924929	0	53	0.0	-59.94	393.98	11.76	-48.18
CC1CC(C(=O)[O-])CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005924929	1	53	0.0	-60.48	398.29	11.51	-48.97
CC1CC(C(=O)[O-])CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300005924941	0	46	0.0	-89.88	354.75	8.04	-81.84
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300005924942	0	46	0.0	-62.05	345.85	7.74	-54.31
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300005924947	1	47	0.0	-50.36	354.27	9.72	-40.64
CC1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1	REAL300005924950	1	47	0.0	-67.82	344.44	7.28	-60.54
CC1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1	REAL300005924950	1	47	0.0	-68.00	351.60	7.30	-60.70
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005924961	0	53	0.0	-59.27	391.47	11.52	-47.75
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005924961	1	53	0.0	-79.35	395.70	11.64	-67.71
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300005924962	1	49	0.0	-46.79	366.26	9.34	-37.45
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300005924962	1	49	0.0	-48.63	358.69	8.66	-39.97
CC1CC(C(=O)[O-])CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300005924966	0	54	0.0	-59.48	403.55	9.01	-50.47
CC1CC(C(=O)[O-])CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300005925012	0	53	0.0	-53.77	371.11	10.21	-43.56
CC1CC(C(=O)[O-])CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300005925012	1	53	0.0	-53.87	373.67	9.92	-43.95
CC1CC(C(=O)[O-])CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300005925032	0	58	0.0	-61.58	418.49	11.00	-50.58
CC1CC(C(=O)[O-])CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300005925032	1	58	0.0	-66.33	418.94	10.73	-55.60
CC1CC(C(=O)[O-])CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300005925039	0	50	0.0	-48.84	346.02	6.73	-42.11
CC(C)[N@@H+]1CCC(C(=O)N2CC(C)CC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300005925042	0	59	0.0	-85.59	428.00	10.38	-75.21
CC(C)[N@H+]1CCC(C(=O)N2CC(C)CC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300005925042	1	59	0.0	-60.71	430.01	10.46	-50.25
CC1CC(C(=O)[O-])CN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C1	REAL300005925043	0	53	0.0	-64.47	379.98	8.92	-55.55
CC1CC(C(=O)[O-])CN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C1	REAL300005925043	1	53	0.0	-64.33	378.61	8.92	-55.41
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C1	REAL300005925049	0	55	0.0	-64.15	408.77	8.62	-55.53
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C1	REAL300005925050	0	55	0.0	-66.79	409.39	8.65	-58.14
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C1	REAL300005925050	1	55	0.0	-62.42	403.73	8.92	-53.50
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C)CC(C(=O)[O-])C2)C=C1	REAL300005925051	0	56	0.0	-82.58	406.26	10.47	-72.11
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300005925152	0	57	0.0	-62.90	420.16	8.82	-54.08
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300005925156	0	46	0.0	-62.59	347.04	9.67	-52.92
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005925157	0	53	0.0	-54.59	379.92	11.62	-42.97
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005925157	1	53	0.0	-50.73	384.72	11.21	-39.52
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300005925213	0	46	0.0	-53.70	338.92	9.72	-43.98
CC[NH+]1CCN(CCC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300005925215	0	51	0.0	-58.30	366.39	7.12	-51.18
CCN1CC[NH+](CCC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300005925215	1	51	0.0	-55.02	372.28	6.95	-48.07
CC(C)C(C(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300005925218	0	52	0.0	-48.26	354.06	9.56	-38.70
CC1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300005925219	1	46	0.0	-50.71	342.25	9.47	-41.24
CC1CC(C(=O)[O-])CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005925223	0	51	0.0	-70.32	382.21	7.67	-62.65
CC1CC(C(=O)[O-])CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005925223	1	51	0.0	-56.16	385.06	7.61	-48.55
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300005925228	1	47	0.0	-50.36	354.45	9.67	-40.69
CC1CC(C(=O)[O-])CN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C1	REAL300005925229	0	49	0.0	-64.81	365.93	10.31	-54.50
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300005925233	0	50	0.0	-47.97	341.48	9.63	-38.34
CC1CC(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300005925233	1	50	0.0	-47.54	343.26	9.43	-38.11
CC1CC(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300005925256	1	51	0.0	-47.71	377.85	11.23	-36.48
CC(C)C(C(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300005925257	1	56	0.0	-49.58	385.12	8.67	-40.91
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C1	REAL300005925285	1	51	0.0	-64.55	386.10	9.78	-54.77
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C1	REAL300005925285	1	51	0.0	-88.76	386.58	9.83	-78.93
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C)CC(C(=O)[O-])C2)O1	REAL300005925337	0	49	0.0	-53.87	366.70	9.62	-44.25
CC1=CC=C(N2CCC(C(=O)N3CC(C)CC(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300005925338	1	52	0.0	-75.99	386.84	9.20	-66.79
CC1CC(C(=O)[O-])CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300005925339	1	46	0.0	-53.26	345.03	10.05	-43.21
CC1CC(C(=O)[O-])CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300005925339	1	46	0.0	-53.17	349.65	9.79	-43.38
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C)CC(C(=O)[O-])C3)C=C2)CC1	REAL300005925342	0	58	0.0	-63.05	419.51	9.77	-53.28
CC1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005925353	1	41	0.0	-69.47	326.89	7.66	-61.81
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300005925387	0	53	0.0	-57.09	390.52	11.33	-45.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300005925387	1	53	0.0	-56.58	388.14	11.81	-44.77
CC1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300005925405	0	54	0.0	-66.88	410.20	10.95	-55.93
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300005925423	0	50	0.0	-56.01	371.34	10.02	-45.99
CC1CC(C(=O)[O-])CN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C1	REAL300005925454	0	52	0.0	-53.62	380.62	9.59	-44.03
CC1CC(C(=O)[O-])CN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C1	REAL300005925454	1	52	0.0	-52.54	382.85	9.20	-43.34
CC1CC(C(=O)[O-])CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300005925693	0	54	0.0	-51.81	387.51	11.49	-40.32
CC1CC(C(=O)[O-])CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300005925693	1	54	0.0	-53.86	394.54	11.63	-42.23
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300005925725	1	53	0.0	-48.04	397.34	11.45	-36.59
CC1CC(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300005925725	1	53	0.0	-50.29	380.72	11.18	-39.11
CC1CC(C(=O)[O-])CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300005925808	0	43	0.0	-54.48	331.46	7.69	-46.79
CC1CC(C(=O)[O-])CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300005925808	1	43	0.0	-56.18	327.86	7.96	-48.22
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300005926240	0	49	0.0	-66.72	373.76	10.25	-56.47
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300005926246	0	50	0.0	-84.41	374.79	9.39	-75.02
CC1CC(C(=O)[O-])CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005926325	0	56	0.0	-61.85	413.16	12.22	-49.63
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C1	REAL300005926327	1	54	0.0	-86.97	405.69	9.61	-77.36
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C1	REAL300005926327	1	54	0.0	-63.80	402.21	9.92	-53.88
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300005926413	0	52	0.0	-51.26	360.47	9.98	-41.28
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300005926413	1	52	0.0	-51.26	360.47	9.98	-41.28
CC1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300005926421	0	52	0.0	-55.96	348.46	8.25	-47.71
CC1CC(C(=O)[O-])CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300005926421	1	52	0.0	-55.96	348.46	8.25	-47.71
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(C2)CCC(F)(F)CC3)C1	REAL300005926506	0	50	0.0	-49.92	368.82	9.65	-40.27
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(C2)CCC(F)(F)CC3)C1	REAL300005926506	1	50	0.0	-49.92	368.82	9.65	-40.27
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1OC(F)F	REAL300005926636	0	47	0.0	-53.25	371.53	8.04	-45.21
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1Br	REAL300005928342	0	41	0.0	-77.54	339.12	9.03	-68.51
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1Br	REAL300005928366	0	38	0.0	-69.66	317.82	8.28	-61.38
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1Br	REAL300005928366	1	38	0.0	-70.49	317.59	8.34	-62.15
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(Br)=C3)CN12	REAL300005928372	1	39	0.0	-69.72	333.64	8.70	-61.02
C[NH+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928436	1	30	0.0	-78.01	265.50	5.96	-72.05
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928437	1	37	0.0	-71.44	307.22	7.59	-63.85
C[N@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928437	1	37	0.0	-74.60	297.94	7.36	-67.24
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)N1CC[NH+](C)CC1	REAL300005928438	1	42	0.0	-74.88	338.47	5.81	-69.07
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928472	1	37	0.0	-71.42	307.23	7.58	-63.84
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928472	1	37	0.0	-74.19	297.92	7.37	-66.82
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005928529	0	37	0.0	-81.39	309.61	7.63	-73.76
O=C([O-])C1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1Br	REAL300005928559	0	32	0.0	-76.74	295.61	9.47	-67.27
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CCCCC1	REAL300005928586	0	46	0.0	-79.12	350.38	9.49	-69.63
C[N@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1CCCCC1	REAL300005928591	0	46	0.0	-78.94	363.94	9.55	-69.39
C[N@@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1CCCCC1	REAL300005928591	1	46	0.0	-78.97	363.92	9.57	-69.40
C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928605	0	34	0.0	-72.19	291.06	6.91	-65.28
C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928605	1	34	0.0	-72.20	292.01	6.96	-65.24
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005928654	0	37	0.0	-81.39	309.61	7.63	-73.76
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1Br	REAL300005928666	0	47	0.0	-70.49	362.48	9.73	-60.76
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1Br	REAL300005928666	1	47	0.0	-70.42	362.70	9.79	-60.63
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928696	1	38	0.0	-74.20	336.48	8.87	-65.33
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1Br	REAL300005928697	1	44	0.0	-80.77	363.77	7.55	-73.22
C[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[NH+](C)C	REAL300005928703	0	33	0.0	-74.79	283.74	6.38	-68.41
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928704	0	34	0.0	-75.78	285.44	6.52	-69.26
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928704	1	34	0.0	-73.14	290.80	7.01	-66.13
C[C@H](C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[NH+](C)C	REAL300005928708	0	33	0.0	-75.30	283.32	6.37	-68.93
C[NH+](C)C1(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005928716	1	34	0.0	-80.65	287.41	7.56	-73.09
CCC(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[NH+](CC)CC	REAL300005928775	0	42	0.0	-69.57	326.79	8.10	-61.47
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300005928777	0	43	0.0	-76.73	360.22	9.96	-66.77
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005928777	1	43	0.0	-77.91	359.35	10.01	-67.90
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300005928796	0	39	0.0	-81.36	339.15	7.61	-73.75
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928800	0	48	0.0	-77.93	383.65	9.89	-68.04
CC[N@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1=CC=CC=C1	REAL300005928801	1	43	0.0	-70.99	357.66	10.11	-60.88
CC[N@@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1=CC=CC=C1	REAL300005928801	1	43	0.0	-73.70	353.72	9.91	-63.79
C[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005928802	1	35	0.0	-77.34	295.80	6.16	-71.18
C[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005928802	1	35	0.0	-87.17	303.18	6.33	-80.84
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928813	1	38	0.0	-71.55	330.88	8.71	-62.84
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005928827	0	37	0.0	-79.68	313.74	7.77	-71.91
C[NH+](C)CCCCC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928833	0	39	0.0	-78.90	330.87	8.11	-70.79
CC(C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[NH+](C)C	REAL300005928841	0	39	0.0	-72.84	310.71	7.51	-65.33
O=C([O-])C1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1Br	REAL300005928855	1	40	0.0	-80.36	348.60	8.07	-72.29
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C=C1	REAL300005928856	0	43	0.0	-83.91	365.84	10.31	-73.60
CCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928871	0	36	0.0	-77.01	304.74	7.39	-69.62
CCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928871	1	36	0.0	-76.97	304.73	7.39	-69.58
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1CCC1	REAL300005928892	0	37	0.0	-74.17	311.60	7.95	-66.22
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1CCC1	REAL300005928892	1	37	0.0	-74.59	311.74	7.97	-66.62
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)CC(C)(C)C	REAL300005928912	0	42	0.0	-76.60	333.96	8.38	-68.22
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)CC(C)(C)C	REAL300005928912	1	42	0.0	-76.34	336.06	8.55	-67.79
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928914	0	43	0.0	-80.76	364.64	10.40	-70.36
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928914	1	43	0.0	-80.77	364.64	10.41	-70.36
CC[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[NH+](C)C	REAL300005928917	0	36	0.0	-71.98	295.21	6.99	-64.99
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005928919	0	41	0.0	-71.83	325.91	6.05	-65.78
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005928919	1	41	0.0	-71.52	335.59	6.24	-65.28
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928939	0	45	0.0	-78.25	369.23	9.73	-68.52
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005928939	1	45	0.0	-78.24	369.23	9.73	-68.51
O=C([O-])C1=CC=C(NC(=O)C23CCC[NH+]2CCC3)C=C1Br	REAL300005928950	0	38	0.0	-75.32	309.75	7.91	-67.41
O=C([O-])C1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1Br	REAL300005928958	1	32	0.0	-82.08	295.87	9.49	-72.59
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1CCSC1	REAL300005928968	1	38	0.0	-82.08	324.99	8.20	-73.88
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1CCSC1	REAL300005928968	1	38	0.0	-81.42	324.77	8.22	-73.20
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005928983	0	48	0.0	-75.14	380.85	7.14	-68.00
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005928983	1	48	0.0	-79.56	377.35	6.94	-72.62
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1Br	REAL300005928984	0	41	0.0	-73.32	321.78	8.53	-64.79
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1Br	REAL300005928984	1	41	0.0	-68.98	330.16	8.79	-60.19
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300005928985	0	40	0.0	-82.39	349.83	7.47	-74.92
CCCC(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[NH+](C)C	REAL300005929010	0	39	0.0	-75.00	316.12	7.76	-67.24
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300005929023	0	40	0.0	-85.81	349.88	7.48	-78.33
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929024	0	40	0.0	-79.63	339.23	7.88	-71.75
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC[N@@H+]1C	REAL300005929027	0	37	0.0	-79.04	303.01	7.12	-71.92
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC[N@H+]1C	REAL300005929027	1	37	0.0	-76.82	307.57	7.33	-69.49
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929029	1	41	0.0	-70.70	351.48	9.17	-61.53
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC[N@@H+]1C	REAL300005929032	0	40	0.0	-78.26	322.46	7.61	-70.65
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC[N@H+]1C	REAL300005929032	1	40	0.0	-76.93	327.53	8.00	-68.93
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)=NN1	REAL300005929034	1	41	0.0	-81.94	351.02	7.05	-74.89
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)=NN1	REAL300005929034	1	41	0.0	-81.77	351.41	7.03	-74.74
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)O1	REAL300005929040	1	38	0.0	-87.69	317.06	7.05	-80.64
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)O1	REAL300005929040	1	38	0.0	-87.74	316.54	6.65	-81.09
O=C([O-])C1=CC=C(NC(=O)C[NH+]2CCCC2)C=C1Br	REAL300005929046	1	34	0.0	-76.09	290.98	7.10	-68.99
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929048	1	32	0.0	-71.81	294.93	7.59	-64.22
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929050	0	41	0.0	-78.89	337.07	6.68	-72.21
CC1CC[NH+](CC(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005929069	0	40	0.0	-78.17	328.40	8.46	-69.71
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005929080	1	38	0.0	-86.64	320.33	6.99	-79.65
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005929080	1	38	0.0	-77.59	313.25	6.81	-70.78
O=C([O-])C1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1Br	REAL300005929110	0	47	0.0	-76.91	370.24	9.83	-67.08
O=C([O-])C1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1Br	REAL300005929110	1	47	0.0	-75.39	370.82	9.89	-65.50
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929115	0	40	0.0	-79.10	332.61	8.47	-70.63
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929115	1	40	0.0	-75.89	327.45	8.00	-67.89
O=C([O-])C1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1Br	REAL300005929125	0	41	0.0	-75.64	323.00	8.15	-67.49
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929127	1	38	0.0	-80.56	313.45	4.09	-76.47
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929127	1	38	0.0	-80.89	312.44	3.92	-76.97
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1Br	REAL300005929128	0	41	0.0	-72.20	326.18	8.46	-63.74
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1Br	REAL300005929128	1	41	0.0	-71.00	333.31	8.89	-62.11
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929135	0	44	0.0	-74.61	346.22	7.02	-67.59
CC[NH+](CC)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929150	0	36	0.0	-75.49	300.92	7.31	-68.18
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005929152	0	43	0.0	-78.90	343.93	8.81	-70.09
O=C([O-])C1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C=C1Br	REAL300005929228	0	35	0.0	-79.14	297.14	6.51	-72.63
CCC(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[NH+](C)C	REAL300005929231	0	36	0.0	-73.26	294.04	7.04	-66.22
O=C([O-])C1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C=C1Br	REAL300005929239	0	38	0.0	-76.75	307.44	7.17	-69.58
O=C([O-])C1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=C1Br	REAL300005929239	1	38	0.0	-77.67	306.55	7.18	-70.49
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929279	0	40	0.0	-72.24	322.81	7.84	-64.40
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300005929280	0	40	0.0	-78.31	343.35	9.46	-68.85
C[NH+](C)C1(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CCC1	REAL300005929310	0	37	0.0	-78.69	296.37	7.45	-71.24
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005929332	0	39	0.0	-81.09	334.53	8.77	-72.32
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929334	0	43	0.0	-70.98	346.07	8.99	-61.99
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929334	1	43	0.0	-72.89	337.02	8.78	-64.11
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929335	0	40	0.0	-62.42	336.33	9.72	-52.70
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005929337	0	45	0.0	-76.59	363.61	6.59	-70.00
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005929337	1	45	0.0	-79.45	364.11	6.62	-72.83
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929338	0	36	0.0	-73.95	299.92	7.16	-66.79
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929338	1	36	0.0	-73.97	299.92	7.16	-66.81
CC(C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[NH+]1CCCCC1	REAL300005929339	0	46	0.0	-72.97	354.97	9.98	-62.99
C[NH+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1=CC=CC=C1	REAL300005929340	1	40	0.0	-72.63	340.25	9.45	-63.18
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929346	1	41	0.0	-70.26	350.90	9.12	-61.14
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1Br	REAL300005929352	0	44	0.0	-77.05	341.93	9.07	-67.98
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1Br	REAL300005929352	1	44	0.0	-76.12	343.91	9.26	-66.86
CC[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1CC1	REAL300005929354	0	37	0.0	-73.37	314.10	7.99	-65.38
CC[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)C1CC1	REAL300005929354	1	37	0.0	-73.96	310.90	7.99	-65.97
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[NH+]1CCCCCC1	REAL300005929370	0	43	0.0	-71.58	335.45	8.40	-63.18
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929373	0	34	0.0	-72.31	291.10	7.01	-65.30
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929373	1	34	0.0	-74.98	285.54	6.52	-68.46
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929431	0	36	0.0	-75.83	304.45	5.70	-70.13
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)O1	REAL300005929432	0	43	0.0	-78.28	364.44	9.14	-69.14
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1Br	REAL300005929433	0	43	0.0	-77.46	356.83	9.28	-68.18
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)CC1=CC=CC=C1	REAL300005929435	1	40	0.0	-81.75	342.16	9.55	-72.20
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)CC1=CC=CC=C1	REAL300005929435	1	40	0.0	-81.79	342.21	9.56	-72.23
CC(C)[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1)[NH+](C)C	REAL300005929443	0	39	0.0	-73.73	311.07	7.45	-66.28
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)=NO1	REAL300005929476	1	36	0.0	-81.73	323.27	6.95	-74.78
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929488	0	40	0.0	-73.79	317.52	8.03	-65.76
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929488	1	40	0.0	-70.89	324.20	8.08	-62.81
C[NH+]1CCC(OCC(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005929507	0	41	0.0	-82.78	345.46	7.98	-74.80
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005929641	0	43	0.0	-69.41	342.89	9.21	-60.20
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005929641	1	43	0.0	-75.40	349.51	8.98	-66.42
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929662	0	43	0.0	-73.26	344.23	8.63	-64.63
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300005929662	1	43	0.0	-72.24	349.84	9.05	-63.19
O=C([O-])C1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1Br	REAL300005929663	1	41	0.0	-79.03	339.24	5.14	-73.89
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005929838	0	43	0.0	-68.51	338.04	8.98	-59.53
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005929838	1	43	0.0	-68.64	337.91	8.94	-59.70
C[N@@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C(C(F)(F)F)C1	REAL300005929839	0	37	0.0	-85.37	329.15	7.71	-77.66
C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C(C(F)(F)F)C1	REAL300005929839	1	37	0.0	-82.12	321.95	7.60	-74.52
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)N1	REAL300005929862	1	38	0.0	-72.22	335.74	7.25	-64.97
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300005930224	0	43	0.0	-78.86	365.84	10.30	-68.56
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005930336	0	37	0.0	-76.75	315.08	7.69	-69.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300005930340	0	43	0.0	-70.40	338.08	8.65	-61.75
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005930392	0	46	0.0	-76.53	366.44	9.68	-66.85
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005930392	1	46	0.0	-76.53	366.44	9.68	-66.85
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005930393	0	40	0.0	-69.67	321.29	8.43	-61.24
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005930393	1	40	0.0	-69.67	321.29	8.43	-61.24
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005930398	0	37	0.0	-76.36	309.86	7.57	-68.79
C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005930398	1	37	0.0	-76.36	309.86	7.57	-68.79
CN(C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)O1	REAL300005930400	0	37	0.0	-81.29	328.91	7.68	-73.61
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)O1	REAL300005930400	1	37	0.0	-81.29	328.91	7.68	-73.61
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005930406	0	46	0.0	-77.84	355.56	9.08	-68.76
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300005930406	1	46	0.0	-77.84	355.56	9.08	-68.76
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1Br	REAL300005930409	0	39	0.0	-72.60	323.25	8.69	-63.91
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1Br	REAL300005930409	1	39	0.0	-77.07	322.08	8.97	-68.10
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1Br	REAL300005930409	1	39	0.0	-77.07	322.08	8.97	-68.10
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC3=NC=CC=C3Cl)CC2)C1	REAL300005930511	0	51	0.0	-49.95	399.95	9.42	-40.53
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC3=NC=CC=C3Cl)CC2)C1	REAL300005930511	1	51	0.0	-49.95	399.95	9.42	-40.53
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300005930590	0	46	0.0	-47.79	355.12	8.63	-39.16
CC1(C)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS1(=O)=O	REAL300005930696	0	49	0.0	-61.58	374.72	4.34	-57.24
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN3N=CC(Cl)=C3C2)C1	REAL300005930816	0	41	0.0	-51.51	331.37	7.13	-44.38
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3CCCCCC3C2)C1	REAL300005930925	0	53	0.0	-46.15	370.83	10.34	-35.81
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3CCCCCC3C2)C1	REAL300005930925	1	53	0.0	-46.15	370.83	10.34	-35.81
O=C([O-])C1CCC[N@H+](CC(=O)NCCN2C=C(C3CCOC3)C=N2)C1	REAL300005931044	0	51	0.0	-55.80	396.06	6.02	-49.78
O=C([O-])C1CCC[N@@H+](CC(=O)NCCN2C=C(C3CCOC3)C=N2)C1	REAL300005931044	1	51	0.0	-57.24	389.85	6.00	-51.24
CN(CC1CC(F)(F)C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005931129	0	43	0.0	-49.41	334.67	8.70	-40.71
CN(CC1CC(F)(F)C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005931129	1	43	0.0	-50.30	334.55	8.71	-41.59
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931157	1	44	0.0	-81.21	361.84	9.46	-71.75
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931157	1	44	0.0	-81.24	370.89	10.22	-71.02
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931158	1	48	0.0	-88.21	394.23	9.70	-78.51
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931158	1	48	0.0	-88.05	402.58	10.41	-77.64
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931159	1	44	0.0	-91.56	361.83	9.45	-82.11
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931159	1	44	0.0	-91.65	370.91	10.20	-81.45
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931161	1	43	0.0	-64.52	361.27	7.71	-56.81
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931161	1	43	0.0	-65.07	369.59	8.42	-56.65
C[N@@H+]1CC[C@@H](NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931162	1	50	0.0	-84.96	409.08	10.92	-74.04
C[N@H+]1CC[C@@H](NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931162	1	50	0.0	-84.88	417.48	11.65	-73.23
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=NC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931163	1	43	0.0	-94.25	357.92	7.68	-86.57
C[N@H+]1CC[C@@H](NC(=O)C2=CC=NC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931163	1	43	0.0	-94.30	367.00	8.45	-85.85
C[N@@H+]1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931164	1	48	0.0	-85.10	396.35	10.64	-74.46
C[N@H+]1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931164	1	48	0.0	-85.13	405.98	11.34	-73.79
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931165	1	41	0.0	-66.99	349.59	7.82	-59.17
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931165	1	41	0.0	-67.31	357.91	8.54	-58.77
C[N@@H+]1CC[C@@H](NC(=O)CCC2=CC=CC=C2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931166	1	50	0.0	-71.99	398.53	10.62	-61.37
C[N@H+]1CC[C@@H](NC(=O)CCC2=CC=CC=C2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931166	1	50	0.0	-72.06	409.02	11.40	-60.66
C[N@@H+]1CC[C@@H](NC(=O)CC2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931167	1	47	0.0	-87.80	386.67	10.13	-77.67
C[N@H+]1CC[C@@H](NC(=O)CC2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931167	1	47	0.0	-90.89	395.47	10.89	-80.00
C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931168	1	41	0.0	-55.03	334.61	8.02	-47.01
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931168	1	41	0.0	-55.97	343.42	8.78	-47.19
C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931169	1	41	0.0	-55.03	334.61	8.02	-47.01
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931169	1	41	0.0	-55.97	343.42	8.78	-47.19
C[N@@H+]1CC[C@@H](NC(=O)C2CCCC(C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931170	1	50	0.0	-89.15	382.61	9.51	-79.64
C[N@H+]1CC[C@@H](NC(=O)C2CCCC(C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931170	1	50	0.0	-87.19	397.04	10.39	-76.80
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])N=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931171	1	43	0.0	-80.52	357.70	7.67	-72.85
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])N=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931171	1	43	0.0	-80.49	366.78	8.43	-72.06
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931172	1	43	0.0	-69.94	360.56	7.70	-62.24
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931172	1	43	0.0	-70.02	368.87	8.42	-61.60
C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931173	1	49	0.0	-78.76	372.34	8.87	-69.89
C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931173	1	49	0.0	-78.88	379.98	9.65	-69.23
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2F)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931174	1	44	0.0	-82.06	367.69	9.51	-72.55
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2F)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931174	1	44	0.0	-81.96	375.45	10.27	-71.69
C[N@@H+]1CC[C@@H](NC(=O)C2=CN=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931175	1	42	0.0	-72.09	354.82	5.86	-66.23
C[N@H+]1CC[C@@H](NC(=O)C2=CN=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931175	1	42	0.0	-72.20	363.88	6.63	-65.57
C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931176	1	50	0.0	-79.58	387.96	9.63	-69.95
C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931176	1	50	0.0	-80.12	396.97	10.47	-69.65
C[N@@H+]1CC[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931177	1	50	0.0	-80.26	389.17	9.67	-70.59
C[N@H+]1CC[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931177	1	50	0.0	-80.26	397.45	10.39	-69.87
C[N@@H+]1CC[C@@H](NC(=O)CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931178	1	47	0.0	-92.95	386.50	10.14	-82.81
C[N@H+]1CC[C@@H](NC(=O)CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931178	1	47	0.0	-93.00	395.44	10.91	-82.09
C[N@@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931179	1	43	0.0	-93.80	364.91	6.09	-87.71
C[N@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931179	1	43	0.0	-94.01	372.70	6.86	-87.15
CC1=NC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300005931180	1	46	0.0	-70.31	376.92	8.23	-62.08
CC1=NC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300005931180	1	46	0.0	-70.25	385.13	8.94	-61.31
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931181	1	44	0.0	-81.21	361.84	9.46	-71.75
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931181	1	44	0.0	-81.24	370.89	10.22	-71.02
C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931182	1	47	0.0	-85.53	369.05	9.01	-76.52
C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931182	1	47	0.0	-86.62	378.13	9.82	-76.80
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(CC(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931183	1	47	0.0	-83.30	385.34	10.19	-73.11
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(CC(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931183	1	47	0.0	-83.02	393.65	10.91	-72.11
C[N@@H+]1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])OC=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931184	1	44	0.0	-79.98	364.26	8.36	-71.62
C[N@H+]1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])OC=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931184	1	44	0.0	-80.13	373.43	9.13	-71.00
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(Cl)C=C1	REAL300005931185	1	47	0.0	-80.79	392.46	8.97	-71.82
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(Cl)C=C1	REAL300005931185	1	47	0.0	-55.22	400.19	9.76	-45.46
C[N@@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931186	1	43	0.0	-77.50	360.77	7.72	-69.78
C[N@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931186	1	43	0.0	-77.40	368.53	8.48	-68.92
C[N@@H+]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931187	1	45	0.0	-78.20	366.54	9.00	-69.20
C[N@H+]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931187	1	45	0.0	-78.62	374.77	9.73	-68.89
C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931188	1	44	0.0	-58.54	349.96	8.42	-50.12
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931188	1	44	0.0	-58.07	357.61	9.20	-48.87
C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931189	1	43	0.0	-81.75	341.93	8.67	-73.08
C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931189	1	43	0.0	-81.54	350.55	9.47	-72.07
C[N@@H+]1CC[C@@H](NC(=O)CC2CCC(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931190	1	53	0.0	-74.98	398.31	10.13	-64.85
C[N@H+]1CC[C@@H](NC(=O)CC2CCC(C(=O)[O-])CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931190	1	53	0.0	-72.50	408.56	10.93	-61.57
C[N@@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)C3)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931191	1	51	0.0	-74.36	396.97	9.83	-64.53
C[N@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)C3)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931191	1	51	0.0	-76.27	404.44	10.59	-65.68
C[N@@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931192	1	54	0.0	-83.19	406.73	10.34	-72.85
C[N@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931192	1	54	0.0	-83.43	414.39	11.13	-72.30
C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931193	1	49	0.0	-78.76	372.34	8.87	-69.89
C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931193	1	49	0.0	-78.88	379.98	9.65	-69.23
C[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931194	1	43	0.0	-81.64	348.62	8.06	-73.58
C[N@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931194	1	43	0.0	-81.69	357.71	8.83	-72.86
CC(CC(=O)[O-])CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(Cl)C=C1	REAL300005931195	1	46	0.0	-80.99	370.23	9.27	-71.72
CC(CC(=O)[O-])CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(Cl)C=C1	REAL300005931195	1	46	0.0	-80.94	361.26	8.52	-72.42
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931196	1	46	0.0	-79.88	385.04	8.75	-71.13
C[N@H+]1CC[C@@H](NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931196	1	46	0.0	-78.56	392.76	9.51	-69.05
C[N@@H+]1CC[C@@H](NC(=O)C2=NOC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931197	1	40	0.0	-68.36	343.97	7.00	-61.36
C[N@H+]1CC[C@@H](NC(=O)C2=NOC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931197	1	40	0.0	-67.66	351.73	7.79	-59.87
C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931198	1	47	0.0	-60.91	365.40	8.95	-51.96
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931198	1	47	0.0	-58.46	373.22	9.79	-48.67
CC1=C(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C2=CC=C(Cl)C=C2)C=C(C(=O)[O-])O1	REAL300005931199	1	44	0.0	-70.81	365.14	8.61	-62.20
CC1=C(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C2=CC=C(Cl)C=C2)C=C(C(=O)[O-])O1	REAL300005931199	1	44	0.0	-72.31	374.60	9.29	-63.02
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300005931200	1	44	0.0	-67.26	367.50	8.41	-58.85
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300005931200	1	44	0.0	-67.54	375.80	9.13	-58.41
C[N@@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931201	1	44	0.0	-89.35	369.81	7.58	-81.77
C[N@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931201	1	44	0.0	-89.46	377.60	8.36	-81.10
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C=CC(=O)[O-])O2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931202	1	45	0.0	-71.18	382.70	9.01	-62.17
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C=CC(=O)[O-])O2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931202	1	45	0.0	-71.43	391.02	9.73	-61.70
C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931203	1	51	0.0	-54.19	395.35	10.37	-43.82
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931203	1	51	0.0	-58.75	402.36	10.88	-47.87
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931204	1	48	0.0	-81.10	392.85	9.73	-71.37
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931204	1	48	0.0	-81.02	401.90	10.49	-70.53
C[N@@H+]1CC[C@@H](NC(=O)CCSCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931205	1	44	0.0	-77.69	373.01	8.63	-69.06
C[N@H+]1CC[C@@H](NC(=O)CCSCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931205	1	44	0.0	-77.55	380.64	9.42	-68.13
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931206	1	43	0.0	-69.94	360.56	7.70	-62.24
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931206	1	43	0.0	-70.02	368.87	8.42	-61.60
C[N@@H+]1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931207	1	41	0.0	-84.15	339.96	7.23	-76.92
C[N@H+]1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931207	1	41	0.0	-83.68	349.85	8.06	-75.62
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(Cl)C=C1	REAL300005931208	1	44	0.0	-76.61	373.35	7.88	-68.73
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(Cl)C=C1	REAL300005931208	1	44	0.0	-76.86	364.29	7.11	-69.75
C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C2=CC=C(Cl)C=C2)O[C@H]1C(=O)[O-]	REAL300005931209	1	48	0.0	-85.08	393.18	9.73	-75.35
C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C2=CC=C(Cl)C=C2)O[C@H]1C(=O)[O-]	REAL300005931209	1	48	0.0	-85.19	385.35	8.93	-76.26
C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931210	1	49	0.0	-84.46	381.04	8.99	-75.47
C[N@H+]1CC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931210	1	49	0.0	-84.40	389.35	9.71	-74.69
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(CC(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931211	1	47	0.0	-77.04	384.03	10.22	-66.82
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(CC(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931211	1	47	0.0	-76.85	393.07	10.98	-65.87
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931212	1	48	0.0	-82.84	393.92	10.75	-72.09
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931212	1	48	0.0	-86.22	402.97	11.49	-74.73
C[N@@H+]1CC[C@@H](NC(=O)C=CC2=CC(C(=O)[O-])=CO2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931213	1	45	0.0	-81.14	382.22	8.87	-72.27
C[N@H+]1CC[C@@H](NC(=O)C=CC2=CC(C(=O)[O-])=CO2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931213	1	45	0.0	-81.12	390.53	9.59	-71.53
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC=C2CCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931214	1	50	0.0	-85.52	397.89	10.97	-74.55
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC=C2CCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931214	1	50	0.0	-85.02	406.87	11.70	-73.32
C[N@@H+]1CC[C@@H](NC(=O)COCC2=C(C(=O)[O-])N=CO2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931215	1	47	0.0	-87.56	394.79	5.20	-82.36
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C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300005931226	1	44	0.0	-55.34	346.10	8.09	-47.25
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COC1=CC=CC([C@@H]2[C@@H](NC(=O)CC3=CC=CC(C(=O)[O-])=C3)CC[N@H+]2C2CC2)=C1	REAL300005931285	1	55	0.0	-80.87	436.86	10.95	-69.92
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])CC3)CC[N@@H+]2C2CC2)=C1	REAL300005931286	0	49	0.0	-49.79	381.36	8.24	-41.55
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])CC3)CC[N@H+]2C2CC2)=C1	REAL300005931286	1	49	0.0	-49.64	384.43	8.82	-40.82
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COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])CC3)CC[N@H+]2C2CC2)=C1	REAL300005931287	1	49	0.0	-49.64	384.43	8.82	-40.82
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CCCC(C(=O)[O-])C3)CC[N@@H+]2C2CC2)=C1	REAL300005931288	0	58	0.0	-81.57	427.74	9.76	-71.81
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CCCC(C(=O)[O-])C3)CC[N@H+]2C2CC2)=C1	REAL300005931288	1	58	0.0	-81.93	437.42	10.48	-71.45
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C(=O)[O-])N=C3)CC[N@@H+]2C2CC2)=C1	REAL300005931289	0	51	0.0	-75.50	404.57	7.92	-67.58
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C(=O)[O-])N=C3)CC[N@H+]2C2CC2)=C1	REAL300005931289	1	51	0.0	-75.11	407.98	8.51	-66.60
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C(=O)[O-])C=N3)CC[N@@H+]2C2CC2)=C1	REAL300005931290	0	51	0.0	-63.66	404.23	7.97	-55.69
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C(=O)[O-])C=N3)CC[N@H+]2C2CC2)=C1	REAL300005931290	1	51	0.0	-64.52	409.18	8.53	-55.99
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931291	0	57	0.0	-71.92	417.83	9.12	-62.80
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931291	1	57	0.0	-73.22	421.00	9.69	-63.53
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C(=O)[O-])C=C3F)CC[N@@H+]2C2CC2)=C1	REAL300005931292	0	52	0.0	-75.40	411.34	9.77	-65.63
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C(=O)[O-])C=C3F)CC[N@H+]2C2CC2)=C1	REAL300005931292	1	52	0.0	-76.00	416.33	10.34	-65.66
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CN=C(C(=O)[O-])C=N3)CC[N@@H+]2C2CC2)=C1	REAL300005931293	0	50	0.0	-65.31	399.58	6.09	-59.22
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CN=C(C(=O)[O-])C=N3)CC[N@H+]2C2CC2)=C1	REAL300005931293	1	50	0.0	-67.29	407.72	6.84	-60.45
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC[N@@H+]2C2CC2)=C1	REAL300005931294	0	58	0.0	-74.33	432.95	9.94	-64.39
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC[N@H+]2C2CC2)=C1	REAL300005931294	1	58	0.0	-73.50	436.98	10.50	-63.00
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CCC(C(=O)[O-])CC3)CC[N@@H+]2C2CC2)=C1	REAL300005931295	0	58	0.0	-73.06	431.39	9.89	-63.17
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CCC(C(=O)[O-])CC3)CC[N@H+]2C2CC2)=C1	REAL300005931295	1	58	0.0	-81.07	430.24	10.33	-70.74
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COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=C(CC(=O)[O-])OC=C3)CC[N@@H+]2C2CC2)=C1	REAL300005931302	0	52	0.0	-79.99	411.13	8.61	-71.38
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=C(CC(=O)[O-])OC=C3)CC[N@H+]2C2CC2)=C1	REAL300005931302	1	52	0.0	-77.21	414.53	9.21	-68.00
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=C(CC(=O)[O-])OC=C3C)CC[N@@H+]2C2CC2)=C1	REAL300005931303	0	55	0.0	-54.67	435.89	9.23	-45.44
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=C(CC(=O)[O-])OC=C3C)CC[N@H+]2C2CC2)=C1	REAL300005931303	1	55	0.0	-63.01	444.03	9.97	-53.04
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC(C(=O)[O-])=CC=N3)CC[N@@H+]2C2CC2)=C1	REAL300005931304	0	51	0.0	-70.82	404.19	7.97	-62.85
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC(C(=O)[O-])=CC=N3)CC[N@H+]2C2CC2)=C1	REAL300005931304	1	51	0.0	-71.75	412.34	8.71	-63.04
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C34CC(C(=O)[O-])(C3)C4)CC[N@@H+]2C2CC2)=C1	REAL300005931305	0	53	0.0	-72.08	410.24	9.27	-62.81
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C34CC(C(=O)[O-])(C3)C4)CC[N@H+]2C2CC2)=C1	REAL300005931305	1	53	0.0	-72.79	415.26	9.82	-62.97
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])CCC3)CC[N@@H+]2C2CC2)=C1	REAL300005931306	0	52	0.0	-51.31	395.50	8.68	-42.63
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])CCC3)CC[N@H+]2C2CC2)=C1	REAL300005931306	1	52	0.0	-49.89	398.63	9.24	-40.65
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C(C)(C)C(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931307	0	51	0.0	-74.56	388.44	8.94	-65.62
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C(C)(C)C(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931307	1	51	0.0	-75.50	391.77	9.51	-65.99
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C34CCC(C(=O)[O-])(CC3)C4)CC[N@@H+]2C2CC2)=C1	REAL300005931308	0	59	0.0	-81.57	442.41	10.07	-71.50
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C34CCC(C(=O)[O-])(CC3)C4)CC[N@H+]2C2CC2)=C1	REAL300005931308	1	59	0.0	-68.29	445.69	10.65	-57.64
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931309	0	57	0.0	-71.92	417.83	9.12	-62.80
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931309	1	57	0.0	-73.22	421.00	9.69	-63.53
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCCC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931310	0	51	0.0	-75.91	393.39	8.29	-67.62
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCCC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931310	1	51	0.0	-76.01	398.65	8.87	-67.14
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CC(C)CC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931311	0	54	0.0	-75.17	406.25	8.75	-66.42
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CC(C)CC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931311	1	54	0.0	-75.18	411.33	9.30	-65.88
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=NOC(C(=O)[O-])=C3)CC[N@@H+]2C2CC2)=C1	REAL300005931312	1	48	0.0	-63.12	385.52	7.05	-56.07
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=NOC(C(=O)[O-])=C3)CC[N@H+]2C2CC2)=C1	REAL300005931312	1	48	0.0	-62.87	392.71	7.83	-55.04
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])CCCC3)CC[N@@H+]2C2CC2)=C1	REAL300005931313	0	55	0.0	-50.55	410.98	9.36	-41.19
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])CCCC3)CC[N@H+]2C2CC2)=C1	REAL300005931313	1	55	0.0	-52.23	415.94	9.92	-42.31
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=C(C)OC(C(=O)[O-])=C3)CC[N@@H+]2C2CC2)=C1	REAL300005931314	0	52	0.0	-66.64	411.82	8.84	-57.80
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=C(C)OC(C(=O)[O-])=C3)CC[N@H+]2C2CC2)=C1	REAL300005931314	1	52	0.0	-66.81	417.86	9.58	-57.23
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC(C)=C(C(=O)[O-])O3)CC[N@@H+]2C2CC2)=C1	REAL300005931315	1	52	0.0	-59.06	410.94	8.67	-50.39
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC(C)=C(C(=O)[O-])O3)CC[N@H+]2C2CC2)=C1	REAL300005931315	1	52	0.0	-62.18	419.09	9.41	-52.77
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CN3C=C(C(=O)[O-])C=N3)CC[N@@H+]2C2CC2)=C1	REAL300005931316	0	52	0.0	-83.94	413.28	7.84	-76.10
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CN3C=C(C(=O)[O-])C=N3)CC[N@H+]2C2CC2)=C1	REAL300005931316	1	52	0.0	-83.42	418.88	8.42	-75.00
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C=CC(=O)[O-])O3)CC[N@@H+]2C2CC2)=C1	REAL300005931317	1	53	0.0	-65.88	428.24	9.29	-56.59
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C=CC(=O)[O-])O3)CC[N@H+]2C2CC2)=C1	REAL300005931317	1	53	0.0	-65.95	431.68	9.86	-56.09
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC[N@@H+]2C2CC2)=C1	REAL300005931318	0	59	0.0	-49.90	435.57	10.18	-39.72
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC[N@H+]2C2CC2)=C1	REAL300005931318	1	59	0.0	-55.99	442.21	11.03	-44.96
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCSCC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931319	0	52	0.0	-71.45	416.41	8.88	-62.57
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCSCC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931319	1	52	0.0	-72.05	421.68	9.47	-62.58
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C(=O)[O-])C=N3)CC[N@@H+]2C2CC2)=C1	REAL300005931320	0	51	0.0	-63.66	404.23	7.97	-55.69
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C(=O)[O-])C=N3)CC[N@H+]2C2CC2)=C1	REAL300005931320	1	51	0.0	-64.52	409.18	8.53	-55.99
COC1=CC=CC([C@@H]2[C@@H](NC(=O)COCC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931321	0	49	0.0	-77.32	385.75	7.55	-69.77
COC1=CC=CC([C@@H]2[C@@H](NC(=O)COCC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931321	1	49	0.0	-77.95	393.78	8.30	-69.65
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC(C(=O)[O-])=NN3C)CC[N@@H+]2C2CC2)=C1	REAL300005931322	0	52	0.0	-71.67	408.98	7.37	-64.30
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC(C(=O)[O-])=NN3C)CC[N@H+]2C2CC2)=C1	REAL300005931322	1	52	0.0	-72.04	414.27	7.93	-64.11
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)CC[N@@H+]2C2CC2)=C1	REAL300005931323	0	56	0.0	-80.36	428.92	9.19	-71.17
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)CC[N@H+]2C2CC2)=C1	REAL300005931323	1	56	0.0	-81.59	434.46	9.78	-71.81
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931324	0	57	0.0	-77.09	426.61	9.25	-67.84
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931324	1	57	0.0	-78.71	429.76	9.81	-68.90
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(CC(=O)[O-])C=C3)CC[N@@H+]2C2CC2)=C1	REAL300005931325	0	55	0.0	-73.59	430.84	10.48	-63.11
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(CC(=O)[O-])C=C3)CC[N@H+]2C2CC2)=C1	REAL300005931325	1	55	0.0	-73.01	433.99	11.04	-61.97
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C=CC3=CC(C(=O)[O-])=CO3)CC[N@@H+]2C2CC2)=C1	REAL300005931326	0	53	0.0	-75.00	425.90	9.14	-65.86
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C=CC3=CC(C(=O)[O-])=CO3)CC[N@H+]2C2CC2)=C1	REAL300005931326	1	53	0.0	-75.65	430.82	9.71	-65.94
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C=CC3=CC=C(C(=O)[O-])O3)CC[N@@H+]2C2CC2)=C1	REAL300005931327	0	53	0.0	-69.94	427.44	9.50	-60.44
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C=CC3=CC=C(C(=O)[O-])O3)CC[N@H+]2C2CC2)=C1	REAL300005931327	1	53	0.0	-70.55	432.38	10.07	-60.48
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC[N@@H+]2C2CC2)=C1	REAL300005931328	0	55	0.0	-81.75	417.13	9.24	-72.51
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC[N@H+]2C2CC2)=C1	REAL300005931328	1	55	0.0	-79.61	419.89	9.89	-69.72
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CC[N@@H+]2C2CC2)=C1	REAL300005931329	0	55	0.0	-86.87	424.79	10.25	-76.62
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CC[N@H+]2C2CC2)=C1	REAL300005931329	1	55	0.0	-85.88	432.00	10.91	-74.97
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CN=CC(C(=O)[O-])=C3)CC[N@@H+]2C2CC2)=C1	REAL300005931330	0	51	0.0	-76.90	401.75	7.89	-69.01
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CN=CC(C(=O)[O-])=C3)CC[N@H+]2C2CC2)=C1	REAL300005931330	1	51	0.0	-77.00	407.31	8.48	-68.52
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC(C(=O)[O-])=CN=C3C)CC[N@@H+]2C2CC2)=C1	REAL300005931331	0	54	0.0	-60.27	418.01	8.57	-51.70
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC(C(=O)[O-])=CN=C3C)CC[N@H+]2C2CC2)=C1	REAL300005931331	1	54	0.0	-61.38	426.19	9.30	-52.08
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CN3C=CC(C(=O)[O-])=N3)CC[N@@H+]2C2CC2)=C1	REAL300005931332	0	52	0.0	-93.95	412.68	7.86	-86.09
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CN3C=CC(C(=O)[O-])=N3)CC[N@H+]2C2CC2)=C1	REAL300005931332	1	52	0.0	-92.11	418.20	8.47	-83.64
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3CC[C@H]3C(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931333	0	52	0.0	-65.42	393.66	8.66	-56.76
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3CC[C@H]3C(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931333	1	52	0.0	-66.54	400.41	9.13	-57.41
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3CC[C@H]3C(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931334	0	52	0.0	-65.42	393.66	8.66	-56.76
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3CC[C@H]3C(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931334	1	52	0.0	-66.54	400.41	9.13	-57.41
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931335	0	49	0.0	-62.86	383.67	8.13	-54.73
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931335	1	49	0.0	-67.67	386.94	8.73	-58.94
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=C(C)C=C(C(=O)[O-])O3)CC[N@@H+]2C2CC2)=C1	REAL300005931336	1	52	0.0	-62.01	412.92	8.78	-53.23
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=C(C)C=C(C(=O)[O-])O3)CC[N@H+]2C2CC2)=C1	REAL300005931336	1	52	0.0	-62.12	416.08	9.34	-52.78
CCC(C(=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1C1=CC=CC(OC)=C1	REAL300005931337	0	51	0.0	-53.89	391.64	8.13	-45.76
CCC(C(=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1C1=CC=CC(OC)=C1	REAL300005931337	1	51	0.0	-56.37	391.81	8.79	-47.58
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C(C(=O)[O-])C(C)C)CC[N@@H+]2C2CC2)=C1	REAL300005931338	0	54	0.0	-57.17	407.47	8.69	-48.48
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C(C(=O)[O-])C(C)C)CC[N@H+]2C2CC2)=C1	REAL300005931338	1	54	0.0	-56.42	407.43	9.36	-47.06
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931339	0	58	0.0	-77.67	418.02	10.23	-67.44
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931339	1	58	0.0	-76.69	425.18	11.03	-65.66
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300005931340	0	49	0.0	-68.02	385.03	8.22	-59.80
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300005931340	1	49	0.0	-68.66	388.21	8.79	-59.87
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CC4(CC4C(=O)[O-])C3)CC[N@@H+]2C2CC2)=C1	REAL300005931341	0	56	0.0	-80.92	432.48	10.10	-70.82
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CC4(CC4C(=O)[O-])C3)CC[N@H+]2C2CC2)=C1	REAL300005931341	1	56	0.0	-69.76	435.97	10.69	-59.07
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC[N@@H+]2C2CC2)=C1	REAL300005931342	0	52	0.0	-78.83	400.82	8.69	-70.14
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC[N@H+]2C2CC2)=C1	REAL300005931342	1	52	0.0	-77.65	403.95	9.25	-68.40
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)CC[N@@H+]2C2CC2)=C1	REAL300005931343	0	58	0.0	-80.69	437.54	10.85	-69.84
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)CC[N@H+]2C2CC2)=C1	REAL300005931343	1	58	0.0	-79.89	444.50	10.62	-69.27
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC(C(=O)[O-])=CC=C3C)CC[N@@H+]2C2CC2)=C1	REAL300005931344	0	55	0.0	-62.14	424.49	10.37	-51.77
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3=CC(C(=O)[O-])=CC=C3C)CC[N@H+]2C2CC2)=C1	REAL300005931344	1	55	0.0	-62.34	427.87	10.93	-51.41
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CC(C)(C(=O)[O-])C3)CC[N@@H+]2C2CC2)=C1	REAL300005931345	0	55	0.0	-65.87	417.85	9.11	-56.76
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CC(C)(C(=O)[O-])C3)CC[N@H+]2C2CC2)=C1	REAL300005931345	1	55	0.0	-75.63	422.25	9.73	-65.90
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CC[N@H+](C)C(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300005934862	0	53	0.0	-62.18	392.31	11.75	-50.43
CC[N@@H+](C)C(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300005934862	1	53	0.0	-61.71	390.69	11.71	-50.00
CC[NH+](CC)C(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300005934867	0	56	0.0	-73.34	401.62	12.05	-61.29
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005934874	1	48	0.0	-69.54	374.18	10.62	-58.92
C[NH+](C)C(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300005934878	1	50	0.0	-72.11	389.69	11.57	-60.54
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300005934891	0	54	0.0	-78.85	407.03	12.12	-66.73
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300005934898	0	57	0.0	-70.96	424.74	12.86	-58.10
CCC(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)[N@@H+]1CCOC(CC)C1	REAL300005934901	1	57	0.0	-71.46	398.20	9.63	-61.83
CCC(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)[N@H+]1CCOC(CC)C1	REAL300005934901	1	57	0.0	-66.26	409.46	9.81	-56.45
CCN1CCC([NH+]2CCC(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)CC2)CC1	REAL300005934904	0	65	0.0	-73.62	457.07	10.53	-63.09
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300005934924	1	58	0.0	-82.35	428.79	11.89	-70.46
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300005934924	1	58	0.0	-84.36	428.77	11.91	-72.45
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300005934939	0	57	0.0	-68.44	420.95	12.92	-55.52
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300005934939	1	57	0.0	-62.44	420.86	12.91	-49.53
CC1=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300005934941	1	48	0.0	-82.85	379.81	9.39	-73.46
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300005934949	0	57	0.0	-78.92	424.35	12.88	-66.04
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300005934962	1	50	0.0	-78.48	386.14	10.31	-68.17
C[NH+](C)CCC1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C=C1	REAL300005934963	0	53	0.0	-85.90	405.90	11.88	-74.02
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005934975	1	46	0.0	-63.61	357.80	8.49	-55.12
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300005934976	1	55	0.0	-85.56	407.82	11.49	-74.07
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300005934976	1	55	0.0	-89.49	414.39	11.65	-77.84
CC(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005934988	0	63	0.0	-69.01	461.17	14.25	-54.76
CC(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)[NH+]1CCSCC1	REAL300005935034	1	48	0.0	-74.37	362.60	9.81	-64.56
C[N@H+](CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)CC(C)(C)C	REAL300005935040	0	52	0.0	-74.25	372.66	10.24	-64.01
C[N@@H+](CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)CC(C)(C)C	REAL300005935040	1	52	0.0	-74.28	374.99	10.41	-63.87
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935042	0	53	0.0	-78.27	403.98	12.28	-65.99
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935042	1	53	0.0	-78.11	403.93	12.28	-65.83
COCCOCC[N@H+](C)CCC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935043	0	57	0.0	-77.97	432.96	8.50	-69.47
COCCOCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935043	1	57	0.0	-78.04	432.99	8.53	-69.51
C[N@@H+]1CCCC(O)(CC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005935047	0	51	0.0	-69.12	365.34	8.03	-61.09
C[N@H+]1CCCC(O)(CC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005935047	1	51	0.0	-68.64	375.02	8.23	-60.41
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300005935064	0	62	0.0	-82.25	459.12	12.04	-70.21
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300005935065	1	56	0.0	-72.17	416.19	11.18	-60.99
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300005935065	1	56	0.0	-74.58	409.09	10.88	-63.70
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300005935066	1	56	0.0	-78.13	409.11	10.88	-67.25
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300005935066	1	56	0.0	-66.56	415.82	11.14	-55.42
CCCCCC[N@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935068	0	55	0.0	-75.15	409.31	11.61	-63.54
CCCCCC[N@@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935068	1	55	0.0	-75.71	408.57	11.60	-64.11
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300005935078	0	48	0.0	-70.36	342.62	9.21	-61.15
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300005935086	1	42	0.0	-81.60	339.68	11.26	-70.34
C[N@H+](CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)C1CCSC1	REAL300005935103	0	48	0.0	-78.19	365.65	10.06	-68.13
C[N@@H+](CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)C1CCSC1	REAL300005935103	1	48	0.0	-79.52	364.17	10.09	-69.43
CC(C)[NH+]1CCN(CCC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005935118	0	58	0.0	-75.43	420.15	9.07	-66.36
CC(C)N1CC[NH+](CCC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005935118	1	58	0.0	-78.06	419.99	9.10	-68.96
CC(C)[NH+]1CCN(CCCC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005935119	0	61	0.0	-75.19	441.65	9.87	-65.32
CC(C)N1CC[NH+](CCCC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005935119	1	61	0.0	-77.81	438.17	9.67	-68.14
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300005935120	0	51	0.0	-70.81	357.26	9.90	-60.91
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300005935120	1	51	0.0	-60.66	369.36	10.49	-50.17
C[NH+](C)CCN1C=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C=N1	REAL300005935122	0	50	0.0	-81.96	387.25	9.03	-72.93
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)CC2)=C1	REAL300005935130	0	62	0.0	-76.07	459.03	11.89	-64.18
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300005935132	0	59	0.0	-82.31	437.63	11.24	-71.07
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300005935135	0	56	0.0	-74.79	420.28	11.18	-63.61
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300005935135	1	56	0.0	-71.73	412.31	11.32	-60.41
CC(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005935140	0	54	0.0	-73.37	399.45	12.16	-61.21
CC(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005935140	1	54	0.0	-74.58	398.26	12.15	-62.43
CCC(CC)C(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300005935157	1	60	0.0	-70.63	405.56	10.03	-60.60
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005935164	0	57	0.0	-75.73	429.73	13.12	-62.61
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005935164	1	57	0.0	-75.97	430.13	13.08	-62.89
C[NH+](C)CCN1C=CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=N1	REAL300005935180	0	50	0.0	-79.24	386.43	9.65	-69.59
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935181	0	50	0.0	-69.07	381.58	9.03	-60.04
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935187	1	51	0.0	-70.18	390.81	11.11	-59.07
CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC[N@@H+]1C	REAL300005935190	0	50	0.0	-78.91	357.53	9.39	-69.52
CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC[N@H+]1C	REAL300005935190	1	50	0.0	-75.91	363.06	9.85	-66.06
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=NN1	REAL300005935193	1	51	0.0	-83.29	387.74	9.22	-74.07
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=NN1	REAL300005935193	1	51	0.0	-79.92	380.50	8.65	-71.27
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935194	0	46	0.0	-63.18	349.83	9.59	-53.59
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935194	1	46	0.0	-65.52	352.72	9.93	-55.59
CC1C[N@H+](C)CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)O1	REAL300005935202	1	48	0.0	-75.91	352.10	8.67	-67.24
CC1C[N@@H+](C)CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)O1	REAL300005935202	1	48	0.0	-82.11	352.69	8.67	-73.44
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300005935208	0	57	0.0	-83.00	432.28	13.03	-69.97
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300005935208	1	57	0.0	-73.55	422.79	13.08	-60.47
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300005935209	1	53	0.0	-68.82	402.02	10.71	-58.11
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300005935209	1	53	0.0	-68.00	404.53	10.57	-57.43
CC(C[NH+]1CCOCC1)C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935214	0	51	0.0	-77.90	374.63	8.37	-69.53
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1	REAL300005935215	0	58	0.0	-76.28	435.38	10.64	-65.64
CC1CC[NH+](CC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005935225	0	50	0.0	-74.85	367.43	10.32	-64.53
CC[N@@H+]1CCOC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005935240	1	48	0.0	-79.63	348.61	8.57	-71.06
CC[N@H+]1CCOC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005935240	1	48	0.0	-70.80	355.36	8.73	-62.07
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300005935280	0	57	0.0	-68.68	406.11	11.59	-57.09
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300005935280	1	57	0.0	-67.50	406.46	11.62	-55.88
C[N@@H+]1CCCC1CCC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935287	0	50	0.0	-80.67	368.49	10.25	-70.42
C[N@H+]1CCCC1CCC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935287	1	50	0.0	-75.90	366.73	9.92	-65.98
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300005935300	0	51	0.0	-77.25	353.39	9.53	-67.72
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935304	0	48	0.0	-71.95	344.05	5.18	-66.77
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935304	1	48	0.0	-79.98	341.81	5.56	-74.42
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300005935305	0	51	0.0	-71.33	364.55	10.31	-61.02
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300005935305	1	51	0.0	-68.94	369.84	10.63	-58.31
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935313	0	54	0.0	-76.73	378.56	8.44	-68.29
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C=N1	REAL300005935318	0	57	0.0	-89.97	421.99	10.11	-79.86
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C=N1	REAL300005935318	1	57	0.0	-89.43	430.81	10.63	-78.80
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)=C2)CC1	REAL300005935323	0	59	0.0	-80.97	441.48	10.45	-70.52
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)C=C2)CC1	REAL300005935324	0	59	0.0	-83.02	442.81	10.50	-72.52
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)C=C2)CC1	REAL300005935324	1	59	0.0	-86.64	440.58	10.31	-76.33
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C=C1	REAL300005935325	0	60	0.0	-83.83	441.04	11.82	-72.01
CC(C)[NH+]1CCC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005935333	0	53	0.0	-72.49	383.02	10.60	-61.89
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300005935420	0	48	0.0	-76.16	339.15	8.72	-67.44
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300005935420	1	48	0.0	-84.60	335.41	8.58	-76.02
CC1CCC(C)[NH+]1CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935473	0	50	0.0	-70.70	361.91	9.85	-60.85
C[NH+](C)CC1=CC=CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=C1	REAL300005935474	0	50	0.0	-77.40	383.36	11.04	-66.36
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005935475	0	57	0.0	-73.53	417.56	13.09	-60.44
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005935475	1	57	0.0	-75.68	425.20	12.92	-62.76
C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005935545	0	49	0.0	-75.90	373.06	10.58	-65.32
CCC[N@@H+]1CCCCC1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935547	0	53	0.0	-67.85	376.46	10.45	-57.40
CCC[N@H+]1CCCCC1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935547	1	53	0.0	-65.29	384.57	10.80	-54.49
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935548	0	50	0.0	-72.42	379.86	11.03	-61.39
CC[NH+]1CCN(CCC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005935550	0	55	0.0	-79.35	401.77	8.36	-70.99
CCN1CC[NH+](CCC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005935550	1	55	0.0	-77.68	401.77	8.38	-69.30
CC(C)C(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300005935552	0	56	0.0	-71.60	385.35	11.35	-60.25
C[NH+](C)C(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300005935553	1	50	0.0	-63.56	372.92	11.04	-52.52
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005935557	0	55	0.0	-66.42	415.52	9.23	-57.19
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005935557	1	55	0.0	-72.42	416.22	9.25	-63.17
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935563	1	51	0.0	-70.35	394.50	11.18	-59.17
C[NH+](C)CC1=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300005935564	0	53	0.0	-66.57	406.76	11.61	-54.96
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300005935570	0	54	0.0	-74.45	381.80	11.16	-63.29
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300005935570	1	54	0.0	-67.32	380.12	11.29	-56.03
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC1	REAL300005935599	1	55	0.0	-68.27	413.94	12.62	-55.65
CC(C)C(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300005935600	1	60	0.0	-72.70	414.17	9.57	-63.13
CC(C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)[NH+]1CCCCCC1	REAL300005935601	0	53	0.0	-64.82	372.44	10.27	-54.55
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)=CC=C1N2	REAL300005935639	1	55	0.0	-81.12	418.50	11.44	-69.68
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)=CC=C1N2	REAL300005935639	1	55	0.0	-81.36	418.50	11.45	-69.91
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)O1	REAL300005935695	0	53	0.0	-73.95	397.44	10.69	-63.26
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300005935696	0	53	0.0	-72.16	395.13	11.13	-61.03
CC1=CC=C(N2CCC(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300005935698	1	56	0.0	-69.26	417.13	10.62	-58.64
C[N@H+](CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300005935699	1	50	0.0	-78.67	381.45	11.44	-67.23
C[N@@H+](CC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300005935699	1	50	0.0	-72.56	381.48	11.42	-61.14
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)C=C2)CC1	REAL300005935703	0	62	0.0	-82.02	451.48	11.40	-70.62
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300005935722	1	45	0.0	-78.88	361.18	8.96	-69.92
C[NH+](C)CC1=CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=NO1	REAL300005935754	1	46	0.0	-80.51	360.00	9.13	-71.38
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935758	0	57	0.0	-76.88	424.14	13.12	-63.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935758	1	57	0.0	-86.07	426.88	12.71	-73.36
CC(C)[N@@H+]1CCCC1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935777	0	50	0.0	-66.77	354.97	10.18	-56.59
CC(C)[N@H+]1CCCC1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005935777	1	50	0.0	-69.10	364.41	9.77	-59.33
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C=C1	REAL300005935784	0	58	0.0	-77.71	446.15	12.31	-65.40
C[NH+]1CCC(OCC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005935805	0	51	0.0	-77.66	384.77	10.00	-67.66
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300005935810	0	54	0.0	-83.14	406.98	11.45	-71.69
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300005935855	0	56	0.0	-81.60	416.89	10.96	-70.64
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300005935855	1	56	0.0	-78.83	414.75	10.84	-67.99
CCC[N@@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005936007	0	53	0.0	-76.40	388.85	10.81	-65.59
CCC[N@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005936007	1	53	0.0	-68.85	380.15	10.93	-57.92
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005936040	0	53	0.0	-70.97	382.36	10.49	-60.48
CC(C)C[N@H+]1CCCC1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005936040	1	53	0.0	-72.85	376.14	11.00	-61.85
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300005936041	0	51	0.0	-75.77	378.25	7.02	-68.75
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300005936143	0	58	0.0	-84.74	428.67	12.99	-71.75
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300005936143	1	58	0.0	-85.23	429.40	13.04	-72.19
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300005936184	1	57	0.0	-76.76	420.37	12.69	-64.07
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300005936184	1	57	0.0	-73.98	427.57	13.00	-60.98
CC(C)[N@@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005936281	0	53	0.0	-76.70	374.20	10.44	-66.26
CC(C)[N@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005936281	1	53	0.0	-67.63	383.07	10.55	-57.08
C[N@@H+]1CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300005936282	0	47	0.0	-77.94	355.96	9.46	-68.48
C[N@H+]1CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300005936282	1	47	0.0	-83.79	356.39	9.88	-73.91
CC1=C(C)[NH+]=C(CCC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)N1	REAL300005936306	1	48	0.0	-70.81	375.04	9.18	-61.63
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=C1	REAL300005936811	0	53	0.0	-78.64	405.90	11.88	-66.76
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C=C1	REAL300005936819	0	54	0.0	-82.24	413.24	10.82	-71.42
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300005936920	0	60	0.0	-78.80	444.24	13.80	-65.00
CC1CN(CC2=CC=C(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)C=C2)CCO1	REAL300005936922	0	58	0.0	-79.67	430.71	11.21	-68.46
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)C=C2)CCO1	REAL300005936922	1	58	0.0	-88.76	436.36	11.21	-77.55
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)C=C2)CCO1	REAL300005936922	1	58	0.0	-88.76	436.36	11.21	-77.55
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300005936969	0	53	0.0	-71.90	373.63	10.29	-61.61
CC1=[NH+]C=C2C=CC(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)=CN21	REAL300005936973	0	45	0.0	-76.16	360.97	10.98	-65.18
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005937037	0	56	0.0	-74.66	402.97	11.34	-63.32
CC(C)C[N@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005937037	1	56	0.0	-68.64	396.23	11.56	-57.08
CC[N@@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005937038	0	50	0.0	-76.29	366.58	10.05	-66.24
CC[N@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005937038	1	50	0.0	-67.47	366.49	10.03	-57.44
C[NH+](C)CC1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)O1	REAL300005937044	1	47	0.0	-74.93	365.28	9.51	-65.42
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005937050	0	56	0.0	-85.41	381.08	9.94	-75.47
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C1	REAL300005937050	1	56	0.0	-70.89	379.84	9.86	-61.03
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300005937053	0	49	0.0	-62.87	362.49	10.20	-52.67
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300005937053	1	49	0.0	-71.66	359.94	10.30	-61.36
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005938491	0	58	0.0	-64.96	414.08	9.88	-55.08
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005938491	1	58	0.0	-57.83	421.48	10.34	-47.49
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300005939285	0	55	0.0	-78.43	379.77	8.26	-70.17
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300005939310	0	52	0.0	-57.94	376.69	8.21	-49.73
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300005939310	1	52	0.0	-62.27	364.34	7.47	-54.80
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(=O)[O-])(C4CCOCC4)C3)CN12	REAL300005939316	1	53	0.0	-66.63	382.64	8.23	-58.40
C[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939393	0	51	0.0	-69.53	349.38	6.98	-62.55
C[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939393	1	51	0.0	-58.29	358.39	7.35	-50.94
CC(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)N1CC[NH+](C)CC1	REAL300005939394	1	56	0.0	-74.47	385.05	5.30	-69.17
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939433	0	51	0.0	-60.27	360.91	7.76	-52.51
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939433	1	51	0.0	-55.69	348.36	6.91	-48.78
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005939513	0	51	0.0	-67.12	361.99	7.33	-59.79
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300005939543	0	46	0.0	-75.91	344.84	8.91	-67.00
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CCCCC1	REAL300005939576	0	60	0.0	-75.70	393.26	9.04	-66.66
C[N@H+](CCC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1CCCCC1	REAL300005939581	0	60	0.0	-71.29	416.96	9.42	-61.87
C[N@@H+](CCC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1CCCCC1	REAL300005939581	1	60	0.0	-70.35	416.96	9.43	-60.92
C[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939597	0	48	0.0	-67.67	335.50	6.22	-61.45
C[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939597	1	48	0.0	-59.48	339.12	6.39	-53.09
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005939650	0	51	0.0	-67.12	361.99	7.33	-59.79
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300005939654	0	54	0.0	-74.41	403.78	7.97	-66.44
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300005939672	0	61	0.0	-57.04	417.79	9.61	-47.43
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300005939672	1	61	0.0	-67.47	405.25	9.27	-58.20
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300005939673	0	62	0.0	-55.83	416.85	7.49	-48.34
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939706	1	52	0.0	-71.67	384.12	8.53	-63.14
O=C([O-])C1(C2CCOCC2)CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300005939707	1	58	0.0	-78.33	411.42	7.21	-71.12
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939712	0	48	0.0	-63.55	334.20	6.12	-57.43
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939712	1	48	0.0	-69.80	340.00	6.57	-63.23
C[NH+](C)C1(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005939721	0	48	0.0	-73.31	340.83	6.40	-66.91
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005939764	0	58	0.0	-67.40	422.91	10.21	-57.19
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005939764	1	58	0.0	-65.93	415.75	9.84	-56.09
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300005939765	0	59	0.0	-84.04	408.94	8.96	-75.08
O=C([O-])C1(C2CCOCC2)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300005939787	0	62	0.0	-71.03	414.71	7.68	-63.35
CCC(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+](CC)CC	REAL300005939791	0	56	0.0	-59.59	377.19	7.93	-51.66
CC(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300005939793	0	57	0.0	-63.70	409.99	9.66	-54.04
CC(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300005939793	1	57	0.0	-57.17	408.40	9.54	-47.63
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C=N1	REAL300005939822	0	53	0.0	-75.39	391.07	7.47	-67.92
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939827	0	62	0.0	-73.68	435.71	9.82	-63.86
CC[N@H+](C)C(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1=CC=CC=C1	REAL300005939828	0	57	0.0	-58.83	406.69	9.61	-49.22
CC[N@@H+](C)C(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1=CC=CC=C1	REAL300005939828	1	57	0.0	-62.12	401.77	9.55	-52.57
C[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005939830	1	49	0.0	-82.39	353.31	6.19	-76.20
C[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005939830	1	49	0.0	-85.87	349.81	6.04	-79.83
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1=CC=CC=C1	REAL300005939832	0	60	0.0	-68.81	409.35	9.98	-58.83
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939841	1	52	0.0	-63.56	384.48	8.53	-55.03
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1=CC=C(Cl)C=C1	REAL300005939846	1	54	0.0	-70.97	401.27	9.34	-61.63
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300005939857	0	58	0.0	-75.95	417.17	9.96	-65.99
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005939866	0	51	0.0	-77.48	366.74	7.37	-70.11
C[NH+](C)CCCCC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939874	0	53	0.0	-76.95	378.52	7.77	-69.18
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+](C)C	REAL300005939882	0	53	0.0	-64.62	360.72	7.38	-57.24
CC1=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300005939892	1	52	0.0	-83.77	388.18	7.34	-76.43
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300005939910	1	54	0.0	-79.54	404.83	8.23	-71.31
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C=C1	REAL300005939911	0	57	0.0	-79.26	414.87	9.65	-69.61
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939921	1	50	0.0	-64.39	366.71	6.43	-57.96
CCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939931	0	50	0.0	-61.30	354.92	7.04	-54.26
CCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939931	1	50	0.0	-61.09	354.92	7.03	-54.06
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1CCC1	REAL300005939953	0	51	0.0	-68.38	360.94	7.65	-60.73
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1CCC1	REAL300005939953	1	51	0.0	-63.25	364.06	7.75	-55.50
CC(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+]1CCSCC1	REAL300005939976	1	52	0.0	-61.76	373.29	7.56	-54.20
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)CC(C)(C)C	REAL300005939979	0	56	0.0	-63.89	386.26	8.23	-55.66
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)CC(C)(C)C	REAL300005939979	1	56	0.0	-66.62	382.86	8.15	-58.47
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939981	0	57	0.0	-70.55	412.21	10.04	-60.51
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939981	1	57	0.0	-64.55	414.83	10.07	-54.48
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939982	0	61	0.0	-66.03	443.77	6.28	-59.75
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005939982	1	61	0.0	-74.41	447.03	6.46	-67.95
CC[C@@H](C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+](C)C	REAL300005939986	0	50	0.0	-68.54	348.70	6.83	-61.71
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005939988	0	55	0.0	-73.32	382.77	6.15	-67.17
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005939988	1	55	0.0	-71.69	375.64	6.08	-65.61
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940010	0	59	0.0	-62.29	419.41	9.38	-52.91
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940010	1	59	0.0	-62.16	419.41	9.37	-52.79
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300005940020	0	52	0.0	-58.34	357.70	7.58	-50.76
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300005940028	1	46	0.0	-83.98	345.09	8.90	-75.08
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1CCSC1	REAL300005940040	0	52	0.0	-65.00	375.04	7.88	-57.12
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1CCSC1	REAL300005940040	1	52	0.0	-70.83	377.28	8.01	-62.82
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005940057	0	62	0.0	-72.27	434.19	7.01	-65.26
CC(C)N1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005940057	1	62	0.0	-65.05	431.85	7.20	-57.85
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005940058	0	65	0.0	-73.32	455.70	7.81	-65.51
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005940058	1	65	0.0	-68.96	449.04	7.42	-61.54
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300005940059	0	55	0.0	-73.31	373.05	8.12	-65.19
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300005940059	1	55	0.0	-60.09	374.14	7.96	-52.13
C[NH+](C)CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C=N1	REAL300005940061	0	54	0.0	-84.05	398.41	6.97	-77.08
CC(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005940075	0	58	0.0	-60.63	406.42	9.84	-50.79
CC(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005940075	1	58	0.0	-61.86	414.57	10.13	-51.73
CCC(CC)C(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+]1CCOCC1	REAL300005940093	1	64	0.0	-60.82	423.07	7.70	-53.12
CCCC(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+](C)C	REAL300005940094	0	53	0.0	-66.09	367.46	7.55	-58.54
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300005940109	0	54	0.0	-88.98	400.32	7.55	-81.43
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940110	0	54	0.0	-60.76	397.13	7.05	-53.71
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC[N@@H+]1C	REAL300005940113	0	51	0.0	-79.94	352.59	7.00	-72.94
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC[N@H+]1C	REAL300005940113	1	51	0.0	-78.01	358.95	6.96	-71.05
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940115	1	55	0.0	-60.83	401.64	8.87	-51.96
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC[N@@H+]1C	REAL300005940118	0	54	0.0	-70.18	371.23	7.31	-62.87
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC[N@H+]1C	REAL300005940118	1	54	0.0	-72.78	376.12	7.79	-64.99
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)=NN1	REAL300005940120	1	55	0.0	-77.93	400.59	7.03	-70.90
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)=NN1	REAL300005940120	1	55	0.0	-78.44	406.34	7.09	-71.35
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940121	0	50	0.0	-61.35	358.07	7.33	-54.02
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940121	1	50	0.0	-67.59	364.96	7.84	-59.75
CC1C[N@H+](C)CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)O1	REAL300005940127	1	52	0.0	-77.10	363.11	6.23	-70.87
CC1C[N@@H+](C)CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)O1	REAL300005940127	1	52	0.0	-64.90	370.83	6.72	-58.18
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300005940133	1	57	0.0	-52.73	408.80	8.09	-44.64
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300005940133	1	57	0.0	-66.65	408.54	7.93	-58.72
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C[NH+]2CCCC2)C1	REAL300005940135	0	48	0.0	-66.73	337.24	6.71	-60.02
CC1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940137	1	46	0.0	-60.61	344.08	7.20	-53.41
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940139	0	55	0.0	-72.37	383.76	6.21	-66.16
CC1CC[NH+](CC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005940157	0	54	0.0	-60.90	378.27	8.10	-52.80
CC[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005940168	1	52	0.0	-52.37	359.84	6.46	-45.91
CC[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005940168	1	52	0.0	-55.66	359.36	7.03	-48.63
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300005940204	0	61	0.0	-72.67	418.41	9.51	-63.16
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300005940204	1	61	0.0	-72.00	421.65	9.60	-62.40
C[N@@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940210	0	54	0.0	-77.52	386.26	8.32	-69.20
C[N@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940210	1	54	0.0	-66.55	383.37	7.95	-58.60
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300005940222	0	55	0.0	-71.73	367.15	7.49	-64.24
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940224	0	52	0.0	-50.41	348.02	3.22	-47.19
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940224	1	52	0.0	-64.65	360.61	3.21	-61.44
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300005940225	0	55	0.0	-67.13	382.06	8.47	-58.66
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300005940225	1	55	0.0	-55.58	379.10	8.35	-47.23
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940232	0	58	0.0	-69.69	393.23	6.49	-63.20
CC[NH+](CC)CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940247	0	50	0.0	-56.87	355.73	7.53	-49.34
CC(C)[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005940249	0	57	0.0	-60.40	397.48	8.55	-51.85
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C23CC[NH+](CC2)C3)C1	REAL300005940330	0	49	0.0	-73.53	343.56	6.11	-67.42
CCC(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+](C)C	REAL300005940333	0	50	0.0	-65.17	345.88	6.80	-58.37
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300005940341	0	52	0.0	-68.07	352.83	6.68	-61.39
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300005940341	1	52	0.0	-73.71	350.45	6.65	-67.06
CC1CCC(C)[NH+]1CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940385	0	54	0.0	-62.33	375.88	7.67	-54.66
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)=C1	REAL300005940386	0	54	0.0	-83.69	388.95	8.74	-74.95
C[NH+](C)C1(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CCC1	REAL300005940422	0	51	0.0	-68.20	343.78	6.71	-61.49
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005940448	0	53	0.0	-71.28	381.06	8.22	-63.06
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940450	0	57	0.0	-65.32	397.13	8.67	-56.65
CCC[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940450	1	57	0.0	-65.24	389.62	9.01	-56.23
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940451	0	54	0.0	-71.84	391.07	8.95	-62.89
CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005940453	0	59	0.0	-73.85	416.94	6.46	-67.39
CCN1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005940453	1	59	0.0	-65.22	418.61	6.89	-58.33
CC(C)[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940454	0	50	0.0	-64.95	353.26	6.99	-57.96
CC(C)[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940454	1	50	0.0	-58.28	350.11	6.83	-51.45
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+]1CCCCC1	REAL300005940455	0	60	0.0	-57.59	402.09	9.46	-48.13
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1=CC=CC=C1	REAL300005940456	1	54	0.0	-60.22	382.85	8.85	-51.37
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940464	1	55	0.0	-65.45	404.26	8.98	-56.47
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300005940471	0	58	0.0	-59.23	400.25	9.20	-50.03
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300005940471	1	58	0.0	-67.32	401.54	9.07	-58.25
CC[N@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1CC1	REAL300005940473	0	51	0.0	-63.30	368.29	7.84	-55.46
CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)C1CC1	REAL300005940473	1	51	0.0	-66.01	354.50	7.50	-58.51
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+]1CC(C)OC(C)C1	REAL300005940498	1	64	0.0	-62.11	426.33	7.83	-54.28
CC(C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+]1CCCCCC1	REAL300005940499	0	57	0.0	-56.98	383.76	8.04	-48.94
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940502	0	48	0.0	-67.16	338.05	6.44	-60.72
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940502	1	48	0.0	-69.13	336.30	6.30	-62.83
CC(C)(C)[NH2+]CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940583	0	50	0.0	-57.66	358.95	5.90	-51.76
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)O1	REAL300005940585	0	57	0.0	-78.47	410.42	8.77	-69.70
O=C([O-])C1(C2CCOCC2)CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300005940586	0	57	0.0	-71.48	411.33	9.53	-61.95
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)CC1=CC=CC=C1	REAL300005940588	1	54	0.0	-67.88	394.59	9.37	-58.51
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)CC1=CC=CC=C1	REAL300005940588	1	54	0.0	-64.12	392.35	9.21	-54.91
CC(C)[C@@H](C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1)[NH+](C)C	REAL300005940598	0	53	0.0	-67.49	359.34	7.57	-59.92
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005940616	1	49	0.0	-83.34	373.39	6.92	-76.42
C[NH+](C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)=NO1	REAL300005940641	1	50	0.0	-81.48	374.81	7.07	-74.41
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940655	0	54	0.0	-70.02	365.41	8.09	-61.93
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940655	1	54	0.0	-69.19	362.80	7.82	-61.37
C[NH+]1CCC(OCC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005940677	0	55	0.0	-84.06	396.19	7.92	-76.14
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300005940681	0	58	0.0	-76.90	425.29	9.51	-67.39
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005940855	0	57	0.0	-57.82	391.63	9.29	-48.53
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005940855	1	57	0.0	-56.13	401.24	8.70	-47.43
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940883	0	57	0.0	-66.98	395.78	8.61	-58.37
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005940883	1	57	0.0	-56.23	393.19	8.22	-48.01
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300005940884	0	55	0.0	-66.48	392.26	4.97	-61.51
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941096	0	57	0.0	-53.75	384.96	8.45	-45.30
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941096	1	57	0.0	-65.55	396.90	8.47	-57.08
C[N@@H+]1CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C(C(F)(F)F)C1	REAL300005941097	0	51	0.0	-73.22	375.86	7.31	-65.91
C[N@H+]1CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C(C(F)(F)F)C1	REAL300005941097	1	51	0.0	-73.88	369.61	7.00	-66.88
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)N1	REAL300005941120	1	52	0.0	-60.84	385.93	6.94	-53.90
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)=C1	REAL300005941583	0	57	0.0	-83.01	415.52	9.71	-73.30
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C=C1	REAL300005941589	0	58	0.0	-70.26	421.07	8.63	-61.63
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941724	0	51	0.0	-73.01	366.40	7.46	-65.55
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)CC1	REAL300005941728	0	57	0.0	-68.57	386.12	8.23	-60.34
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C(=O)[O-])(C4CCOCC4)C3)=CN21	REAL300005941732	0	49	0.0	-72.49	366.32	8.68	-63.81
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941793	0	60	0.0	-71.38	407.58	9.38	-62.00
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941793	1	60	0.0	-70.94	419.24	9.38	-61.56
CC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941794	0	54	0.0	-62.52	371.20	8.03	-54.49
CC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941794	1	54	0.0	-67.90	369.72	7.96	-59.94
C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941799	0	51	0.0	-68.15	355.87	6.98	-61.17
C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941799	1	51	0.0	-62.51	353.33	7.32	-55.19
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)O1	REAL300005941801	1	51	0.0	-81.56	380.21	7.67	-73.89
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941807	0	60	0.0	-86.57	392.90	7.76	-78.81
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C1	REAL300005941807	1	60	0.0	-86.35	403.36	8.41	-77.94
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300005941810	1	53	0.0	-64.63	374.77	9.15	-55.48
COCC1(O)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300005941841	1	45	0.0	-44.69	338.02	3.11	-41.58
CCOC1=CC=C(NC(=O)CN2CCCC(C(=O)[O-])C2)C(OCC)=C1	REAL300005941931	0	51	0.0	-47.37	385.67	7.89	-39.48
CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OCC)=C1	REAL300005941931	1	51	0.0	-47.01	384.87	7.45	-39.56
CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OCC)=C1	REAL300005941931	1	51	0.0	-47.37	385.67	7.89	-39.48
C=CCC1(C(=O)[O-])CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300005943241	0	55	0.0	-84.64	413.81	11.18	-73.46
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300005943942	0	52	0.0	-70.87	389.29	10.27	-60.60
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300005943942	1	52	0.0	-67.99	389.57	10.22	-57.77
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300005944790	1	52	0.0	-55.98	413.75	11.20	-44.78
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300005944790	1	52	0.0	-70.01	406.52	10.73	-59.28
C=CCC1(C(=O)[O-])CN(C(=O)C2CC[NH+](C3CC3)CC2)CCO1	REAL300005944874	0	49	0.0	-81.85	366.33	9.13	-72.72
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2C2CC2)CCO1	REAL300005944904	0	46	0.0	-74.70	344.28	8.10	-66.60
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2C2CC2)CCO1	REAL300005944904	1	46	0.0	-69.76	342.39	7.94	-61.82
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)CCO1	REAL300005944910	1	47	0.0	-69.18	360.85	8.71	-60.47
C=CCC1(C(=O)[O-])CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCO1	REAL300005944911	0	55	0.0	-75.91	411.30	11.03	-64.88
C=CCC1(C(=O)[O-])CN(C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)CCO1	REAL300005944989	1	54	0.0	-83.05	420.33	9.33	-73.72
C=CCC1(C(=O)[O-])CN(C(=O)C(C)N2CC[NH+](C)CC2)CCO1	REAL300005944990	1	50	0.0	-77.50	359.96	5.68	-71.82
C=CCC1(C(=O)[O-])CN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)CCO1	REAL300005945076	0	58	0.0	-83.52	446.83	10.96	-72.56
C=CCC1(C(=O)[O-])CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300005945089	0	58	0.0	-76.32	417.65	11.25	-65.07
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCO1	REAL300005945146	0	40	0.0	-79.07	324.57	9.42	-69.65
C=CCC1(C(=O)[O-])CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCO1	REAL300005945178	0	54	0.0	-74.85	367.99	9.53	-65.32
C=CCC1(C(=O)[O-])CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCO1	REAL300005945183	0	54	0.0	-81.81	391.17	9.81	-72.00
C=CCC1(C(=O)[O-])CN(C(=O)CC[N@H+](C)C2CCCCC2)CCO1	REAL300005945183	1	54	0.0	-81.93	391.16	9.80	-72.13
C=CCC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005945204	1	55	0.0	-72.64	417.09	11.32	-61.32
C=CCC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005945204	1	55	0.0	-75.44	415.33	11.29	-64.15
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005945205	1	52	0.0	-56.88	403.43	10.75	-46.13
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300005945205	1	52	0.0	-70.73	396.20	10.29	-60.44
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCO1	REAL300005945259	0	48	0.0	-80.35	381.70	8.38	-71.97
C=CCC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CCO1	REAL300005945284	0	55	0.0	-70.35	388.79	9.90	-60.45
C=CCC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CCO1	REAL300005945284	1	55	0.0	-72.34	383.71	9.75	-62.59
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CCO1	REAL300005945285	0	56	0.0	-82.95	404.74	8.29	-74.66
C=CCC1(C(=O)[O-])CN(C(=O)CCCN2C=C[NH+]=C2C)CCO1	REAL300005945316	1	46	0.0	-77.75	363.73	9.12	-68.63
C=CCC1(C(=O)[O-])CN(C(=O)CCCC[NH+]2CCOCC2)CCO1	REAL300005945317	1	52	0.0	-81.06	391.61	7.73	-73.33
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[N@@H+](CC)C(C)C)C=C2)CCO1	REAL300005945319	0	57	0.0	-83.02	410.30	10.49	-72.53
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[N@H+](CC)C(C)C)C=C2)CCO1	REAL300005945319	1	57	0.0	-84.82	409.66	10.51	-74.31
C=CCC1(C(=O)[O-])CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005945347	0	52	0.0	-76.93	395.05	10.43	-66.50
C=CCC1(C(=O)[O-])CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005945347	1	52	0.0	-76.74	394.54	10.42	-66.32
C=CCC1(C(=O)[O-])CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CCO1	REAL300005945348	0	53	0.0	-66.92	396.02	9.95	-56.97
C=CCC1(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)CCO1	REAL300005945376	1	57	0.0	-76.58	417.83	8.46	-68.12
C=CCC1(C(=O)[O-])CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCO1	REAL300005945377	0	56	0.0	-81.02	389.51	8.06	-72.96
C=CCC1(C(=O)[O-])CN(C(=O)C(CC)[NH+](CC)CC)CCO1	REAL300005945381	0	50	0.0	-68.57	354.57	8.30	-60.27
C=CCC1(C(=O)[O-])CN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)CCO1	REAL300005945383	0	51	0.0	-72.53	385.18	10.04	-62.49
C=CCC1(C(=O)[O-])CN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)CCO1	REAL300005945383	1	51	0.0	-75.72	385.49	10.10	-65.62
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300005945393	0	58	0.0	-73.08	428.63	12.24	-60.84
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300005945393	1	58	0.0	-63.02	436.51	12.09	-50.93
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)CCO1	REAL300005945419	0	47	0.0	-84.24	365.60	7.35	-76.89
C=CCC1(C(=O)[O-])CN(C(=O)CCC[NH+](CCC)CCC)CCO1	REAL300005945429	0	56	0.0	-77.25	415.90	10.37	-66.88
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C=CCC1(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)CCO1	REAL300005946117	1	48	0.0	-67.68	361.52	9.32	-58.36
C=CCC1(C(=O)[O-])CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005946121	0	53	0.0	-75.29	404.24	7.51	-67.78
C=CCC1(C(=O)[O-])CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300005946121	1	53	0.0	-79.43	400.04	7.60	-71.83
C=CCC1(C(=O)[O-])CN(C(=O)CCN2C=C[NH+]=C2C(C)C)CCO1	REAL300005946127	1	49	0.0	-72.55	378.20	9.37	-63.18
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)CCO1	REAL300005946128	0	51	0.0	-65.33	395.41	10.08	-55.25
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CCO1	REAL300005946134	0	52	0.0	-73.54	354.55	8.92	-64.62
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2C2CCCC2)CCO1	REAL300005946134	1	52	0.0	-76.41	358.45	8.83	-67.58
C=CCC1(C(=O)[O-])CN(C(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)CCO1	REAL300005946164	1	58	0.0	-68.86	412.36	8.80	-60.06
C=CCC1(C(=O)[O-])CN(C(=O)C(C)[NH+]2CCCCCC2)CCO1	REAL300005946165	0	51	0.0	-71.98	360.65	8.52	-63.46
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)CCO1	REAL300005946203	1	53	0.0	-75.52	406.15	9.74	-65.78
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)CCO1	REAL300005946203	1	53	0.0	-89.08	405.15	9.71	-79.37
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+](CC)CC)O2)CCO1	REAL300005946258	0	51	0.0	-83.99	389.04	9.30	-74.69
C=CCC1(C(=O)[O-])CN(C(=O)CCCC[NH+]2CCCC2)CCO1	REAL300005946259	0	51	0.0	-81.81	382.48	9.41	-72.40
C=CCC1(C(=O)[O-])CN(C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)CCO1	REAL300005946261	1	54	0.0	-58.60	406.26	9.15	-49.45
C=CCC1(C(=O)[O-])CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)CCO1	REAL300005946262	1	48	0.0	-77.59	370.04	9.69	-67.90
C=CCC1(C(=O)[O-])CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)CCO1	REAL300005946262	1	48	0.0	-77.66	370.04	9.69	-67.97
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCO1	REAL300005946284	1	43	0.0	-83.91	349.73	7.29	-76.62
C=CCC1(C(=O)[O-])CN(C(=O)C2=NOC(C[NH+](C)C)=C2)CCO1	REAL300005946315	1	44	0.0	-85.78	348.63	7.46	-78.32
C=CCC1(C(=O)[O-])CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)CCO1	REAL300005946319	0	55	0.0	-76.89	412.01	11.14	-65.75
C=CCC1(C(=O)[O-])CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)CCO1	REAL300005946319	1	55	0.0	-85.74	416.69	11.20	-74.54
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2C(C)C)CCO1	REAL300005946336	0	48	0.0	-69.53	343.64	8.47	-61.06
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2C(C)C)CCO1	REAL300005946336	1	48	0.0	-69.81	334.71	7.64	-62.17
C=CCC1(C(=O)[O-])CN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)CCO1	REAL300005946343	0	56	0.0	-70.99	434.79	10.59	-60.40
C=CCC1(C(=O)[O-])CN(C(=O)COC2CC[NH+](C)CC2)CCO1	REAL300005946363	0	49	0.0	-86.47	372.72	8.34	-78.13
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCO1	REAL300005946368	0	52	0.0	-85.56	394.62	9.70	-75.86
C=CCC1(C(=O)[O-])CN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CCO1	REAL300005946413	0	54	0.0	-77.01	406.34	9.25	-67.76
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C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CCC)C2)CCO1	REAL300005946566	0	51	0.0	-58.93	375.84	8.98	-49.95
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CCC)C2)CCO1	REAL300005946566	1	51	0.0	-55.70	367.48	9.09	-46.61
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC(C)C)CCO1	REAL300005946599	0	51	0.0	-68.99	374.44	9.09	-59.90
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC(C)C)CCO1	REAL300005946599	1	51	0.0	-72.96	372.64	9.01	-63.95
C=CCC1(C(=O)[O-])CN(C(=O)C[NH+]2CCC(CO)CC2)CCO1	REAL300005946600	0	49	0.0	-78.52	366.39	5.33	-73.19
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C=CCC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCO1	REAL300005946743	1	55	0.0	-73.37	415.41	11.31	-62.06
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C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](C(C)C)C2)CCO1	REAL300005946838	0	51	0.0	-81.59	371.45	8.89	-72.70
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](C(C)C)C2)CCO1	REAL300005946838	1	51	0.0	-77.12	371.60	8.79	-68.33
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C=CCC1(C(=O)[O-])CN(C(=O)CCC2=[NH+]C(C)=C(C)N2)CCO1	REAL300005946863	1	46	0.0	-74.18	363.93	7.54	-66.64
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COC1=CC=C([C@@H]2CN(C(=O)C3CCC[N@@H+]3C3CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949343	0	52	0.0	-55.34	398.68	10.02	-45.32
COC1=CC=C([C@@H]2CN(C(=O)C3CCC[N@H+]3C3CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949343	1	52	0.0	-48.63	391.97	9.45	-39.18
COC1=CC=C([C@@H]2CN(C(=O)C3CCC4=C[NH+]=C(C)N4C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949348	1	53	0.0	-55.96	407.50	10.10	-45.86
COC1=CC=C([C@@H]2CN(C(=O)C[NH+](C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005949408	0	44	0.0	-58.68	344.27	7.60	-51.08
COC1=CC=C([C@@H]2CN(C(=O)C3CCCC[N@@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949409	0	51	0.0	-57.10	373.03	8.69	-48.41
COC1=CC=C([C@@H]2CN(C(=O)C3CCCC[N@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949409	1	51	0.0	-57.36	385.49	9.23	-48.13
COC1=CC=C([C@@H]2CN(C(=O)C(C)N3CC[NH+](C)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949410	1	56	0.0	-68.96	420.72	7.58	-61.38
COC1=CC=C([C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949443	0	51	0.0	-59.42	374.16	8.77	-50.65
COC1=CC=C([C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949443	1	51	0.0	-54.87	385.10	9.15	-45.72
COC1=CC=C([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949498	0	51	0.0	-67.03	384.51	9.60	-57.43
COC1=CC=C([C@@H]2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949528	0	46	0.0	-73.89	371.72	10.77	-63.12
COC1=CC=C([C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949554	0	60	0.0	-56.48	417.02	11.07	-45.41
COC1=CC=C([C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949558	0	60	0.0	-59.37	442.75	11.23	-48.14
COC1=CC=C([C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949558	1	60	0.0	-59.88	442.75	11.24	-48.64
COC1=CC=C([C@@H]2CN(C(=O)C3CCC[N@@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949572	0	48	0.0	-59.26	363.40	8.20	-51.06
COC1=CC=C([C@@H]2CN(C(=O)C3CCC[N@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949572	1	48	0.0	-56.17	363.28	8.11	-48.06
COC1=CC=C([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949618	0	51	0.0	-67.03	384.51	9.60	-57.43
COC1=CC=C([C@@H]2CN(C(=O)CCCN3C=C[NH+]=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949658	1	52	0.0	-62.05	415.96	10.61	-51.44
COC1=CC=C([C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949659	1	58	0.0	-66.85	442.53	9.22	-57.63
COC1=CC=C([C@@H]2CN(C(=O)[C@H](C)[NH+](C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005949665	0	47	0.0	-57.08	360.97	7.96	-49.12
COC1=CC=C([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949666	0	48	0.0	-53.43	366.81	8.51	-44.92
COC1=CC=C([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949666	1	48	0.0	-56.82	363.30	8.12	-48.70
COC1=CC=C([C@@H]2CN(C(=O)[C@@H](C)[NH+](C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005949670	0	47	0.0	-55.90	360.70	7.90	-48.00
COC1=CC=C([C@@H]2CN(C(=O)C3([NH+](C)C)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949678	0	48	0.0	-58.27	365.24	8.23	-50.04
CCC(C(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1)[NH+](CC)CC	REAL300005949737	0	56	0.0	-51.54	405.29	9.74	-41.80
COC1=CC=C([C@@H]2CN(C(=O)C(C)[N@H+](C)CC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949739	0	57	0.0	-58.12	439.17	11.62	-46.50
COC1=CC=C([C@@H]2CN(C(=O)C(C)[N@@H+](C)CC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949739	1	57	0.0	-55.81	437.39	11.49	-44.32
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C[NH+](C)C)N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949757	0	53	0.0	-70.01	412.49	8.86	-61.15
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300005949761	0	62	0.0	-63.12	462.35	11.55	-51.57
CC[N@H+](C)C(C(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300005949762	0	57	0.0	-53.48	434.68	11.60	-41.88
CC[N@@H+](C)C(C(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300005949762	1	57	0.0	-55.37	432.51	11.59	-43.78
COC1=CC=C([C@@H]2CN(C(=O)C3C[N@H+](C)CCO3)C[C@H]2C(=O)[O-])C=C1	REAL300005949763	1	49	0.0	-68.43	371.25	7.77	-60.66
COC1=CC=C([C@@H]2CN(C(=O)C3C[N@@H+](C)CCO3)C[C@H]2C(=O)[O-])C=C1	REAL300005949763	1	49	0.0	-78.96	377.40	7.91	-71.05
COC1=CC=C([C@@H]2CN(C(=O)CN3C=C[NH+]=C3C(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005949774	1	52	0.0	-56.34	414.44	10.45	-45.89
COC1=CC=C([C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949786	0	51	0.0	-58.84	393.73	9.23	-49.61
COC1=CC=C([C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005949791	0	53	0.0	-65.37	409.63	9.76	-55.61
COC1=CC=C([C@@H]2CN(C(=O)C(C(C)C)[NH+](C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005949800	0	53	0.0	-55.29	388.30	9.12	-46.17
COC1=CC=C([C@@H]2CN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949814	1	54	0.0	-72.38	424.73	10.02	-62.36
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(CC[NH+](C)C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949815	0	57	0.0	-73.58	438.87	11.55	-62.03
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300005949822	1	50	0.0	-53.11	392.11	8.28	-44.83
CCC[N@H+](C)CC(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300005949829	0	50	0.0	-54.58	384.08	9.09	-45.49
CCC[N@@H+](C)CC(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300005949829	1	50	0.0	-62.17	383.04	9.63	-52.54
COC1=CC=C([C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949849	0	51	0.0	-60.07	389.93	10.20	-49.87
COC1=CC=C([C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949849	1	51	0.0	-52.22	391.08	9.65	-42.57
COC1=CC=C([C@@H]2CN(C(=O)C(C)[NH+]3CCSCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949864	1	52	0.0	-55.62	402.17	9.54	-46.08
COC1=CC=C([C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005949866	0	56	0.0	-61.13	413.95	10.78	-50.35
COC1=CC=C([C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005949866	1	56	0.0	-59.26	412.87	10.08	-49.18
COC1=CC=C([C@@H]2CN(C(=O)C[N@H+](C)CCC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949868	0	57	0.0	-66.26	442.95	12.65	-53.61
COC1=CC=C([C@@H]2CN(C(=O)C[N@@H+](C)CCC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949868	1	57	0.0	-57.83	443.99	12.11	-45.72
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COC1=CC=C([C@@H]2CN(C(=O)C3=NN(CC[NH+](C)C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949973	0	54	0.0	-70.69	426.49	9.42	-61.27
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=NN3CC[NH+](C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005949974	0	54	0.0	-63.00	418.50	8.75	-54.25
COC1=CC=C([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949977	0	51	0.0	-65.24	380.05	8.58	-56.66
COC1=CC=C([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949977	1	51	0.0	-63.47	387.09	8.83	-54.64
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COC1=CC=C([C@@H]2CN(C(=O)C3=NNC(C4CCC[N@@H+]4C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949984	1	55	0.0	-70.07	420.31	8.55	-61.52
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C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300005949985	0	50	0.0	-53.44	388.40	9.38	-44.06
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300005949985	1	50	0.0	-53.45	391.22	9.74	-43.71
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COC1=CC=C([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949995	0	48	0.0	-52.69	370.27	8.80	-43.89
COC1=CC=C([C@@H]2CN(C(=O)CN3C=C[NH+]=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300005949997	1	46	0.0	-57.81	373.45	9.24	-48.57
COC1=CC=C([C@@H]2CN(C(=O)C(C)C[NH+]3CCOCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005949999	0	55	0.0	-59.07	414.51	8.17	-50.90
COC1=CC=C([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005950018	0	54	0.0	-55.27	406.92	10.10	-45.17
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300005950029	1	52	0.0	-63.57	387.00	8.37	-55.20
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300005950029	1	52	0.0	-75.98	386.93	8.35	-67.63
COC1=CC=C([C@@H]2CN(C(=O)CCC3CCC[N@@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005950062	0	54	0.0	-62.59	405.03	9.70	-52.89
COC1=CC=C([C@@H]2CN(C(=O)CCC3CCC[N@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005950062	1	54	0.0	-64.21	406.89	9.73	-54.48
COC1=CC=C([C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C(=O)[O-])C=C1	REAL300005950071	0	55	0.0	-66.07	392.54	9.34	-56.73
COC1=CC=C([C@@H]2CN(C(=O)C3(C)CC(O)C[N@@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005950073	0	52	0.0	-58.62	383.57	4.84	-53.78
COC1=CC=C([C@@H]2CN(C(=O)C3(C)CC(O)C[N@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005950073	1	52	0.0	-44.39	379.76	5.45	-38.94
COC1=CC=C([C@@H]2CN(C(=O)C3CCC4CCCC[N@@H+]43)C[C@H]2C(=O)[O-])C=C1	REAL300005950074	0	55	0.0	-49.60	409.11	10.44	-39.16
COC1=CC=C([C@@H]2CN(C(=O)C3CCC4CCCC[N@H+]43)C[C@H]2C(=O)[O-])C=C1	REAL300005950074	1	55	0.0	-54.08	410.85	10.47	-43.61
COC1=CC=C([C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005950078	0	58	0.0	-63.89	420.36	8.31	-55.58
CC[NH+](CC)CC(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300005950092	0	50	0.0	-55.43	380.68	8.96	-46.47
COC1=CC=C([C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005950094	0	57	0.0	-64.01	415.16	10.55	-53.46
COC1=CC=C([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C(=O)[O-])C=C1	REAL300005950167	0	49	0.0	-62.79	368.98	7.92	-54.87
CCC(C(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300005950170	0	50	0.0	-56.26	373.07	8.68	-47.58
COC1=CC=C([C@@H]2CN(C(=O)C34CC[N@H+](C3)CCC4)C[C@H]2C(=O)[O-])C=C1	REAL300005950178	0	52	0.0	-60.69	376.48	8.47	-52.22
COC1=CC=C([C@@H]2CN(C(=O)C34CC[N@@H+](C3)CCC4)C[C@H]2C(=O)[O-])C=C1	REAL300005950178	1	52	0.0	-64.41	377.61	8.46	-55.95
COC1=CC=C([C@@H]2CN(C(=O)C[NH+]3C(C)CCC3C)C[C@H]2C(=O)[O-])C=C1	REAL300005950213	0	54	0.0	-57.17	392.09	9.24	-47.93
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=CC(C[NH+](C)C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005950214	0	54	0.0	-69.05	417.47	10.70	-58.35
COC1=CC=C([C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005950243	0	51	0.0	-58.94	374.52	8.51	-50.43
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300005950264	0	53	0.0	-68.30	409.19	10.75	-57.55
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300005950265	0	57	0.0	-50.82	413.17	10.16	-40.66
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300005950265	1	57	0.0	-48.80	422.96	10.57	-38.23
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=CC=C3C[NH+](C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005950266	0	54	0.0	-55.23	414.16	11.09	-44.14
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300005950268	0	59	0.0	-65.05	442.96	8.32	-56.73
CCN1CC[NH+](CCC(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300005950268	1	59	0.0	-63.56	443.64	8.35	-55.21
COC1=CC=C([C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005950269	0	50	0.0	-53.01	377.67	8.84	-44.17
COC1=CC=C([C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005950269	1	50	0.0	-52.15	379.28	8.86	-43.29
COC1=CC=C([C@@H]2CN(C(=O)C(C(C)C)[NH+]3CCCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005950270	0	60	0.0	-47.20	428.00	11.09	-36.11
COC1=CC=C([C@@H]2CN(C(=O)C(C3=CC=CC=C3)[NH+](C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005950271	1	54	0.0	-56.13	415.28	11.42	-44.71
COC1=CC=C([C@@H]2CN(C(=O)CCN3C=C[NH+]=C3C(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005950276	1	55	0.0	-57.46	430.49	10.85	-46.61
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COC1=CC=C([C@@H]2CN(C(=O)C3CCC[N@H+]3C3CCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005950281	1	58	0.0	-55.78	429.10	10.96	-44.82
CC[N@H+](CC(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300005950283	0	51	0.0	-56.26	394.48	9.71	-46.55
CC[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300005950283	1	51	0.0	-53.63	390.70	9.59	-44.04
COC1=CC=C([C@@H]2CN(C(=O)C(C)[NH+]3CCCCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005950298	0	57	0.0	-53.85	411.91	10.01	-43.84
COC1=CC=C([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005950301	0	48	0.0	-59.26	363.30	8.18	-51.08
COC1=CC=C([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C(=O)[O-])C=C1	REAL300005950301	1	48	0.0	-56.64	367.98	8.39	-48.25
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COC1=CC=C([C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005950355	0	57	0.0	-65.93	434.77	10.90	-55.03
COC1=CC=C([C@@H]2CN(C(=O)C[N@H+](C)CC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005950357	1	54	0.0	-57.05	421.57	11.26	-45.79
COC1=CC=C([C@@H]2CN(C(=O)C[N@@H+](C)CC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005950357	1	54	0.0	-56.24	419.91	11.24	-45.00
COC1=CC=C([C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005950365	0	53	0.0	-56.21	383.23	9.26	-46.95
COC1=CC=C([C@@H]2CN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005950383	1	49	0.0	-74.41	397.38	8.72	-65.69
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COC1=CC=C([C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005950425	0	55	0.0	-69.54	424.95	9.84	-59.70
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300005950550	0	57	0.0	-58.47	422.73	10.41	-48.06
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300005950550	1	57	0.0	-56.35	416.54	10.58	-45.77
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COC1=CC=C([C@@H]2CN(C(=O)C3=CC=CC(CC[NH+](C)C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005951089	0	57	0.0	-72.01	439.97	11.54	-60.47
COC1=CC=C([C@@H]2CN(C(=O)[C@H]3C[C@H]([NH+](C)C)C3)C[C@H]2C(=O)[O-])C=C1	REAL300005951195	0	51	0.0	-64.25	394.11	9.40	-54.85
COC1=CC=C([C@@H]2CN(C(=O)[C@H]3CC[C@@H]([NH+](C)C)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005951199	0	57	0.0	-61.26	412.27	10.63	-50.63
COC1=CC=C([C@@H]2CN(C(=O)C3=CN4C(=C[NH+]=C4C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005951202	0	49	0.0	-70.42	393.14	10.55	-59.87
COC1=CC=C([C@@H]2CN(C(=O)C3CCC[N@H+](CC(C)C)C3)C[C@H]2C(=O)[O-])C=C1	REAL300005951251	0	60	0.0	-56.41	434.01	11.26	-45.15
COC1=CC=C([C@@H]2CN(C(=O)C3CCC[N@@H+](CC(C)C)C3)C[C@H]2C(=O)[O-])C=C1	REAL300005951251	1	60	0.0	-63.43	436.03	11.14	-52.29
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300005951252	0	54	0.0	-57.97	397.17	9.85	-48.12
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300005951252	1	54	0.0	-63.49	397.39	9.91	-53.58
COC1=CC=C([C@@H]2CN(C(=O)C3CCC[N@H+](C)C3)C[C@H]2C(=O)[O-])C=C1	REAL300005951257	0	51	0.0	-56.06	379.24	9.00	-47.06
COC1=CC=C([C@@H]2CN(C(=O)C3CCC[N@@H+](C)C3)C[C@H]2C(=O)[O-])C=C1	REAL300005951257	1	51	0.0	-64.41	379.80	9.22	-55.19
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C[NH+](C)C)O3)C[C@H]2C(=O)[O-])C=C1	REAL300005951259	1	51	0.0	-61.57	403.65	9.40	-52.17
COC1=CC=C([C@@H]2CN(C(=O)C(C)(C)C3CCC[N@H+](C)C3)C[C@H]2C(=O)[O-])C=C1	REAL300005951265	0	60	0.0	-79.30	424.07	10.27	-69.03
COC1=CC=C([C@@H]2CN(C(=O)C(C)(C)C3CCC[N@@H+](C)C3)C[C@H]2C(=O)[O-])C=C1	REAL300005951265	1	60	0.0	-65.43	421.25	9.73	-55.70
COC1=CC=C([C@@H]2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005951268	0	53	0.0	-53.28	398.65	10.13	-43.15
COC1=CC=C([C@@H]2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005951268	1	53	0.0	-66.51	398.75	10.93	-55.58
O=C([O-])C12CCCC1N(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)CC2	REAL300005952593	0	54	0.0	-84.86	391.81	11.53	-73.33
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300005953363	0	51	0.0	-66.38	379.64	11.16	-55.22
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300005953363	1	51	0.0	-67.25	379.92	11.14	-56.11
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)CC2	REAL300005954212	1	51	0.0	-73.02	394.02	11.60	-61.42
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)CC2	REAL300005954212	1	51	0.0	-67.45	390.73	11.24	-56.21
O=C([O-])C12CCCC1N(C(=O)C1CC[NH+](C3CC3)CC1)CC2	REAL300005954287	0	48	0.0	-80.83	344.95	9.41	-71.42
CC1=[NH+]C=C2CCC(C(=O)N3CCC4(C(=O)[O-])CCCC34)CN12	REAL300005954315	1	46	0.0	-69.49	345.49	9.21	-60.28
O=C([O-])C12CCCC1N(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC2	REAL300005954316	0	54	0.0	-73.20	395.67	11.50	-61.70
CC1=NC(C[NH+]2CCC(C(=O)N3CCC4(C(=O)[O-])CCCC34)CC2)=CS1	REAL300005954392	1	53	0.0	-77.58	404.90	9.73	-67.85
CC(C(=O)N1CCC2(C(=O)[O-])CCCC12)N1CC[NH+](C)CC1	REAL300005954393	1	49	0.0	-77.38	345.67	6.29	-71.09
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC3(C(=O)[O-])CCCC23)C=C1	REAL300005954477	0	57	0.0	-80.50	432.17	11.39	-69.11
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=C1	REAL300005954489	0	57	0.0	-79.42	427.47	13.19	-66.23
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=C1	REAL300005954489	1	57	0.0	-97.66	427.58	13.31	-84.35
CC1(C(=O)N2CCC3(C(=O)[O-])CCCC23)CC[NH+](CC2=CC=CC=C2)CC1	REAL300005954491	0	57	0.0	-64.48	401.59	11.67	-52.81
C[NH+](C)CC1(C(=O)N2CCC3(C(=O)[O-])CCCC23)CCCCC1	REAL300005954576	0	53	0.0	-87.27	344.59	9.76	-77.51
C[N@H+](CCC(=O)N1CCC2(C(=O)[O-])CCCC12)C1CCCCC1	REAL300005954580	0	53	0.0	-70.29	375.94	10.27	-60.02
C[N@@H+](CCC(=O)N1CCC2(C(=O)[O-])CCCC12)C1CCCCC1	REAL300005954580	1	53	0.0	-70.99	375.94	10.29	-60.70
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)CC2	REAL300005954603	1	54	0.0	-68.62	401.20	11.82	-56.80
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)CC2	REAL300005954603	1	54	0.0	-69.68	389.11	11.37	-58.31
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CC2	REAL300005954604	1	51	0.0	-73.99	383.70	11.15	-62.84
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CC2	REAL300005954604	1	51	0.0	-68.30	380.41	10.78	-57.52
O=C([O-])C12CCCC1N(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)CC2	REAL300005954661	0	47	0.0	-64.74	358.12	8.76	-55.98
C[NH+](C)CCN1N=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=C1C1=CC=CC=C1	REAL300005954666	0	57	0.0	-78.74	424.98	11.04	-67.70
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@@H+]1C1CCCC1)CC2	REAL300005954691	0	54	0.0	-63.43	373.18	10.37	-53.06
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@H+]1C1CCCC1)CC2	REAL300005954691	1	54	0.0	-67.25	368.00	10.29	-56.96
O=C([O-])C12CCCC1N(C(=O)C1CCC([NH+]3CCOCC3)CC1)CC2	REAL300005954692	0	55	0.0	-86.10	382.84	8.60	-77.50
CC1=[NH+]C=CN1CCCC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005954723	1	45	0.0	-72.85	349.07	9.55	-63.30
O=C([O-])C12CCCC1N(C(=O)CCCC[NH+]1CCOCC1)CC2	REAL300005954724	1	51	0.0	-80.44	375.50	8.22	-72.22
CC[N@H+](CC1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C=C1)C(C)C	REAL300005954726	0	56	0.0	-89.56	390.98	11.01	-78.55
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C=C1)C(C)C	REAL300005954726	1	56	0.0	-64.59	386.27	10.79	-53.80
O=C([O-])C12CCCC1N(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)CC2	REAL300005954751	0	51	0.0	-77.15	375.66	10.87	-66.28
O=C([O-])C12CCCC1N(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)CC2	REAL300005954751	1	51	0.0	-70.49	380.22	11.00	-59.49
O=C([O-])C12CCCC1N(C(=O)C1CC[NH+](C3CCSC3)CC1)CC2	REAL300005954752	0	52	0.0	-87.98	370.87	9.98	-78.00
C[NH+]1CCN(C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C2=CC=CC=C2)CC1	REAL300005954781	1	56	0.0	-77.01	400.10	8.88	-68.13
O=C([O-])C12CCCC1N(C(=O)CC1([NH+]3CCOCC3)CCCC1)CC2	REAL300005954782	0	55	0.0	-74.02	373.38	8.50	-65.52
CC(C(=O)N1CCC2(C(=O)[O-])CCCC12)[N@H+](C)CC1=CC=CC=C1	REAL300005954785	0	50	0.0	-70.51	371.53	10.55	-59.96
CC(C(=O)N1CCC2(C(=O)[O-])CCCC12)[N@@H+](C)CC1=CC=CC=C1	REAL300005954785	1	50	0.0	-70.74	371.08	10.53	-60.21
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)CC2	REAL300005954796	0	57	0.0	-71.28	421.11	12.59	-58.69
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)CC2	REAL300005954796	1	57	0.0	-62.02	406.87	12.54	-49.48
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C=N1	REAL300005954825	0	46	0.0	-86.51	346.59	7.87	-78.64
CCC[NH+](CCC)CCCC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005954836	0	55	0.0	-75.58	395.32	10.55	-65.03
O=C([O-])C12CCCC1N(C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)CC2	REAL300005954837	1	55	0.0	-54.94	395.51	7.89	-47.05
CC[N@H+](C)C(C(=O)N1CCC2(C(=O)[O-])CCCC12)C1=CC=CC=C1	REAL300005954838	0	50	0.0	-66.84	366.75	10.52	-56.32
CC[N@@H+](C)C(C(=O)N1CCC2(C(=O)[O-])CCCC12)C1=CC=CC=C1	REAL300005954838	1	50	0.0	-61.93	365.38	10.59	-51.34
CC[NH+](CC)C(C(=O)N1CCC2(C(=O)[O-])CCCC12)C1=CC=CC=C1	REAL300005954843	0	53	0.0	-60.90	373.45	10.94	-49.96
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005954849	1	45	0.0	-66.23	342.98	9.34	-56.89
C[NH+](C)C(C(=O)N1CCC2(C(=O)[O-])CCCC12)C1=CC=C(Cl)C=C1	REAL300005954851	1	47	0.0	-61.69	366.23	10.41	-51.28
O=C([O-])C12CCCC1N(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)CC2	REAL300005954865	0	51	0.0	-67.63	371.95	10.77	-56.86
O=C([O-])C12CCCC1N(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)CC2	REAL300005954872	0	54	0.0	-74.29	393.30	11.59	-62.70
CCN1CCC([NH+]2CCC(C(=O)N3CCC4(C(=O)[O-])CCCC34)CC2)CC1	REAL300005954879	0	62	0.0	-81.79	427.91	9.28	-72.51
CC1C[NH+](CC2=CC=C(C(=O)N3CCC4(C(=O)[O-])CCCC34)C=C2)CC(C)O1	REAL300005954886	1	58	0.0	-70.64	422.01	10.50	-60.14
O=C([O-])C12CCCC1N(C(=O)CC1C[N@H+](CC3=CC=CC=C3)CCO1)CC2	REAL300005954897	1	55	0.0	-88.25	402.87	11.09	-77.16
O=C([O-])C12CCCC1N(C(=O)CC1C[N@@H+](CC3=CC=CC=C3)CCO1)CC2	REAL300005954897	1	55	0.0	-84.31	409.50	11.18	-73.13
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300005954912	0	54	0.0	-64.24	394.79	11.75	-52.49
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300005954912	1	54	0.0	-74.67	384.14	11.44	-63.23
CC1=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C=NN1C1=CC=[NH+]C=C1	REAL300005954914	1	45	0.0	-79.43	346.35	8.13	-71.30
O=C([O-])C12CCCC1N(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)CC2	REAL300005954922	0	54	0.0	-68.18	388.68	11.47	-56.71
O=C([O-])C12CCCC1N(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)CC2	REAL300005954934	1	47	0.0	-82.98	357.79	9.01	-73.97
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C=C1	REAL300005954935	0	50	0.0	-71.82	369.61	10.46	-61.36
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005954946	1	43	0.0	-68.68	324.43	7.26	-61.42
O=C([O-])C12CCCC1N(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)CC2	REAL300005954947	1	52	0.0	-77.17	387.03	10.48	-66.69
O=C([O-])C12CCCC1N(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)CC2	REAL300005954947	1	52	0.0	-80.56	385.49	10.49	-70.07
CC(C(=O)N1CCC2(C(=O)[O-])CCCC12)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005954961	0	60	0.0	-60.08	434.44	13.07	-47.01
CC(C(=O)N1CCC2(C(=O)[O-])CCCC12)[NH+]1CCSCC1	REAL300005955001	1	45	0.0	-67.28	328.74	8.24	-59.04
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955008	0	50	0.0	-74.49	374.15	11.04	-63.45
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955008	1	50	0.0	-74.70	374.15	11.05	-63.65
COCCOCC[N@H+](C)CCC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955009	0	54	0.0	-70.36	405.69	7.29	-63.07
COCCOCC[N@@H+](C)CCC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955009	1	54	0.0	-76.77	405.41	7.25	-69.52
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3(C(=O)[O-])CCCC23)C1	REAL300005955013	0	48	0.0	-64.66	337.07	6.79	-57.87
C[N@H+]1CCCC(O)(CC(=O)N2CCC3(C(=O)[O-])CCCC23)C1	REAL300005955013	1	48	0.0	-69.55	336.05	6.96	-62.59
O=C([O-])C12CCCC1N(C(=O)CCC[NH+]1CCN(C3=CC=CC=C3)CC1)CC2	REAL300005955023	0	59	0.0	-80.83	431.53	10.77	-70.06
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CC2	REAL300005955024	1	53	0.0	-61.68	381.81	9.73	-51.95
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CC2	REAL300005955024	1	53	0.0	-79.57	379.15	9.69	-69.88
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CC2	REAL300005955025	1	53	0.0	-69.15	389.48	9.84	-59.31
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CC2	REAL300005955025	1	53	0.0	-75.29	391.04	10.09	-65.20
CCCCCC[N@H+](C)CC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955027	0	52	0.0	-72.74	378.75	10.37	-62.37
CCCCCC[N@@H+](C)CC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955027	1	52	0.0	-69.90	380.96	10.35	-59.55
C[N@H+](CC(=O)N1CCC2(C(=O)[O-])CCCC12)C1CCSC1	REAL300005955056	0	45	0.0	-72.78	336.58	8.84	-63.94
C[N@@H+](CC(=O)N1CCC2(C(=O)[O-])CCCC12)C1CCSC1	REAL300005955056	1	45	0.0	-72.51	336.55	8.85	-63.66
CC(C)[NH+]1CCN(CCC(=O)N2CCC3(C(=O)[O-])CCCC23)CC1	REAL300005955071	0	55	0.0	-78.68	390.37	7.81	-70.87
CC(C)N1CC[NH+](CCC(=O)N2CCC3(C(=O)[O-])CCCC23)CC1	REAL300005955071	1	55	0.0	-73.58	389.40	7.63	-65.95
CC(C)[NH+]1CCN(CCCC(=O)N2CCC3(C(=O)[O-])CCCC23)CC1	REAL300005955072	0	58	0.0	-76.84	408.97	8.23	-68.61
CC(C)N1CC[NH+](CCCC(=O)N2CCC3(C(=O)[O-])CCCC23)CC1	REAL300005955072	1	58	0.0	-76.58	410.40	8.39	-68.19
O=C([O-])C12CCCC1N(C(=O)C1CCCC3CCC[N@@H+]31)CC2	REAL300005955073	0	48	0.0	-65.72	330.18	8.77	-56.95
O=C([O-])C12CCCC1N(C(=O)C1CCCC3CCC[N@H+]31)CC2	REAL300005955073	1	48	0.0	-63.91	335.76	9.16	-54.75
C[NH+](C)CCN1C=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C=N1	REAL300005955075	0	47	0.0	-76.17	352.05	7.65	-68.52
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC4(C(=O)[O-])CCCC34)CC2)=C1	REAL300005955082	0	59	0.0	-80.40	432.31	10.66	-69.74
O=C([O-])C12CCCC1N(C(=O)CC[NH+]1CCN(C3=CC=CC=C3)CC1)CC2	REAL300005955084	0	56	0.0	-78.09	410.03	9.97	-68.12
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)CC2	REAL300005955087	0	53	0.0	-81.06	393.01	9.93	-71.13
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)CC2	REAL300005955087	1	53	0.0	-71.23	382.93	9.83	-61.40
CC(C(=O)N1CCC2(C(=O)[O-])CCCC12)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005955092	1	51	0.0	-71.31	374.60	10.94	-60.37
CC(C(=O)N1CCC2(C(=O)[O-])CCCC12)[N@H+]1CCC2=CC=CC=C2C1	REAL300005955092	1	51	0.0	-71.59	366.28	10.84	-60.75
CCC(CC)C(C(=O)N1CCC2(C(=O)[O-])CCCC12)[NH+]1CCOCC1	REAL300005955111	1	57	0.0	-69.99	384.21	8.56	-61.43
O=C([O-])C12CCCC1N(C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)CC2	REAL300005955120	0	54	0.0	-74.85	403.25	11.93	-62.92
O=C([O-])C12CCCC1N(C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)CC2	REAL300005955120	1	54	0.0	-80.50	402.36	11.87	-68.63
C[NH+](C)CCN1C=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300005955135	0	47	0.0	-93.54	356.42	8.36	-85.18
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955136	0	47	0.0	-68.23	349.95	7.82	-60.41
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955142	1	48	0.0	-68.26	363.19	9.84	-58.42
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=NN1	REAL300005955146	1	48	0.0	-83.59	359.48	7.90	-75.69
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=NN1	REAL300005955146	1	48	0.0	-82.87	355.35	7.42	-75.45
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@H+](CC3=CC=CC(F)=C3)C1)CC2	REAL300005955158	0	54	0.0	-60.51	402.53	11.71	-48.80
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@@H+](CC3=CC=CC(F)=C3)C1)CC2	REAL300005955158	1	54	0.0	-70.30	394.46	11.75	-58.55
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)CC2	REAL300005955159	1	50	0.0	-60.88	370.41	9.09	-51.79
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@H+]1CC1=CC=CC=N1)CC2	REAL300005955159	1	50	0.0	-63.34	368.75	8.89	-54.45
CC(C[NH+]1CCOCC1)C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955163	1	48	0.0	-62.62	343.89	7.17	-55.45
O=C([O-])C12CCCC1N(C(=O)CC[NH+]1CCN(C3=CC=CC=N3)CC1)CC2	REAL300005955164	0	55	0.0	-77.61	407.28	9.34	-68.27
O=C([O-])C12CCCC1N(C(=O)C1CC[N@@H+](C3CCCCC3)C1)CC2	REAL300005955218	0	54	0.0	-74.19	380.32	10.38	-63.81
O=C([O-])C12CCCC1N(C(=O)C1CC[N@H+](C3CCCCC3)C1)CC2	REAL300005955218	1	54	0.0	-73.65	380.34	10.42	-63.23
O=C([O-])C12CCCC1N(C(=O)C13CCC[NH+](CCC1)C3)CC2	REAL300005955237	0	48	0.0	-77.88	324.26	8.28	-69.60
O=C([O-])C12CCCC1N(C(=O)C1CCC3CCCC[N@@H+]31)CC2	REAL300005955241	0	48	0.0	-60.14	337.68	9.10	-51.04
O=C([O-])C12CCCC1N(C(=O)C1CCC3CCCC[N@H+]31)CC2	REAL300005955241	1	48	0.0	-63.95	342.13	9.40	-54.55
O=C([O-])C12CCCC1N(C(=O)C1C[N@H+](CC3=CC=CC=C3)CC13CCOC3)CC2	REAL300005955243	0	59	0.0	-71.91	428.07	10.71	-61.20
O=C([O-])C12CCCC1N(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CC13CCOC3)CC2	REAL300005955243	1	59	0.0	-79.98	428.59	10.76	-69.22
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955250	0	51	0.0	-68.13	348.03	7.19	-60.94
CC(C)[N@@H+]1CCC(C(=O)N2CCC3(C(=O)[O-])CCCC23)C(C2=CN(C)N=C2)C1	REAL300005955255	0	60	0.0	-70.18	435.81	10.51	-59.67
CC(C)[N@H+]1CCC(C(=O)N2CCC3(C(=O)[O-])CCCC23)C(C2=CN(C)N=C2)C1	REAL300005955255	1	60	0.0	-78.06	415.89	9.74	-68.32
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC3(C(=O)[O-])CCCC23)C=N1	REAL300005955256	0	54	0.0	-81.71	382.24	8.66	-73.05
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC3(C(=O)[O-])CCCC23)C=N1	REAL300005955256	1	54	0.0	-71.86	381.58	8.64	-63.22
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC4(C(=O)[O-])CCCC34)=C2)CC1	REAL300005955261	0	56	0.0	-72.20	410.42	9.16	-63.04
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC4(C(=O)[O-])CCCC34)C=C2)CC1	REAL300005955262	0	56	0.0	-68.13	405.75	9.04	-59.09
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC4(C(=O)[O-])CCCC34)C=C2)CC1	REAL300005955262	1	56	0.0	-68.68	405.21	8.92	-59.76
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C=C1	REAL300005955263	0	57	0.0	-86.75	412.75	10.54	-76.21
CC(C)[NH+]1CCC(C(=O)N2CCC3(C(=O)[O-])CCCC23)CC1	REAL300005955269	0	50	0.0	-80.71	346.32	8.95	-71.76
O=C([O-])C12CCCC1N(C(=O)C1=CC=C(C[NH+]3CCC(CO)CC3)C=C1)CC2	REAL300005955383	0	58	0.0	-69.89	420.38	8.78	-61.11
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=C1	REAL300005955387	0	47	0.0	-75.50	350.80	9.60	-65.90
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)CC2	REAL300005955388	0	54	0.0	-66.31	387.94	11.73	-54.58
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)CC2	REAL300005955388	1	54	0.0	-63.97	388.86	11.59	-52.38
C#CC[NH+]1CCC(C(=O)N2CCC3(C(=O)[O-])CCCC23)CC1	REAL300005955454	0	46	0.0	-81.89	342.82	9.18	-72.71
CCC[N@@H+]1CCCCC1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955456	0	50	0.0	-72.87	349.18	9.29	-63.58
CCC[N@H+]1CCCCC1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955456	1	50	0.0	-66.89	357.21	9.53	-57.36
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955458	0	47	0.0	-73.90	349.12	9.79	-64.11
CC[NH+]1CCN(CCC(=O)N2CCC3(C(=O)[O-])CCCC23)CC1	REAL300005955460	0	52	0.0	-79.45	375.84	7.29	-72.16
CCN1CC[NH+](CCC(=O)N2CCC3(C(=O)[O-])CCCC23)CC1	REAL300005955460	1	52	0.0	-74.25	375.33	7.24	-67.01
CC(C)C(C(=O)N1CCC2(C(=O)[O-])CCCC12)[NH+]1CCCCC1	REAL300005955462	0	53	0.0	-69.32	363.12	10.20	-59.12
C[NH+](C)C(C(=O)N1CCC2(C(=O)[O-])CCCC12)C1=CC=CC=C1	REAL300005955463	1	47	0.0	-64.56	347.53	9.85	-54.71
O=C([O-])C12CCCC1N(C(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)CC2	REAL300005955467	0	52	0.0	-76.93	379.14	8.42	-68.51
O=C([O-])C12CCCC1N(C(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)CC2	REAL300005955467	1	52	0.0	-73.89	380.73	8.38	-65.51
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955473	1	48	0.0	-67.63	362.65	9.78	-57.85
C[NH+](C)CC1=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)OC2=CC=CC=C21	REAL300005955474	0	50	0.0	-66.61	370.97	10.50	-56.11
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@@H+]1C1CCCC1)CC2	REAL300005955479	0	51	0.0	-62.67	352.41	10.25	-52.42
O=C([O-])C12CCCC1N(C(=O)C1CCC[N@H+]1C1CCCC1)CC2	REAL300005955479	1	51	0.0	-71.61	360.27	9.92	-61.69
O=C([O-])C12CCCC1N(C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1)CC2	REAL300005955507	1	52	0.0	-63.22	388.52	11.41	-51.81
CC(C)C(C(=O)N1CCC2(C(=O)[O-])CCCC12)[NH+]1CC(C)OC(C)C1	REAL300005955508	1	57	0.0	-63.28	398.18	9.00	-54.28
CC(C(=O)N1CCC2(C(=O)[O-])CCCC12)[NH+]1CCCCCC1	REAL300005955509	0	50	0.0	-64.89	346.55	8.97	-55.92
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4(C(=O)[O-])CCCC34)=CC=C1N2	REAL300005955545	1	52	0.0	-77.50	381.07	9.84	-67.66
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4(C(=O)[O-])CCCC34)=CC=C1N2	REAL300005955545	1	52	0.0	-75.39	387.85	10.12	-65.27
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)O1	REAL300005955603	0	50	0.0	-75.19	374.53	9.88	-65.31
O=C([O-])C12CCCC1N(C(=O)CCCC[NH+]1CCCC1)CC2	REAL300005955604	0	50	0.0	-78.13	366.94	9.83	-68.30
CC1=CC=C(N2CCC(C(=O)N3CCC4(C(=O)[O-])CCCC34)CC2)[NH+]=C1	REAL300005955606	1	53	0.0	-76.98	387.11	9.41	-67.57
C[N@H+](CC(=O)N1CCC2(C(=O)[O-])CCCC12)CC1=CC=CC=C1	REAL300005955607	1	47	0.0	-75.56	351.68	10.20	-65.36
C[N@@H+](CC(=O)N1CCC2(C(=O)[O-])CCCC12)CC1=CC=CC=C1	REAL300005955607	1	47	0.0	-75.08	351.72	10.20	-64.88
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC4(C(=O)[O-])CCCC34)C=C2)CC1	REAL300005955611	0	59	0.0	-89.14	419.49	10.06	-79.08
O=C([O-])C12CCCC1N(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)CC2	REAL300005955625	1	42	0.0	-73.92	327.70	7.64	-66.28
C[NH+](C)CC1=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=NO1	REAL300005955654	1	43	0.0	-82.40	331.69	7.81	-74.59
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955660	0	54	0.0	-69.47	397.12	11.64	-57.83
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955660	1	54	0.0	-75.85	398.35	11.62	-64.23
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC3(C(=O)[O-])CCCC23)C=C1	REAL300005955684	0	55	0.0	-87.76	418.69	11.08	-76.68
C[NH+]1CCC(OCC(=O)N2CCC3(C(=O)[O-])CCCC23)CC1	REAL300005955701	0	48	0.0	-84.54	357.19	8.77	-75.77
O=C([O-])C12CCCC1N(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)CC2	REAL300005955707	0	51	0.0	-76.63	379.73	10.28	-66.35
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC3(C(=O)[O-])CCCC23)[C@@H](C(F)(F)F)C1	REAL300005955748	0	53	0.0	-64.61	389.09	9.69	-54.92
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC3(C(=O)[O-])CCCC23)[C@@H](C(F)(F)F)C1	REAL300005955748	1	53	0.0	-61.74	386.30	9.64	-52.10
CCC[N@@H+]1CCCC(C(=O)N2CCC3(C(=O)[O-])CCCC23)C1	REAL300005955892	0	50	0.0	-71.12	356.44	9.33	-61.79
CCC[N@H+]1CCCC(C(=O)N2CCC3(C(=O)[O-])CCCC23)C1	REAL300005955892	1	50	0.0	-55.37	359.07	9.53	-45.84
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955924	0	50	0.0	-68.28	360.72	9.63	-58.65
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005955924	1	50	0.0	-62.82	348.75	9.83	-52.99
O=C([O-])C12CCCC1N(C(=O)C[NH+]1CCC(CO)CC1)CC2	REAL300005955927	0	48	0.0	-72.62	350.66	5.77	-66.85
O=C([O-])C12CCCC1N(C(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)CC2	REAL300005956021	0	55	0.0	-65.83	401.43	11.88	-53.95
O=C([O-])C12CCCC1N(C(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)CC2	REAL300005956021	1	55	0.0	-80.16	404.61	11.91	-68.25
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)CC2	REAL300005956059	1	54	0.0	-67.95	389.16	11.31	-56.64
O=C([O-])C12CCCC1N(C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)CC2	REAL300005956059	1	54	0.0	-76.26	399.20	11.75	-64.51
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3(C(=O)[O-])CCCC23)C1	REAL300005956148	0	50	0.0	-77.44	346.06	9.19	-68.25
CC(C)[N@H+]1CCCC(C(=O)N2CCC3(C(=O)[O-])CCCC23)C1	REAL300005956148	1	50	0.0	-60.62	345.67	9.34	-51.28
C[N@@H+]1CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)C(C(F)(F)F)C1	REAL300005956149	0	44	0.0	-69.04	326.95	8.51	-60.53
C[N@H+]1CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)C(C(F)(F)F)C1	REAL300005956149	1	44	0.0	-90.26	338.23	8.15	-82.11
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3(C(=O)[O-])CCCC23)N1	REAL300005956175	1	45	0.0	-64.69	347.77	7.97	-56.72
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=C1	REAL300005956649	0	50	0.0	-81.63	373.42	10.55	-71.08
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C=C1	REAL300005956655	0	51	0.0	-88.76	381.83	9.47	-79.29
O=C([O-])C12CCCC1N(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)CC2	REAL300005956745	0	57	0.0	-76.22	416.94	12.57	-63.65
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC4(C(=O)[O-])CCCC34)C=C2)CCO1	REAL300005956747	1	55	0.0	-90.03	406.17	9.90	-80.13
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC4(C(=O)[O-])CCCC34)C=C2)CCO1	REAL300005956747	1	55	0.0	-92.96	403.66	9.90	-83.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3(C(=O)[O-])CCCC23)CC1	REAL300005956790	0	50	0.0	-75.85	345.60	9.00	-66.85
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3(C(=O)[O-])CCCC23)C1	REAL300005956856	0	53	0.0	-62.10	368.63	10.26	-51.84
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3(C(=O)[O-])CCCC23)C1	REAL300005956856	1	53	0.0	-62.10	368.63	10.26	-51.84
CN(C)CC1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)O1	REAL300005956861	0	44	0.0	-78.59	338.11	8.41	-70.18
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)O1	REAL300005956861	1	44	0.0	-78.59	338.11	8.41	-70.18
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3(C(=O)[O-])CCCC23)C1	REAL300005956866	0	53	0.0	-79.41	353.23	8.67	-70.74
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3(C(=O)[O-])CCCC23)C1	REAL300005956866	1	53	0.0	-79.41	353.23	8.67	-70.74
O=C([O-])C12CCCC1N(C(=O)C13CC(C1)C[N@@H+]3C1CC1)CC2	REAL300005956869	0	46	0.0	-67.64	332.35	9.35	-58.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CO)(C3CCOCC3)C2)C1	REAL300005956950	0	55	0.0	-45.68	381.46	4.53	-41.15
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CO)(C3CCOCC3)C2)C1	REAL300005956950	1	55	0.0	-45.68	381.46	4.53	-41.15
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@@H](CO)[C@H](C3CC3)C2)C1	REAL300005957045	0	48	0.0	-45.98	359.02	5.99	-39.99
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@@H](CO)[C@H](C3CC3)C2)C1	REAL300005957045	1	48	0.0	-47.26	353.34	5.96	-41.30
CC1=NC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300005958375	0	49	0.0	-83.40	382.22	9.44	-73.96
CC1=NC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005959134	0	46	0.0	-73.31	364.65	8.88	-64.43
CC1=NC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005959134	1	46	0.0	-71.59	358.37	8.32	-63.27
CC1=NC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1C(=O)[O-]	REAL300005960025	0	43	0.0	-78.76	334.46	7.29	-71.47
CC1=[NH+]C=C2CCC(C(=O)NC3=CN=C(C)C(C(=O)[O-])=C3)CN21	REAL300005960051	1	41	0.0	-69.88	327.99	6.95	-62.93
CC1=NC=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005960052	0	49	0.0	-72.94	383.88	9.30	-63.64
CC1=NC(C[NH+]2CCC(C(=O)NC3=CN=C(C)C(C(=O)[O-])=C3)CC2)=CS1	REAL300005960127	1	48	0.0	-83.05	389.27	7.15	-75.90
CC1=NC=C(NC(=O)C(C)N2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300005960128	1	44	0.0	-74.09	331.55	4.01	-70.08
CC1=NC=C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300005960208	0	52	0.0	-82.13	414.68	8.98	-73.15
CC1=NC=C(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300005960222	0	52	0.0	-82.45	415.11	11.29	-71.16
CC1=NC=C(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300005960222	1	52	0.0	-81.17	415.60	11.29	-69.88
CC1=NC=C(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300005960223	0	52	0.0	-72.01	394.36	9.86	-62.15
CC1=NC=C(NC(=O)CC[N@@H+](C)C2CCCCC2)C=C1C(=O)[O-]	REAL300005960308	0	48	0.0	-77.42	359.23	7.83	-69.59
CC1=NC=C(NC(=O)CC[N@H+](C)C2CCCCC2)C=C1C(=O)[O-]	REAL300005960308	1	48	0.0	-77.03	359.24	7.82	-69.21
CC1=NC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1C(=O)[O-]	REAL300005960391	0	42	0.0	-86.86	349.48	6.88	-79.98
CC1=NC=C(NC(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)C=C1C(=O)[O-]	REAL300005960396	0	52	0.0	-84.84	413.82	8.98	-75.86
CC1=NC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300005960420	0	49	0.0	-69.52	353.36	8.16	-61.36
CC1=NC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300005960420	1	49	0.0	-69.48	353.29	8.13	-61.35
CC1=NC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1C(=O)[O-]	REAL300005960421	0	50	0.0	-72.88	365.83	6.32	-66.56
CC1=[NH+]C=CN1CCCC(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005960452	1	40	0.0	-72.66	331.79	7.13	-65.53
CC1=NC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300005960453	1	46	0.0	-80.44	359.08	5.81	-74.63
CC[N@H+](CC1=CC=C(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300005960455	0	51	0.0	-83.40	383.78	9.16	-74.24
CC[N@@H+](CC1=CC=C(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300005960455	1	51	0.0	-84.29	379.37	8.99	-75.30
CC1=NC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300005960480	0	46	0.0	-76.56	365.92	8.70	-67.86
CC1=NC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300005960480	1	46	0.0	-77.66	363.76	8.60	-69.06
CC1=NC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1C(=O)[O-]	REAL300005960481	0	47	0.0	-85.13	364.96	8.10	-77.03
CC1=NC=C(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300005960509	1	51	0.0	-72.63	393.66	7.52	-65.11
CC1=NC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1C(=O)[O-]	REAL300005960510	0	50	0.0	-80.08	358.29	6.12	-73.96
CC1=NC=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005960513	1	45	0.0	-75.46	355.43	8.20	-67.26
CC1=NC=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005960513	1	45	0.0	-73.35	355.34	8.20	-65.15
CC1=NC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300005960524	0	52	0.0	-79.33	404.12	10.26	-69.07
CC1=NC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300005960524	1	52	0.0	-69.79	398.12	10.49	-59.30
CC1=NC=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C=C1C(=O)[O-]	REAL300005960554	0	41	0.0	-82.72	334.75	6.22	-76.50
CCC[NH+](CCC)CCCC(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005960565	0	50	0.0	-76.69	383.04	8.41	-68.28
CC[N@H+](C)C(C(=O)NC1=CN=C(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005960567	1	45	0.0	-72.76	348.12	8.16	-64.60
CC[N@@H+](C)C(C(=O)NC1=CN=C(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005960567	1	45	0.0	-69.36	352.81	8.34	-61.02
CC[NH+](CC)C(C(=O)NC1=CN=C(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005960572	0	48	0.0	-73.76	360.42	8.59	-65.17
CC1=NC=C(NC(=O)CN2C=C[NH+]=C2C(C)C)C=C1C(=O)[O-]	REAL300005960578	1	40	0.0	-67.76	330.19	7.00	-60.76
CC1=NC=C(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C=C1C(=O)[O-]	REAL300005960580	1	42	0.0	-70.41	352.27	8.22	-62.19
CC1=NC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300005960594	0	46	0.0	-87.44	363.50	8.87	-78.57
CC1=NC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1C(=O)[O-]	REAL300005960601	0	49	0.0	-77.32	380.54	9.54	-67.78
CCN1CCC([NH+]2CCC(C(=O)NC3=CN=C(C)C(C(=O)[O-])=C3)CC2)CC1	REAL300005960608	0	57	0.0	-80.45	414.89	7.03	-73.42
CC1=NC=C(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C=C1C(=O)[O-]	REAL300005960614	1	53	0.0	-90.23	413.83	8.58	-81.65
CC1=NC=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300005960626	1	50	0.0	-87.96	388.38	8.64	-79.32
CC1=NC=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300005960626	1	50	0.0	-86.11	394.83	8.69	-77.42
CC1=NC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005960639	1	49	0.0	-70.03	369.61	9.20	-60.83
CC1=NC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005960639	1	49	0.0	-72.45	378.70	9.37	-63.08
CC1=NC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300005960649	0	49	0.0	-86.39	380.54	9.55	-76.84
CC1=NC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1C(=O)[O-]	REAL300005960661	1	42	0.0	-79.33	345.32	6.38	-72.95
CC1=NC=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300005960662	0	45	0.0	-89.31	361.48	8.54	-80.77
CC1=NC=C(NC(=O)C2=CC=CC=C2OCC[N@H+]2CCCCC2C)C=C1C(=O)[O-]	REAL300005960681	0	56	0.0	-65.34	424.73	10.94	-54.40
CC1=NC=C(NC(=O)C2=CC=CC=C2OCC[N@@H+]2CCCCC2C)C=C1C(=O)[O-]	REAL300005960681	1	56	0.0	-61.33	417.49	10.65	-50.68
CC1=NC=C(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300005960688	0	55	0.0	-74.22	418.45	10.72	-63.50
CC1=NC=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005960729	1	45	0.0	-75.86	359.97	8.65	-67.21
CC1=NC=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005960729	1	45	0.0	-75.72	359.97	8.64	-67.08
COCCOCC[N@H+](C)CCC(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005960730	0	49	0.0	-76.30	388.85	4.84	-71.46
COCCOCC[N@@H+](C)CCC(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005960730	1	49	0.0	-76.98	389.01	4.84	-72.14
CC1=NC=C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300005960740	0	54	0.0	-81.07	415.12	8.37	-72.70
CCCCCC[N@H+](C)CC(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005960744	0	47	0.0	-74.08	364.56	7.96	-66.12
CCCCCC[N@@H+](C)CC(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005960744	1	47	0.0	-74.12	364.63	7.96	-66.16
CC1=NC=C(NC(=O)C[N@@H+](C)C2CCSC2)C=C1C(=O)[O-]	REAL300005960771	1	40	0.0	-76.58	320.32	6.44	-70.14
CC1=NC=C(NC(=O)C[N@H+](C)C2CCSC2)C=C1C(=O)[O-]	REAL300005960771	1	40	0.0	-77.20	321.57	6.43	-70.77
CC1=NC=C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300005960782	0	50	0.0	-75.96	376.18	5.39	-70.57
CC1=NC=C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300005960783	0	53	0.0	-74.90	397.67	6.21	-68.69
CC1=NC=C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C=C1C(=O)[O-]	REAL300005960783	1	53	0.0	-76.82	393.99	5.99	-70.83
CC1=NC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1C(=O)[O-]	REAL300005960784	0	43	0.0	-65.50	324.47	7.03	-58.47
CC1=NC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1C(=O)[O-]	REAL300005960784	1	43	0.0	-70.78	320.89	6.83	-63.95
CC1=NC=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C=C1C(=O)[O-]	REAL300005960786	0	42	0.0	-84.17	344.85	5.73	-78.44
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CN=C(C)C(C(=O)[O-])=C3)CC2)=C1	REAL300005960792	0	54	0.0	-80.60	415.02	8.23	-72.37
CC1=NC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300005960793	0	51	0.0	-80.57	393.12	7.53	-73.04
CC1=NC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C1C(=O)[O-]	REAL300005960795	0	48	0.0	-77.67	376.53	7.63	-70.04
CC1=NC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C1C(=O)[O-]	REAL300005960795	1	48	0.0	-72.21	370.18	7.75	-64.46
CC1=NC=C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300005960800	1	46	0.0	-74.72	355.70	8.78	-65.94
CC1=NC=C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300005960800	1	46	0.0	-72.89	355.48	8.71	-64.18
CC1=NC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300005960827	0	49	0.0	-83.29	387.34	9.50	-73.79
CC1=NC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300005960827	1	49	0.0	-82.74	386.10	9.45	-73.29
CC1=NC=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300005960840	0	42	0.0	-90.11	345.50	5.73	-84.38
CC1=NC=C(NC(=O)C2=CC=NN2CC[NH+](C)C)C=C1C(=O)[O-]	REAL300005960841	0	42	0.0	-60.48	340.19	5.69	-54.79
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005960847	1	43	0.0	-70.00	346.77	7.42	-62.58
CC1=NC=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C=C1C(=O)[O-]	REAL300005960850	1	43	0.0	-83.09	345.99	5.28	-77.81
CC1=NC=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C=C1C(=O)[O-]	REAL300005960850	1	43	0.0	-79.54	342.48	4.77	-74.77
CC1=NC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=C1C(=O)[O-]	REAL300005960861	0	49	0.0	-77.35	381.89	9.65	-67.70
CC1=NC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=C1C(=O)[O-]	REAL300005960861	1	49	0.0	-71.32	381.73	9.67	-61.65
CC1=NC=C(NC(=O)C(C)C[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300005960866	1	43	0.0	-76.75	331.66	4.94	-71.81
CC1=NC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C1C(=O)[O-]	REAL300005960867	0	50	0.0	-80.37	391.36	6.98	-73.39
CC1=NC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1C(=O)[O-]	REAL300005960937	0	43	0.0	-75.06	317.97	6.41	-68.65
CC1=NC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1C(=O)[O-]	REAL300005960941	0	43	0.0	-71.88	322.61	6.73	-65.15
CC1=NC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1C(=O)[O-]	REAL300005960941	1	43	0.0	-67.88	328.12	7.18	-60.70
CC1=NC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C=C1C(=O)[O-]	REAL300005960943	0	54	0.0	-78.85	413.87	8.30	-70.55
CC1=NC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C=C1C(=O)[O-]	REAL300005960943	1	54	0.0	-81.49	414.17	8.36	-73.13
CC1=NC=C(NC(=O)C(C)(C)C[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300005960950	0	46	0.0	-69.35	341.04	5.28	-64.07
CC1=NC=C(NC(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300005960955	0	55	0.0	-84.06	411.38	7.90	-76.16
CC1=NC=C(NC(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300005960955	1	55	0.0	-82.76	404.17	7.42	-75.34
CC1=NC=C(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300005960956	0	49	0.0	-89.44	380.14	6.68	-82.76
CC1=NC=C(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300005960956	1	49	0.0	-89.78	384.63	7.03	-82.75
CC1=NC=C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C=C1C(=O)[O-]	REAL300005960961	0	51	0.0	-76.61	397.66	7.11	-69.50
CC1=NC=C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C=C1C(=O)[O-]	REAL300005960962	0	51	0.0	-83.58	401.75	7.23	-76.35
CC1=NC=C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300005960962	1	51	0.0	-88.10	397.07	7.00	-81.10
CC1=NC=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300005961077	0	42	0.0	-77.32	338.97	7.70	-69.62
CC1=NC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300005961078	0	49	0.0	-70.77	375.48	9.58	-61.19
CC1=NC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300005961078	1	49	0.0	-70.82	375.30	9.58	-61.24
C#CC[NH+]1CCC(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)CC1	REAL300005961138	0	41	0.0	-81.27	330.89	7.08	-74.19
CCC[N@@H+]1CCCCC1C(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005961140	0	45	0.0	-70.14	341.96	7.22	-62.92
CCC[N@H+]1CCCCC1C(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005961140	1	45	0.0	-70.10	341.66	7.21	-62.89
CC1=NC=C(NC(=O)C2=CC=CC=C2C[NH+](C)C)C=C1C(=O)[O-]	REAL300005961142	0	42	0.0	-54.35	331.72	7.93	-46.42
CC1=NC=C(NC(=O)C(C(C)C)[NH+]2CCCCC2)C=C1C(=O)[O-]	REAL300005961145	0	48	0.0	-70.48	350.33	8.10	-62.38
CC1=NC=C(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)C=C1C(=O)[O-]	REAL300005961146	1	42	0.0	-68.20	334.97	7.70	-60.50
CC1=NC=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300005961150	0	47	0.0	-72.34	374.00	5.68	-66.66
CC1=NC=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300005961150	1	47	0.0	-71.97	374.61	5.69	-66.28
CC1=NC=C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C=C1C(=O)[O-]	REAL300005961156	1	43	0.0	-69.28	346.23	7.38	-61.90
CC1=NC=C(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300005961157	0	45	0.0	-61.14	366.13	8.06	-53.08
CC1=NC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300005961161	0	46	0.0	-70.72	343.57	7.72	-63.00
CC1=NC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300005961161	1	46	0.0	-75.45	340.11	7.54	-67.91
CC1=NC=C(NC(=O)C(C)[NH+]2CCCCCC2)C=C1C(=O)[O-]	REAL300005961190	0	45	0.0	-69.51	328.54	7.12	-62.39
CC1=NC=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C=C1C(=O)[O-]	REAL300005961223	1	47	0.0	-83.21	373.69	8.12	-75.09
CC1=NC=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C=C1C(=O)[O-]	REAL300005961223	1	47	0.0	-83.04	373.67	8.12	-74.92
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)O1	REAL300005961280	0	45	0.0	-81.04	360.11	7.37	-73.67
CC1=NC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1C(=O)[O-]	REAL300005961281	0	45	0.0	-77.10	352.16	7.54	-69.56
CC1=CC=C(N2CCC(C(=O)NC3=CN=C(C)C(C(=O)[O-])=C3)CC2)[NH+]=C1	REAL300005961282	1	48	0.0	-77.01	375.13	7.28	-69.73
CC1=NC=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005961283	1	42	0.0	-77.80	337.49	7.80	-70.00
CC1=NC=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300005961283	1	42	0.0	-78.65	337.25	7.83	-70.82
CC1=NC=C(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C=C1C(=O)[O-]	REAL300005961287	0	54	0.0	-86.80	407.01	8.06	-78.74
CC1=NC=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300005961329	1	38	0.0	-80.52	318.90	5.19	-75.33
CC1=NC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300005961335	0	49	0.0	-82.19	385.59	9.26	-72.93
CC1=NC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300005961335	1	49	0.0	-85.60	384.33	9.19	-76.41
CC1=NC=C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300005961356	0	50	0.0	-87.02	403.01	8.70	-78.32
CC1=NC=C(NC(=O)COC2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300005961372	0	43	0.0	-84.91	340.49	6.23	-78.68
CC1=NC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1C(=O)[O-]	REAL300005961378	0	46	0.0	-83.06	366.96	7.90	-75.16
CC1=NC=C(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C=C1C(=O)[O-]	REAL300005961418	0	48	0.0	-82.92	375.04	7.41	-75.51
CC1=NC=C(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C=C1C(=O)[O-]	REAL300005961418	1	48	0.0	-77.15	372.06	7.45	-69.70
CCC[N@@H+]1CCCC(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)C1	REAL300005961556	0	45	0.0	-64.67	338.55	7.43	-57.24
CCC[N@H+]1CCCC(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)C1	REAL300005961556	1	45	0.0	-74.15	344.84	7.23	-66.92
CC1=NC=C(NC(=O)C2CCC[N@H+]2CC(C)C)C=C1C(=O)[O-]	REAL300005961588	0	45	0.0	-71.70	339.44	6.89	-64.81
CC1=NC=C(NC(=O)C2CCC[N@@H+]2CC(C)C)C=C1C(=O)[O-]	REAL300005961588	1	45	0.0	-68.59	345.09	7.31	-61.28
CC1=NC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1C(=O)[O-]	REAL300005961591	1	43	0.0	-76.64	334.23	3.38	-73.26
CC1=NC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1C(=O)[O-]	REAL300005961681	0	50	0.0	-84.21	388.86	9.67	-74.54
CC1=NC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1C(=O)[O-]	REAL300005961681	1	50	0.0	-81.85	389.55	9.71	-72.14
CC1=NC=C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C=C1C(=O)[O-]	REAL300005961801	0	45	0.0	-66.09	333.13	7.21	-58.88
CC1=NC=C(NC(=O)C2CCC[N@H+](C(C)C)C2)C=C1C(=O)[O-]	REAL300005961801	1	45	0.0	-65.98	333.25	7.19	-58.79
CC1=NC=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C=C1C(=O)[O-]	REAL300005961802	0	39	0.0	-82.61	324.16	5.94	-76.67
CC1=NC=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C=C1C(=O)[O-]	REAL300005961802	1	39	0.0	-78.15	317.43	5.89	-72.26
CC1=C(C)[NH+]=C(CCC(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)N1	REAL300005961827	1	40	0.0	-70.72	330.77	5.52	-65.20
CC1=NC=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300005962275	0	45	0.0	-78.71	361.46	8.53	-70.18
CC1=NC=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300005962281	0	46	0.0	-84.87	369.13	7.49	-77.38
CC1=NC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300005962369	0	52	0.0	-77.23	400.52	10.15	-67.08
CC1=NC=C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C=C1C(=O)[O-]	REAL300005962371	1	50	0.0	-89.63	385.73	7.87	-81.76
CC1=NC=C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C=C1C(=O)[O-]	REAL300005962371	1	50	0.0	-89.84	385.78	7.87	-81.97
CC1=NC=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C1C(=O)[O-]	REAL300005962408	0	45	0.0	-71.40	332.79	6.89	-64.51
CC1=NC=C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C=C1C(=O)[O-]	REAL300005962470	0	48	0.0	-68.21	352.88	8.11	-60.10
CC1=NC=C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C=C1C(=O)[O-]	REAL300005962470	1	48	0.0	-68.21	352.88	8.11	-60.10
CC1=NC=C(NC(=O)C2=CC=C(CN(C)C)O2)C=C1C(=O)[O-]	REAL300005962475	0	39	0.0	-84.11	325.39	6.02	-78.09
CC1=NC=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C=C1C(=O)[O-]	REAL300005962475	1	39	0.0	-84.11	325.39	6.02	-78.09
CC1=NC=C(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C1C(=O)[O-]	REAL300005962480	0	48	0.0	-78.25	350.86	7.33	-70.92
CC1=NC=C(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C1C(=O)[O-]	REAL300005962480	1	48	0.0	-78.25	350.86	7.33	-70.92
CC1=NC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1C(=O)[O-]	REAL300005962483	0	41	0.0	-73.66	318.52	6.95	-66.71
CC1=NC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1C(=O)[O-]	REAL300005962483	1	41	0.0	-79.14	321.27	7.33	-71.81
CC1=NC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1C(=O)[O-]	REAL300005962483	1	41	0.0	-79.14	321.27	7.33	-71.81
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300005962566	0	49	0.0	-50.87	382.45	3.74	-47.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CNN=C2C2=CC=CC(F)=C2)C1	REAL300005962695	0	47	0.0	-53.77	370.54	8.23	-45.54
CC1=C(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C(C(=O)[O-])S1	REAL300005963986	0	50	0.0	-77.38	406.16	10.67	-66.71
CC1=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300005964687	0	47	0.0	-66.57	382.92	9.55	-57.02
CC1=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300005964687	1	47	0.0	-68.83	388.96	10.09	-58.74
CC1=C(CNC(=O)C2CC[NH+](C3CC3)CC2)C=C(C(=O)[O-])S1	REAL300005965619	0	44	0.0	-74.19	354.50	8.29	-65.90
CC1=C(CNC(=O)C2CCC[N@@H+]2C2CC2)C=C(C(=O)[O-])S1	REAL300005965649	0	41	0.0	-67.06	338.01	7.53	-59.53
CC1=C(CNC(=O)C2CCC[N@H+]2C2CC2)C=C(C(=O)[O-])S1	REAL300005965649	1	41	0.0	-66.01	337.60	7.75	-58.26
CC1=[NH+]C=C2CCC(C(=O)NCC3=C(C)SC(C(=O)[O-])=C3)CN21	REAL300005965655	1	42	0.0	-67.07	353.43	8.19	-58.88
CC1=C(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300005965656	0	50	0.0	-68.00	408.01	10.54	-57.46
CC1=NC(C[NH+]2CCC(C(=O)NCC3=C(C)SC(C(=O)[O-])=C3)CC2)=CS1	REAL300005965734	1	49	0.0	-77.43	413.60	8.43	-69.00
CC1=C(CNC(=O)C(C)N2CC[NH+](C)CC2)C=C(C(=O)[O-])S1	REAL300005965735	1	45	0.0	-73.97	358.34	5.27	-68.70
CC1=C(CNC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C=C(C(=O)[O-])S1	REAL300005965821	0	53	0.0	-77.75	439.13	10.20	-67.55
CC1=C(CNC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C=C(C(=O)[O-])S1	REAL300005965834	0	53	0.0	-76.44	418.81	11.08	-65.36
CC1=C(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C(C(=O)[O-])S1	REAL300005965891	0	35	0.0	-73.54	315.24	8.94	-64.60
CC1=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)C=C(C(=O)[O-])S1	REAL300005965923	0	49	0.0	-66.17	369.57	9.11	-57.06
CC1=C(CNC(=O)CC[N@@H+](C)C2CCCCC2)C=C(C(=O)[O-])S1	REAL300005965928	0	49	0.0	-73.65	383.49	9.03	-64.62
CC1=C(CNC(=O)CC[N@H+](C)C2CCCCC2)C=C(C(=O)[O-])S1	REAL300005965928	1	49	0.0	-74.15	383.48	9.04	-65.11
CC1=C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C=C(C(=O)[O-])S1	REAL300005965949	1	50	0.0	-72.23	401.65	10.46	-61.77
CC1=C(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C=C(C(=O)[O-])S1	REAL300005965949	1	50	0.0	-74.70	400.69	10.49	-64.21
CC1=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C(C(=O)[O-])S1	REAL300005965950	1	47	0.0	-75.78	396.77	10.20	-65.58
CC1=C(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=C(C(=O)[O-])S1	REAL300005965950	1	47	0.0	-73.18	395.38	10.16	-63.02
CC1=C(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C(C(=O)[O-])S1	REAL300005966004	0	43	0.0	-76.62	374.32	8.06	-68.56
CC1=C(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C(C(=O)[O-])S1	REAL300005966029	0	50	0.0	-66.61	383.03	9.24	-57.37
CC1=C(CNC(=O)C2CCCC[N@H+]2C2CCCC2)C=C(C(=O)[O-])S1	REAL300005966029	1	50	0.0	-66.95	377.73	9.38	-57.57
CC1=C(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C(C(=O)[O-])S1	REAL300005966030	0	51	0.0	-78.16	396.81	7.70	-70.46
CC1=[NH+]C=CN1CCCC(=O)NCC1=C(C)SC(C(=O)[O-])=C1	REAL300005966061	1	41	0.0	-71.14	356.04	8.36	-62.78
CC1=C(CNC(=O)CCCC[NH+]2CCOCC2)C=C(C(=O)[O-])S1	REAL300005966062	1	47	0.0	-77.11	383.34	7.04	-70.07
CC[N@H+](CC1=CC=C(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300005966064	0	52	0.0	-77.83	403.72	10.18	-67.65
CC[N@@H+](CC1=CC=C(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300005966064	1	52	0.0	-78.47	403.36	10.29	-68.18
CC1=C(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300005966092	0	47	0.0	-74.73	388.20	9.82	-64.91
CC1=C(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300005966092	1	47	0.0	-73.56	388.26	9.84	-63.72
CC1=C(CNC(=O)C2CC[NH+](C3CCSC3)CC2)C=C(C(=O)[O-])S1	REAL300005966093	0	48	0.0	-78.41	384.89	9.08	-69.33
CC1=C(CNC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C=C(C(=O)[O-])S1	REAL300005966121	1	52	0.0	-74.70	418.50	8.72	-65.98
CC1=C(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C(C(=O)[O-])S1	REAL300005966122	0	51	0.0	-73.55	381.82	7.29	-66.26
CCC(C(=O)NCC1=C(C)SC(C(=O)[O-])=C1)[NH+](CC)CC	REAL300005966126	0	45	0.0	-66.08	351.24	7.74	-58.34
CC1=C(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300005966128	0	46	0.0	-72.31	380.22	9.44	-62.87
CC1=C(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300005966128	1	46	0.0	-73.07	379.85	9.42	-63.65
CC1=C(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300005966138	0	53	0.0	-69.03	422.48	11.69	-57.34
CC1=C(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300005966138	1	53	0.0	-77.15	428.73	11.49	-65.66
CC1=C(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)C=C(C(=O)[O-])S1	REAL300005966164	0	42	0.0	-78.78	359.93	7.42	-71.36
CCC[NH+](CCC)CCCC(=O)NCC1=C(C)SC(C(=O)[O-])=C1	REAL300005966174	0	51	0.0	-73.75	407.63	9.67	-64.08
CC1=C(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C=C(C(=O)[O-])S1	REAL300005966175	1	51	0.0	-71.98	413.17	7.39	-64.59
CC[N@H+](C)C(C(=O)NCC1=C(C)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005966176	0	46	0.0	-69.29	378.50	9.57	-59.72
CC[N@@H+](C)C(C(=O)NCC1=C(C)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005966176	1	46	0.0	-64.68	377.56	9.60	-55.08
CC[NH+](CC)C(C(=O)NCC1=C(C)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005966181	0	49	0.0	-70.72	383.01	9.75	-60.97
CC1=C(CNC(=O)CN2C=C[NH+]=C2C(C)C)C=C(C(=O)[O-])S1	REAL300005966189	1	41	0.0	-67.44	350.70	8.17	-59.27
CC1=C(CNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C=C(C(=O)[O-])S1	REAL300005966193	1	43	0.0	-69.94	376.46	9.45	-60.49
CC1=C(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300005966206	0	47	0.0	-79.29	388.03	10.07	-69.22
CC1=C(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C(C(=O)[O-])S1	REAL300005966213	0	50	0.0	-75.14	404.79	10.77	-64.37
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CC1=C(CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C(C(=O)[O-])S1	REAL300005966239	1	51	0.0	-82.23	412.62	9.93	-72.30
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CC1=C(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300005966253	1	50	0.0	-69.96	394.28	10.44	-59.52
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CC1=C(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C(C(=O)[O-])S1	REAL300005966276	1	43	0.0	-80.83	368.48	7.53	-73.30
CC1=C(CNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C=C(C(=O)[O-])S1	REAL300005966277	0	46	0.0	-81.79	385.73	9.78	-72.01
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=C(C)SC(C(=O)[O-])=C1	REAL300005966289	1	39	0.0	-64.72	335.31	6.45	-58.27
CC1=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C(C(=O)[O-])S1	REAL300005966290	1	48	0.0	-70.60	392.05	9.30	-61.30
CC1=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C(C(=O)[O-])S1	REAL300005966290	1	48	0.0	-76.05	400.12	9.42	-66.63
CC1=C(CNC(=O)C(C)[NH+]2CCSCC2)C=C(C(=O)[O-])S1	REAL300005966346	1	41	0.0	-71.21	340.45	7.28	-63.93
CC1=C(CNC(=O)C[N@@H+](C)CC(C)(C)C)C=C(C(=O)[O-])S1	REAL300005966352	0	45	0.0	-71.05	354.70	7.94	-63.11
CC1=C(CNC(=O)C[N@H+](C)CC(C)(C)C)C=C(C(=O)[O-])S1	REAL300005966352	1	45	0.0	-70.64	354.70	7.95	-62.69
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CC1=C(CNC(=O)C23CCC[NH+]2CCC3)C=C(C(=O)[O-])S1	REAL300005966389	0	41	0.0	-70.96	330.59	7.38	-63.58
CC1=C(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C(C(=O)[O-])S1	REAL300005966397	1	35	0.0	-76.73	315.51	8.95	-67.78
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CC1=C(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C(C(=O)[O-])S1	REAL300005966445	0	49	0.0	-77.43	401.11	8.85	-68.58
CC1=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C(C(=O)[O-])S1	REAL300005966445	1	49	0.0	-73.84	395.70	8.93	-64.91
CC1=C(CNC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C=C(C(=O)[O-])S1	REAL300005966450	1	47	0.0	-69.87	383.41	9.81	-60.06
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CC1=C(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300005966474	1	50	0.0	-77.35	408.03	10.59	-66.76
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CC[C@@H]1[C@@H](C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300005966499	0	43	0.0	-72.45	342.96	7.08	-65.37
CC[C@@H]1[C@@H](C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)CC[N@H+]1C	REAL300005966499	1	43	0.0	-71.55	346.95	7.49	-64.06
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=C(C)SC(C(=O)[O-])=C1	REAL300005966503	1	39	0.0	-66.99	332.66	7.15	-59.84
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CC1=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=C(C(=O)[O-])S1	REAL300005966517	1	50	0.0	-73.19	406.33	10.89	-62.30
CC1=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C=C(C(=O)[O-])S1	REAL300005966518	1	46	0.0	-65.81	379.67	7.95	-57.86
CC1=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C=C(C(=O)[O-])S1	REAL300005966518	1	46	0.0	-71.57	385.48	8.29	-63.28
CC1=C(CNC(=O)C(C)C[NH+]2CCOCC2)C=C(C(=O)[O-])S1	REAL300005966523	0	44	0.0	-74.42	356.37	6.17	-68.25
CC1=C(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C(C(=O)[O-])S1	REAL300005966524	0	51	0.0	-78.34	415.63	8.20	-70.14
CC1=C(CNC(=O)C[NH+]2CCC(C)CC2)C=C(C(=O)[O-])S1	REAL300005966534	0	43	0.0	-71.65	348.03	7.94	-63.71
CC[N@@H+]1CCOC(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)C1	REAL300005966549	1	41	0.0	-79.58	340.23	6.53	-73.05
CC[N@H+]1CCOC(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)C1	REAL300005966549	1	41	0.0	-74.68	340.27	6.54	-68.14
CC1=C(CNC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C=C(C(=O)[O-])S1	REAL300005966588	1	50	0.0	-82.81	402.61	8.88	-73.93
CC1=C(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C(C(=O)[O-])S1	REAL300005966589	0	50	0.0	-72.94	389.73	9.31	-63.63
CC1=C(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C(C(=O)[O-])S1	REAL300005966589	1	50	0.0	-73.49	390.42	9.31	-64.18
CC1=C(CNC(=O)CCC2CCC[N@H+]2C)C=C(C(=O)[O-])S1	REAL300005966596	0	43	0.0	-72.94	346.96	7.48	-65.46
CC1=C(CNC(=O)CCC2CCC[N@@H+]2C)C=C(C(=O)[O-])S1	REAL300005966596	1	43	0.0	-72.41	347.93	7.42	-64.99
CC1=C(CNC(=O)C23CCC[NH+](CCC2)C3)C=C(C(=O)[O-])S1	REAL300005966609	0	44	0.0	-73.93	342.48	7.63	-66.30
CC1=C(CNC(=O)C2(C)CC(O)C[N@H+]2C)C=C(C(=O)[O-])S1	REAL300005966613	0	41	0.0	-76.55	328.83	3.68	-72.87
CC1=C(CNC(=O)C2(C)CC(O)C[N@@H+]2C)C=C(C(=O)[O-])S1	REAL300005966613	1	41	0.0	-71.32	332.65	3.75	-67.57
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CC1=C(CNC(=O)C2CCC3CCCC[N@H+]32)C=C(C(=O)[O-])S1	REAL300005966614	1	44	0.0	-68.25	345.77	7.92	-60.33
CC1=C(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C=C(C(=O)[O-])S1	REAL300005966622	0	47	0.0	-73.19	365.87	6.52	-66.67
CC1=C(CNC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C=C(C(=O)[O-])S1	REAL300005966627	0	50	0.0	-79.75	401.48	7.81	-71.94
CC1=C(CNC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C=C(C(=O)[O-])S1	REAL300005966627	1	50	0.0	-78.97	409.09	8.26	-70.71
CC1=C(CNC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C=C(C(=O)[O-])S1	REAL300005966632	0	52	0.0	-75.95	421.84	8.35	-67.60
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CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300005966634	0	53	0.0	-76.92	424.40	9.78	-67.14
CC1=C(CNC(=O)C2CC[NH+](C(C)C)CC2)C=C(C(=O)[O-])S1	REAL300005966642	0	46	0.0	-74.19	360.33	8.05	-66.14
CC1=C(CNC(=O)C23CC[N@H+](C2)CCC3)C=C(C(=O)[O-])S1	REAL300005966729	0	41	0.0	-77.30	325.93	6.74	-70.56
CC1=C(CNC(=O)C23CC[N@@H+](C2)CCC3)C=C(C(=O)[O-])S1	REAL300005966729	1	41	0.0	-72.99	326.77	6.66	-66.33
CC1=C(CNC(=O)C[NH+]2C(C)CCC2C)C=C(C(=O)[O-])S1	REAL300005966782	0	43	0.0	-67.67	342.21	7.47	-60.20
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CC1=C(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300005966784	0	50	0.0	-70.07	399.97	10.82	-59.25
CC1=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300005966784	1	50	0.0	-73.37	406.18	10.62	-62.75
C#CC[NH+]1CCC(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300005966854	0	42	0.0	-76.10	354.32	8.25	-67.85
CCC[N@@H+]1CCCCC1C(=O)NCC1=C(C)SC(C(=O)[O-])=C1	REAL300005966856	0	46	0.0	-69.26	356.93	8.26	-61.00
CCC[N@H+]1CCCCC1C(=O)NCC1=C(C)SC(C(=O)[O-])=C1	REAL300005966856	1	46	0.0	-68.40	366.37	8.42	-59.98
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CC[NH+]1CCN(CCC(=O)NCC2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300005966859	0	48	0.0	-73.44	382.52	5.95	-67.49
CCN1CC[NH+](CCC(=O)NCC2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300005966859	1	48	0.0	-73.89	383.68	6.10	-67.79
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CC1=C(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300005966866	1	48	0.0	-71.23	398.35	6.84	-64.39
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CC1=C(CNC(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)C=C(C(=O)[O-])S1	REAL300005966909	1	53	0.0	-65.67	398.02	7.86	-57.81
CC1=C(CNC(=O)C(C)[NH+]2CCCCCC2)C=C(C(=O)[O-])S1	REAL300005966910	0	46	0.0	-68.04	355.13	7.86	-60.18
CC1=C(CNC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C=C(C(=O)[O-])S1	REAL300005966948	1	48	0.0	-81.64	398.02	9.37	-72.27
CC1=C(CNC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C=C(C(=O)[O-])S1	REAL300005966948	1	48	0.0	-81.45	399.16	9.29	-72.16
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)O1	REAL300005967003	0	46	0.0	-75.11	385.43	8.60	-66.51
CC1=C(CNC(=O)CCCC[NH+]2CCCC2)C=C(C(=O)[O-])S1	REAL300005967004	0	46	0.0	-73.96	376.40	8.76	-65.20
CC1=C(CNC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C=C(C(=O)[O-])S1	REAL300005967006	1	49	0.0	-70.68	399.10	8.52	-62.16
CC1=C(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300005967007	1	43	0.0	-75.34	361.74	9.03	-66.31
CC1=C(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300005967007	1	43	0.0	-75.10	361.73	9.04	-66.06
CC1=C(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C=C(C(=O)[O-])S1	REAL300005967029	1	38	0.0	-80.67	344.37	6.88	-73.79
CC1=C(CNC(=O)C2=NOC(C[NH+](C)C)=C2)C=C(C(=O)[O-])S1	REAL300005967060	1	39	0.0	-82.39	344.20	6.47	-75.92
CC1=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C=C(C(=O)[O-])S1	REAL300005967064	0	50	0.0	-77.23	409.78	10.40	-66.83
CC1=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C=C(C(=O)[O-])S1	REAL300005967064	1	50	0.0	-75.80	405.75	10.41	-65.39
CC1=C(CNC(=O)C2CCC[N@H+]2C(C)C)C=C(C(=O)[O-])S1	REAL300005967081	0	43	0.0	-70.17	336.69	7.60	-62.57
CC1=C(CNC(=O)C2CCC[N@@H+]2C(C)C)C=C(C(=O)[O-])S1	REAL300005967081	1	43	0.0	-66.99	344.03	7.55	-59.44
CC1=C(CNC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C=C(C(=O)[O-])S1	REAL300005967088	0	51	0.0	-79.45	427.56	9.92	-69.53
CC1=C(CNC(=O)COC2CC[NH+](C)CC2)C=C(C(=O)[O-])S1	REAL300005967108	0	44	0.0	-79.08	365.02	7.54	-71.54
CC1=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C(C(=O)[O-])S1	REAL300005967113	0	47	0.0	-76.32	390.17	9.02	-67.30
CC1=C(CNC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300005967158	0	49	0.0	-70.76	399.07	8.61	-62.15
CC1=C(CNC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300005967158	1	49	0.0	-66.94	397.74	8.73	-58.21
CCC[N@@H+]1CCCC(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)C1	REAL300005967311	0	46	0.0	-72.15	368.82	8.46	-63.69
CCC[N@H+]1CCCC(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)C1	REAL300005967311	1	46	0.0	-66.34	363.47	8.62	-57.72
CC1=C(CNC(=O)C2CCC[N@H+]2CC(C)C)C=C(C(=O)[O-])S1	REAL300005967344	0	46	0.0	-69.80	352.22	8.38	-61.42
CC1=C(CNC(=O)C2CCC[N@@H+]2CC(C)C)C=C(C(=O)[O-])S1	REAL300005967344	1	46	0.0	-68.10	359.03	8.70	-59.40
CC1=C(CNC(=O)C[NH+]2CCC(CO)CC2)C=C(C(=O)[O-])S1	REAL300005967345	1	44	0.0	-72.56	358.86	4.63	-67.93
CC1=C(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C(C(=O)[O-])S1	REAL300005967447	0	51	0.0	-70.81	413.97	10.92	-59.89
CC1=C(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C(C(=O)[O-])S1	REAL300005967447	1	51	0.0	-71.90	415.28	10.90	-61.00
CC1=C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C(C(=O)[O-])S1	REAL300005967488	1	50	0.0	-71.43	410.18	10.65	-60.78
CC1=C(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=C(C(=O)[O-])S1	REAL300005967488	1	50	0.0	-75.16	400.69	10.50	-64.66
CC1=C(CNC(=O)C2CCC[N@@H+](C(C)C)C2)C=C(C(=O)[O-])S1	REAL300005967583	0	46	0.0	-67.42	358.65	8.39	-59.03
CC1=C(CNC(=O)C2CCC[N@H+](C(C)C)C2)C=C(C(=O)[O-])S1	REAL300005967583	1	46	0.0	-69.98	363.99	8.22	-61.76
CC1=C(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300005967584	0	40	0.0	-81.49	348.75	7.26	-74.23
CC1=C(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300005967584	1	40	0.0	-76.65	340.66	7.12	-69.53
CC1=C(C)[NH+]=C(CCC(=O)NCC2=C(C)SC(C(=O)[O-])=C2)N1	REAL300005967608	1	41	0.0	-67.80	355.31	6.73	-61.07
CC1=C(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C=C(C(=O)[O-])S1	REAL300005968108	0	46	0.0	-78.79	385.72	9.76	-69.03
CC1=C(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C=C(C(=O)[O-])S1	REAL300005968116	0	47	0.0	-79.03	393.02	8.72	-70.31
CC1=C(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C(C(=O)[O-])S1	REAL300005968218	0	53	0.0	-74.70	424.78	11.38	-63.32
CC1=C(CNC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C=C(C(=O)[O-])S1	REAL300005968220	1	51	0.0	-81.69	410.60	9.09	-72.60
CC1=C(CNC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C=C(C(=O)[O-])S1	REAL300005968220	1	51	0.0	-81.89	410.58	9.10	-72.79
CC1=C(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C(C(=O)[O-])S1	REAL300005968267	0	46	0.0	-65.72	357.36	8.14	-57.58
CC1=C(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)C=C(C(=O)[O-])S1	REAL300005968334	0	49	0.0	-66.36	379.97	9.36	-57.00
CC1=C(CNC(=O)C2CCC[N@H+](CC(C)C)C2)C=C(C(=O)[O-])S1	REAL300005968334	1	49	0.0	-66.36	379.97	9.36	-57.00
CC[N@@H+]1CCCC(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)C1	REAL300005968335	0	43	0.0	-71.04	347.31	7.71	-63.33
CC[N@H+]1CCCC(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)C1	REAL300005968335	1	43	0.0	-71.04	347.31	7.71	-63.33
CC1=C(CNC(=O)C2=CC=C(CN(C)C)O2)C=C(C(=O)[O-])S1	REAL300005968341	0	40	0.0	-78.02	348.58	7.14	-70.88
CC1=C(CNC(=O)C2=CC=C(C[NH+](C)C)O2)C=C(C(=O)[O-])S1	REAL300005968341	1	40	0.0	-78.02	348.58	7.14	-70.88
CC1=C(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C(C(=O)[O-])S1	REAL300005968347	0	49	0.0	-76.33	367.42	8.12	-68.21
CC1=C(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C(C(=O)[O-])S1	REAL300005968347	1	49	0.0	-76.33	367.42	8.12	-68.21
CC1=C(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C(C(=O)[O-])S1	REAL300005968350	0	42	0.0	-69.48	336.07	8.40	-61.08
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C1	REAL300005968464	0	49	0.0	-58.02	384.46	8.89	-49.13
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C1	REAL300005968464	1	49	0.0	-58.02	384.46	8.89	-49.13
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)N=N1	REAL300005969478	0	56	0.0	-88.98	431.74	10.22	-78.76
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)N=N1	REAL300005970034	0	53	0.0	-70.73	408.55	10.33	-60.40
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)N=N1	REAL300005970034	1	53	0.0	-78.38	411.50	9.33	-69.05
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CC[NH+](C3CC3)CC2)N=N1	REAL300005970864	0	50	0.0	-75.06	379.82	8.76	-66.30
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@@H+]2C2CC2)N=N1	REAL300005970889	0	47	0.0	-75.06	368.98	7.64	-67.42
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@H+]2C2CC2)N=N1	REAL300005970889	1	47	0.0	-61.75	342.08	7.43	-54.32
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3CN3C=C(C(=O)[O-])N=N3)CN21	REAL300005970895	1	48	0.0	-67.17	375.52	8.42	-58.75
O=C([O-])C1=CN(CC2CCCN2C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)N=N1	REAL300005970896	0	56	0.0	-86.58	421.48	10.62	-75.96
C[N@@H+]1CCCCC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005970974	0	46	0.0	-75.42	355.66	6.81	-68.61
C[N@H+]1CCCCC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005970974	1	46	0.0	-77.18	344.00	6.37	-70.81
CC(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)N1CC[NH+](C)CC1	REAL300005970975	1	51	0.0	-65.94	377.82	5.50	-60.44
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971015	0	46	0.0	-61.67	342.22	7.08	-54.59
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971015	1	46	0.0	-77.21	343.81	6.33	-70.88
C[NH+]1CCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005971101	0	46	0.0	-86.43	355.22	6.65	-79.78
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)N=N1	REAL300005971131	0	41	0.0	-81.29	341.51	9.21	-72.08
C[NH+](C)CC1(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CCCCC1	REAL300005971165	0	55	0.0	-79.72	380.42	8.25	-71.47
C[N@H+](CCC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1CCCCC1	REAL300005971170	0	55	0.0	-72.12	404.28	9.43	-62.69
C[N@@H+](CCC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1CCCCC1	REAL300005971170	1	55	0.0	-83.29	413.81	8.91	-74.38
C[N@@H+]1CCCC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971186	0	43	0.0	-77.17	337.61	6.13	-71.04
C[N@H+]1CCCC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971186	1	43	0.0	-77.21	338.15	6.09	-71.12
C[NH+]1CCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005971241	0	46	0.0	-86.43	355.22	6.65	-79.78
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)N=N1	REAL300005971245	0	49	0.0	-94.83	392.19	8.05	-86.78
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCCC[N@@H+]2C2CCCC2)N=N1	REAL300005971264	0	56	0.0	-74.98	403.79	8.84	-66.14
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCCC[N@H+]2C2CCCC2)N=N1	REAL300005971264	1	56	0.0	-77.23	405.90	8.97	-68.26
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC([NH+]3CCOCC3)CC2)N=N1	REAL300005971265	0	57	0.0	-62.26	394.03	7.15	-55.11
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971301	1	47	0.0	-77.95	386.37	8.23	-69.72
O=C([O-])C1=CN(CC2CCCN2C(=O)CCCC[NH+]2CCOCC2)N=N1	REAL300005971302	1	53	0.0	-84.61	413.67	6.91	-77.70
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C=C1)C(C)C	REAL300005971305	0	58	0.0	-84.98	428.18	10.39	-74.59
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C=C1)C(C)C	REAL300005971305	1	58	0.0	-87.68	420.35	10.06	-77.62
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971308	0	43	0.0	-70.10	324.58	6.31	-63.79
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971308	1	43	0.0	-63.20	327.19	6.59	-56.61
C[NH+](C)C1(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005971317	0	43	0.0	-73.07	327.22	6.25	-66.82
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)N=N1	REAL300005971362	0	53	0.0	-67.11	409.17	10.15	-56.96
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)N=N1	REAL300005971362	1	53	0.0	-84.59	417.06	9.53	-75.06
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CC[NH+](C3CCSC3)CC2)N=N1	REAL300005971363	0	54	0.0	-80.39	410.13	9.58	-70.81
O=C([O-])C1=CN(CC2CCCN2C(=O)CC2([NH+]3CCOCC3)CCCC2)N=N1	REAL300005971386	0	57	0.0	-72.42	393.28	7.18	-65.24
CCC(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+](CC)CC	REAL300005971390	0	51	0.0	-73.31	377.62	7.46	-65.85
CC(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[N@H+](C)CC1=CC=CC=C1	REAL300005971392	0	52	0.0	-70.85	399.50	9.76	-61.09
CC(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300005971392	1	52	0.0	-74.03	393.86	9.31	-64.72
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C=N1	REAL300005971422	0	48	0.0	-90.99	376.20	7.39	-83.60
CCC[NH+](CCC)CCCC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971428	0	57	0.0	-81.35	437.41	9.54	-71.81
CC[N@H+](C)C(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1=CC=CC=C1	REAL300005971429	0	52	0.0	-64.88	396.68	9.81	-55.07
CC[N@@H+](C)C(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1=CC=CC=C1	REAL300005971429	1	52	0.0	-77.27	405.15	9.17	-68.10
CC[NH+](CC)C(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1=CC=CC=C1	REAL300005971433	0	55	0.0	-76.95	413.55	9.40	-67.55
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971442	1	47	0.0	-57.38	371.63	8.55	-48.83
C[NH+](C)C(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1=CC=C(Cl)C=C1	REAL300005971447	1	49	0.0	-79.81	400.56	9.00	-70.81
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)N=N1	REAL300005971460	0	53	0.0	-92.51	405.55	10.02	-82.49
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)N=N1	REAL300005971467	0	56	0.0	-74.19	421.47	10.73	-63.46
C[NH+](C)CC1(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005971471	0	46	0.0	-79.03	362.74	6.85	-72.18
C[NH+](C)CCCCC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971479	0	48	0.0	-75.44	371.25	7.98	-67.46
CC(C)C(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+](C)C	REAL300005971488	0	48	0.0	-79.47	360.07	7.08	-72.39
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)N=N1	REAL300005971501	0	56	0.0	-70.39	423.05	10.92	-59.47
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)N=N1	REAL300005971501	1	56	0.0	-69.87	405.85	10.08	-59.79
CC1=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C=NN1C1=CC=[NH+]C=C1	REAL300005971503	1	47	0.0	-86.77	384.05	6.73	-80.04
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)N=N1	REAL300005971511	0	56	0.0	-92.45	422.29	10.73	-81.72
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=NOC(C[NH+]3CCCC3)=C2)N=N1	REAL300005971524	1	49	0.0	-84.82	396.66	7.56	-77.26
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C=C1	REAL300005971525	0	52	0.0	-96.73	403.23	9.72	-87.01
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971536	1	45	0.0	-73.98	363.99	5.85	-68.13
O=C([O-])C1=CN(CC2CCCN2C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)N=N1	REAL300005971538	1	54	0.0	-94.60	424.60	9.02	-85.58
O=C([O-])C1=CN(CC2CCCN2C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)N=N1	REAL300005971538	1	54	0.0	-91.35	418.67	8.93	-82.42
CCC[N@H+](C)CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971547	0	45	0.0	-64.02	345.11	7.23	-56.79
CCC[N@@H+](C)CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971547	1	45	0.0	-63.48	341.29	6.97	-56.51
C[N@H+](CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1CCC1	REAL300005971569	0	46	0.0	-77.90	361.46	7.26	-70.64
C[N@@H+](CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1CCC1	REAL300005971569	1	46	0.0	-61.73	348.70	7.55	-54.18
CC(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+]1CCSCC1	REAL300005971593	1	47	0.0	-80.68	365.84	6.90	-73.78
C[N@H+](CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)CC(C)(C)C	REAL300005971597	0	51	0.0	-66.07	373.71	8.22	-57.85
C[N@@H+](CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)CC(C)(C)C	REAL300005971597	1	51	0.0	-63.93	372.13	8.12	-55.81
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971599	0	52	0.0	-64.09	401.20	9.98	-54.11
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971599	1	52	0.0	-65.04	405.19	10.24	-54.80
COCCOCC[N@H+](C)CCC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971600	0	56	0.0	-82.38	443.58	5.97	-76.41
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971600	1	56	0.0	-83.86	443.58	5.94	-77.92
CC[C@@H](C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+](C)C	REAL300005971604	0	45	0.0	-75.93	344.53	6.21	-69.72
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005971606	0	50	0.0	-59.11	366.31	5.72	-53.39
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005971606	1	50	0.0	-80.31	372.84	5.52	-74.79
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)N=N1	REAL300005971627	1	55	0.0	-82.24	415.42	8.17	-74.07
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)N=N1	REAL300005971627	1	55	0.0	-71.82	400.49	8.35	-63.47
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)N=N1	REAL300005971628	1	55	0.0	-80.70	402.83	8.45	-72.25
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)N=N1	REAL300005971628	1	55	0.0	-79.88	404.76	8.34	-71.54
CCCCCC[N@H+](C)CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971630	0	54	0.0	-65.50	409.75	9.55	-55.95
CCCCCC[N@@H+](C)CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971630	1	54	0.0	-64.57	405.78	9.30	-55.27
O=C([O-])C1=CN(CC2CCCN2C(=O)C23CCC[NH+]2CCC3)N=N1	REAL300005971640	0	47	0.0	-74.62	352.83	6.66	-67.96
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC3=C[NH+]=CN3C=C2)N=N1	REAL300005971648	1	41	0.0	-83.25	341.58	9.23	-74.02
C[N@H+](CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1CCSC1	REAL300005971661	0	47	0.0	-68.87	365.39	8.06	-60.81
C[N@@H+](CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1CCSC1	REAL300005971661	1	47	0.0	-86.38	374.74	7.49	-78.89
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005971678	0	57	0.0	-80.35	430.72	6.50	-73.85
CC(C)N1CC[NH+](CCC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005971678	1	57	0.0	-68.29	418.05	6.86	-61.43
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005971679	0	60	0.0	-73.56	437.61	7.45	-66.11
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005971679	1	60	0.0	-82.30	448.74	7.10	-75.20
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCCC3CCC[N@@H+]32)N=N1	REAL300005971680	0	50	0.0	-60.53	365.93	8.37	-52.16
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCCC3CCC[N@H+]32)N=N1	REAL300005971680	1	50	0.0	-62.47	368.27	8.31	-54.16
C[NH+](C)CCN1C=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C=N1	REAL300005971682	0	49	0.0	-87.44	394.39	6.39	-81.05
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)N=N1	REAL300005971693	0	55	0.0	-68.23	422.40	9.12	-59.11
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)N=N1	REAL300005971693	1	55	0.0	-84.80	427.11	8.47	-76.33
CC(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300005971698	0	53	0.0	-69.95	386.19	9.46	-60.49
CC(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300005971698	1	53	0.0	-80.54	407.69	9.55	-70.99
CCC(CC)C(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+]1CCOCC1	REAL300005971716	1	59	0.0	-63.66	404.74	7.87	-55.79
CCCC(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+](C)C	REAL300005971717	0	48	0.0	-77.89	364.76	6.98	-70.91
O=C([O-])C1=CN(CC2CCCN2C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)N=N1	REAL300005971718	0	56	0.0	-73.61	426.09	10.87	-62.74
O=C([O-])C1=CN(CC2CCCN2C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)N=N1	REAL300005971718	1	56	0.0	-85.77	439.37	10.44	-75.33
C[NH+](C)CCN1C=CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)=N1	REAL300005971733	0	49	0.0	-100.66	387.95	7.51	-93.15
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971734	0	49	0.0	-54.56	380.19	7.00	-47.56
C[C@@H]1[C@H](C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC[N@@H+]1C	REAL300005971737	0	46	0.0	-77.19	337.01	6.53	-70.66
C[C@@H]1[C@H](C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC[N@H+]1C	REAL300005971737	1	46	0.0	-70.29	338.37	7.16	-63.13
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971739	1	50	0.0	-67.98	387.47	8.78	-59.20
CC[C@@H]1[C@@H](C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC[N@@H+]1C	REAL300005971742	0	49	0.0	-81.60	371.25	6.90	-74.70
CC[C@@H]1[C@@H](C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC[N@H+]1C	REAL300005971742	1	49	0.0	-79.80	372.14	7.27	-72.53
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)=NN1	REAL300005971744	1	50	0.0	-86.07	389.17	7.07	-79.00
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)=NN1	REAL300005971744	1	50	0.0	-86.14	399.47	6.56	-79.58
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971745	1	45	0.0	-76.33	360.19	6.99	-69.34
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971745	1	45	0.0	-78.39	366.18	7.43	-70.96
CC1C[N@H+](C)CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)O1	REAL300005971751	1	47	0.0	-95.57	362.88	5.83	-89.74
CC1C[N@@H+](C)CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)O1	REAL300005971751	1	47	0.0	-94.05	352.65	6.10	-87.95
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)N=N1	REAL300005971758	1	52	0.0	-62.95	404.11	8.69	-54.26
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)N=N1	REAL300005971758	1	52	0.0	-64.35	398.16	8.06	-56.29
O=C([O-])C1=CN(CC2CCCN2C(=O)C[NH+]2CCCC2)N=N1	REAL300005971761	0	43	0.0	-79.66	340.89	6.42	-73.24
CC1=[NH+]C=CN1CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971763	1	41	0.0	-59.25	335.46	7.41	-51.84
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971765	1	50	0.0	-82.54	382.13	5.70	-76.84
CC1CC[NH+](CC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005971784	0	49	0.0	-68.74	365.16	8.05	-60.69
CC[N@@H+]1CCOC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005971795	1	47	0.0	-74.43	344.64	6.06	-68.37
CC[N@H+]1CCOC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005971795	1	47	0.0	-85.31	358.66	5.91	-79.40
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CC[N@@H+](C3CCCCC3)C2)N=N1	REAL300005971832	0	56	0.0	-81.16	417.76	9.08	-72.08
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CC[N@H+](C3CCCCC3)C2)N=N1	REAL300005971832	1	56	0.0	-68.32	409.59	9.59	-58.73
C[N@@H+]1CCCC1CCC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971838	0	49	0.0	-67.95	367.69	7.86	-60.09
C[N@H+]1CCCC1CCC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971838	1	49	0.0	-65.37	367.82	7.86	-57.51
O=C([O-])C1=CN(CC2CCCN2C(=O)C23CCC[NH+](CCC2)C3)N=N1	REAL300005971850	0	50	0.0	-69.95	353.45	7.47	-62.48
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971852	0	47	0.0	-83.60	343.70	3.63	-79.97
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971852	1	47	0.0	-78.13	355.15	2.64	-75.49
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC3CCCC[N@@H+]32)N=N1	REAL300005971853	0	50	0.0	-74.71	379.72	8.09	-66.62
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC3CCCC[N@H+]32)N=N1	REAL300005971853	1	50	0.0	-63.99	370.08	8.59	-55.40
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971860	0	53	0.0	-67.94	380.11	6.40	-61.54
CC[NH+](CC)CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005971876	0	45	0.0	-78.55	351.32	6.62	-71.93
CC(C)[NH+]1CCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005971878	0	52	0.0	-83.29	385.91	7.59	-75.70
O=C([O-])C1=CN(CC2CCCN2C(=O)C23CC[NH+](CC2)C3)N=N1	REAL300005971959	0	44	0.0	-75.65	330.71	6.06	-69.59
CCC(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+](C)C	REAL300005971962	0	45	0.0	-76.66	342.02	6.15	-70.51
O=C([O-])C1=CN(CC2CCCN2C(=O)C23CC[N@H+](C2)CCC3)N=N1	REAL300005971970	0	47	0.0	-86.01	347.33	6.10	-79.91
O=C([O-])C1=CN(CC2CCCN2C(=O)C23CC[N@@H+](C2)CCC3)N=N1	REAL300005971970	1	47	0.0	-81.76	347.91	6.08	-75.68
CC1CCC(C)[NH+]1CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972015	0	49	0.0	-75.93	373.08	7.20	-68.73
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)=C1	REAL300005972016	0	49	0.0	-103.03	380.38	8.85	-94.18
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)N=N1	REAL300005972017	0	56	0.0	-80.40	431.78	10.17	-70.23
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)N=N1	REAL300005972017	1	56	0.0	-66.40	422.70	10.72	-55.68
C[NH+](C)C1(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CCC1	REAL300005972055	0	46	0.0	-76.31	333.66	6.85	-69.46
C#CC[NH+]1CCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005972083	0	48	0.0	-86.83	380.41	7.84	-78.99
CCC[N@@H+]1CCCCC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972085	0	52	0.0	-63.90	367.95	7.92	-55.98
CCC[N@H+]1CCCCC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972085	1	52	0.0	-76.35	395.30	8.19	-68.16
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972086	0	49	0.0	-49.32	377.11	9.06	-40.26
CC[NH+]1CCN(CCC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005972088	0	54	0.0	-81.80	413.97	5.99	-75.81
CCN1CC[NH+](CCC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005972088	1	54	0.0	-69.99	403.98	6.46	-63.53
CC(C)[N@H+](C)CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972089	0	45	0.0	-62.38	340.29	7.01	-55.37
CC(C)[N@@H+](C)CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972089	1	45	0.0	-60.97	336.47	6.75	-54.22
CC(C)C(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+]1CCCCC1	REAL300005972090	0	55	0.0	-67.12	388.89	9.32	-57.80
C[NH+](C)C(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1=CC=CC=C1	REAL300005972091	1	49	0.0	-75.69	383.83	8.48	-67.21
O=C([O-])C1=CN(CC2CCCN2C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)N=N1	REAL300005972095	0	54	0.0	-71.04	418.13	7.29	-63.75
O=C([O-])C1=CN(CC2CCCN2C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)N=N1	REAL300005972095	1	54	0.0	-66.29	414.29	7.28	-59.01
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972100	1	50	0.0	-66.91	391.33	9.00	-57.91
C[NH+](C)CC1=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)OC2=CC=CC=C21	REAL300005972102	0	52	0.0	-49.99	402.17	9.69	-40.30
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@@H+]2C2CCCC2)N=N1	REAL300005972108	0	53	0.0	-78.80	389.54	8.71	-70.09
O=C([O-])C1=CN(CC2CCCN2C(=O)C2CCC[N@H+]2C2CCCC2)N=N1	REAL300005972108	1	53	0.0	-69.81	385.51	8.76	-61.05
CC[N@H+](CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1CC1	REAL300005972110	0	46	0.0	-62.61	354.47	7.84	-54.77
CC[N@@H+](CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)C1CC1	REAL300005972110	1	46	0.0	-63.21	352.89	7.78	-55.43
CC(C)C(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+]1CC(C)OC(C)C1	REAL300005972137	1	59	0.0	-76.69	427.64	7.08	-69.61
CC(C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+]1CCCCCC1	REAL300005972138	0	52	0.0	-62.31	374.38	8.19	-54.12
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972142	0	43	0.0	-61.59	327.14	6.65	-54.94
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972142	1	43	0.0	-78.84	334.60	5.76	-73.08
CC(C)(C)[NH2+]CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972225	0	45	0.0	-78.93	354.35	4.98	-73.95
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)O1	REAL300005972227	0	52	0.0	-86.01	412.48	8.49	-77.52
O=C([O-])C1=CN(CC2CCCN2C(=O)CCCC[NH+]2CCCC2)N=N1	REAL300005972228	0	52	0.0	-72.84	397.20	9.16	-63.68
CC1=CC=C(N2CCC(C(=O)N3CCCC3CN3C=C(C(=O)[O-])N=N3)CC2)[NH+]=C1	REAL300005972230	1	55	0.0	-79.93	424.71	8.07	-71.86
C[N@H+](CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)CC1=CC=CC=C1	REAL300005972231	1	49	0.0	-69.70	382.54	9.41	-60.29
C[N@@H+](CC(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)CC1=CC=CC=C1	REAL300005972231	1	49	0.0	-68.74	378.77	9.14	-59.60
CC(C)[C@@H](C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1)[NH+](C)C	REAL300005972242	0	48	0.0	-77.14	359.03	6.71	-70.43
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)N=N1	REAL300005972260	1	44	0.0	-81.29	360.05	6.86	-74.43
C[NH+](C)CC1=CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)=NO1	REAL300005972287	1	45	0.0	-80.54	361.48	6.98	-73.56
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972291	0	56	0.0	-84.77	427.32	10.68	-74.09
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972291	1	56	0.0	-89.47	436.98	10.16	-79.31
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972304	0	49	0.0	-75.26	374.39	7.29	-67.97
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972304	1	49	0.0	-76.10	376.52	7.25	-68.85
C[NH+]1CCC(OCC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005972327	0	50	0.0	-86.92	395.35	7.39	-79.53
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)N=N1	REAL300005972331	0	53	0.0	-87.77	418.30	8.90	-78.87
CCC[N@@H+]1CCCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005972514	0	52	0.0	-73.12	369.68	8.25	-64.87
CCC[N@H+]1CCCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005972514	1	52	0.0	-80.32	395.61	8.05	-72.27
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972545	0	52	0.0	-78.41	392.64	7.87	-70.54
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005972545	1	52	0.0	-77.76	393.54	7.86	-69.90
O=C([O-])C1=CN(CC2CCCN2C(=O)C[NH+]2CCC(CO)CC2)N=N1	REAL300005972546	0	50	0.0	-69.80	379.29	4.98	-64.82
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005972769	0	52	0.0	-68.85	380.53	8.32	-60.53
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005972769	1	52	0.0	-55.21	368.35	8.31	-46.90
C[N@@H+]1CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C(C(F)(F)F)C1	REAL300005972770	0	46	0.0	-88.88	376.28	6.91	-81.97
C[N@H+]1CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C(C(F)(F)F)C1	REAL300005972770	1	46	0.0	-85.94	374.71	6.83	-79.11
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)N1	REAL300005972796	1	47	0.0	-75.66	385.64	6.61	-69.05
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)=C1	REAL300005973275	0	52	0.0	-81.76	402.89	9.68	-72.08
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C=C1	REAL300005973282	0	53	0.0	-89.64	410.57	8.64	-81.00
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005973419	0	46	0.0	-82.40	365.19	6.97	-75.43
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)CC1	REAL300005973423	0	52	0.0	-76.60	383.33	7.69	-68.91
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3CN3C=C(C(=O)[O-])N=N3)=CN21	REAL300005973427	0	44	0.0	-77.43	362.90	8.99	-68.44
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005973488	0	55	0.0	-81.22	413.98	8.78	-72.44
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005973488	1	55	0.0	-73.65	406.67	8.99	-64.66
CC[N@@H+]1CCCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005973489	0	49	0.0	-73.66	367.93	7.48	-66.18
CC[N@H+]1CCCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005973489	1	49	0.0	-68.60	368.57	7.97	-60.63
C[N@@H+]1CCCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005973494	0	46	0.0	-74.63	336.31	6.96	-67.67
C[N@H+]1CCCC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005973494	1	46	0.0	-70.63	350.99	7.32	-63.31
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)O1	REAL300005973496	1	46	0.0	-89.23	377.81	7.12	-82.11
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005973502	0	55	0.0	-82.45	396.96	7.87	-74.58
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C1	REAL300005973502	1	55	0.0	-84.37	389.79	7.39	-76.98
O=C([O-])C1=CN(CC2CCCN2C(=O)C23CC(C2)C[N@H+]3C2CC2)N=N1	REAL300005973505	1	48	0.0	-77.84	361.70	8.42	-69.42
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005974747	0	50	0.0	-75.98	407.95	11.19	-64.79
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300005975448	0	47	0.0	-58.77	384.31	10.14	-48.63
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300005975448	1	47	0.0	-56.35	384.77	10.01	-46.34
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005976380	0	44	0.0	-66.90	360.90	8.97	-57.93
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300005976410	0	41	0.0	-55.47	344.52	8.40	-47.07
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300005976410	1	41	0.0	-57.60	330.88	7.62	-49.98
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=CC=CS3)C(=O)[O-])CN21	REAL300005976416	1	42	0.0	-60.70	354.66	8.64	-52.06
O=C([O-])C(CC1=CC=CS1)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300005976417	0	50	0.0	-65.98	409.67	11.03	-54.95
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3=CC=CS3)C(=O)[O-])CC2)=CS1	REAL300005976495	1	49	0.0	-73.39	415.54	8.89	-64.50
CC(C(=O)NC(CC1=CC=CS1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300005976496	1	45	0.0	-68.81	360.07	5.79	-63.02
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300005976582	0	53	0.0	-79.75	439.97	10.73	-69.02
CC1(C(=O)NC(CC2=CC=CS2)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300005976595	0	53	0.0	-57.37	420.47	11.60	-45.77
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005976652	0	35	0.0	-69.83	316.06	9.50	-60.33
C[NH+](C)CC1(C(=O)NC(CC2=CC=CS2)C(=O)[O-])CCCCC1	REAL300005976684	0	49	0.0	-71.82	359.50	10.03	-61.79
C[N@H+](CCC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1CCCCC1	REAL300005976689	0	49	0.0	-67.31	385.14	9.55	-57.76
C[N@@H+](CCC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1CCCCC1	REAL300005976689	1	49	0.0	-66.62	385.10	9.54	-57.08
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300005976711	1	47	0.0	-62.35	398.17	10.79	-51.56
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300005976711	1	47	0.0	-55.35	391.03	10.14	-45.21
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005976765	0	43	0.0	-80.60	375.72	8.65	-71.95
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300005976790	0	50	0.0	-56.53	375.99	9.85	-46.68
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300005976790	1	50	0.0	-57.08	379.16	9.95	-47.13
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005976791	0	51	0.0	-77.02	398.75	8.18	-68.84
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300005976822	1	41	0.0	-65.86	357.99	8.79	-57.07
O=C(CCCC[NH+]1CCOCC1)NC(CC1=CC=CS1)C(=O)[O-]	REAL300005976823	1	47	0.0	-74.30	384.16	7.59	-66.71
CC[N@H+](CC1=CC=C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])C=C1)C(C)C	REAL300005976825	0	52	0.0	-77.96	409.94	10.90	-67.06
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])C=C1)C(C)C	REAL300005976825	1	52	0.0	-76.52	404.27	10.64	-65.88
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005976853	0	47	0.0	-65.74	389.61	10.39	-55.35
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005976853	1	47	0.0	-67.89	390.25	10.36	-57.53
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005976854	0	48	0.0	-73.12	386.45	9.47	-63.65
C[NH+]1CCN(C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300005976882	1	52	0.0	-64.87	420.13	9.25	-55.62
O=C([O-])C(CC1=CC=CS1)NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300005976883	0	51	0.0	-67.24	383.23	7.86	-59.38
CCC(C(=O)NC(CC1=CC=CS1)C(=O)[O-])[NH+](CC)CC	REAL300005976887	0	45	0.0	-51.31	353.31	8.25	-43.06
CC(C(=O)NC(CC1=CC=CS1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005976889	0	46	0.0	-59.23	381.69	9.96	-49.27
CC(C(=O)NC(CC1=CC=CS1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005976889	1	46	0.0	-59.82	381.82	9.89	-49.93
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005976899	0	53	0.0	-68.16	430.63	11.94	-56.22
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005976899	1	53	0.0	-55.92	421.85	12.20	-43.72
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])C=N1	REAL300005976925	0	42	0.0	-77.27	359.83	8.01	-69.26
CCC[NH+](CCC)CCCC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300005976935	0	51	0.0	-67.16	409.61	10.10	-57.06
O=C([O-])C(CC1=CC=CS1)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300005976936	1	51	0.0	-60.31	414.63	7.90	-52.41
CC[N@H+](C)C(C(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300005976937	0	46	0.0	-60.57	373.84	9.96	-50.61
CC[N@@H+](C)C(C(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300005976937	1	46	0.0	-58.33	380.11	10.07	-48.26
CC[NH+](CC)C(C(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300005976942	0	49	0.0	-59.60	387.57	10.26	-49.34
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300005976950	1	41	0.0	-58.11	352.38	8.69	-49.42
C[NH+](C)C(C(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005976954	1	43	0.0	-55.11	377.95	10.03	-45.08
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005976967	0	47	0.0	-81.99	389.44	10.66	-71.33
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005976974	0	50	0.0	-74.38	406.44	11.29	-63.09
CCN1CCC([NH+]2CCC(C(=O)NC(CC3=CC=CS3)C(=O)[O-])CC2)CC1	REAL300005976980	0	58	0.0	-72.25	440.81	8.71	-63.54
O=C([O-])C(CC1=CC=CS1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005977000	1	51	0.0	-77.61	414.55	10.38	-67.23
O=C([O-])C(CC1=CC=CS1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005977000	1	51	0.0	-75.84	420.82	10.54	-65.30
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300005977014	0	50	0.0	-56.58	405.47	11.10	-45.48
O=C([O-])C(CC1=CC=CS1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300005977014	1	50	0.0	-55.93	395.92	10.93	-45.00
CC1=C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005977016	1	41	0.0	-79.50	362.24	7.89	-71.61
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005977024	0	50	0.0	-82.03	406.45	11.20	-70.83
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CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3=CC=CS3)C(=O)[O-])C=C2)CCO1	REAL300005978981	1	51	0.0	-84.76	412.18	9.61	-75.15
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CC[N@H+]1CCCC(C(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300005979096	1	43	0.0	-63.07	349.28	8.17	-54.90
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C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300005979108	0	49	0.0	-74.32	369.37	8.58	-65.74
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COCC(NC(=O)[C@@H]1CCCC[N@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300005981244	1	47	0.0	-56.80	355.33	7.69	-49.11
COCC(NC(=O)C1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981311	0	47	0.0	-73.93	358.19	7.81	-66.12
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COCC(NC(=O)CC[N@H+](C)C1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981371	0	56	0.0	-64.54	411.99	9.75	-54.79
COCC(NC(=O)CC[N@@H+](C)C1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981371	1	56	0.0	-63.97	411.99	9.75	-54.22
COCC(NC(=O)C1CCC[N@@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300005981384	0	44	0.0	-56.85	339.86	7.21	-49.64
COCC(NC(=O)C1CCC[N@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300005981384	1	44	0.0	-52.52	329.24	6.46	-46.06
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COCC(NC(=O)CCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981478	1	54	0.0	-74.01	411.62	7.72	-66.29
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COCC(NC(=O)[C@H]1CCC[N@@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300005981483	0	44	0.0	-55.51	340.06	7.13	-48.38
COCC(NC(=O)[C@H]1CCC[N@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300005981483	1	44	0.0	-60.07	333.54	6.62	-53.45
COCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981519	0	54	0.0	-65.12	417.13	10.52	-54.60
COCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981519	1	54	0.0	-64.33	416.52	10.50	-53.83
COCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981520	0	55	0.0	-72.87	413.15	9.76	-63.11
COCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981544	0	58	0.0	-65.35	409.07	7.79	-57.56
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COCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981550	1	53	0.0	-58.80	408.56	10.10	-48.70
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COCC(NC(=O)C1C[N@H+](C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981576	1	45	0.0	-77.21	351.02	6.23	-70.98
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C[N@H+](CC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1)CC(C)(C)C	REAL300005983851	0	51	0.0	-52.62	386.66	10.31	-42.31
C[N@@H+](CC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1)CC(C)(C)C	REAL300005983851	1	51	0.0	-51.41	388.97	10.48	-40.93
CC[C@@H](C(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300005983852	0	45	0.0	-52.95	349.27	9.09	-43.86
C[C@@H]1[C@H](C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300005983877	0	46	0.0	-55.32	351.90	8.85	-46.47
C[C@@H]1[C@H](C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300005983877	1	46	0.0	-56.81	358.54	9.11	-47.70
CC[C@@H]1[C@@H](C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300005983879	0	49	0.0	-63.12	376.01	9.76	-53.36
CC[C@@H]1[C@@H](C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300005983879	1	49	0.0	-56.93	381.03	9.91	-47.02
CC1C[N@H+](C)CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300005983882	1	47	0.0	-60.86	370.35	8.67	-52.19
CC1C[N@@H+](C)CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300005983882	1	47	0.0	-71.64	370.34	8.67	-62.97
CC(CC(=O)[O-])(NC(=O)C[NH+]1CCCC1)C1=CC=C(Br)C=C1	REAL300005983884	0	43	0.0	-52.89	344.31	9.03	-43.86
CC1=[NH+]C=CN1CC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005983886	1	41	0.0	-53.17	348.25	9.51	-43.66
CC1CC[NH+](CC(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300005983900	0	49	0.0	-52.68	381.79	10.40	-42.28
CC[N@@H+]1CCOC(C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300005983902	1	47	0.0	-41.57	366.86	8.69	-32.88
CC[N@H+]1CCOC(C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300005983902	1	47	0.0	-67.76	374.15	9.01	-58.75
C[N@@H+]1CCCC1CCC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005983911	0	49	0.0	-57.70	382.40	10.25	-47.45
C[N@H+]1CCCC1CCC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005983911	1	49	0.0	-60.70	380.93	10.09	-50.61
CC[NH+](CC)CC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005983917	0	45	0.0	-51.50	350.65	9.15	-42.35
CC(CC(=O)[O-])(NC(=O)C12CC[NH+](CC1)C2)C1=CC=C(Br)C=C1	REAL300005983936	0	44	0.0	-61.52	350.63	8.47	-53.05
CCC(C(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300005983938	0	45	0.0	-46.72	349.46	9.07	-37.65
CC(CC(=O)[O-])(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=C(Br)C=C1	REAL300005983940	0	47	0.0	-62.80	360.59	9.16	-53.64
CC(CC(=O)[O-])(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=C(Br)C=C1	REAL300005983940	1	47	0.0	-59.85	361.13	9.08	-50.77
CC1CCC(C)[NH+]1CC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005983953	0	49	0.0	-49.59	375.24	9.77	-39.82
CC(C)[N@H+](C)CC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005983965	0	45	0.0	-51.52	353.24	9.09	-42.43
CC(C)[N@@H+](C)CC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005983965	1	45	0.0	-50.20	353.24	9.09	-41.11
CC[N@H+](CC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1)C1CC1	REAL300005983970	0	46	0.0	-54.08	359.92	9.47	-44.61
CC[N@@H+](CC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1)C1CC1	REAL300005983970	1	46	0.0	-49.81	363.62	9.66	-40.15
C[N@@H+]1CCC[C@H]1C(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005983975	0	43	0.0	-50.36	344.50	8.86	-41.50
C[N@H+]1CCC[C@H]1C(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005983975	1	43	0.0	-56.92	339.06	8.61	-48.31
CC(C)(C)[NH2+]CC(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005983992	0	45	0.0	-50.64	357.99	7.80	-42.84
CC(C)[N@@H+]1CCCC1C(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005984007	0	49	0.0	-50.63	377.75	10.00	-40.63
CC(C)[N@H+]1CCCC1C(=O)NC(C)(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300005984007	1	49	0.0	-55.67	366.48	10.24	-45.43
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300005984212	0	46	0.0	-55.77	368.58	9.80	-45.97
CC[N@@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300005984220	0	49	0.0	-55.69	381.28	10.35	-45.34
CC[N@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300005984220	1	49	0.0	-56.42	381.05	10.18	-46.24
C[N@@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300005984222	0	46	0.0	-48.75	356.25	9.85	-38.90
C[N@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300005984222	1	46	0.0	-61.07	363.63	9.67	-51.40
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC(C3CC3)C2)C1	REAL300005984334	0	48	0.0	-49.17	346.16	8.19	-40.98
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC(C3CC3)C2)C1	REAL300005984334	1	48	0.0	-46.09	346.04	8.14	-37.95
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC[C@]12CCC[C@H]1CCO2	REAL300005984408	0	48	0.0	-46.60	354.52	6.70	-39.90
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC[C@]12CCC[C@H]1CCO2	REAL300005984408	1	48	0.0	-44.32	347.15	6.23	-38.09
CC1=CC2=CC=CC=C2N1CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005984521	0	53	0.0	-52.45	410.92	10.61	-41.84
CC1=CC2=CC=CC=C2N1CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005984521	1	53	0.0	-52.91	411.57	10.63	-42.28
CC(C)N1C=C([C@@H]2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C[C@H]2CO)C=N1	REAL300005984650	0	57	0.0	-50.28	432.59	6.68	-43.60
CC(C)N1C=C([C@@H]2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C[C@H]2CO)C=N1	REAL300005984650	1	57	0.0	-51.90	435.00	6.69	-45.21
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC12CCOC1CCCCC2	REAL300005984756	0	51	0.0	-46.19	350.67	7.17	-39.02
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC12CCOC1CCCCC2	REAL300005984756	1	51	0.0	-47.54	357.01	7.15	-40.39
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005986157	0	56	0.0	-83.54	411.32	11.62	-71.92
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005986913	0	53	0.0	-70.24	396.85	11.31	-58.93
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005986913	1	53	0.0	-66.17	391.20	10.84	-55.33
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005987770	1	53	0.0	-68.58	407.87	11.33	-57.25
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300005987770	1	53	0.0	-71.86	411.68	11.78	-60.08
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300005987847	0	50	0.0	-78.01	359.98	9.31	-68.70
CC1=[NH+]C=C2CCC(C(=O)N3CC(C)(C)CC3CC(=O)[O-])CN12	REAL300005987877	1	48	0.0	-67.99	356.53	10.56	-57.43
CC1(C)CC(CC(=O)[O-])N(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300005987878	0	56	0.0	-71.32	415.22	11.56	-59.76
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C)(C)CC3CC(=O)[O-])CC2)=CS1	REAL300005987952	1	55	0.0	-77.36	417.29	11.13	-66.23
CC(C(=O)N1CC(C)(C)CC1CC(=O)[O-])N1CC[NH+](C)CC1	REAL300005987953	1	51	0.0	-74.17	363.54	6.37	-67.80
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C)(C)CC2CC(=O)[O-])C=C1	REAL300005988039	0	59	0.0	-81.35	449.35	11.52	-69.83
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300005988051	0	59	0.0	-83.78	442.23	14.75	-69.03
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300005988051	1	59	0.0	-83.07	441.73	14.61	-68.46
CC1(C)CC(CC(=O)[O-])N(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005988053	0	59	0.0	-64.40	414.24	12.62	-51.78
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300005988112	0	41	0.0	-75.76	321.01	9.82	-65.94
C[NH+](C)CC1(C(=O)N2CC(C)(C)CC2CC(=O)[O-])CCCCC1	REAL300005988142	0	55	0.0	-76.36	358.46	10.48	-65.88
C[N@H+](CCC(=O)N1CC(C)(C)CC1CC(=O)[O-])C1CCCCC1	REAL300005988146	0	55	0.0	-75.55	393.81	10.38	-65.17
C[N@@H+](CCC(=O)N1CC(C)(C)CC1CC(=O)[O-])C1CCCCC1	REAL300005988146	1	55	0.0	-75.13	393.76	10.38	-64.75
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005988169	1	56	0.0	-72.29	407.45	11.48	-60.81
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005988169	1	56	0.0	-67.82	406.58	12.30	-55.52
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300005988170	1	53	0.0	-69.39	397.55	10.88	-58.51
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300005988170	1	53	0.0	-72.89	401.37	11.33	-61.56
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300005988226	0	49	0.0	-93.06	377.07	9.97	-83.09
C[NH+](C)CCN1N=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1C1=CC=CC=C1	REAL300005988231	0	59	0.0	-86.43	442.05	11.97	-74.46
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300005988255	0	56	0.0	-66.28	383.75	10.32	-55.96
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300005988255	1	56	0.0	-55.87	378.43	11.35	-44.52
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300005988256	0	57	0.0	-87.00	400.69	10.14	-76.86
CC1=[NH+]C=CN1CCCC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988288	1	47	0.0	-72.61	366.29	9.68	-62.93
CC1(C)CC(CC(=O)[O-])N(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300005988289	1	53	0.0	-79.42	393.62	8.36	-71.06
CC[N@H+](CC1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C=C1)C(C)C	REAL300005988291	0	58	0.0	-90.06	414.33	12.37	-77.69
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C=C1)C(C)C	REAL300005988291	1	58	0.0	-90.78	405.98	11.92	-78.86
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005988315	0	53	0.0	-67.59	394.28	12.29	-55.30
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005988315	1	53	0.0	-75.18	398.45	11.13	-64.05
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300005988316	0	54	0.0	-84.23	390.35	10.08	-74.15
C[NH+]1CCN(C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300005988344	1	58	0.0	-71.26	415.94	10.00	-61.26
CC1(C)CC(CC(=O)[O-])N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300005988345	0	57	0.0	-75.12	392.24	8.61	-66.51
CC(C(=O)N1CC(C)(C)CC1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005988350	0	52	0.0	-71.01	386.82	10.64	-60.37
CC(C(=O)N1CC(C)(C)CC1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005988350	1	52	0.0	-71.14	388.68	10.70	-60.44
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300005988361	0	59	0.0	-58.62	425.05	13.98	-44.64
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300005988361	1	59	0.0	-73.95	432.85	13.95	-60.00
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C=N1	REAL300005988389	0	48	0.0	-88.73	361.22	9.54	-79.19
CCC[NH+](CCC)CCCC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988400	0	57	0.0	-75.88	413.34	10.69	-65.19
CC1(C)CC(CC(=O)[O-])N(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300005988401	1	57	0.0	-68.50	421.50	8.58	-59.92
CC[N@H+](C)C(C(=O)N1CC(C)(C)CC1CC(=O)[O-])C1=CC=CC=C1	REAL300005988402	0	52	0.0	-67.80	381.06	10.69	-57.11
CC[N@@H+](C)C(C(=O)N1CC(C)(C)CC1CC(=O)[O-])C1=CC=CC=C1	REAL300005988402	1	52	0.0	-58.47	377.73	11.69	-46.78
CC[NH+](CC)C(C(=O)N1CC(C)(C)CC1CC(=O)[O-])C1=CC=CC=C1	REAL300005988407	0	55	0.0	-68.71	391.94	11.44	-57.27
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988413	1	47	0.0	-66.04	361.07	9.48	-56.56
C[NH+](C)C(C(=O)N1CC(C)(C)CC1CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005988415	1	49	0.0	-57.17	376.61	11.43	-45.74
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300005988429	0	53	0.0	-93.80	390.32	12.30	-81.50
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300005988436	0	56	0.0	-81.99	407.10	13.01	-68.98
CCN1CCC([NH+]2CCC(C(=O)N3CC(C)(C)CC3CC(=O)[O-])CC2)CC1	REAL300005988443	0	64	0.0	-80.00	444.03	10.83	-69.17
CC1C[NH+](CC2=CC=C(C(=O)N3CC(C)(C)CC3CC(=O)[O-])C=C2)CC(C)O1	REAL300005988450	1	60	0.0	-96.05	440.39	12.03	-84.02
CC1(C)CC(CC(=O)[O-])N(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005988461	1	57	0.0	-87.87	422.80	11.20	-76.67
CC1(C)CC(CC(=O)[O-])N(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005988461	1	57	0.0	-84.09	429.68	11.27	-72.82
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300005988477	0	56	0.0	-58.23	406.22	12.76	-45.47
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300005988477	1	56	0.0	-50.50	401.48	12.81	-37.69
CC1=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005988479	1	47	0.0	-86.23	360.88	9.35	-76.88
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300005988487	0	56	0.0	-94.12	407.06	13.01	-81.11
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300005988499	1	49	0.0	-79.76	376.20	9.15	-70.61
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C=C1	REAL300005988500	0	52	0.0	-97.94	388.00	12.00	-85.94
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988511	1	45	0.0	-52.98	344.98	8.71	-44.27
CC1(C)CC(CC(=O)[O-])N(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005988512	1	54	0.0	-78.18	397.59	10.33	-67.85
CC1(C)CC(CC(=O)[O-])N(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300005988512	1	54	0.0	-86.71	401.35	11.37	-75.34
CC(C(=O)N1CC(C)(C)CC1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005988526	0	62	0.0	-72.53	442.56	12.86	-59.67
CC(C(=O)N1CC(C)(C)CC1CC(=O)[O-])[NH+]1CCSCC1	REAL300005988566	1	47	0.0	-72.72	342.81	8.34	-64.38
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988573	0	52	0.0	-73.18	394.46	11.17	-62.01
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988573	1	52	0.0	-72.61	394.95	11.17	-61.44
COCCOCC[N@H+](C)CCC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988574	0	56	0.0	-74.03	423.53	7.38	-66.65
COCCOCC[N@@H+](C)CCC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988574	1	56	0.0	-76.54	423.60	7.41	-69.13
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300005988578	0	50	0.0	-66.41	356.42	6.89	-59.52
C[N@H+]1CCCC(O)(CC(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300005988578	1	50	0.0	-74.42	353.09	6.97	-67.45
CC1(C)CC(CC(=O)[O-])N(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005988588	0	61	0.0	-80.82	449.71	10.92	-69.90
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300005988589	1	55	0.0	-71.35	406.79	10.09	-61.26
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300005988589	1	55	0.0	-67.60	395.18	10.49	-57.11
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300005988590	1	55	0.0	-38.91	387.18	9.90	-29.01
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300005988590	1	55	0.0	-69.42	395.70	9.65	-59.77
CCCCCC[N@H+](C)CC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988592	0	54	0.0	-70.88	399.54	10.49	-60.39
CCCCCC[N@@H+](C)CC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988592	1	54	0.0	-71.37	399.05	10.49	-60.88
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300005988604	1	41	0.0	-82.83	320.75	9.83	-73.00
C[N@H+](CC(=O)N1CC(C)(C)CC1CC(=O)[O-])C1CCSC1	REAL300005988622	0	47	0.0	-74.40	354.82	8.98	-65.42
C[N@@H+](CC(=O)N1CC(C)(C)CC1CC(=O)[O-])C1CCSC1	REAL300005988622	1	47	0.0	-73.18	354.68	9.00	-64.18
CC(C)[NH+]1CCN(CCC(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300005988637	0	57	0.0	-75.87	410.67	7.96	-67.91
CC(C)N1CC[NH+](CCC(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300005988637	1	57	0.0	-74.85	407.25	7.77	-67.08
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300005988638	0	60	0.0	-73.17	432.20	8.74	-64.43
CC(C)N1CC[NH+](CCCC(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300005988638	1	60	0.0	-76.42	428.58	8.55	-67.87
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300005988639	0	50	0.0	-56.22	355.54	10.65	-45.57
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300005988639	1	50	0.0	-62.82	356.39	9.31	-53.51
C[NH+](C)CCN1C=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C=N1	REAL300005988641	0	49	0.0	-87.06	370.65	9.13	-77.93
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C)(C)CC3CC(=O)[O-])CC2)=C1	REAL300005988648	0	61	0.0	-79.08	449.61	10.80	-68.28
CC1(C)CC(CC(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300005988650	0	58	0.0	-78.47	428.29	10.11	-68.36
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300005988653	0	55	0.0	-76.36	406.57	9.78	-66.58
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300005988653	1	55	0.0	-71.23	401.61	9.99	-61.24
CC(C(=O)N1CC(C)(C)CC1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005988658	1	53	0.0	-69.58	390.84	11.04	-58.54
CC(C(=O)N1CC(C)(C)CC1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005988658	1	53	0.0	-69.78	390.75	11.03	-58.75
CCC(CC)C(C(=O)N1CC(C)(C)CC1CC(=O)[O-])[NH+]1CCOCC1	REAL300005988677	1	59	0.0	-63.52	392.79	9.62	-53.90
CC1(C)CC(CC(=O)[O-])N(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005988686	0	56	0.0	-79.92	418.55	11.91	-68.01
CC1(C)CC(CC(=O)[O-])N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005988686	1	56	0.0	-79.85	419.02	11.94	-67.91
C[NH+](C)CCN1C=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=N1	REAL300005988701	0	49	0.0	-91.44	377.92	8.47	-82.97
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988702	0	49	0.0	-58.10	365.19	8.76	-49.34
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988708	1	50	0.0	-68.49	381.37	9.99	-58.50
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=NN1	REAL300005988712	1	50	0.0	-82.52	378.92	8.00	-74.52
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=NN1	REAL300005988712	1	50	0.0	-82.09	379.23	7.99	-74.10
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005988724	0	56	0.0	-76.37	419.39	11.74	-64.63
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300005988724	1	56	0.0	-70.37	411.87	11.86	-58.51
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300005988725	1	52	0.0	-63.75	391.81	9.60	-54.15
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300005988725	1	52	0.0	-74.08	391.38	9.44	-64.64
CC(C[NH+]1CCOCC1)C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988729	1	50	0.0	-75.37	362.03	7.18	-68.19
CC1(C)CC(CC(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300005988730	0	57	0.0	-79.12	425.96	9.55	-69.57
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300005988785	0	56	0.0	-72.85	396.61	10.51	-62.34
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300005988785	1	56	0.0	-72.72	396.65	10.50	-62.22
CC1(C)CC(CC(=O)[O-])N(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300005988804	0	50	0.0	-74.19	338.77	9.70	-64.49
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300005988808	0	50	0.0	-67.19	354.98	9.19	-58.00
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300005988808	1	50	0.0	-65.19	361.67	9.55	-55.64
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005988816	0	53	0.0	-71.67	363.42	8.04	-63.63
CC(C)[N@@H+]1CCC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005988821	0	62	0.0	-45.42	427.12	10.49	-34.93
CC(C)[N@H+]1CCC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300005988821	1	62	0.0	-78.91	442.33	11.10	-67.81
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC(C)(C)CC2CC(=O)[O-])C=N1	REAL300005988822	0	56	0.0	-62.20	393.45	9.21	-52.99
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC(C)(C)CC2CC(=O)[O-])C=N1	REAL300005988822	1	56	0.0	-62.95	401.51	9.81	-53.14
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C)(C)CC3CC(=O)[O-])=C2)CC1	REAL300005988827	0	58	0.0	-84.82	424.21	10.58	-74.24
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C)(C)CC3CC(=O)[O-])C=C2)CC1	REAL300005988828	0	58	0.0	-91.33	424.12	10.58	-80.75
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C)(C)CC3CC(=O)[O-])C=C2)CC1	REAL300005988828	1	58	0.0	-94.86	423.59	10.45	-84.41
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C=C1	REAL300005988829	0	59	0.0	-92.92	427.10	11.61	-81.31
CC(C)[NH+]1CCC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300005988836	0	52	0.0	-78.01	368.07	10.73	-67.28
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300005988953	0	60	0.0	-96.10	438.75	10.31	-85.79
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300005988957	0	49	0.0	-81.27	365.54	11.16	-70.11
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005988958	0	56	0.0	-58.43	402.37	13.04	-45.39
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005988958	1	56	0.0	-59.04	402.06	12.93	-46.11
C#CC[NH+]1CCC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300005989025	0	48	0.0	-80.98	361.10	9.30	-71.68
CCC[N@@H+]1CCCCC1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005989027	0	52	0.0	-65.53	362.22	10.06	-55.47
CCC[N@H+]1CCCCC1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005989027	1	52	0.0	-61.03	370.19	10.56	-50.47
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005989029	0	49	0.0	-49.23	360.52	10.89	-38.34
CC[NH+]1CCN(CCC(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300005989031	0	54	0.0	-77.49	393.93	7.44	-70.05
CCN1CC[NH+](CCC(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300005989031	1	54	0.0	-74.52	394.09	7.43	-67.09
CC(C)C(C(=O)N1CC(C)(C)CC1CC(=O)[O-])[NH+]1CCCCC1	REAL300005989033	0	55	0.0	-60.60	376.95	11.06	-49.54
C[NH+](C)C(C(=O)N1CC(C)(C)CC1CC(=O)[O-])C1=CC=CC=C1	REAL300005989034	1	49	0.0	-55.44	359.89	10.91	-44.53
CC1(C)CC(CC(=O)[O-])N(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300005989038	0	54	0.0	-68.13	403.23	9.41	-58.72
CC1(C)CC(CC(=O)[O-])N(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300005989038	1	54	0.0	-67.60	401.75	9.57	-58.03
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005989044	1	50	0.0	-67.04	380.76	9.90	-57.14
C[NH+](C)CC1=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])OC2=CC=CC=C21	REAL300005989045	0	52	0.0	-58.75	398.42	10.62	-48.13
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300005989050	0	53	0.0	-62.60	378.66	11.41	-51.19
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300005989050	1	53	0.0	-68.18	380.30	10.07	-58.11
CC1(C)CC(CC(=O)[O-])N(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300005989077	1	54	0.0	-64.86	404.88	11.50	-53.36
CC(C)C(C(=O)N1CC(C)(C)CC1CC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300005989078	1	59	0.0	-68.83	413.45	10.00	-58.83
CC(C(=O)N1CC(C)(C)CC1CC(=O)[O-])[NH+]1CCCCCC1	REAL300005989079	0	52	0.0	-65.13	362.49	9.17	-55.96
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C)(C)CC3CC(=O)[O-])=CC=C1N2	REAL300005989114	1	54	0.0	-90.58	400.71	11.51	-79.07
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C)(C)CC3CC(=O)[O-])=CC=C1N2	REAL300005989114	1	54	0.0	-90.05	400.32	11.43	-78.62
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])O1	REAL300005989172	0	52	0.0	-81.89	391.24	9.98	-71.91
CC1(C)CC(CC(=O)[O-])N(C(=O)CCCC[NH+]2CCCC2)C1	REAL300005989173	0	52	0.0	-76.25	386.67	10.07	-66.18
CC1=CC=C(N2CCC(C(=O)N3CC(C)(C)CC3CC(=O)[O-])CC2)[NH+]=C1	REAL300005989175	1	55	0.0	-78.90	403.79	10.77	-68.13
C[N@H+](CC(=O)N1CC(C)(C)CC1CC(=O)[O-])CC1=CC=CC=C1	REAL300005989176	1	49	0.0	-73.95	372.47	10.32	-63.63
C[N@@H+](CC(=O)N1CC(C)(C)CC1CC(=O)[O-])CC1=CC=CC=C1	REAL300005989176	1	49	0.0	-74.57	372.03	10.33	-64.24
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C)(C)CC3CC(=O)[O-])C=C2)CC1	REAL300005989180	0	61	0.0	-97.06	433.53	11.53	-85.53
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300005989195	1	44	0.0	-84.65	344.62	8.75	-75.90
C[NH+](C)CC1=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=NO1	REAL300005989224	1	45	0.0	-80.82	352.41	7.97	-72.85
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005989229	0	56	0.0	-64.95	398.56	12.99	-51.96
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005989229	1	56	0.0	-80.08	412.41	12.80	-67.28
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C)(C)CC2CC(=O)[O-])C=C1	REAL300005989253	0	57	0.0	-85.58	437.23	11.21	-74.37
C[NH+]1CCC(OCC(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300005989270	0	50	0.0	-83.10	375.28	8.87	-74.23
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300005989276	0	53	0.0	-82.98	398.29	10.36	-72.62
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC(C)(C)CC2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005989317	0	55	0.0	-76.64	406.80	9.79	-66.85
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC(C)(C)CC2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300005989317	1	55	0.0	-68.75	404.97	9.82	-58.93
CCC[N@@H+]1CCCC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300005989462	0	52	0.0	-64.25	369.39	9.68	-54.57
CCC[N@H+]1CCCC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300005989462	1	52	0.0	-73.24	375.56	9.51	-63.73
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005989495	0	52	0.0	-68.50	366.30	8.99	-59.51
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005989495	1	52	0.0	-68.06	376.66	9.75	-58.31
CC1(C)CC(CC(=O)[O-])N(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300005989498	0	50	0.0	-70.31	368.90	5.90	-64.41
CC1(C)CC(CC(=O)[O-])N(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300005989593	0	57	0.0	-85.16	413.46	13.10	-72.06
CC1(C)CC(CC(=O)[O-])N(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300005989593	1	57	0.0	-84.96	422.12	11.94	-73.02
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300005989632	1	56	0.0	-67.57	419.50	11.89	-55.68
CC1(C)CC(CC(=O)[O-])N(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300005989632	1	56	0.0	-74.16	407.20	11.48	-62.68
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300005989720	0	52	0.0	-68.67	367.98	10.68	-57.99
CC(C)[N@H+]1CCCC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300005989720	1	52	0.0	-57.62	360.33	10.55	-47.07
C[N@@H+]1CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300005989721	0	46	0.0	-82.76	356.34	8.32	-74.44
C[N@H+]1CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300005989721	1	46	0.0	-72.20	337.45	8.68	-63.52
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C)(C)CC2CC(=O)[O-])N1	REAL300005989746	1	47	0.0	-68.68	365.56	8.06	-60.62
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300005990228	0	52	0.0	-84.55	387.83	11.82	-72.73
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C=C1	REAL300005990235	0	53	0.0	-95.88	395.97	10.71	-85.17
CC1(C)CC(CC(=O)[O-])N(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300005990325	0	59	0.0	-76.90	435.07	12.71	-64.19
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C)(C)CC3CC(=O)[O-])C=C2)CCO1	REAL300005990327	1	57	0.0	-96.90	419.44	11.28	-85.62
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C)(C)CC3CC(=O)[O-])C=C2)CCO1	REAL300005990327	1	57	0.0	-94.17	419.86	11.19	-82.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300005990370	0	52	0.0	-66.59	359.75	10.17	-56.42
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300005990436	0	55	0.0	-60.03	382.06	11.23	-48.80
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300005990436	1	55	0.0	-60.03	382.06	11.23	-48.80
CN(C)CC1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])O1	REAL300005990442	0	46	0.0	-84.58	357.79	8.59	-75.99
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])O1	REAL300005990442	1	46	0.0	-84.58	357.79	8.59	-75.99
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300005990448	0	55	0.0	-80.09	370.92	10.24	-69.85
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300005990448	1	55	0.0	-80.09	370.92	10.24	-69.85
CC1(C)CC(CC(=O)[O-])N(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300005990451	0	48	0.0	-72.77	338.29	10.93	-61.84
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CO)CCOC2)C1	REAL300005990484	0	45	0.0	-48.25	331.18	1.56	-46.69
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005991564	0	57	0.0	-68.27	424.72	12.33	-55.94
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300005992887	0	51	0.0	-60.96	377.50	10.16	-50.80
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])CN21	REAL300005992914	1	49	0.0	-57.28	371.98	9.86	-47.42
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])CC2)=CS1	REAL300005992977	1	56	0.0	-67.51	432.13	10.08	-57.43
CC(C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])N1CC[NH+](C)CC1	REAL300005992978	1	52	0.0	-62.57	380.94	7.04	-55.53
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005993050	0	60	0.0	-72.91	457.68	11.85	-61.06
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300005993107	0	42	0.0	-65.45	333.80	10.61	-54.84
C[NH+](C)CC1(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CCCCC1	REAL300005993135	0	56	0.0	-45.31	385.71	10.67	-34.64
C[N@H+](CCC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300005993139	0	56	0.0	-61.21	402.05	10.69	-50.52
C[N@@H+](CCC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300005993139	1	56	0.0	-60.29	402.05	10.69	-49.60
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300005993200	0	50	0.0	-71.31	392.24	9.69	-61.62
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300005993215	0	58	0.0	-71.55	415.34	9.38	-62.17
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993242	1	48	0.0	-60.85	374.62	10.01	-50.84
O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993243	1	54	0.0	-69.14	401.88	8.70	-60.44
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300005993244	0	59	0.0	-70.26	430.06	12.22	-58.04
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300005993244	1	59	0.0	-73.40	421.41	11.91	-61.49
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300005993263	0	54	0.0	-62.82	407.24	11.52	-51.30
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005993263	1	54	0.0	-62.51	408.63	11.61	-50.90
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300005993264	0	55	0.0	-66.34	403.56	10.73	-55.61
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993292	0	58	0.0	-61.58	400.36	8.94	-52.64
CCC(C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])[NH+](CC)CC	REAL300005993296	0	52	0.0	-49.67	368.51	9.49	-40.18
CC(C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300005993298	0	53	0.0	-58.05	398.54	11.08	-46.97
CC(C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300005993298	1	53	0.0	-52.79	398.41	11.07	-41.72
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300005993306	0	60	0.0	-66.39	446.65	13.10	-53.29
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300005993306	1	60	0.0	-55.12	441.04	13.37	-41.75
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=N1	REAL300005993320	0	49	0.0	-70.45	377.57	8.73	-61.72
CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993327	0	58	0.0	-63.65	426.17	11.31	-52.34
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993335	1	48	0.0	-53.32	372.99	9.88	-43.44
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300005993349	0	54	0.0	-75.60	406.59	11.75	-63.85
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300005993354	0	57	0.0	-70.87	423.33	12.44	-58.43
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])CC2)CC1	REAL300005993359	0	65	0.0	-67.46	453.40	9.68	-57.78
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005993378	1	58	0.0	-71.09	431.18	11.57	-59.52
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005993378	1	58	0.0	-72.16	427.56	11.11	-61.05
CC1=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300005993393	1	48	0.0	-75.36	378.75	8.94	-66.42
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300005993396	0	57	0.0	-73.97	422.71	12.41	-61.56
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300005993407	1	50	0.0	-73.82	388.11	9.28	-64.54
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005993408	0	53	0.0	-77.63	403.65	11.41	-66.22
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993414	1	46	0.0	-52.64	352.30	8.14	-44.50
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300005993415	1	55	0.0	-58.05	417.74	11.13	-46.92
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300005993415	1	55	0.0	-70.87	417.64	11.12	-59.75
CC(C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300005993424	0	63	0.0	-57.27	456.60	13.45	-43.82
CC(C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])[NH+]1CCSCC1	REAL300005993458	1	48	0.0	-56.10	358.08	8.99	-47.11
C[N@H+](CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])CC(C)(C)C	REAL300005993464	0	52	0.0	-54.22	371.46	9.51	-44.71
C[N@@H+](CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])CC(C)(C)C	REAL300005993464	1	52	0.0	-54.28	372.78	9.60	-44.68
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993466	0	53	0.0	-58.41	402.77	11.53	-46.88
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993466	1	53	0.0	-57.63	402.14	11.50	-46.13
COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993467	0	57	0.0	-62.16	431.79	7.70	-54.46
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993467	1	57	0.0	-61.20	431.81	7.72	-53.48
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005993470	0	51	0.0	-61.92	371.07	7.53	-54.39
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005993470	1	51	0.0	-62.85	361.37	7.35	-55.50
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005993480	0	62	0.0	-68.13	457.91	11.24	-56.89
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993482	0	55	0.0	-55.42	406.73	10.82	-44.60
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993482	1	55	0.0	-56.14	407.36	10.85	-45.29
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300005993496	1	42	0.0	-69.94	333.44	10.58	-59.36
C[N@H+](CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])C1CCSC1	REAL300005993511	0	48	0.0	-57.30	362.35	9.30	-48.00
C[N@@H+](CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])C1CCSC1	REAL300005993511	1	48	0.0	-59.85	362.34	9.28	-50.57
CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005993524	0	58	0.0	-63.82	418.99	8.27	-55.55
CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005993524	1	58	0.0	-60.50	415.78	8.11	-52.39
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005993525	0	61	0.0	-67.57	436.50	8.85	-58.72
CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005993525	1	61	0.0	-64.02	437.28	8.91	-55.11
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300005993526	0	51	0.0	-55.89	359.79	9.66	-46.23
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCCC2CCC[N@H+]21	REAL300005993526	1	51	0.0	-50.69	368.21	9.93	-40.76
C[NH+](C)CCN1C=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=N1	REAL300005993528	0	50	0.0	-74.36	387.31	8.54	-65.82
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])CC2)=C1	REAL300005993531	0	62	0.0	-64.52	457.83	11.09	-53.43
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300005993533	0	59	0.0	-64.47	436.40	10.44	-54.03
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300005993535	0	56	0.0	-63.84	413.35	10.73	-53.11
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300005993535	1	56	0.0	-63.38	413.39	10.73	-52.65
CC(C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300005993540	1	54	0.0	-56.33	402.09	11.47	-44.86
CC(C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300005993540	1	54	0.0	-55.12	398.67	11.67	-43.45
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O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300005993560	1	57	0.0	-67.06	428.53	12.34	-54.72
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C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993575	0	50	0.0	-55.85	382.92	8.55	-47.30
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993576	1	51	0.0	-56.90	389.58	10.31	-46.59
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC[N@@H+]1C	REAL300005993579	0	50	0.0	-66.04	360.80	8.76	-57.28
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC[N@H+]1C	REAL300005993579	1	50	0.0	-65.27	366.16	9.09	-56.18
CC1C[N@H+](C)CC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])O1	REAL300005993589	1	48	0.0	-71.67	355.47	8.27	-63.40
CC1C[N@@H+](C)CC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])O1	REAL300005993589	1	48	0.0	-68.92	355.08	8.13	-60.79
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300005993593	0	57	0.0	-64.13	424.92	12.56	-51.57
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300005993593	1	57	0.0	-60.05	424.88	12.57	-47.48
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993598	0	51	0.0	-58.98	374.70	7.94	-51.04
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300005993599	0	58	0.0	-63.39	434.16	9.84	-53.55
CC1CC[NH+](CC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005993609	0	50	0.0	-54.71	366.19	9.58	-45.13
CC[N@@H+]1CCOC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005993622	1	48	0.0	-66.58	351.66	8.05	-58.53
CC[N@H+]1CCOC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005993622	1	48	0.0	-44.56	351.67	8.04	-36.52
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005993653	1	57	0.0	-72.19	419.90	10.49	-61.70
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300005993654	0	57	0.0	-61.55	409.49	11.07	-50.48
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300005993654	1	57	0.0	-60.60	408.27	10.92	-49.68
C[N@@H+]1CCCC1CCC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993660	0	50	0.0	-65.57	371.02	9.60	-55.97
C[N@H+]1CCCC1CCC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993660	1	50	0.0	-61.96	371.77	9.46	-52.50
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300005993672	0	51	0.0	-54.81	363.82	9.53	-45.28
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC2CCCC[N@H+]21	REAL300005993672	1	51	0.0	-52.33	371.47	10.07	-42.26
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C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300005993687	0	59	0.0	-72.45	440.45	10.03	-62.42
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300005993687	1	59	0.0	-74.64	439.24	9.86	-64.78
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005993688	0	60	0.0	-72.56	442.34	11.43	-61.13
CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005993696	0	53	0.0	-61.07	378.86	9.71	-51.36
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300005993769	0	48	0.0	-63.26	345.60	8.30	-54.96
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300005993769	1	48	0.0	-66.36	345.46	8.35	-58.01
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993809	0	50	0.0	-52.25	361.65	9.16	-43.09
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])=C1	REAL300005993810	0	50	0.0	-72.94	381.74	10.59	-62.35
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300005993811	0	57	0.0	-61.98	424.77	12.28	-49.70
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300005993811	1	57	0.0	-58.03	418.47	12.50	-45.53
C#CC[NH+]1CCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005993862	0	49	0.0	-66.49	373.38	9.95	-56.54
CC[NH+]1CCN(CCC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005993864	0	55	0.0	-65.66	401.74	7.71	-57.95
CCN1CC[NH+](CCC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005993864	1	55	0.0	-60.65	402.22	7.75	-52.90
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005993871	1	51	0.0	-56.45	389.07	10.25	-46.20
CC(C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])[NH+]1CCCCCC1	REAL300005993902	0	53	0.0	-50.51	373.04	9.47	-41.04
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])=CC=C1N2	REAL300005993936	1	55	0.0	-77.84	416.79	11.00	-66.84
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])=CC=C1N2	REAL300005993936	1	55	0.0	-78.34	416.77	11.00	-67.34
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])O1	REAL300005993979	0	53	0.0	-67.79	398.85	9.97	-57.82
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CCCC[NH+]1CCCC1	REAL300005993980	0	53	0.0	-66.16	394.94	10.42	-55.74
CC1=CC=C(N2CCC(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300005993982	1	56	0.0	-64.10	417.64	10.17	-53.93
C[N@H+](CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300005993983	1	50	0.0	-56.96	379.66	10.65	-46.31
C[N@@H+](CC(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300005993983	1	50	0.0	-57.57	379.72	10.65	-46.92
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300005993987	0	62	0.0	-76.52	449.80	10.96	-65.56
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300005994003	1	45	0.0	-74.01	362.93	8.54	-65.47
C[NH+](C)CC1=CC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])=NO1	REAL300005994027	1	46	0.0	-75.00	361.70	8.08	-66.92
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005994031	0	57	0.0	-63.03	428.33	12.17	-50.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005994031	1	57	0.0	-69.53	427.98	12.19	-57.34
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005994049	0	50	0.0	-53.59	361.89	9.20	-44.39
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300005994049	1	50	0.0	-52.80	362.57	9.22	-43.58
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005994056	0	58	0.0	-75.94	445.49	11.54	-64.40
C[NH+]1CCC(OCC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005994071	0	51	0.0	-71.02	382.96	9.15	-61.87
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300005994076	0	54	0.0	-68.19	408.08	10.66	-57.53
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005994224	0	53	0.0	-59.88	387.36	10.11	-49.77
CCC[N@H+]1CCCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005994224	1	53	0.0	-61.66	386.76	10.07	-51.59
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300005994252	1	51	0.0	-55.56	377.02	6.27	-49.29
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005994436	0	53	0.0	-58.77	382.49	9.89	-48.88
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005994436	1	53	0.0	-60.19	382.53	9.88	-50.31
C[N@@H+]1CC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300005994437	0	47	0.0	-75.61	353.79	9.15	-66.46
C[N@H+]1CC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300005994437	1	47	0.0	-72.30	360.44	8.79	-63.51
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])N1	REAL300005994459	1	48	0.0	-56.33	373.85	8.38	-47.95
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])=C1	REAL300005994856	0	53	0.0	-75.48	404.28	11.42	-64.06
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005994864	0	54	0.0	-74.56	410.95	10.35	-64.21
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300005994957	0	60	0.0	-68.21	443.00	12.98	-55.23
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])C=C2)CCO1	REAL300005994959	1	58	0.0	-75.87	429.16	10.77	-65.10
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])C=C2)CCO1	REAL300005994959	1	58	0.0	-76.19	435.86	10.80	-65.39
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC1	REAL300005994989	0	53	0.0	-68.57	375.93	9.80	-58.77
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])=CN21	REAL300005994993	0	45	0.0	-61.09	355.20	10.39	-50.70
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005995043	0	56	0.0	-59.30	404.83	10.81	-48.49
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005995043	1	56	0.0	-56.08	397.91	10.97	-45.11
CC[N@@H+]1CCCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005995044	0	50	0.0	-59.53	365.87	9.37	-50.16
CC[N@H+]1CCCC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C1	REAL300005995044	1	50	0.0	-61.90	365.86	9.37	-52.53
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])O1	REAL300005995050	1	47	0.0	-69.33	367.56	8.88	-60.45
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300005995058	0	49	0.0	-57.80	358.76	9.25	-48.55
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300005995058	1	49	0.0	-50.36	354.88	9.95	-40.41
CC(CC(=O)[O-])(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CN=C1	REAL300005996058	0	55	0.0	-71.24	413.55	10.66	-60.58
CC(CC(=O)[O-])(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CN=C1	REAL300005997341	0	49	0.0	-62.31	362.17	8.49	-53.82
CC1=[NH+]C=C2CCC(C(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)CN21	REAL300005997367	1	47	0.0	-59.81	360.10	8.17	-51.64
CC(C(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)N1CC[NH+](C)CC1	REAL300005997434	1	50	0.0	-66.20	365.98	5.45	-60.75
C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300005997468	0	45	0.0	-51.19	334.42	7.03	-44.16
C[N@H+]1CCCC[C@H]1C(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300005997468	1	45	0.0	-55.08	325.10	6.87	-48.21
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300005997508	0	58	0.0	-74.39	446.81	10.36	-64.03
C[NH+]1CCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)CC1	REAL300005997541	0	45	0.0	-71.28	337.05	7.09	-64.19
CC(CC(=O)[O-])(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CN=C1	REAL300005997566	0	40	0.0	-67.16	322.62	8.95	-58.21
C[NH+](C)CC1(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)CCCCC1	REAL300005997595	0	54	0.0	-74.28	364.36	9.58	-64.70
C[N@H+](CCC(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)C1CCCCC1	REAL300005997599	0	54	0.0	-62.46	391.15	9.21	-53.25
C[N@@H+](CCC(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)C1CCCCC1	REAL300005997599	1	54	0.0	-61.37	391.16	9.22	-52.15
C[NH+]1CCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)CC1	REAL300005997656	0	45	0.0	-71.28	337.05	7.09	-64.19
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CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)O1	REAL300005998473	0	51	0.0	-73.68	388.29	8.33	-65.35
CC(CC(=O)[O-])(NC(=O)CCCC[NH+]1CCCC1)C1=CC=CN=C1	REAL300005998474	0	51	0.0	-67.02	384.10	8.93	-58.09
CC1=CC=C(N2CCC(C(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)CC2)[NH+]=C1	REAL300005998476	1	54	0.0	-67.04	406.78	8.69	-58.35
C[N@H+](CC(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)CC1=CC=CC=C1	REAL300005998477	1	48	0.0	-58.81	369.44	9.21	-49.60
C[N@@H+](CC(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)CC1=CC=CC=C1	REAL300005998477	1	48	0.0	-59.36	369.46	9.21	-50.15
CC(CC(=O)[O-])(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC=CN=C1	REAL300005998502	1	43	0.0	-75.35	351.76	6.90	-68.45
C[NH+](C)CC1=CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=NO1	REAL300005998525	1	44	0.0	-74.75	350.83	6.59	-68.16
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300005998529	0	55	0.0	-64.13	417.99	10.53	-53.60
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300005998529	1	55	0.0	-66.01	414.62	10.50	-55.51
CC(C)[N@@H+]1CCCC1C(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300005998544	0	48	0.0	-55.34	351.47	7.55	-47.79
CC(C)[N@H+]1CCCC1C(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300005998544	1	48	0.0	-58.95	340.94	7.63	-51.32
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300005998552	0	56	0.0	-77.70	435.22	10.08	-67.62
C[NH+]1CCC(OCC(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)CC1	REAL300005998565	0	49	0.0	-72.50	372.72	7.57	-64.93
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=CC=CN=C1	REAL300005998570	0	52	0.0	-73.39	397.54	9.02	-64.37
CCC[N@@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005998724	0	51	0.0	-60.52	376.47	8.63	-51.89
CCC[N@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005998724	1	51	0.0	-56.77	370.25	8.84	-47.93
CC(CC(=O)[O-])(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=CN=C1	REAL300005998751	1	49	0.0	-58.12	366.26	4.63	-53.49
CC(C)[N@@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005998939	0	51	0.0	-59.56	371.64	8.41	-51.15
CC(C)[N@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005998939	1	51	0.0	-61.61	371.63	8.40	-53.21
C[N@@H+]1CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C(F)(F)F)C1	REAL300005998940	0	45	0.0	-74.75	337.77	6.87	-67.88
C[N@H+]1CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C(F)(F)F)C1	REAL300005998940	1	45	0.0	-67.73	344.03	7.71	-60.02
CC1=C(C)[NH+]=C(CCC(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)N1	REAL300005998963	1	46	0.0	-57.22	362.98	6.90	-50.32
C[NH+](C)CCC1=CC=CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300005999366	0	51	0.0	-73.13	393.37	9.94	-63.19
C[NH+](C)CCOC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300005999374	0	52	0.0	-76.68	400.66	8.90	-67.78
CC(CC(=O)[O-])(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CN=C1	REAL300005999465	0	58	0.0	-62.74	432.48	11.55	-51.19
CC1C[N@H+](CC2=CC=C(C(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)C=C2)CCO1	REAL300005999467	1	56	0.0	-79.34	417.98	9.10	-70.24
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)C=C2)CCO1	REAL300005999467	1	56	0.0	-79.45	418.03	9.10	-70.35
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005999495	0	45	0.0	-60.17	342.28	7.34	-52.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)CC1	REAL300005999499	0	51	0.0	-68.99	364.78	8.11	-60.88
CC1=[NH+]C=C2C=CC(C(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)=CN21	REAL300005999503	0	43	0.0	-63.25	344.05	8.73	-54.52
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005999556	0	54	0.0	-62.97	393.66	9.15	-53.82
CC(C)C[N@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005999556	1	54	0.0	-55.34	387.34	9.35	-45.99
CC[N@@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005999557	0	48	0.0	-60.18	354.97	7.90	-52.28
CC[N@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005999557	1	48	0.0	-61.07	354.72	7.72	-53.35
C[N@@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005999561	0	45	0.0	-58.39	330.83	7.26	-51.13
C[N@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C1	REAL300005999561	1	45	0.0	-65.73	337.35	7.24	-58.49
C[NH+](C)CC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)O1	REAL300005999563	1	45	0.0	-75.63	355.94	7.15	-68.48
CC(CC(=O)[O-])(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=CN=C1	REAL300005999571	0	47	0.0	-48.34	345.70	7.77	-40.57
CC(CC(=O)[O-])(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=CN=C1	REAL300005999571	1	47	0.0	-51.04	345.20	8.17	-42.87
CC(C)C(C)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006000580	0	52	0.0	-74.83	378.39	10.38	-64.45
CC1=NC(C[NH+]2CCC(C(=O)NC(C)(C(=O)[O-])C(C)C)CC2)=CS1	REAL300006001812	1	51	0.0	-74.27	384.03	8.07	-66.20
CC(C)C(C)(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006001856	0	55	0.0	-79.82	411.37	9.90	-69.92
CC(C)C(C)(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006001861	0	55	0.0	-77.71	412.16	12.24	-65.47
CC(C)C(C)(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006001861	1	55	0.0	-76.23	410.35	12.18	-64.05
CC(C)C(C)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300006001970	0	45	0.0	-78.40	344.64	7.72	-70.68
CC(C)C(C)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300006001988	0	53	0.0	-50.59	359.11	7.05	-43.54
CC(C)C(C)(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300006002007	1	49	0.0	-73.06	353.76	6.67	-66.39
CC[N@H+](CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C(C)C)C=C1)C(C)C	REAL300006002008	0	54	0.0	-78.63	382.17	10.20	-68.43
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C(C)C)C=C1)C(C)C	REAL300006002008	1	54	0.0	-79.27	374.79	9.83	-69.44
CC(C)C(C)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006002023	0	49	0.0	-64.12	360.46	9.53	-54.59
CC(C)C(C)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006002023	1	49	0.0	-65.27	360.49	9.55	-55.72
CC(C)C(C)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300006002024	0	50	0.0	-72.48	355.32	8.72	-63.76
CC(C)C(C)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300006002045	0	53	0.0	-65.19	352.22	6.72	-58.47
CC(C)C(C)(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006002048	0	48	0.0	-55.90	349.46	9.03	-46.87
CC(C)C(C)(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006002048	1	48	0.0	-60.57	350.27	9.03	-51.54
CC(C)C(C)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006002055	0	55	0.0	-58.75	392.89	11.26	-47.49
CC(C)C(C)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006002055	1	55	0.0	-69.68	400.94	11.20	-58.48
CCC[NH+](CCC)CCCC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300006002075	0	53	0.0	-66.81	373.58	9.00	-57.81
CC(C)C(C)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300006002090	0	49	0.0	-82.90	357.57	9.66	-73.24
CC(C)C(C)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300006002095	0	52	0.0	-72.58	377.01	10.50	-62.08
CCN1CCC([NH+]2CCC(C(=O)NC(C)(C(=O)[O-])C(C)C)CC2)CC1	REAL300006002101	0	60	0.0	-72.20	408.23	7.86	-64.34
CC(C)C(C)(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300006002107	1	56	0.0	-84.75	408.47	9.47	-75.28
CC(C)C(C)(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006002117	1	53	0.0	-78.21	384.86	9.35	-68.86
CC(C)C(C)(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006002117	1	53	0.0	-74.00	389.83	9.34	-64.66
CC1=C(C(=O)NC(C)(C(=O)[O-])C(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300006002131	1	43	0.0	-78.95	331.47	6.96	-71.99
CC(C)C(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300006002134	0	52	0.0	-83.74	376.70	10.46	-73.28
CC(C)C(C)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300006002144	1	45	0.0	-76.77	340.71	7.27	-69.50
CC(C)C(C)(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006002145	0	48	0.0	-87.50	357.94	9.49	-78.01
CC(C)C(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006002148	1	50	0.0	-73.92	362.46	8.52	-65.40
CC(C)C(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006002148	1	50	0.0	-56.32	362.19	8.60	-47.72
CC(C)C(C)(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006002156	0	58	0.0	-54.82	410.16	11.40	-43.42
CC(C)C(C)(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006002181	0	48	0.0	-59.06	354.63	9.44	-49.62
CC(C)C(C)(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006002181	1	48	0.0	-59.07	354.63	9.44	-49.63
COCCOCC[N@H+](C)CCC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300006002182	0	52	0.0	-63.95	385.44	5.76	-58.19
COCCOCC[N@@H+](C)CCC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300006002182	1	52	0.0	-65.07	385.49	5.77	-59.30
CC(C)C(C)(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006002188	0	57	0.0	-71.24	409.80	9.22	-62.02
CC(C)[NH+]1CCN(CCC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300006002214	0	53	0.0	-69.60	372.66	6.32	-63.28
CC(C)N1CC[NH+](CCC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300006002214	1	53	0.0	-63.83	367.16	6.05	-57.78
CC(C)[NH+]1CCN(CCCC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300006002215	0	56	0.0	-69.29	394.16	7.12	-62.17
CC(C)N1CC[NH+](CCCC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300006002215	1	56	0.0	-67.78	388.66	6.84	-60.94
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C)(C(=O)[O-])C(C)C)CC2)=C1	REAL300006002219	0	57	0.0	-67.39	409.70	9.08	-58.31
CC(C)C(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006002220	0	54	0.0	-67.40	390.11	8.48	-58.92
CC(C)C(C)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006002223	0	51	0.0	-61.56	364.27	8.60	-52.96
CC(C)C(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006002223	1	51	0.0	-64.79	371.48	8.41	-56.38
CC(C)C(C)(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300006002227	1	49	0.0	-54.74	350.94	9.50	-45.24
CC(C)C(C)(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300006002227	1	49	0.0	-57.93	352.33	9.62	-48.31
CC(C)C(C)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006002244	0	52	0.0	-72.18	380.53	10.26	-61.92
CC(C)C(C)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006002244	1	52	0.0	-71.38	380.90	10.26	-61.12
CC(C)C(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006002261	0	52	0.0	-61.35	375.75	10.43	-50.92
CC(C)C(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006002261	1	52	0.0	-64.53	383.01	10.33	-54.20
CC(C)C(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300006002263	0	53	0.0	-67.43	386.02	7.83	-59.60
CC(C)C(C)(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300006002285	1	52	0.0	-79.92	374.85	8.58	-71.34
CC(C)C(C)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006002286	0	52	0.0	-64.98	363.30	9.07	-55.91
CC(C)C(C)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006002286	1	52	0.0	-64.01	362.83	9.05	-54.96
CC(C)C(C)(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300006002304	0	54	0.0	-71.67	394.13	8.07	-63.60
CC(C)C(C)(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300006002305	0	54	0.0	-84.35	393.19	7.89	-76.46
CC(C)C(C)(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300006002305	1	54	0.0	-84.52	393.53	7.95	-76.57
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300006002306	0	55	0.0	-80.62	400.44	9.78	-70.84
CC(C)C(C)(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300006002359	0	56	0.0	-85.03	408.68	7.81	-77.22
CC(C)C(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006002361	0	52	0.0	-59.16	372.18	10.45	-48.71
CC(C)C(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006002361	1	52	0.0	-58.95	370.34	10.39	-48.56
CC(C)C(C)(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006002441	1	50	0.0	-81.54	368.43	9.03	-72.51
CC(C)C(C)(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006002441	1	50	0.0	-81.73	368.64	8.99	-72.74
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C(C)C)O1	REAL300006002479	0	48	0.0	-76.99	355.84	8.29	-68.70
CC1=CC=C(N2CCC(C(=O)NC(C)(C(=O)[O-])C(C)C)CC2)[NH+]=C1	REAL300006002481	1	51	0.0	-70.56	369.54	8.15	-62.41
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C)(C(=O)[O-])C(C)C)C=C2)CC1	REAL300006002484	0	57	0.0	-84.48	401.65	8.95	-75.53
CC(C)C(C)(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006002491	1	40	0.0	-77.79	316.61	6.63	-71.16
CC(C)C(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006002515	0	52	0.0	-75.44	379.13	10.06	-65.38
CC(C)C(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006002515	1	52	0.0	-64.88	370.98	9.91	-54.97
CC(C)C(C)(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006002530	0	53	0.0	-84.47	399.77	9.63	-74.84
CC(C)C(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300006002542	0	49	0.0	-76.79	360.55	8.70	-68.09
CC(C)C(C)(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006002786	0	42	0.0	-72.73	306.67	6.38	-66.35
CC(C)C(C)(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006002786	1	42	0.0	-79.45	319.78	6.78	-72.67
CC(C)C(C)(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300006003073	0	48	0.0	-76.93	357.95	9.48	-67.45
CC(C)C(C)(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006003076	0	49	0.0	-84.26	363.42	8.38	-75.88
CC(C)C(C)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006003136	0	55	0.0	-67.68	397.01	11.00	-56.68
CC(C)C(C)(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006003138	1	53	0.0	-85.30	381.00	8.76	-76.54
CC(C)C(C)(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006003138	1	53	0.0	-85.43	381.04	8.76	-76.67
CC12CC3(C)CC(NC(=O)C4CC[NH+](C5CC5)CC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004435	0	61	0.0	-84.37	417.48	10.50	-73.87
CC1=[NH+]C=C2CCC(C(=O)NC34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)CN21	REAL300006004457	1	59	0.0	-74.52	417.15	10.45	-64.07
C[NH+](C)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004502	0	50	0.0	-76.57	350.10	7.72	-68.85
CC(C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)N1CC[NH+](C)CC1	REAL300006004503	1	62	0.0	-78.37	423.35	7.56	-70.81
C[N@@H+]1CCCC[C@H]1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004528	0	57	0.0	-76.20	392.06	9.32	-66.88
C[N@H+]1CCCC[C@H]1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004528	1	57	0.0	-72.41	382.75	9.14	-63.27
C[NH+]1CCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300006004565	0	57	0.0	-83.57	394.69	9.39	-74.18
CC12CC3(C)CC(NC(=O)C4=CN5C=[NH+]C=C5C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004592	0	52	0.0	-80.90	380.25	11.23	-69.67
C[NH+](C)CC1(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CCCCC1	REAL300006004612	0	66	0.0	-69.15	438.21	11.09	-58.06
C[N@H+](CCC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)C1CCCCC1	REAL300006004615	0	66	0.0	-80.18	448.51	11.32	-68.86
C[N@@H+](CCC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)C1CCCCC1	REAL300006004615	1	66	0.0	-80.86	448.51	11.32	-69.54
C[N@@H+]1CCCC1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004626	0	54	0.0	-73.58	375.19	8.69	-64.89
C[N@H+]1CCCC1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004626	1	54	0.0	-80.86	369.51	8.25	-72.61
C[NH+]1CCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300006004665	0	57	0.0	-83.57	394.69	9.39	-74.18
CC1=[NH+]C=CN1CCCC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004697	1	58	0.0	-78.20	421.07	10.63	-67.57
CC12CC3(C)CC(NC(=O)CCCC[NH+]4CCOCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004698	1	64	0.0	-84.37	448.36	9.31	-75.06
C[C@@H](C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)[NH+](C)C	REAL300006004702	0	53	0.0	-77.84	368.21	8.13	-69.71
C[N@@H+]1CCC[C@@H]1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004703	0	54	0.0	-71.53	370.07	8.28	-63.25
C[N@H+]1CCC[C@@H]1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004703	1	54	0.0	-72.80	376.37	8.79	-64.01
C[C@H](C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)[NH+](C)C	REAL300006004706	0	53	0.0	-73.29	368.23	8.15	-65.14
CCC(C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)[NH+](CC)CC	REAL300006004759	0	62	0.0	-70.67	416.23	10.02	-60.65
CC(C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)[N@H+](C)CC1=CC=CC=C1	REAL300006004761	0	63	0.0	-75.71	445.01	11.72	-63.99
CC(C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)[N@@H+](C)CC1=CC=CC=C1	REAL300006004761	1	63	0.0	-80.14	445.06	11.69	-68.45
C[NH+](C)CC1=CC=C(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300006004774	0	59	0.0	-89.84	424.05	9.73	-80.11
CCC[NH+](CCC)CCCC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004776	0	68	0.0	-79.55	468.17	11.65	-67.90
CC(C)C1=[NH+]C=CN1CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004785	1	58	0.0	-72.44	419.48	10.50	-61.94
C[NH+](C)CC1(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300006004794	0	57	0.0	-92.32	398.71	9.66	-82.66
C[NH+](C)CCCCC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004798	0	59	0.0	-83.26	415.46	9.86	-73.40
C[NH+](C)CCC1=CC=C(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300006004817	0	63	0.0	-95.61	450.72	12.06	-83.55
CNC1=[NH+]C(C)=CC=C1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004821	1	56	0.0	-72.22	399.38	8.80	-63.42
CCC[N@H+](C)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004825	0	56	0.0	-75.83	389.32	9.13	-66.70
CCC[N@@H+](C)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004825	1	56	0.0	-75.85	389.32	9.13	-66.72
C[N@H+](CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)C1CCC1	REAL300006004837	0	57	0.0	-72.97	396.19	9.71	-63.26
C[N@@H+](CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)C1CCC1	REAL300006004837	1	57	0.0	-74.79	396.33	9.72	-65.07
CC(C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)[NH+]1CCSCC1	REAL300006004851	1	58	0.0	-75.63	405.49	9.56	-66.07
C[N@H+](CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)CC(C)(C)C	REAL300006004853	0	62	0.0	-75.81	419.72	10.23	-65.58
C[N@@H+](CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)CC(C)(C)C	REAL300006004853	1	62	0.0	-75.15	420.23	10.30	-64.85
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004855	0	63	0.0	-78.77	449.23	12.15	-66.62
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004855	1	63	0.0	-79.03	449.23	12.15	-66.88
CC[C@@H](C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)[NH+](C)C	REAL300006004857	0	56	0.0	-70.64	380.28	8.76	-61.88
C[N@@H+]1CCCC(O)(CC(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006004859	0	61	0.0	-76.09	410.74	7.73	-68.36
C[N@H+]1CCCC(O)(CC(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006004859	1	61	0.0	-67.33	419.84	7.92	-59.41
CCCCCC[N@H+](C)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004870	0	65	0.0	-77.23	453.82	11.47	-65.76
CCCCCC[N@@H+](C)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004870	1	65	0.0	-76.97	453.82	11.48	-65.49
CC12CC3(C)CC(NC(=O)C4=CC5=C[NH+]=CN5C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004882	1	52	0.0	-87.97	380.52	11.25	-76.72
C[N@H+](CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)C1CCSC1	REAL300006004889	0	58	0.0	-79.28	409.58	9.95	-69.33
C[N@@H+](CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)C1CCSC1	REAL300006004889	1	58	0.0	-78.35	409.37	9.96	-68.39
CC12CC3(C)CC(NC(=O)C4CCCC5CCC[N@@H+]54)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004903	0	61	0.0	-73.41	406.10	10.27	-63.14
CC12CC3(C)CC(NC(=O)C4CCCC5CCC[N@H+]54)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004903	1	61	0.0	-75.42	406.24	10.28	-65.14
C[NH+](C)CCN1C=C(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300006004904	0	60	0.0	-88.09	434.39	9.24	-78.85
C[NH+](C)CCN1C=CC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300006004930	0	60	0.0	-96.31	434.77	9.24	-87.07
C[NH+](C)CCN1N=CC=C1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004931	0	60	0.0	-69.97	429.82	9.20	-60.77
C[C@@H]1[C@H](C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC[N@@H+]1C	REAL300006004933	0	57	0.0	-81.60	386.21	8.69	-72.91
C[C@@H]1[C@H](C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC[N@H+]1C	REAL300006004933	1	57	0.0	-76.79	392.33	9.17	-67.62
CCC1=[NH+]C=CN1C(C)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004934	1	61	0.0	-73.72	436.06	10.93	-62.79
CC[C@@H]1[C@@H](C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC[N@@H+]1C	REAL300006004937	0	60	0.0	-83.88	406.22	9.43	-74.45
CC[C@@H]1[C@@H](C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC[N@H+]1C	REAL300006004937	1	60	0.0	-74.56	410.96	9.97	-64.59
CC1C[N@H+](C)CC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300006004942	1	58	0.0	-72.33	400.99	8.59	-63.74
CC1C[N@@H+](C)CC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300006004942	1	58	0.0	-98.37	400.83	8.33	-90.04
CC12CC3(C)CC(NC(=O)C[NH+]4CCCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004947	0	54	0.0	-74.73	374.86	8.80	-65.93
CC1=[NH+]C=CN1CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004949	1	52	0.0	-72.04	379.49	9.33	-62.71
CC(C[NH+]1CCOCC1)C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006004951	1	61	0.0	-80.30	421.40	8.46	-71.84
CC1CC[NH+](CC(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300006004970	0	60	0.0	-76.82	412.67	10.21	-66.61
CC[N@@H+]1CCOC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006004981	1	58	0.0	-94.57	405.27	8.69	-85.88
CC[N@H+]1CCOC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006004981	1	58	0.0	-94.68	404.67	8.66	-86.02
C[N@@H+]1CCCC1CCC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005009	0	60	0.0	-81.19	417.48	10.22	-70.97
C[N@H+]1CCCC1CCC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005009	1	60	0.0	-78.94	412.02	9.75	-69.19
CC12CC3(C)CC(NC(=O)C4CCC5CCCC[N@@H+]54)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005017	0	61	0.0	-71.80	410.91	10.20	-61.60
CC12CC3(C)CC(NC(=O)C4CCC5CCCC[N@H+]54)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005017	1	61	0.0	-72.43	417.83	10.66	-61.77
CC[NH+](CC)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005032	0	56	0.0	-74.07	381.68	8.80	-65.27
CC(C)[NH+]1CCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300006005034	0	63	0.0	-81.19	429.00	10.58	-70.61
CC12CC3(C)CC(NC(=O)C45CC[NH+](CC4)C5)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005091	0	55	0.0	-82.70	381.02	8.18	-74.52
CCC(C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)[NH+](C)C	REAL300006005094	0	56	0.0	-71.14	380.81	8.67	-62.47
CC12CC3(C)CC(NC(=O)C45CC[N@H+](C4)CCC5)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005100	0	58	0.0	-91.55	391.66	8.96	-82.59
CC12CC3(C)CC(NC(=O)C45CC[N@@H+](C4)CCC5)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005100	1	58	0.0	-82.29	391.10	8.92	-73.37
CC1CCC(C)[NH+]1CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005128	0	60	0.0	-73.09	407.26	9.75	-63.34
C[NH+](C)CC1=CC=CC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300006005129	0	60	0.0	-84.59	428.28	11.22	-73.37
C#CC[NH+]1CCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300006005164	0	59	0.0	-86.22	419.86	10.59	-75.63
CC[NH+]1CCN(CCC(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300006005166	0	65	0.0	-82.06	448.20	8.35	-73.71
CCN1CC[NH+](CCC(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300006005166	1	65	0.0	-79.35	448.70	8.38	-70.97
CC(C)[N@H+](C)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005167	0	56	0.0	-73.45	384.51	8.92	-64.53
CC(C)[N@@H+](C)CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005167	1	56	0.0	-72.94	384.52	8.93	-64.01
CC(C)C1=[NH+]C=CN1CCC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005171	1	61	0.0	-73.48	439.75	11.01	-62.47
CC[N@H+](CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)C1CC1	REAL300006005176	0	57	0.0	-72.81	398.69	9.75	-63.06
CC[N@@H+](CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)C1CC1	REAL300006005176	1	57	0.0	-72.03	394.88	9.48	-62.55
CC(C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)[NH+]1CCCCCC1	REAL300006005191	0	63	0.0	-71.05	420.14	10.13	-60.92
C[N@@H+]1CCC[C@H]1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005194	0	54	0.0	-74.94	374.64	8.77	-66.17
C[N@H+]1CCC[C@H]1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005194	1	54	0.0	-71.41	370.11	8.28	-63.13
CC(C)(C)[NH2+]CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005239	0	56	0.0	-75.08	389.04	7.45	-67.63
CC12CC3(C)CC(NC(=O)CCCC[NH+]4CCCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005240	0	63	0.0	-81.55	441.42	11.04	-70.51
C[N@H+](CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)CC1=CC=CC=C1	REAL300006005242	1	60	0.0	-80.25	426.75	11.32	-68.93
C[N@@H+](CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)CC1=CC=CC=C1	REAL300006005242	1	60	0.0	-80.27	426.74	11.32	-68.95
CC12CC3(C)CC(NC(=O)C4=CN(C5=CC=[NH+]C=C5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005262	1	55	0.0	-87.43	409.38	9.18	-78.25
C[NH+](C)CC1=CC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=NO1	REAL300006005273	1	56	0.0	-88.16	409.19	8.76	-79.40
CC(C)[N@@H+]1CCCC1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005283	0	60	0.0	-72.61	408.60	9.81	-62.80
CC(C)[N@H+]1CCCC1C(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300006005283	1	60	0.0	-72.95	408.31	9.82	-63.13
C[NH+]1CCC(OCC(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300006005297	0	61	0.0	-88.53	430.01	9.67	-78.86
CCC[N@@H+]1CCCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005394	0	63	0.0	-78.76	433.23	10.72	-68.04
CCC[N@H+]1CCCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005394	1	63	0.0	-67.73	427.00	10.93	-56.80
CC12CC3(C)CC(NC(=O)C[NH+]4CCC(CO)CC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005410	1	61	0.0	-80.47	423.88	6.91	-73.56
CC(C)[N@@H+]1CCCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005534	0	63	0.0	-72.02	422.14	10.70	-61.32
CC(C)[N@H+]1CCCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005534	1	63	0.0	-67.03	422.15	10.69	-56.34
CC1=C(C)[NH+]=C(CCC(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N1	REAL300006005551	1	58	0.0	-74.05	420.34	9.01	-65.04
C[NH+](C)CCC1=CC=CC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300006005817	0	63	0.0	-83.85	450.73	12.06	-71.79
C[NH+](C)[C@H]1C[C@H](C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005905	0	57	0.0	-76.14	399.68	9.43	-66.71
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300006005909	0	63	0.0	-82.64	422.38	10.43	-72.21
CC1=[NH+]C=C2C=CC(C(=O)NC34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CN21	REAL300006005912	0	55	0.0	-77.68	401.67	11.00	-66.68
CC(C)C[N@@H+]1CCCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005947	0	66	0.0	-79.14	450.87	11.42	-67.72
CC(C)C[N@H+]1CCCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005947	1	66	0.0	-72.71	445.01	11.64	-61.07
CC[N@@H+]1CCCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005948	0	60	0.0	-77.06	412.33	10.00	-67.06
CC[N@H+]1CCCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005948	1	60	0.0	-76.86	411.75	9.98	-66.88
C[N@@H+]1CCCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005953	0	57	0.0	-71.96	388.42	9.55	-62.41
C[N@H+]1CCCC(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300006005953	1	57	0.0	-78.58	394.67	9.35	-69.23
C[NH+](C)CC1=CC=C(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300006005955	1	57	0.0	-89.85	414.61	9.53	-80.32
CC12CC3(C)CC(NC(=O)C45CC(C4)C[N@@H+]5C4CC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005963	0	59	0.0	-79.74	401.12	10.50	-69.24
CC12CC3(C)CC(NC(=O)C45CC(C4)C[N@H+]5C4CC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005963	1	59	0.0	-76.72	403.30	10.98	-65.74
O=C([O-])CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC(F)=C1	REAL300006006928	0	53	0.0	-68.98	421.43	12.28	-56.70
O=C([O-])CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CC(F)=C1	REAL300006008179	0	47	0.0	-77.13	367.63	9.45	-67.68
CC1=[NH+]C=C2CCC(C(=O)NC(CC(=O)[O-])C3=CC=CC(F)=C3)CN12	REAL300006008205	1	45	0.0	-69.02	361.39	9.12	-59.90
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)N1CC[NH+](C)CC1	REAL300006008272	1	48	0.0	-65.84	373.75	6.96	-58.88
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008306	0	43	0.0	-57.56	342.59	8.68	-48.88
C[N@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008306	1	43	0.0	-61.38	326.47	7.85	-53.53
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006008378	0	43	0.0	-70.87	345.41	8.72	-62.15
O=C([O-])CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CC(F)=C1	REAL300006008403	0	38	0.0	-64.48	330.65	10.72	-53.76
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CCCCC1	REAL300006008431	0	52	0.0	-69.87	375.92	10.60	-59.27
C[N@H+](CCC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)C1CCCCC1	REAL300006008435	0	52	0.0	-75.73	391.89	9.98	-65.75
C[N@@H+](CCC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)C1CCCCC1	REAL300006008435	1	52	0.0	-75.77	391.90	9.97	-65.80
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006008493	0	43	0.0	-70.87	345.41	8.72	-62.15
O=C([O-])CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=CC(F)=C1	REAL300006008496	0	46	0.0	-82.05	381.18	8.98	-73.07
O=C([O-])CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=CC(F)=C1	REAL300006008511	0	54	0.0	-69.22	398.59	8.51	-60.71
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008540	1	44	0.0	-63.76	371.33	10.10	-53.66
O=C([O-])CC(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=CC(F)=C1	REAL300006008541	1	50	0.0	-80.37	391.80	7.96	-72.41
CC[N@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C=C1)C(C)C	REAL300006008543	0	55	0.0	-83.07	419.36	11.50	-71.57
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C=C1)C(C)C	REAL300006008543	1	55	0.0	-83.33	410.98	11.08	-72.25
O=C([O-])CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(F)=C1	REAL300006008580	0	50	0.0	-56.40	403.67	11.58	-44.82
O=C([O-])CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(F)=C1	REAL300006008580	1	50	0.0	-75.82	398.53	10.87	-64.95
O=C([O-])CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=CC(F)=C1	REAL300006008581	0	51	0.0	-70.09	404.14	10.94	-59.15
O=C([O-])CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=CC(F)=C1	REAL300006008607	0	54	0.0	-60.92	387.71	9.03	-51.89
CCC(C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)[NH+](CC)CC	REAL300006008611	0	48	0.0	-63.40	358.49	8.81	-54.59
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300006008613	0	49	0.0	-53.72	394.61	11.28	-42.44
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006008613	1	49	0.0	-71.72	388.28	10.40	-61.32
O=C([O-])CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=CC(F)=C1	REAL300006008622	0	56	0.0	-70.50	437.41	12.43	-58.07
O=C([O-])CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=CC(F)=C1	REAL300006008622	1	56	0.0	-67.53	431.26	12.68	-54.85
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300006008635	0	45	0.0	-82.97	367.49	8.39	-74.58
CCC[NH+](CCC)CCCC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008641	0	54	0.0	-75.77	415.52	10.56	-65.21
C[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006008643	1	41	0.0	-66.90	337.75	7.55	-59.35
C[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006008643	1	41	0.0	-86.62	330.62	6.85	-79.77
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008651	1	44	0.0	-66.59	359.13	9.12	-57.47
O=C([O-])CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=CC(F)=C1	REAL300006008666	0	50	0.0	-86.45	396.58	11.03	-75.42
O=C([O-])CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=CC(F)=C1	REAL300006008672	0	53	0.0	-77.68	413.28	11.71	-65.97
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006008677	0	43	0.0	-70.99	344.21	9.29	-61.70
C[NH+](C)CCCCC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008685	0	45	0.0	-78.86	358.90	8.50	-70.36
CC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300006008706	1	44	0.0	-83.21	368.70	8.28	-74.93
O=C([O-])CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC(F)=C1	REAL300006008709	0	53	0.0	-86.61	412.90	11.68	-74.93
O=C([O-])CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=CC(F)=C1	REAL300006008721	1	46	0.0	-71.99	383.89	9.30	-62.69
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300006008722	0	49	0.0	-89.12	394.26	10.72	-78.40
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008728	1	42	0.0	-66.72	342.88	7.45	-59.27
O=C([O-])CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC(F)=C1	REAL300006008729	1	51	0.0	-70.54	400.14	10.23	-60.31
O=C([O-])CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC(F)=C1	REAL300006008729	1	51	0.0	-48.16	407.86	11.02	-37.14
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)C1CCC1	REAL300006008749	0	43	0.0	-68.24	339.70	8.37	-59.87
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)C1CCC1	REAL300006008749	1	43	0.0	-52.23	346.77	9.07	-43.16
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)[NH+]1CCSCC1	REAL300006008770	1	44	0.0	-70.20	347.75	8.29	-61.91
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)CC(C)(C)C	REAL300006008776	0	48	0.0	-56.00	368.27	9.56	-46.44
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)CC(C)(C)C	REAL300006008776	1	48	0.0	-70.42	363.91	8.98	-61.44
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008778	0	49	0.0	-57.56	399.78	11.53	-46.03
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008778	1	49	0.0	-73.89	392.62	10.82	-63.07
COCCOCC[N@H+](C)CCC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008779	0	53	0.0	-74.78	421.40	7.04	-67.74
COCCOCC[N@@H+](C)CCC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008779	1	53	0.0	-76.51	421.66	7.00	-69.51
C[N@@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006008783	0	47	0.0	-63.82	368.00	7.48	-56.34
C[N@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006008783	1	47	0.0	-59.94	370.79	7.56	-52.38
CCCCCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008795	0	51	0.0	-57.46	404.28	10.83	-46.63
CCCCCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008795	1	51	0.0	-72.34	397.31	10.15	-62.19
O=C([O-])CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=CC(F)=C1	REAL300006008809	1	38	0.0	-69.78	330.92	10.72	-59.06
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)C1CCSC1	REAL300006008822	0	44	0.0	-60.71	359.76	9.32	-51.39
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)C1CCSC1	REAL300006008822	1	44	0.0	-76.64	352.88	8.60	-68.04
CC(C)[NH+]1CCN(CCC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006008837	0	54	0.0	-67.79	415.91	8.24	-59.55
CC(C)N1CC[NH+](CCC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006008837	1	54	0.0	-59.86	412.64	8.20	-51.66
CC(C)[NH+]1CCN(CCCC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006008838	0	57	0.0	-74.77	430.39	8.35	-66.42
CC(C)N1CC[NH+](CCCC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006008838	1	57	0.0	-63.38	433.63	8.96	-54.42
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CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008888	1	47	0.0	-68.92	379.49	9.58	-59.34
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC[N@@H+]1C	REAL300006008891	0	46	0.0	-76.35	350.36	8.09	-68.26
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC[N@H+]1C	REAL300006008891	1	46	0.0	-64.80	354.32	8.58	-56.22
CC1C[N@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)O1	REAL300006008901	1	44	0.0	-85.66	345.05	7.53	-78.13
CC1C[N@@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)O1	REAL300006008901	1	44	0.0	-69.59	351.97	7.95	-61.64
CC1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008908	1	38	0.0	-67.98	323.03	8.01	-59.97
CC(C[NH+]1CCOCC1)C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008910	0	47	0.0	-75.24	364.65	7.09	-68.15
CC1CC[NH+](CC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006008925	0	46	0.0	-71.68	356.67	8.88	-62.80
CC[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006008937	1	44	0.0	-64.61	355.50	8.20	-56.41
CC[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006008937	1	44	0.0	-67.04	348.41	8.03	-59.01
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006008967	1	53	0.0	-72.41	422.63	10.63	-61.78
O=C([O-])CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC=CC(F)=C1	REAL300006008968	0	53	0.0	-72.67	399.01	10.29	-62.38
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C[N@@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008975	0	46	0.0	-60.48	364.04	9.54	-50.94
C[N@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006008975	1	46	0.0	-59.16	361.94	9.20	-49.96
O=C([O-])CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=CC(F)=C1	REAL300006008986	0	47	0.0	-53.55	368.35	10.01	-43.54
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C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC(=O)[O-])C3=CC=CC(F)=C3)=C2)CC1	REAL300006008998	0	55	0.0	-76.38	430.39	9.28	-67.10
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC(=O)[O-])C3=CC=CC(F)=C3)C=C2)CC1	REAL300006008999	0	55	0.0	-84.81	429.39	9.11	-75.70
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC(=O)[O-])C3=CC=CC(F)=C3)C=C2)CC1	REAL300006008999	1	55	0.0	-87.74	429.85	9.19	-78.55
CC(C)[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006009008	0	49	0.0	-67.35	376.08	9.67	-57.68
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CC1CCC(C)[NH+]1CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006009123	0	46	0.0	-53.57	357.68	9.07	-44.50
C[NH+](C)CC1=CC=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300006009124	0	46	0.0	-71.87	378.80	10.58	-61.29
O=C([O-])CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(F)=C1	REAL300006009125	0	53	0.0	-57.25	421.89	12.38	-44.87
O=C([O-])CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(F)=C1	REAL300006009125	1	53	0.0	-73.01	414.44	11.57	-61.44
C#CC[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006009179	0	45	0.0	-69.83	370.08	9.88	-59.95
CC[NH+]1CCN(CCC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006009181	0	51	0.0	-69.46	398.66	7.69	-61.77
CCN1CC[NH+](CCC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006009181	1	51	0.0	-75.13	392.09	7.03	-68.10
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006009188	1	47	0.0	-68.38	378.90	9.53	-58.85
CC[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)C1CC1	REAL300006009194	0	43	0.0	-51.99	346.84	9.15	-42.84
CC[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)C1CC1	REAL300006009194	1	43	0.0	-68.26	338.27	8.35	-59.91
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)[NH+]1CCCCCC1	REAL300006009221	0	49	0.0	-54.27	365.28	9.84	-44.43
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(=O)[O-])C3=CC=CC(F)=C3)=CC=C1N2	REAL300006009259	1	51	0.0	-76.40	413.52	11.09	-65.31
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)O1	REAL300006009298	0	49	0.0	-81.13	393.11	9.55	-71.58
O=C([O-])CC(NC(=O)CCCC[NH+]1CCCC1)C1=CC=CC(F)=C1	REAL300006009299	0	49	0.0	-65.85	391.80	10.51	-55.34
CC1=CC=C(N2CCC(C(=O)NC(CC(=O)[O-])C3=CC=CC(F)=C3)CC2)[NH+]=C1	REAL300006009301	1	52	0.0	-65.03	414.78	10.30	-54.73
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1)CC1=CC=CC=C1	REAL300006009302	1	46	0.0	-75.15	370.14	9.98	-65.17
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O=C([O-])CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC=CC(F)=C1	REAL300006009327	1	41	0.0	-73.16	359.79	8.64	-64.52
C[NH+](C)CC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)=NO1	REAL300006009350	1	42	0.0	-73.71	359.59	8.23	-65.48
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006009354	0	53	0.0	-60.44	425.93	12.13	-48.31
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006009354	1	53	0.0	-62.70	421.01	12.07	-50.63
CC(C)[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006009369	0	46	0.0	-68.68	345.89	8.55	-60.13
CC(C)[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=CC(F)=C1	REAL300006009369	1	46	0.0	-61.60	343.31	9.99	-51.61
C[NH+]1CCC(OCC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006009389	0	47	0.0	-83.28	373.43	8.47	-74.81
O=C([O-])CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=CC=CC(F)=C1	REAL300006009394	0	50	0.0	-82.45	398.57	9.96	-72.49
CCC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006009544	0	49	0.0	-55.45	383.99	10.21	-45.24
CCC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006009544	1	49	0.0	-73.27	377.63	9.43	-63.84
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CC(C)[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006009753	0	49	0.0	-57.88	379.14	9.98	-47.90
CC(C)[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006009753	1	49	0.0	-55.84	379.71	9.85	-45.99
C[N@@H+]1CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C(C(F)(F)F)C1	REAL300006009754	0	43	0.0	-69.45	347.75	8.61	-60.84
C[N@H+]1CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C(C(F)(F)F)C1	REAL300006009754	1	43	0.0	-74.75	364.42	8.94	-65.81
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)N1	REAL300006009778	1	44	0.0	-69.15	363.72	7.66	-61.49
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300006010170	0	49	0.0	-74.69	401.29	11.42	-63.27
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300006010177	0	50	0.0	-87.09	401.56	9.68	-77.41
O=C([O-])CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC(F)=C1	REAL300006010267	0	56	0.0	-73.30	433.24	12.31	-60.99
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006010296	0	43	0.0	-63.30	350.26	8.79	-54.51
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300006010300	0	49	0.0	-50.09	372.10	9.82	-40.27
CC1=[NH+]C=C2C=CC(C(=O)NC(CC(=O)[O-])C3=CC=CC(F)=C3)=CN12	REAL300006010304	0	41	0.0	-72.22	345.15	9.66	-62.56
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006010357	0	52	0.0	-65.95	388.73	10.31	-55.64
CC(C)C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006010357	1	52	0.0	-65.89	394.68	10.08	-55.81
CC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006010358	0	46	0.0	-64.57	355.60	8.66	-55.91
CC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006010358	1	46	0.0	-72.85	356.05	8.65	-64.20
C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006010362	0	43	0.0	-57.79	332.05	8.22	-49.57
C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C1	REAL300006010362	1	43	0.0	-74.66	338.00	8.03	-66.63
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)O1	REAL300006010364	1	43	0.0	-83.78	356.98	8.09	-75.69
O=C([O-])CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=CC(F)=C1	REAL300006010372	0	45	0.0	-53.44	359.05	9.75	-43.69
O=C([O-])CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=CC(F)=C1	REAL300006010372	1	45	0.0	-64.18	357.68	9.06	-55.12
CC1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC2=CC=CC=C21	REAL300006010455	0	53	0.0	-49.38	387.79	10.16	-39.22
CC1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC2=CC=CC=C21	REAL300006010455	1	53	0.0	-50.10	388.87	10.17	-39.93
C[NH+](C)CC1COCCN1C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300006010507	0	45	0.0	-69.25	341.88	6.66	-62.59
CCOC1=CC(C(=O)N2CCOCC2C[NH+](C)C)=CC=C1OCC(=O)[O-]	REAL300006010508	0	52	0.0	-74.89	396.71	7.39	-67.50
C[NH+](C)CC1COCCN1C(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300006010509	0	47	0.0	-74.01	359.26	8.29	-65.72
C[NH+](C)CC1COCCN1C(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300006010510	0	45	0.0	-73.22	343.87	7.83	-65.39
C[NH+](C)CC1COCCN1C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006010511	0	49	0.0	-72.78	388.88	2.99	-69.79
C[NH+](C)CC1COCCN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006010512	0	43	0.0	-62.80	340.07	6.80	-56.00
C[NH+](C)CC1COCCN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006010513	0	43	0.0	-62.80	340.07	6.80	-56.00
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCOCC2C[NH+](C)C)C=C1	REAL300006010514	0	51	0.0	-74.18	386.08	7.94	-66.24
C[NH+](C)CC1COCCN1C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300006010515	0	47	0.0	-60.16	347.98	7.91	-52.25
CC1=CC(C(=O)N2CCOCC2C[NH+](C)C)=CC(C)=C1OCC(=O)[O-]	REAL300006010516	0	51	0.0	-70.99	384.32	8.13	-62.86
C[NH+](C)CC1COCCN1C(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300006010517	0	44	0.0	-70.28	337.85	7.48	-62.80
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300006010518	0	41	0.0	-55.23	312.17	6.13	-49.10
C[NH+](C)CC1COCCN1C(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300006010519	0	44	0.0	-74.25	334.84	7.34	-66.91
CC1=NC(C(=O)N2CCOCC2C[NH+](C)C)=CC=C1C(=O)[O-]	REAL300006010520	0	43	0.0	-62.36	319.08	5.68	-56.68
C[NH+](C)CC1COCCN1C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300006010521	0	41	0.0	-66.14	332.60	6.97	-59.17
C[NH+](C)CC1COCCN1C(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300006010522	0	44	0.0	-67.02	330.30	6.98	-60.04
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCOCC1C[NH+](C)C	REAL300006010523	0	44	0.0	-63.97	343.14	6.33	-57.64
C[NH+](C)CC1COCCN1C(=O)CC1CCC(C(=O)[O-])CC1	REAL300006010524	0	50	0.0	-70.12	355.03	7.60	-62.52
C[NH+](C)CC1COCCN1C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300006010525	0	43	0.0	-70.07	336.88	6.29	-63.78
C[NH+](C)CC1COCCN1C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006010526	0	48	0.0	-68.11	361.12	7.56	-60.55
C[NH+](C)CC1COCCN1C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006010527	0	54	0.0	-69.85	392.09	9.68	-60.17
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300006010528	0	42	0.0	-66.16	329.49	6.30	-59.86
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300006010529	0	45	0.0	-69.08	346.52	6.69	-62.39
C[C@@H]1C[C@H](C(=O)N2CCOCC2C[NH+](C)C)O[C@H]1C(=O)[O-]	REAL300006010530	0	45	0.0	-69.71	328.29	5.82	-63.89
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006010531	0	44	0.0	-64.34	336.42	7.10	-57.24
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006010532	0	45	0.0	-70.96	339.02	7.45	-63.51
C[NH+](C)CC1COCCN1C(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006010533	0	42	0.0	-68.26	328.60	6.10	-62.16
C[NH+](C)CC1COCCN1C(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006010534	0	44	0.0	-72.03	343.08	2.24	-69.79
C[NH+](C)CC1COCCN1C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006010535	0	42	0.0	-67.95	332.84	6.55	-61.40
CC1=CC=C(C(=O)N2CCOCC2C[NH+](C)C)C=C1C(=O)[O-]	REAL300006010536	0	44	0.0	-70.22	326.92	6.90	-63.32
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCOCC1C[NH+](C)C	REAL300006010537	0	43	0.0	-63.41	323.88	5.17	-58.24
C[NH+](C)CC1COCCN1C(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006010538	0	47	0.0	-80.66	360.00	6.18	-74.48
C[NH+](C)CC1COCCN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300006010539	0	48	0.0	-69.37	353.41	6.41	-62.96
C[NH+](C)CC1COCCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006010540	0	48	0.0	-64.45	350.53	5.24	-59.21
C[NH+](C)CC1COCCN1C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006010541	0	49	0.0	-54.19	335.71	7.91	-46.28
C[NH+](C)CC1COCCN1C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006010543	0	48	0.0	-68.11	361.12	7.56	-60.55
C[NH+](C)CC1COCCN1C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006010544	0	48	0.0	-81.16	371.21	8.87	-72.29
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCOCC1C[NH+](C)C	REAL300006010545	0	44	0.0	-66.08	332.21	7.13	-58.95
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCOCC1C[NH+](C)C	REAL300006010546	0	43	0.0	-64.60	321.37	5.12	-59.48
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCOCC1C[NH+](C)C	REAL300006010547	0	44	0.0	-70.24	331.80	7.10	-63.14
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006010548	0	41	0.0	-56.93	317.20	7.14	-49.79
C[NH+](C)CC1COCCN1C(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300006010549	0	48	0.0	-68.58	352.62	7.59	-60.99
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCOCC2C[NH+](C)C)=C1	REAL300006010550	0	44	0.0	-59.75	334.62	4.76	-54.99
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006010551	0	47	0.0	-67.33	354.87	7.96	-59.37
C[NH+](C)CC1COCCN1C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006010552	0	45	0.0	-61.93	346.85	7.27	-54.66
CC1=C(C(=O)N2CCOCC2C[NH+](C)C)C=C(C(=O)[O-])S1	REAL300006010553	0	41	0.0	-64.04	321.28	6.27	-57.77
C[NH+](C)CC1COCCN1C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006010554	0	41	0.0	-72.23	336.60	6.81	-65.42
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCOCC2C[NH+](C)C)=C1	REAL300006010555	0	45	0.0	-65.80	349.57	6.05	-59.75
C[NH+](C)CC1COCCN1C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006010556	0	44	0.0	-72.67	339.07	7.26	-65.41
C[NH+](C)CC1COCCN1C(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006010557	0	46	0.0	-64.18	346.20	6.26	-57.92
C[NH+](C)CC1COCCN1C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006010558	0	45	0.0	-73.18	343.91	7.81	-65.37
C[NH+](C)CC1COCCN1C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006010559	0	42	0.0	-65.05	334.84	5.98	-59.07
C[NH+](C)CC1COCCN1C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006010560	0	42	0.0	-71.94	336.19	6.09	-65.85
C[NH+](C)CC1COCCN1C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006010561	0	42	0.0	-65.90	326.18	5.14	-60.76
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCOCC1C[NH+](C)C	REAL300006010562	0	44	0.0	-67.67	328.06	6.96	-60.71
C[NH+](C)CC1COCCN1C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006010563	0	44	0.0	-75.43	339.59	6.05	-69.38
C[NH+](C)CC1COCCN1C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300006010564	0	46	0.0	-51.82	329.66	4.86	-46.96
C[NH+](C)CC1COCCN1C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006010565	0	47	0.0	-74.24	350.36	8.43	-65.81
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCOCC1C[NH+](C)C	REAL300006010566	0	47	0.0	-75.60	352.10	7.82	-67.78
C[NH+](C)CC1COCCN1C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300006010567	0	41	0.0	-70.15	326.38	6.47	-63.68
C[NH+](C)CC1COCCN1C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006010568	0	44	0.0	-77.36	339.38	7.37	-69.99
C[NH+](C)CC1COCCN1C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300006010569	0	48	0.0	-69.25	363.36	8.02	-61.23
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=NC=CC=N3)CCOC2)C1	REAL300006010635	0	46	0.0	-50.40	345.19	5.45	-44.95
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=NC=CC=N3)CCOC2)C1	REAL300006010635	1	46	0.0	-49.28	350.86	5.63	-43.65
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=COC(C2=CC=CC=C2)=N1	REAL300006010748	0	55	0.0	-53.45	428.49	8.10	-45.35
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=COC(C2=CC=CC=C2)=N1	REAL300006010748	1	55	0.0	-54.03	428.35	8.11	-45.92
O=C([O-])C1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300006012093	0	50	0.0	-77.94	384.93	10.87	-67.07
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC(F)(F)C1	REAL300006012830	1	47	0.0	-66.72	362.60	10.19	-56.53
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC(F)(F)C1	REAL300006012830	1	47	0.0	-64.13	364.25	10.25	-53.88
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC(F)(F)C1	REAL300006013780	0	44	0.0	-71.39	333.59	8.55	-62.84
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2C2CC2)CC(F)(F)C1	REAL300006013811	1	41	0.0	-62.71	312.15	7.66	-55.05
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2C2CC2)CC(F)(F)C1	REAL300006013811	1	41	0.0	-63.73	310.56	7.57	-56.16
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)CN12	REAL300006013817	1	42	0.0	-49.86	331.29	8.36	-41.50
O=C([O-])C1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC(F)(F)C1	REAL300006013818	0	50	0.0	-50.52	378.56	10.36	-40.16
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)CC2)=CS1	REAL300006013899	1	49	0.0	-77.24	392.69	8.67	-68.57
CC(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)N1CC[NH+](C)CC1	REAL300006013900	1	45	0.0	-68.59	331.62	5.28	-63.31
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300006013987	0	53	0.0	-75.28	418.64	10.56	-64.72
CC1(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006014000	0	53	0.0	-53.68	389.61	10.90	-42.78
O=C([O-])C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC(F)(F)C1	REAL300006014059	0	35	0.0	-58.44	293.76	8.96	-49.48
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CCCCC1	REAL300006014090	0	49	0.0	-73.76	338.55	9.18	-64.58
C[N@H+](CCC(=O)N1CC(C(=O)[O-])CC(F)(F)C1)C1CCCCC1	REAL300006014095	0	49	0.0	-71.68	363.28	9.45	-62.23
C[N@@H+](CCC(=O)N1CC(C(=O)[O-])CC(F)(F)C1)C1CCCCC1	REAL300006014095	1	49	0.0	-71.97	363.25	9.44	-62.53
O=C([O-])C1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC(F)(F)C1	REAL300006014173	0	43	0.0	-74.39	354.79	8.13	-66.26
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC(F)(F)C1	REAL300006014200	0	50	0.0	-60.30	360.28	9.52	-50.78
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC(F)(F)C1	REAL300006014200	1	50	0.0	-60.73	357.84	9.43	-51.30
O=C([O-])C1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC(F)(F)C1	REAL300006014201	0	51	0.0	-77.03	376.19	7.96	-69.07
CC1=[NH+]C=CN1CCCC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014232	1	41	0.0	-68.57	335.81	8.74	-59.83
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCOCC2)CC(F)(F)C1	REAL300006014233	1	47	0.0	-75.39	363.10	7.42	-67.97
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=C1)C(C)C	REAL300006014235	0	52	0.0	-76.60	389.49	10.56	-66.04
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=C1)C(C)C	REAL300006014235	1	52	0.0	-76.99	381.13	10.13	-66.86
O=C([O-])C1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300006014260	0	47	0.0	-71.59	364.78	10.11	-61.48
O=C([O-])C1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300006014260	1	47	0.0	-72.23	368.75	10.21	-62.02
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC(F)(F)C1	REAL300006014261	0	48	0.0	-78.83	363.53	9.25	-69.58
C[NH+]1CCN(C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C2=CC=CC=C2)CC1	REAL300006014289	1	52	0.0	-66.13	389.37	8.06	-58.07
O=C([O-])C1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC(F)(F)C1	REAL300006014290	0	51	0.0	-72.28	357.25	7.47	-64.81
CCC(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)[NH+](CC)CC	REAL300006014294	0	45	0.0	-58.35	325.94	7.96	-50.39
CC(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)[N@H+](C)CC1=CC=CC=C1	REAL300006014296	0	46	0.0	-68.01	355.79	9.65	-58.36
CC(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006014296	1	46	0.0	-67.47	355.98	9.66	-57.81
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300006014307	0	53	0.0	-54.23	398.53	11.87	-42.36
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300006014307	1	53	0.0	-65.41	399.05	11.84	-53.57
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=N1	REAL300006014333	0	42	0.0	-62.40	339.22	7.05	-55.35
CCC[NH+](CCC)CCCC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014344	0	51	0.0	-71.66	382.93	9.76	-61.90
CC[N@H+](C)C(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)C1=CC=CC=C1	REAL300006014346	0	46	0.0	-57.64	352.18	9.65	-47.99
CC[N@@H+](C)C(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)C1=CC=CC=C1	REAL300006014346	1	46	0.0	-61.11	353.30	9.66	-51.45
CC[NH+](CC)C(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)C1=CC=CC=C1	REAL300006014351	0	49	0.0	-60.47	361.82	9.99	-50.48
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014358	1	41	0.0	-62.71	330.71	8.54	-54.17
C[NH+](C)C(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)C1=CC=C(Cl)C=C1	REAL300006014362	1	43	0.0	-63.06	349.72	9.52	-53.54
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC(F)(F)C1	REAL300006014376	0	47	0.0	-79.88	367.88	10.13	-69.75
O=C([O-])C1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC(F)(F)C1	REAL300006014383	0	50	0.0	-70.99	384.74	10.84	-60.15
CCN1CCC([NH+]2CCC(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)CC2)CC1	REAL300006014389	0	58	0.0	-74.28	419.00	8.63	-65.65
CC1C[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)C=C2)CC(C)O1	REAL300006014396	1	54	0.0	-82.51	417.96	9.86	-72.65
O=C([O-])C1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC(F)(F)C1	REAL300006014407	1	51	0.0	-78.82	398.87	10.36	-68.46
O=C([O-])C1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC(F)(F)C1	REAL300006014407	1	51	0.0	-81.95	392.48	10.33	-71.62
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC(F)(F)C1	REAL300006014423	1	50	0.0	-61.21	381.26	10.92	-50.29
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC(F)(F)C1	REAL300006014423	1	50	0.0	-63.30	379.79	10.84	-52.46
CC1=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=NN1C1=CC=[NH+]C=C1	REAL300006014425	1	41	0.0	-77.02	340.00	7.35	-69.67
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC(F)(F)C1	REAL300006014433	0	50	0.0	-80.24	384.64	10.84	-69.40
O=C([O-])C1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC(F)(F)C1	REAL300006014446	1	43	0.0	-67.16	345.60	8.24	-58.92
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300006014447	0	46	0.0	-81.75	365.57	9.82	-71.93
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014459	1	39	0.0	-61.51	318.31	6.43	-55.08
O=C([O-])C1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC(F)(F)C1	REAL300006014460	1	48	0.0	-75.09	366.56	9.41	-65.68
O=C([O-])C1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC(F)(F)C1	REAL300006014460	1	48	0.0	-75.44	367.64	9.44	-66.00
CC(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006014472	0	56	0.0	-65.79	420.57	12.18	-53.61
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1)CC(C)(C)C	REAL300006014523	0	45	0.0	-66.77	332.18	8.15	-58.62
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1)CC(C)(C)C	REAL300006014523	1	45	0.0	-66.80	334.12	8.30	-58.50
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014525	0	46	0.0	-70.63	363.48	10.19	-60.44
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014525	1	46	0.0	-70.63	363.48	10.19	-60.44
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014526	0	50	0.0	-71.16	392.97	6.46	-64.70
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014526	1	50	0.0	-73.15	393.02	6.47	-66.68
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006014530	0	44	0.0	-69.15	331.38	6.23	-62.92
C[N@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006014530	1	44	0.0	-70.08	322.09	6.06	-64.02
O=C([O-])C1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300006014544	0	55	0.0	-76.86	419.14	9.97	-66.89
CCCCCC[N@H+](C)CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014548	0	48	0.0	-68.44	368.07	9.52	-58.92
CCCCCC[N@@H+](C)CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014548	1	48	0.0	-68.44	368.07	9.52	-58.92
O=C([O-])C1CN(C(=O)C23CCC[NH+]2CCC3)CC(F)(F)C1	REAL300006014557	0	41	0.0	-62.46	300.01	7.09	-55.37
O=C([O-])C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC(F)(F)C1	REAL300006014565	1	35	0.0	-60.66	294.01	8.97	-51.69
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1)C1CCSC1	REAL300006014583	0	41	0.0	-70.93	325.74	7.99	-62.94
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1)C1CCSC1	REAL300006014583	1	41	0.0	-72.18	324.18	8.01	-64.17
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006014598	0	51	0.0	-69.77	379.69	6.99	-62.78
CC(C)N1CC[NH+](CCC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006014598	1	51	0.0	-71.39	376.68	6.81	-64.58
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006014599	0	54	0.0	-68.82	401.68	7.81	-61.01
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006014599	1	54	0.0	-72.56	398.50	7.65	-64.91
O=C([O-])C1CN(C(=O)C2CCCC3CCC[N@@H+]32)CC(F)(F)C1	REAL300006014600	0	44	0.0	-58.72	328.61	8.48	-50.24
O=C([O-])C1CN(C(=O)C2CCCC3CCC[N@H+]32)CC(F)(F)C1	REAL300006014600	1	44	0.0	-57.86	329.47	8.46	-49.40
C[NH+](C)CCN1C=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=N1	REAL300006014602	0	43	0.0	-68.84	346.53	6.98	-61.86
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C(=O)[O-])CC(F)(F)C3)CC2)=C1	REAL300006014610	0	55	0.0	-75.76	419.04	9.85	-65.91
O=C([O-])C1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300006014612	0	52	0.0	-75.98	397.14	9.13	-66.85
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC(F)(F)C1	REAL300006014615	0	49	0.0	-75.18	380.52	9.15	-66.03
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC(F)(F)C1	REAL300006014615	1	49	0.0	-67.87	368.05	8.85	-59.02
O=C([O-])C1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300006014646	0	50	0.0	-76.62	389.89	11.09	-65.53
O=C([O-])C1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300006014646	1	50	0.0	-76.37	390.42	11.09	-65.28
C[NH+](C)CCN1C=CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=N1	REAL300006014662	0	43	0.0	-83.52	346.40	7.63	-75.89
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014663	0	43	0.0	-60.47	342.00	6.98	-53.49
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014669	1	44	0.0	-64.06	350.78	9.06	-55.00
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC[N@@H+]1C	REAL300006014672	0	43	0.0	-72.15	316.92	7.28	-64.87
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC[N@H+]1C	REAL300006014672	1	43	0.0	-66.97	318.31	7.70	-59.27
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=NN1	REAL300006014675	1	44	0.0	-66.58	347.30	7.14	-59.44
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=NN1	REAL300006014675	1	44	0.0	-66.22	347.84	7.12	-59.10
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014676	1	39	0.0	-62.81	309.48	7.52	-55.29
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014676	1	39	0.0	-46.93	315.27	7.87	-39.06
CC1C[N@H+](C)CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)O1	REAL300006014683	1	41	0.0	-77.26	310.16	6.29	-70.97
CC1C[N@@H+](C)CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)O1	REAL300006014683	1	41	0.0	-56.34	318.67	6.76	-49.58
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC(F)(F)C1	REAL300006014689	0	50	0.0	-75.18	391.99	10.98	-64.20
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC(F)(F)C1	REAL300006014689	1	50	0.0	-66.98	379.58	10.77	-56.21
CC(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014695	0	44	0.0	-56.32	334.79	6.34	-49.98
O=C([O-])C1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC(F)(F)C1	REAL300006014696	0	51	0.0	-75.85	395.36	8.60	-67.25
CC1CC[NH+](CC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006014705	1	43	0.0	-67.78	327.74	8.27	-59.51
CC[N@@H+]1CCOC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006014720	1	41	0.0	-70.39	307.70	6.46	-63.93
CC[N@H+]1CCOC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006014720	1	41	0.0	-70.79	308.34	6.50	-64.29
O=C([O-])C1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC(F)(F)C1	REAL300006014760	0	50	0.0	-69.27	363.97	9.48	-59.79
O=C([O-])C1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC(F)(F)C1	REAL300006014760	1	50	0.0	-53.18	369.51	9.66	-43.52
C[N@@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014767	0	43	0.0	-70.52	326.57	7.86	-62.66
C[N@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014767	1	43	0.0	-69.27	326.52	7.85	-61.42
O=C([O-])C1CN(C(=O)C23CCC[NH+](CCC2)C3)CC(F)(F)C1	REAL300006014779	0	44	0.0	-79.64	310.53	7.41	-72.23
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014783	1	41	0.0	-67.57	301.96	3.01	-64.56
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014783	1	41	0.0	-62.89	299.74	2.62	-60.27
O=C([O-])C1CN(C(=O)C2CCC3CCCC[N@@H+]32)CC(F)(F)C1	REAL300006014784	0	44	0.0	-61.89	324.39	8.28	-53.61
O=C([O-])C1CN(C(=O)C2CCC3CCCC[N@H+]32)CC(F)(F)C1	REAL300006014784	1	44	0.0	-61.59	323.97	8.26	-53.33
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014792	0	47	0.0	-57.30	345.15	6.72	-50.58
CC(C)[N@@H+]1CCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C(C2=CN(C)N=C2)C1	REAL300006014797	0	56	0.0	-77.07	415.43	9.15	-67.92
CC(C)[N@H+]1CCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C(C2=CN(C)N=C2)C1	REAL300006014797	1	56	0.0	-79.74	418.24	9.23	-70.51
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=N1	REAL300006014798	0	50	0.0	-83.67	382.26	8.10	-75.57
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=N1	REAL300006014798	1	50	0.0	-75.34	375.23	8.32	-67.02
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)=C2)CC1	REAL300006014803	0	52	0.0	-68.05	401.86	8.40	-59.65
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300006014804	0	52	0.0	-75.72	401.69	8.40	-67.32
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300006014804	1	52	0.0	-81.21	401.16	8.29	-72.92
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300006014805	0	53	0.0	-76.08	402.56	9.77	-66.31
CC(C)[NH+]1CCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006014813	0	46	0.0	-55.21	342.59	8.51	-46.70
O=C([O-])C1CN(C(=O)C23CC[N@H+](C2)CCC3)CC(F)(F)C1	REAL300006014897	0	41	0.0	-70.21	295.77	6.55	-63.66
O=C([O-])C1CN(C(=O)C23CC[N@@H+](C2)CCC3)CC(F)(F)C1	REAL300006014897	1	41	0.0	-70.23	296.81	6.63	-63.60
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CC(F)(F)C1	REAL300006014946	0	54	0.0	-82.78	416.31	8.15	-74.63
CC1CCC(C)[NH+]1CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006014952	0	43	0.0	-63.41	321.92	7.81	-55.60
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=C1	REAL300006014953	0	43	0.0	-72.13	343.23	8.98	-63.15
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300006014954	0	50	0.0	-71.18	385.57	10.91	-60.27
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300006014954	1	50	0.0	-53.21	375.30	10.97	-42.24
C#CC[NH+]1CCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006015022	0	42	0.0	-57.91	332.58	8.49	-49.42
CCC[N@@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006015024	0	46	0.0	-65.76	336.36	8.42	-57.34
CCC[N@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006015024	1	46	0.0	-62.55	333.47	8.23	-54.32
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006015025	0	43	0.0	-55.33	339.25	9.03	-46.30
CC[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006015027	0	48	0.0	-71.41	362.95	6.47	-64.94
CCN1CC[NH+](CCC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006015027	1	48	0.0	-71.53	363.44	6.50	-65.03
CC(C)C(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)[NH+]1CCCCC1	REAL300006015029	0	49	0.0	-60.24	348.66	9.21	-51.03
C[NH+](C)C(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)C1=CC=CC=C1	REAL300006015030	1	43	0.0	-59.91	332.96	8.99	-50.92
O=C([O-])C1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300006015034	0	48	0.0	-71.59	375.76	7.16	-64.43
O=C([O-])C1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300006015034	1	48	0.0	-56.33	374.89	7.10	-49.23
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006015040	1	44	0.0	-63.26	350.02	8.97	-54.29
C[NH+](C)CC1=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)OC2=CC=CC=C21	REAL300006015041	0	46	0.0	-62.62	360.66	9.67	-52.95
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC(F)(F)C1	REAL300006015047	0	47	0.0	-62.46	347.96	9.08	-53.38
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2C2CCCC2)CC(F)(F)C1	REAL300006015047	1	47	0.0	-65.75	339.95	9.27	-56.48
CC(C(=O)N1CC(C(=O)[O-])CC(F)(F)C1)[NH+]1CCCCCC1	REAL300006015078	0	46	0.0	-61.29	329.59	8.14	-53.15
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)=CC=C1N2	REAL300006015115	1	48	0.0	-64.41	377.69	9.36	-55.05
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)=CC=C1N2	REAL300006015115	1	48	0.0	-82.81	378.29	9.38	-73.43
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)O1	REAL300006015173	0	46	0.0	-53.94	361.16	8.91	-45.03
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCCC2)CC(F)(F)C1	REAL300006015174	0	46	0.0	-72.10	356.16	9.15	-62.95
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)CC2)[NH+]=C1	REAL300006015176	1	49	0.0	-70.21	378.24	8.78	-61.43
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1)CC1=CC=CC=C1	REAL300006015177	1	43	0.0	-71.29	341.00	9.35	-61.94
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC(F)(F)C1)CC1=CC=CC=C1	REAL300006015177	1	43	0.0	-71.33	341.05	9.34	-61.99
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300006015181	0	55	0.0	-61.14	411.71	9.38	-51.76
O=C([O-])C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC(F)(F)C1	REAL300006015199	1	38	0.0	-76.48	321.42	6.90	-69.58
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=NO1	REAL300006015230	1	39	0.0	-68.39	319.10	7.04	-61.35
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006015234	0	50	0.0	-77.20	384.09	10.56	-66.64
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006015234	1	50	0.0	-70.33	383.73	11.12	-59.21
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006015253	0	43	0.0	-62.39	315.39	7.58	-54.81
CC(C)[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006015253	1	43	0.0	-62.59	316.19	7.61	-54.98
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300006015260	0	51	0.0	-64.55	405.98	10.27	-54.28
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006015279	0	44	0.0	-77.36	344.52	7.94	-69.42
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC(F)(F)C1	REAL300006015285	0	47	0.0	-55.28	366.94	9.31	-45.97
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)[C@@H](C(F)(F)F)C1	REAL300006015328	0	49	0.0	-56.26	376.06	8.89	-47.37
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)[C@@H](C(F)(F)F)C1	REAL300006015328	1	49	0.0	-62.17	369.99	8.67	-53.50
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006015481	0	46	0.0	-68.47	347.02	8.69	-59.78
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006015481	1	46	0.0	-52.49	339.05	8.79	-43.70
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006015514	0	46	0.0	-65.51	336.25	8.92	-56.59
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006015514	1	46	0.0	-64.27	342.26	8.68	-55.59
O=C([O-])C1CN(C(=O)C[NH+]2CCC(CO)CC2)CC(F)(F)C1	REAL300006015515	1	44	0.0	-68.58	338.58	4.96	-63.62
O=C([O-])C1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC(F)(F)C1	REAL300006015617	0	51	0.0	-76.82	383.28	10.86	-65.96
O=C([O-])C1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC(F)(F)C1	REAL300006015617	1	51	0.0	-79.52	390.56	10.97	-68.55
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006015756	0	46	0.0	-68.95	343.11	8.51	-60.44
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006015756	1	46	0.0	-68.54	342.71	8.49	-60.05
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C(C(F)(F)F)C1	REAL300006015757	0	40	0.0	-76.00	324.42	7.34	-68.66
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C(C(F)(F)F)C1	REAL300006015757	1	40	0.0	-80.84	315.19	8.03	-72.81
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)N1	REAL300006015782	1	41	0.0	-64.49	335.75	7.15	-57.34
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=C1	REAL300006016286	0	46	0.0	-74.38	365.11	9.81	-64.57
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300006016294	0	47	0.0	-78.10	371.25	8.73	-69.37
O=C([O-])C1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300006016395	0	53	0.0	-73.13	404.59	11.79	-61.34
CC1CN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)C=C2)CCO1	REAL300006016397	0	51	0.0	-82.89	396.56	9.17	-73.72
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)C=C2)CCO1	REAL300006016397	1	51	0.0	-66.28	395.99	9.15	-57.13
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)C=C2)CCO1	REAL300006016397	1	51	0.0	-66.28	395.99	9.15	-57.13
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)CC1	REAL300006016444	0	46	0.0	-65.85	333.20	8.23	-57.62
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)=CN12	REAL300006016448	0	38	0.0	-68.59	321.22	8.94	-59.65
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006016511	0	49	0.0	-62.80	356.53	9.48	-53.32
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006016511	1	49	0.0	-61.87	353.30	9.48	-52.39
CC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006016512	0	43	0.0	-66.25	318.31	8.12	-58.13
CC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006016512	1	43	0.0	-60.54	316.42	8.05	-52.49
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)O1	REAL300006016518	1	40	0.0	-58.09	326.41	7.54	-50.55
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006016524	0	49	0.0	-62.16	337.51	7.92	-54.24
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C1	REAL300006016524	1	49	0.0	-80.99	338.75	7.80	-73.19
O=C([O-])C1CN(C(=O)C23CC(C2)CN3C2CC2)CC(F)(F)C1	REAL300006016527	0	42	0.0	-62.54	319.83	8.01	-54.53
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC(F)(F)C1	REAL300006016527	1	42	0.0	-64.14	323.86	8.24	-55.90
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC(F)(F)C1	REAL300006016527	1	42	0.0	-62.54	319.83	8.01	-54.53
O=C([O-])C1(C2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)CC(F)(F)C1	REAL300006018116	0	54	0.0	-82.34	392.86	10.87	-71.47
O=C([O-])C1(C2CCCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)CC(F)(F)C1	REAL300006018139	0	51	0.0	-71.56	376.24	10.29	-61.27
O=C([O-])C1(C2CCCN(C(=O)C3CCC[N@H+]3C3CC3)C2)CC(F)(F)C1	REAL300006018139	1	51	0.0	-68.42	374.33	10.18	-58.24
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C4(C(=O)[O-])CC(F)(F)C4)C3)CN12	REAL300006018145	1	52	0.0	-76.57	387.46	10.52	-66.05
C[NH+](C)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018205	0	43	0.0	-65.09	321.23	7.93	-57.16
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018206	0	50	0.0	-59.50	361.78	9.52	-49.98
C[N@H+]1CCCCC1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018206	1	50	0.0	-69.39	360.71	9.48	-59.91
CC(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)N1CC[NH+](C)CC1	REAL300006018207	1	55	0.0	-78.27	389.48	7.55	-70.72
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018241	0	50	0.0	-71.59	362.03	9.53	-62.06
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018241	1	50	0.0	-76.87	352.66	9.12	-67.75
C[NH+]1CCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006018297	0	50	0.0	-77.39	363.69	9.46	-67.93
O=C([O-])C1(C2CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)CC(F)(F)C1	REAL300006018327	0	45	0.0	-81.35	345.81	10.99	-70.36
C[NH+](C)CC1(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CCCCC1	REAL300006018354	0	59	0.0	-83.38	394.06	11.36	-72.02
C[N@H+](CCC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1CCCCC1	REAL300006018359	0	59	0.0	-77.39	421.03	11.64	-65.75
C[N@@H+](CCC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1CCCCC1	REAL300006018359	1	59	0.0	-77.72	421.01	11.63	-66.09
C[N@@H+]1CCCC1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018373	0	47	0.0	-73.69	337.41	8.41	-65.28
C[N@H+]1CCCC1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018373	1	47	0.0	-72.77	344.40	8.83	-63.94
C[NH+]1CCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006018421	0	50	0.0	-77.39	363.69	9.46	-67.93
O=C([O-])C1(C2CCCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C2)CC(F)(F)C1	REAL300006018433	0	60	0.0	-67.55	409.17	11.47	-56.08
O=C([O-])C1(C2CCCN(C(=O)C3CCCC[N@H+]3C3CCCC3)C2)CC(F)(F)C1	REAL300006018433	1	60	0.0	-70.93	409.17	11.53	-59.40
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018463	1	51	0.0	-78.54	393.53	10.93	-67.61
O=C([O-])C1(C2CCCN(C(=O)CCCC[NH+]3CCOCC3)C2)CC(F)(F)C1	REAL300006018464	1	57	0.0	-86.39	420.81	9.63	-76.76
C[C@@H](C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+](C)C	REAL300006018470	0	46	0.0	-68.46	340.23	8.42	-60.04
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018471	0	47	0.0	-73.64	338.21	8.41	-65.23
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018471	1	47	0.0	-71.50	342.38	8.74	-62.76
C[C@H](C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+](C)C	REAL300006018475	0	46	0.0	-72.01	335.70	8.24	-63.77
C[NH+](C)C1(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006018483	0	47	0.0	-80.20	341.13	8.64	-71.56
CCC(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+](CC)CC	REAL300006018542	0	55	0.0	-65.32	378.23	9.97	-55.35
CC(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300006018544	0	56	0.0	-74.08	415.28	11.93	-62.15
CC(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006018544	1	56	0.0	-76.29	411.95	11.78	-64.51
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C=N1	REAL300006018562	0	52	0.0	-92.35	393.20	9.60	-82.75
CCC[NH+](CCC)CCCC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018566	0	61	0.0	-80.88	437.55	11.85	-69.03
CC[N@H+](C)C(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1=CC=CC=C1	REAL300006018567	0	56	0.0	-66.42	408.56	11.85	-54.57
CC[N@@H+](C)C(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1=CC=CC=C1	REAL300006018567	1	56	0.0	-71.02	410.12	11.89	-59.13
C[N@@H+]1CCOC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006018568	1	48	0.0	-87.95	355.44	8.23	-79.72
C[N@H+]1CCOC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006018568	1	48	0.0	-81.56	348.56	8.06	-73.50
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018579	1	51	0.0	-59.40	387.28	10.69	-48.71
C[NH+](C)CC1(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006018591	0	50	0.0	-77.24	367.53	9.43	-67.81
C[NH+](C)CCCCC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018596	0	52	0.0	-84.91	387.90	10.17	-74.74
CC(C)C(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+](C)C	REAL300006018604	0	52	0.0	-68.19	361.78	9.35	-58.84
O=C([O-])C1(C2CCCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C2)CC(F)(F)C1	REAL300006018618	1	53	0.0	-85.10	400.60	10.37	-74.73
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C=C1	REAL300006018619	0	56	0.0	-97.70	420.01	11.92	-85.78
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018626	1	49	0.0	-58.19	373.32	8.51	-49.68
CCC[N@H+](C)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018633	0	49	0.0	-75.13	361.79	9.40	-65.73
CCC[N@@H+](C)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018633	1	49	0.0	-74.41	361.87	9.40	-65.01
C[N@H+](CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1CCC1	REAL300006018654	0	50	0.0	-72.16	368.73	9.97	-62.19
C[N@@H+](CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1CCC1	REAL300006018654	1	50	0.0	-72.47	368.69	9.97	-62.50
CC(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+]1CCSCC1	REAL300006018669	1	51	0.0	-74.22	370.28	9.52	-64.70
C[N@H+](CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)CC(C)(C)C	REAL300006018671	0	55	0.0	-74.91	391.27	10.45	-64.46
C[N@@H+](CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)CC(C)(C)C	REAL300006018671	1	55	0.0	-73.98	392.27	10.49	-63.49
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018673	0	56	0.0	-78.02	421.77	12.42	-65.60
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018673	1	56	0.0	-77.78	421.70	12.42	-65.36
CC[C@@H](C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+](C)C	REAL300006018676	0	49	0.0	-70.09	344.60	8.77	-61.32
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006018678	0	54	0.0	-74.96	390.02	8.45	-66.51
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006018678	1	54	0.0	-75.64	380.37	8.28	-67.36
CCCCCC[N@H+](C)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018698	0	58	0.0	-76.42	426.29	11.74	-64.68
CCCCCC[N@@H+](C)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018698	1	58	0.0	-75.63	426.36	11.75	-63.88
O=C([O-])C1(C2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC(F)(F)C1	REAL300006018709	0	51	0.0	-68.43	359.25	9.28	-59.15
O=C([O-])C1(C2CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)CC(F)(F)C1	REAL300006018717	1	45	0.0	-88.70	346.07	10.99	-77.71
C[N@H+](CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1CCSC1	REAL300006018727	0	51	0.0	-79.45	381.98	10.24	-69.21
C[N@@H+](CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1CCSC1	REAL300006018727	1	51	0.0	-81.11	381.89	10.21	-70.90
O=C([O-])C1(C2CCCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)CC(F)(F)C1	REAL300006018742	0	54	0.0	-78.65	370.44	10.34	-68.31
O=C([O-])C1(C2CCCN(C(=O)C3CCCC4CCC[N@H+]43)C2)CC(F)(F)C1	REAL300006018742	1	54	0.0	-64.11	384.56	10.60	-53.51
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C=N1	REAL300006018743	0	53	0.0	-88.28	399.64	9.04	-79.24
CCCC(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+](C)C	REAL300006018768	0	52	0.0	-71.53	367.83	9.54	-61.99
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)=N1	REAL300006018780	0	53	0.0	-81.57	403.17	9.75	-71.82
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018781	0	53	0.0	-69.51	397.91	9.18	-60.33
C[C@@H]1[C@H](C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC[N@@H+]1C	REAL300006018784	0	50	0.0	-83.42	358.02	9.46	-73.96
C[C@@H]1[C@H](C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC[N@H+]1C	REAL300006018784	1	50	0.0	-84.53	364.57	9.24	-75.29
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018786	1	54	0.0	-70.06	408.57	11.26	-58.80
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC[N@@H+]1C	REAL300006018789	0	53	0.0	-71.92	378.54	9.53	-62.39
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC[N@H+]1C	REAL300006018789	1	53	0.0	-73.03	382.07	9.99	-63.04
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)=NN1	REAL300006018791	1	54	0.0	-81.97	402.70	9.25	-72.72
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)=NN1	REAL300006018791	1	54	0.0	-79.55	394.23	8.65	-70.90
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018792	0	49	0.0	-68.33	364.12	9.59	-58.74
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018792	1	49	0.0	-48.80	370.55	10.04	-38.76
CC1C[N@H+](C)CC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)O1	REAL300006018796	1	51	0.0	-79.65	370.63	8.96	-70.69
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)O1	REAL300006018796	1	51	0.0	-88.61	376.68	8.96	-79.65
O=C([O-])C1(C2CCCN(C(=O)C[NH+]3CCCC3)C2)CC(F)(F)C1	REAL300006018802	0	47	0.0	-73.56	346.78	9.10	-64.46
CC1=[NH+]C=CN1CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018804	1	45	0.0	-72.43	350.95	9.56	-62.87
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018806	0	54	0.0	-74.45	388.24	8.39	-66.06
CC1CC[NH+](CC(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006018825	0	53	0.0	-74.64	385.20	10.48	-64.16
CC[N@@H+]1CCOC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006018836	1	51	0.0	-91.04	374.02	8.88	-82.16
CC[N@H+]1CCOC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006018836	1	51	0.0	-80.88	373.60	8.90	-71.98
O=C([O-])C1(C2CCCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C2)CC(F)(F)C1	REAL300006018866	0	60	0.0	-76.39	423.28	11.69	-64.70
O=C([O-])C1(C2CCCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C2)CC(F)(F)C1	REAL300006018866	1	60	0.0	-69.57	425.39	11.75	-57.82
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018871	0	53	0.0	-70.09	388.64	10.48	-59.61
C[N@H+]1CCCC1CCC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018871	1	53	0.0	-74.19	383.05	10.01	-64.18
O=C([O-])C1(C2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC(F)(F)C1	REAL300006018880	0	54	0.0	-93.94	366.57	9.57	-84.37
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018882	0	51	0.0	-69.08	361.06	4.99	-64.09
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018882	1	51	0.0	-72.01	358.07	4.85	-67.16
O=C([O-])C1(C2CCCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)CC(F)(F)C1	REAL300006018883	0	54	0.0	-68.67	386.37	10.73	-57.94
O=C([O-])C1(C2CCCN(C(=O)C3CCC4CCCC[N@H+]43)C2)CC(F)(F)C1	REAL300006018883	1	54	0.0	-70.85	382.10	10.46	-60.39
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018889	0	57	0.0	-65.46	393.08	8.64	-56.82
CC[NH+](CC)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006018904	0	49	0.0	-72.50	355.62	9.27	-63.23
CC(C)[NH+]1CCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006018906	0	56	0.0	-74.28	394.35	10.42	-63.86
O=C([O-])C1(C2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC(F)(F)C1	REAL300006018982	0	48	0.0	-78.63	346.74	8.25	-70.38
CCC(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+](C)C	REAL300006018985	0	49	0.0	-69.62	344.92	8.75	-60.87
O=C([O-])C1(C2CCCN(C(=O)C34CC[N@H+](C3)CCC4)C2)CC(F)(F)C1	REAL300006018993	0	51	0.0	-77.05	355.45	8.84	-68.21
O=C([O-])C1(C2CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)CC(F)(F)C1	REAL300006018993	1	51	0.0	-47.61	348.78	8.54	-39.07
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019031	0	53	0.0	-69.29	376.24	9.91	-59.38
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)=C1	REAL300006019032	0	53	0.0	-75.86	400.39	11.16	-64.70
C[NH+](C)C1(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CCC1	REAL300006019061	0	50	0.0	-79.28	343.80	8.83	-70.45
C#CC[NH+]1CCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006019082	0	52	0.0	-79.17	388.86	10.67	-68.50
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019084	0	56	0.0	-57.20	400.00	10.85	-46.35
CCC[N@H+]1CCCCC1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019084	1	56	0.0	-59.28	387.22	10.31	-48.97
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019085	0	53	0.0	-61.44	395.73	11.10	-50.34
CC[NH+]1CCN(CCC(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006019087	0	58	0.0	-77.43	420.74	8.66	-68.77
CCN1CC[NH+](CCC(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006019087	1	58	0.0	-68.58	419.84	8.64	-59.94
CC(C)[N@H+](C)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019088	0	49	0.0	-71.96	357.06	9.18	-62.78
CC(C)[N@@H+](C)CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019088	1	49	0.0	-72.58	356.99	9.19	-63.39
CC(C)C(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+]1CCCCC1	REAL300006019089	0	59	0.0	-71.39	402.07	11.16	-60.23
C[NH+](C)C(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1=CC=CC=C1	REAL300006019090	1	53	0.0	-72.91	393.95	11.23	-61.68
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019096	1	54	0.0	-69.02	408.03	11.18	-57.84
O=C([O-])C1(C2CCCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)CC(F)(F)C1	REAL300006019101	0	57	0.0	-58.59	393.54	11.33	-47.26
O=C([O-])C1(C2CCCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)CC(F)(F)C1	REAL300006019101	1	57	0.0	-69.90	401.91	11.19	-58.71
CC[N@H+](CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1CC1	REAL300006019103	0	50	0.0	-69.95	368.49	9.88	-60.07
CC[N@@H+](CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)C1CC1	REAL300006019103	1	50	0.0	-72.54	362.69	9.86	-62.68
CC(C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+]1CCCCCC1	REAL300006019118	0	56	0.0	-69.45	387.59	10.22	-59.23
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019121	0	47	0.0	-72.79	346.66	8.84	-63.95
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019121	1	47	0.0	-74.98	338.13	8.42	-66.56
CC(C)(C)[NH2+]CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019176	0	49	0.0	-73.33	361.49	7.71	-65.62
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)O1	REAL300006019177	0	56	0.0	-87.87	414.23	10.97	-76.90
O=C([O-])C1(C2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)CC(F)(F)C1	REAL300006019178	0	56	0.0	-83.71	412.26	11.24	-72.47
C[N@H+](CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)CC1=CC=CC=C1	REAL300006019180	1	53	0.0	-79.66	399.22	11.58	-68.08
C[N@@H+](CC(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)CC1=CC=CC=C1	REAL300006019180	1	53	0.0	-78.67	399.35	11.58	-67.09
CC(C)[C@@H](C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1)[NH+](C)C	REAL300006019188	0	52	0.0	-70.28	366.79	9.69	-60.59
O=C([O-])C1(C2CCCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)CC(F)(F)C1	REAL300006019206	1	48	0.0	-86.76	374.62	8.97	-77.79
C[NH+](C)CC1=CC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)=NO1	REAL300006019221	1	49	0.0	-85.33	373.12	9.11	-76.22
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019232	0	53	0.0	-69.35	377.93	9.90	-59.45
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019232	1	53	0.0	-68.10	379.54	9.81	-58.29
C[NH+]1CCC(OCC(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006019249	0	54	0.0	-90.32	402.50	10.16	-80.16
CCC[N@@H+]1CCCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006019379	0	56	0.0	-69.07	403.48	10.75	-58.32
CCC[N@H+]1CCCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006019379	1	56	0.0	-50.62	392.56	10.84	-39.78
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019399	0	56	0.0	-70.11	402.70	10.86	-59.25
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(C2(C(=O)[O-])CC(F)(F)C2)C1	REAL300006019399	1	56	0.0	-70.63	406.17	10.97	-59.66
O=C([O-])C1(C2CCCN(C(=O)C[NH+]3CCC(CO)CC3)C2)CC(F)(F)C1	REAL300006019400	0	54	0.0	-75.68	396.04	7.16	-68.52
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006019566	0	56	0.0	-73.44	397.86	10.61	-62.83
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006019566	1	56	0.0	-70.23	389.95	10.76	-59.47
C[N@@H+]1CC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C(C(F)(F)F)C1	REAL300006019567	0	50	0.0	-88.41	383.35	9.53	-78.88
C[N@H+]1CC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C(C(F)(F)F)C1	REAL300006019567	1	50	0.0	-71.92	382.38	9.50	-62.42
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)N1	REAL300006019589	1	51	0.0	-70.23	393.82	9.36	-60.87
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)=C1	REAL300006019939	0	56	0.0	-77.56	422.83	12.00	-65.56
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006020047	0	50	0.0	-73.84	371.65	9.72	-64.12
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300006020051	0	56	0.0	-75.01	391.58	10.39	-64.62
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(C4(C(=O)[O-])CC(F)(F)C4)C3)=CN12	REAL300006020054	0	48	0.0	-80.05	375.94	11.06	-68.99
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006020103	0	59	0.0	-49.88	410.18	11.59	-38.29
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006020103	1	59	0.0	-72.33	412.35	11.68	-60.65
CC[N@@H+]1CCCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006020104	0	53	0.0	-66.87	372.86	10.23	-56.64
CC[N@H+]1CCCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006020104	1	53	0.0	-65.78	375.44	10.20	-55.58
C[N@@H+]1CCCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006020109	0	50	0.0	-67.09	355.76	9.57	-57.52
C[N@H+]1CCCC(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006020109	1	50	0.0	-74.31	356.28	9.38	-64.93
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)O1	REAL300006020111	1	50	0.0	-90.86	379.55	9.61	-81.25
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006020117	0	59	0.0	-82.10	405.44	10.46	-71.64
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C1	REAL300006020117	1	59	0.0	-87.35	404.97	10.51	-76.84
O=C([O-])C1(C2CCCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)CC(F)(F)C1	REAL300006020120	0	52	0.0	-67.27	374.26	10.22	-57.05
O=C([O-])C1(C2CCCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)CC(F)(F)C1	REAL300006020120	1	52	0.0	-77.96	368.68	10.65	-67.31
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O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006027626	0	48	0.0	-85.63	360.29	11.73	-73.90
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006027626	1	48	0.0	-66.66	361.01	11.82	-54.84
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006027628	0	49	0.0	-78.20	373.80	9.63	-68.57
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006027649	0	48	0.0	-74.94	346.50	10.55	-64.39
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006027649	1	48	0.0	-76.34	348.90	10.69	-65.65
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=C2)CC1	REAL300006027664	0	50	0.0	-91.37	376.99	9.32	-82.05
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006027665	0	50	0.0	-92.46	376.55	9.36	-83.10
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006027665	1	50	0.0	-96.51	376.08	9.24	-87.27
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006027666	0	51	0.0	-91.98	382.13	11.06	-80.92
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006027708	0	52	0.0	-99.04	391.23	9.09	-89.95
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006027710	0	48	0.0	-71.75	360.41	11.73	-60.02
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006027710	1	48	0.0	-68.00	354.79	11.86	-56.14
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C1N2	REAL300006027785	1	46	0.0	-91.11	353.23	10.31	-80.80
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C1N2	REAL300006027785	1	46	0.0	-91.06	353.02	10.35	-80.71
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300006027822	0	44	0.0	-88.82	340.11	10.12	-78.70
CC1=CC=C(N2CCC(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300006027824	1	47	0.0	-82.95	353.07	9.47	-73.48
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006027827	0	53	0.0	-98.03	381.53	10.06	-87.97
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300006027857	0	48	0.0	-74.47	363.85	11.88	-62.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300006027857	1	48	0.0	-84.54	363.35	11.61	-72.93
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006027872	0	49	0.0	-95.42	384.76	11.33	-84.09
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006027883	0	45	0.0	-89.86	344.06	10.49	-79.37
C[N@@H+]1CC(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006028107	0	38	0.0	-74.21	287.58	8.27	-65.94
C[N@H+]1CC(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006028107	1	38	0.0	-80.64	296.55	8.00	-72.64
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300006028369	0	44	0.0	-86.34	339.18	10.78	-75.56
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006028372	0	45	0.0	-94.08	347.74	9.72	-84.36
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006028429	0	51	0.0	-79.36	383.33	12.69	-66.67
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300006028431	1	49	0.0	-99.04	371.98	10.10	-88.94
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300006028431	1	49	0.0	-99.03	372.47	10.11	-88.92
O=C([O-])C[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300006029741	0	50	0.0	-67.45	381.41	10.49	-56.96
O=C([O-])C[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300006030515	0	47	0.0	-53.88	365.54	9.97	-43.91
O=C([O-])C[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300006030515	1	47	0.0	-51.84	352.96	9.16	-42.68
O=C([O-])C[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C1CC1	REAL300006031223	1	47	0.0	-57.32	382.28	10.49	-46.83
O=C([O-])C[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C1CC1	REAL300006031223	1	47	0.0	-54.46	369.83	9.67	-44.79
O=C([O-])C[C@H](NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1CC1	REAL300006031294	0	50	0.0	-58.24	375.27	11.17	-47.07
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H](CC(=O)[O-])C3CC3)CC2)=CS1	REAL300006031355	1	49	0.0	-63.78	388.81	8.25	-55.53
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300006031412	0	53	0.0	-70.45	414.34	10.00	-60.45
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300006031425	0	53	0.0	-72.17	415.13	12.34	-59.83
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300006031425	1	53	0.0	-71.25	415.05	12.34	-58.91
CC1(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006031426	0	53	0.0	-51.06	394.57	10.79	-40.27
O=C([O-])C[C@H](NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300006031464	0	50	0.0	-62.49	396.37	10.54	-51.95
O=C([O-])C[C@H](NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300006031464	1	50	0.0	-62.85	396.76	10.69	-52.16
O=C([O-])C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C1CC1	REAL300006031518	1	50	0.0	-50.21	373.80	10.21	-40.00
O=C([O-])C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C1CC1	REAL300006031518	1	50	0.0	-47.48	385.32	10.46	-37.02
O=C([O-])C[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C1CC1	REAL300006031519	1	47	0.0	-58.27	371.96	10.03	-48.24
O=C([O-])C[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C1CC1	REAL300006031519	1	47	0.0	-55.19	359.51	9.22	-45.97
O=C([O-])C[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CC1	REAL300006031567	0	43	0.0	-70.07	349.42	7.90	-62.17
C[NH+](C)CCN1N=CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C1=CC=CC=C1	REAL300006031572	0	53	0.0	-73.47	413.52	10.00	-63.47
O=C([O-])C[C@H](NC(=O)C1CCCC[N@@H+]1C1CCCC1)C1CC1	REAL300006031596	0	50	0.0	-49.94	352.04	9.11	-40.83
O=C([O-])C[C@H](NC(=O)C1CCCC[N@H+]1C1CCCC1)C1CC1	REAL300006031596	1	50	0.0	-50.02	351.20	9.13	-40.89
O=C([O-])C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1CC1	REAL300006031597	0	51	0.0	-47.47	364.50	7.35	-40.12
CC[N@H+](CC1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1)C(C)C	REAL300006031619	0	52	0.0	-69.54	383.39	10.19	-59.35
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1)C(C)C	REAL300006031619	1	52	0.0	-69.80	377.73	9.93	-59.87
O=C([O-])C[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300006031640	0	47	0.0	-59.11	363.37	9.63	-49.48
O=C([O-])C[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300006031640	1	47	0.0	-59.67	365.02	9.76	-49.91
O=C([O-])C[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C1CC1	REAL300006031641	0	48	0.0	-63.20	360.09	8.89	-54.31
C[NH+]1CCN(C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC=C2)CC1	REAL300006031662	1	52	0.0	-64.03	393.68	8.55	-55.48
O=C([O-])C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1CC1	REAL300006031663	0	51	0.0	-59.03	353.19	6.92	-52.11
CC(C(=O)N[C@@H](CC(=O)[O-])C1CC1)[N@H+](C)CC1=CC=CC=C1	REAL300006031666	0	46	0.0	-54.34	353.39	9.19	-45.15
CC(C(=O)N[C@@H](CC(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300006031666	1	46	0.0	-48.72	355.02	9.23	-39.49
O=C([O-])C[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CC1	REAL300006031673	0	53	0.0	-61.42	403.91	11.32	-50.10
O=C([O-])C[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CC1	REAL300006031673	1	53	0.0	-56.63	396.31	11.46	-45.17
O=C([O-])C[C@H](NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C1CC1	REAL300006031710	1	51	0.0	-53.53	386.34	7.11	-46.42
CC[N@H+](C)C(C(=O)N[C@@H](CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300006031711	0	46	0.0	-45.71	344.20	9.07	-36.64
CC[N@@H+](C)C(C(=O)N[C@@H](CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300006031711	1	46	0.0	-44.55	353.65	9.36	-35.19
CC[NH+](CC)C(C(=O)N[C@@H](CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300006031716	0	49	0.0	-54.39	349.59	9.16	-45.23
C[NH+](C)C(C(=O)N[C@@H](CC(=O)[O-])C1CC1)C1=CC=C(Cl)C=C1	REAL300006031719	1	43	0.0	-48.84	351.63	9.25	-39.59
O=C([O-])C[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CC1	REAL300006031733	0	47	0.0	-72.66	362.34	9.82	-62.84
O=C([O-])C[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CC1	REAL300006031739	0	50	0.0	-68.13	379.98	10.59	-57.54
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CC(=O)[O-])C3CC3)CC2)CC1	REAL300006031745	0	58	0.0	-64.08	411.19	7.97	-56.11
CC1C[NH+](CC2=CC=C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)CC(C)O1	REAL300006031751	1	54	0.0	-75.37	413.30	9.63	-65.74
O=C([O-])C[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300006031762	1	51	0.0	-66.21	394.53	9.72	-56.49
O=C([O-])C[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300006031762	1	51	0.0	-69.93	394.59	9.70	-60.23
O=C([O-])C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300006031777	0	50	0.0	-47.34	367.37	10.14	-37.20
O=C([O-])C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300006031777	1	50	0.0	-52.24	367.65	10.17	-42.07
CC1=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C=NN1C1=CC=[NH+]C=C1	REAL300006031779	1	41	0.0	-73.80	332.92	7.61	-66.19
O=C([O-])C[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300006031787	0	50	0.0	-72.85	379.67	10.55	-62.30
O=C([O-])C[C@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1CC1	REAL300006031798	1	43	0.0	-72.67	343.67	7.33	-65.34
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300006031799	0	46	0.0	-77.02	360.90	9.59	-67.43
O=C([O-])C[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300006031806	1	48	0.0	-45.95	367.26	9.01	-36.94
O=C([O-])C[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300006031806	1	48	0.0	-56.07	374.39	9.17	-46.90
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006031810	0	57	0.0	-61.88	424.45	11.96	-49.92
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006031810	1	57	0.0	-60.69	421.13	11.99	-48.70
CC(C(=O)N[C@@H](CC(=O)[O-])C1CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006031818	0	56	0.0	-53.39	416.51	11.63	-41.76
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006031850	0	46	0.0	-55.10	359.41	9.70	-45.40
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006031850	1	46	0.0	-55.45	359.40	9.69	-45.76
COCCOCC[N@H+](C)CCC(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006031851	0	50	0.0	-57.87	388.43	5.87	-52.00
COCCOCC[N@@H+](C)CCC(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006031851	1	50	0.0	-60.97	388.42	5.87	-55.10
O=C([O-])C[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300006031860	0	55	0.0	-65.11	414.57	9.39	-55.72
O=C([O-])C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C1CC1	REAL300006031861	1	49	0.0	-50.63	362.42	8.40	-42.23
O=C([O-])C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C1CC1	REAL300006031861	1	49	0.0	-56.28	362.69	8.45	-47.83
O=C([O-])C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C1CC1	REAL300006031862	1	49	0.0	-53.74	371.54	8.45	-45.29
O=C([O-])C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C1CC1	REAL300006031862	1	49	0.0	-46.17	373.73	8.54	-37.63
CC(C)[NH+]1CCN(CCC(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300006031889	0	51	0.0	-63.69	375.62	6.43	-57.26
CC(C)N1CC[NH+](CCC(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300006031889	1	51	0.0	-57.09	372.43	6.26	-50.83
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CC(C)C[C@@H](CC(=O)[O-])NC(=O)C[NH+]1CCC(CO)CC1	REAL300006037561	0	49	0.0	-53.42	364.09	5.19	-48.23
CC(C)C[C@@H](CC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300006037646	0	56	0.0	-56.72	416.09	11.46	-45.26
CC(C)C[C@@H](CC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300006037646	1	56	0.0	-72.79	421.27	11.37	-61.42
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300006037678	1	55	0.0	-63.78	416.81	10.89	-52.89
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300006037678	1	55	0.0	-69.94	408.14	10.71	-59.23
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300006037761	0	45	0.0	-66.40	332.26	7.71	-58.69
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300006037761	1	45	0.0	-70.74	355.65	7.43	-63.31
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300006038194	0	51	0.0	-72.32	390.40	10.19	-62.13
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300006038200	0	52	0.0	-78.34	398.42	9.35	-68.99
CC(C)C[C@@H](CC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006038279	0	58	0.0	-70.72	431.69	11.56	-59.16
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300006038281	1	56	0.0	-84.19	417.12	9.32	-74.87
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300006038281	1	56	0.0	-76.19	415.63	9.56	-66.63
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300006038365	0	54	0.0	-46.70	381.16	10.00	-36.70
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300006038365	1	54	0.0	-46.70	381.16	10.00	-36.70
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300006038373	0	54	0.0	-75.15	382.11	8.79	-66.36
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300006038373	1	54	0.0	-75.15	382.11	8.79	-66.36
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NC=CC(C(F)(F)F)=N2)C1	REAL300006038460	0	44	0.0	-53.97	361.93	6.37	-47.60
O=C([O-])C1=CN(CC2CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CCO2)N=N1	REAL300006039746	0	54	0.0	-79.37	419.66	7.88	-71.49
O=C([O-])C1=CN(CC2CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CCO2)N=N1	REAL300006039746	1	54	0.0	-79.09	420.97	7.74	-71.35
O=C([O-])C1=CN(CC2CN(C(=O)C3CC[NH+](C4CC4)CC3)CCO2)N=N1	REAL300006040400	0	51	0.0	-83.15	393.39	6.41	-76.74
O=C([O-])C1=CN(CC2CN(C(=O)C3CCC[N@@H+]3C3CC3)CCO2)N=N1	REAL300006040424	0	48	0.0	-76.82	375.67	5.60	-71.22
O=C([O-])C1=CN(CC2CN(C(=O)C3CCC[N@H+]3C3CC3)CCO2)N=N1	REAL300006040424	1	48	0.0	-77.25	370.18	5.58	-71.67
CC1=[NH+]C=C2CCC(C(=O)N3CCOC(CN4C=C(C(=O)[O-])N=N4)C3)CN21	REAL300006040430	1	49	0.0	-78.12	389.93	6.31	-71.81
C[N@@H+]1CCCCC1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040497	0	47	0.0	-77.93	352.35	4.81	-73.12
C[N@H+]1CCCCC1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040497	1	47	0.0	-75.80	362.51	5.27	-70.53
CC(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)N1CC[NH+](C)CC1	REAL300006040498	1	52	0.0	-81.67	391.74	3.16	-78.51
C[N@@H+]1CCCC[C@H]1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040533	0	47	0.0	-75.31	364.39	5.17	-70.14
C[N@H+]1CCCC[C@H]1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040533	1	47	0.0	-78.29	353.80	4.74	-73.55
C[NH+]1CCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006040597	0	47	0.0	-85.99	368.55	5.20	-80.79
O=C([O-])C1=CN(CC2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CCO2)N=N1	REAL300006040627	0	42	0.0	-82.11	353.77	6.80	-75.31
C[NH+](C)CC1(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CCCCC1	REAL300006040656	0	56	0.0	-77.11	397.99	6.45	-70.66
C[N@H+](CCC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1CCCCC1	REAL300006040661	0	56	0.0	-83.28	422.91	7.28	-76.00
C[N@@H+](CCC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1CCCCC1	REAL300006040661	1	56	0.0	-83.66	422.91	7.27	-76.39
C[N@@H+]1CCCC1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040675	0	44	0.0	-81.02	348.14	4.63	-76.39
C[N@H+]1CCCC1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040675	1	44	0.0	-81.21	341.73	4.31	-76.90
C[NH+]1CCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006040726	0	47	0.0	-85.99	368.55	5.20	-80.79
O=C([O-])C1=CN(CC2CN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CCO2)N=N1	REAL300006040740	0	57	0.0	-76.18	411.97	7.33	-68.85
O=C([O-])C1=CN(CC2CN(C(=O)C3CCCC[N@H+]3C3CCCC3)CCO2)N=N1	REAL300006040740	1	57	0.0	-76.40	412.46	7.37	-69.03
CC1=[NH+]C=CN1CCCC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040771	1	48	0.0	-79.27	395.44	6.58	-72.69
O=C([O-])C1=CN(CC2CN(C(=O)CCCC[NH+]3CCOCC3)CCO2)N=N1	REAL300006040772	1	54	0.0	-85.28	422.73	5.26	-80.02
C[C@@H](C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300006040778	0	43	0.0	-79.80	339.92	4.15	-75.65
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040779	0	44	0.0	-77.76	341.48	4.29	-73.47
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040779	1	44	0.0	-77.91	345.97	4.60	-73.31
C[C@H](C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300006040783	0	43	0.0	-78.25	338.47	4.06	-74.19
C[NH+](C)C1(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006040791	0	44	0.0	-82.92	345.49	4.24	-78.68
O=C([O-])C1=CN(CC2CN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CCO2)N=N1	REAL300006040832	0	54	0.0	-83.87	423.53	7.86	-76.01
O=C([O-])C1=CN(CC2CN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CCO2)N=N1	REAL300006040832	1	54	0.0	-83.33	428.15	8.06	-75.27
CCC(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+](CC)CC	REAL300006040856	0	52	0.0	-74.64	384.76	5.81	-68.83
CC(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300006040858	0	53	0.0	-80.97	417.55	7.57	-73.40
CC(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006040858	1	53	0.0	-79.09	417.41	7.57	-71.52
C[NH+](C)CC1=CC=C(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C=N1	REAL300006040877	0	49	0.0	-86.81	396.36	5.20	-81.61
CCC[NH+](CCC)CCCC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040882	0	58	0.0	-82.26	447.05	7.90	-74.36
CC[N@H+](C)C(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300006040883	0	53	0.0	-74.84	411.98	7.55	-67.29
CC[N@@H+](C)C(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300006040883	1	53	0.0	-74.27	410.48	7.51	-66.76
C[N@@H+]1CCOC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006040884	1	45	0.0	-98.17	356.83	4.02	-94.15
C[N@H+]1CCOC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006040884	1	45	0.0	-78.60	349.23	3.83	-74.77
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040895	1	48	0.0	-76.07	390.15	6.36	-69.71
O=C([O-])C1=CN(CC2CN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CCO2)N=N1	REAL300006040903	0	54	0.0	-88.83	425.25	7.91	-80.92
C[NH+](C)CC1(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006040911	0	47	0.0	-84.26	372.82	5.20	-79.06
C[NH+](C)CCCCC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040917	0	49	0.0	-83.55	389.82	5.82	-77.73
CC(C)C(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300006040925	0	49	0.0	-81.14	365.09	5.06	-76.08
CC1=C(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300006040933	1	48	0.0	-87.87	395.37	5.29	-82.58
O=C([O-])C1=CN(CC2CN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)CCO2)N=N1	REAL300006040945	1	50	0.0	-87.38	405.91	6.09	-81.29
C[NH+](C)CCC1=CC=C(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C=C1	REAL300006040946	0	53	0.0	-90.62	423.10	7.61	-83.01
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040955	1	46	0.0	-74.49	374.92	4.36	-70.13
CCC[N@H+](C)CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040962	0	46	0.0	-81.23	363.73	5.04	-76.19
CCC[N@@H+](C)CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006040962	1	46	0.0	-81.12	363.72	5.03	-76.09
C[N@H+](CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1CCC1	REAL300006040983	0	47	0.0	-79.33	370.63	5.59	-73.74
C[N@@H+](CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1CCC1	REAL300006040983	1	47	0.0	-78.93	370.61	5.60	-73.33
CC(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCSCC1	REAL300006041002	1	48	0.0	-82.91	373.99	5.30	-77.61
C[N@H+](CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)CC(C)(C)C	REAL300006041004	0	52	0.0	-81.06	392.33	6.03	-75.03
C[N@@H+](CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)CC(C)(C)C	REAL300006041004	1	52	0.0	-80.51	394.23	6.17	-74.34
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041006	0	53	0.0	-84.92	423.60	8.06	-76.86
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041006	1	53	0.0	-85.09	423.63	8.05	-77.04
COCCOCC[N@H+](C)CCC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041007	0	57	0.0	-83.09	452.62	4.31	-78.78
COCCOCC[N@@H+](C)CCC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041007	1	57	0.0	-84.80	452.64	4.33	-80.47
CC[C@@H](C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300006041010	0	46	0.0	-78.32	355.33	4.68	-73.64
C[N@@H+]1CCCC(O)(CC(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006041012	0	51	0.0	-78.79	385.14	3.84	-74.95
C[N@H+]1CCCC(O)(CC(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006041012	1	51	0.0	-81.46	382.23	3.92	-77.54
CCCCCC[N@H+](C)CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041032	0	55	0.0	-82.37	428.18	7.37	-75.00
CCCCCC[N@@H+](C)CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041032	1	55	0.0	-82.22	428.19	7.38	-74.84
O=C([O-])C1=CN(CC2CN(C(=O)C34CCC[NH+]3CCC4)CCO2)N=N1	REAL300006041043	0	48	0.0	-75.40	361.36	4.94	-70.46
O=C([O-])C1=CN(CC2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CCO2)N=N1	REAL300006041051	1	42	0.0	-86.83	354.00	6.81	-80.02
C[N@H+](CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1CCSC1	REAL300006041061	0	48	0.0	-86.44	383.83	5.87	-80.57
C[N@@H+](CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1CCSC1	REAL300006041061	1	48	0.0	-86.39	383.83	5.85	-80.54
CC(C)[NH+]1CCN(CCC(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006041077	0	58	0.0	-81.11	439.81	4.85	-76.26
CC(C)N1CC[NH+](CCC(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006041077	1	58	0.0	-83.43	436.34	4.66	-78.77
O=C([O-])C1=CN(CC2CN(C(=O)C3CCCC4CCC[N@@H+]43)CCO2)N=N1	REAL300006041078	0	51	0.0	-76.27	377.77	5.73	-70.54
O=C([O-])C1=CN(CC2CN(C(=O)C3CCCC4CCC[N@H+]43)CCO2)N=N1	REAL300006041078	1	51	0.0	-80.87	375.63	6.07	-74.80
C[NH+](C)CCN1C=C(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C=N1	REAL300006041079	0	50	0.0	-88.64	405.43	4.78	-83.86
CC(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006041092	1	54	0.0	-81.25	416.75	8.07	-73.18
CC(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006041092	1	54	0.0	-81.51	420.80	8.02	-73.49
CCCC(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300006041109	0	49	0.0	-79.71	374.46	5.34	-74.37
C[NH+](C)CCN1C=CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)=N1	REAL300006041123	0	50	0.0	-96.30	404.87	5.60	-90.70
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041124	0	50	0.0	-75.82	400.87	4.83	-70.99
C[C@@H]1[C@H](C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC[N@@H+]1C	REAL300006041127	0	47	0.0	-85.70	358.94	4.74	-80.96
C[C@@H]1[C@H](C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC[N@H+]1C	REAL300006041127	1	47	0.0	-84.36	365.18	5.00	-79.36
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041129	1	51	0.0	-76.16	410.41	6.90	-69.26
CC[C@@H]1[C@@H](C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC[N@@H+]1C	REAL300006041132	0	50	0.0	-83.73	376.79	5.29	-78.44
CC[C@@H]1[C@@H](C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC[N@H+]1C	REAL300006041132	1	50	0.0	-83.41	381.52	5.62	-77.79
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)=NN1	REAL300006041134	1	51	0.0	-87.40	400.20	4.76	-82.64
C[N@H+]1CCCC1C1=CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)=NN1	REAL300006041134	1	51	0.0	-87.33	398.76	4.59	-82.74
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041135	1	46	0.0	-76.84	369.60	5.39	-71.45
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041135	1	46	0.0	-77.57	373.23	5.74	-71.83
CC1C[N@H+](C)CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)O1	REAL300006041141	1	48	0.0	-93.49	371.31	4.18	-89.31
CC1C[N@@H+](C)CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)O1	REAL300006041141	1	48	0.0	-91.66	371.79	4.59	-87.07
O=C([O-])C1=CN(CC2CN(C(=O)C[NH+]3CCCC3)CCO2)N=N1	REAL300006041147	0	44	0.0	-80.20	348.63	4.73	-75.47
CC1=[NH+]C=CN1CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041149	1	42	0.0	-77.95	352.85	5.20	-72.75
CC(C[NH+]1CCOCC1)C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041151	0	51	0.0	-83.48	393.52	4.14	-79.34
CC1CC[NH+](CC(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006041170	0	50	0.0	-81.27	387.03	6.11	-75.16
CC[N@@H+]1CCOC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006041181	1	48	0.0	-85.33	366.78	4.47	-80.86
CC[N@H+]1CCOC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006041181	1	48	0.0	-85.48	376.03	4.57	-80.91
O=C([O-])C1=CN(CC2CN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)CCO2)N=N1	REAL300006041214	0	57	0.0	-82.53	426.02	7.55	-74.98
O=C([O-])C1=CN(CC2CN(C(=O)C3CC[N@H+](C4CCCCC4)C3)CCO2)N=N1	REAL300006041214	1	57	0.0	-82.47	427.97	7.42	-75.05
C[N@@H+]1CCCC1CCC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041219	0	50	0.0	-83.02	391.88	6.17	-76.85
C[N@H+]1CCCC1CCC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041219	1	50	0.0	-81.45	385.02	5.82	-75.63
O=C([O-])C1=CN(CC2CN(C(=O)C34CCC[NH+](CCC3)C4)CCO2)N=N1	REAL300006041231	0	51	0.0	-84.06	371.38	5.46	-78.60
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041233	0	48	0.0	-80.28	364.00	1.17	-79.11
C[N@H+]1CC(O)CC1(C)C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041233	1	48	0.0	-78.24	367.13	1.14	-77.10
O=C([O-])C1=CN(CC2CN(C(=O)C3CCC4CCCC[N@@H+]43)CCO2)N=N1	REAL300006041234	0	51	0.0	-75.54	387.24	6.51	-69.03
O=C([O-])C1=CN(CC2CN(C(=O)C3CCC4CCCC[N@H+]43)CCO2)N=N1	REAL300006041234	1	51	0.0	-76.15	382.64	6.26	-69.89
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041241	0	54	0.0	-79.41	395.85	4.26	-75.15
CC[NH+](CC)CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041256	0	46	0.0	-79.28	355.78	4.70	-74.58
CC(C)[NH+]1CCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006041258	0	53	0.0	-81.63	401.36	6.52	-75.11
O=C([O-])C1=CN(CC2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)N=N1	REAL300006041335	0	45	0.0	-83.01	348.62	3.90	-79.11
CCC(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300006041338	0	46	0.0	-78.71	352.95	4.57	-74.14
O=C([O-])C1=CN(CC2CN(C(=O)C34CC[N@H+](C3)CCC4)CCO2)N=N1	REAL300006041346	0	48	0.0	-81.83	356.95	4.61	-77.22
O=C([O-])C1=CN(CC2CN(C(=O)C34CC[N@@H+](C3)CCC4)CCO2)N=N1	REAL300006041346	1	48	0.0	-82.33	357.89	4.47	-77.86
CC1CCC(C)[NH+]1CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041390	0	50	0.0	-76.75	381.44	5.51	-71.24
C[NH+](C)CC1=CC=CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)=C1	REAL300006041391	0	50	0.0	-83.56	400.45	6.92	-76.64
C[NH+](C)C1(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CCC1	REAL300006041424	0	47	0.0	-79.37	348.43	4.80	-74.57
C#CC[NH+]1CCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006041447	0	49	0.0	-85.70	391.71	6.48	-79.22
CCC[N@@H+]1CCCCC1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041449	0	53	0.0	-77.12	402.99	6.72	-70.40
CCC[N@H+]1CCCCC1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041449	1	53	0.0	-77.37	392.99	6.14	-71.23
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041450	0	50	0.0	-79.31	398.22	6.98	-72.33
CC[NH+]1CCN(CCC(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006041452	0	55	0.0	-82.60	422.56	4.30	-78.30
CCN1CC[NH+](CCC(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006041452	1	55	0.0	-83.46	423.07	4.35	-79.11
CC(C)[N@H+](C)CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041453	0	46	0.0	-78.81	358.92	4.81	-74.00
CC(C)[N@@H+](C)CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041453	1	46	0.0	-78.36	358.91	4.82	-73.54
CC(C)C(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCCCC1	REAL300006041454	0	56	0.0	-74.70	402.15	7.02	-67.68
C[NH+](C)C(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300006041455	1	50	0.0	-79.27	396.18	6.91	-72.36
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041462	1	51	0.0	-75.46	409.91	6.84	-68.62
O=C([O-])C1=CN(CC2CN(C(=O)C3CCC[N@@H+]3C3CCCC3)CCO2)N=N1	REAL300006041468	0	54	0.0	-79.85	398.25	7.14	-72.71
O=C([O-])C1=CN(CC2CN(C(=O)C3CCC[N@H+]3C3CCCC3)CCO2)N=N1	REAL300006041468	1	54	0.0	-77.77	393.52	7.07	-70.70
CC[N@H+](CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1CC1	REAL300006041470	0	47	0.0	-77.40	373.06	5.65	-71.75
CC[N@@H+](CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)C1CC1	REAL300006041470	1	47	0.0	-78.32	370.92	5.64	-72.68
CC(C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCCCCC1	REAL300006041491	0	53	0.0	-76.47	389.54	6.00	-70.47
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041494	0	44	0.0	-79.95	348.12	4.66	-75.29
C[N@H+]1CCC[C@H]1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041494	1	44	0.0	-78.29	343.14	4.16	-74.13
CC(C)(C)[NH2+]CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041557	0	46	0.0	-80.07	363.45	3.34	-76.73
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)O1	REAL300006041558	0	53	0.0	-89.49	415.99	6.73	-82.76
O=C([O-])C1=CN(CC2CN(C(=O)CCCC[NH+]3CCCC3)CCO2)N=N1	REAL300006041559	0	53	0.0	-82.10	415.79	6.99	-75.11
C[N@H+](CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)CC1=CC=CC=C1	REAL300006041561	1	50	0.0	-85.48	401.15	7.21	-78.27
C[N@@H+](CC(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)CC1=CC=CC=C1	REAL300006041561	1	50	0.0	-85.19	401.11	7.21	-77.98
CC(C)[C@@H](C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300006041569	0	49	0.0	-81.24	363.16	5.28	-75.96
O=C([O-])C1=CN(CC2CN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CCO2)N=N1	REAL300006041587	1	45	0.0	-87.57	380.42	4.71	-82.86
C[NH+](C)CC1=CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)=NO1	REAL300006041605	1	46	0.0	-88.87	379.41	4.90	-83.97
CC(C)[N@@H+]1CCCC1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041618	0	50	0.0	-76.87	370.94	5.98	-70.89
CC(C)[N@H+]1CCCC1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041618	1	50	0.0	-78.52	372.97	5.96	-72.56
C[NH+]1CCC(OCC(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006041637	0	51	0.0	-87.39	404.42	5.80	-81.59
CCC[N@@H+]1CCCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006041781	0	53	0.0	-75.09	398.47	6.67	-68.42
CCC[N@H+]1CCCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006041781	1	53	0.0	-76.67	398.46	6.67	-70.00
CC(C)C[N@@H+]1CCCC1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041804	0	53	0.0	-77.14	404.61	6.52	-70.62
CC(C)C[N@H+]1CCCC1C(=O)N1CCOC(CN2C=C(C(=O)[O-])N=N2)C1	REAL300006041804	1	53	0.0	-76.97	403.32	6.65	-70.32
O=C([O-])C1=CN(CC2CN(C(=O)C[NH+]3CCC(CO)CC3)CCO2)N=N1	REAL300006041805	0	51	0.0	-82.48	397.91	2.79	-79.69
CC(C)[N@@H+]1CCCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006041989	0	53	0.0	-81.09	402.89	6.34	-74.75
CC(C)[N@H+]1CCCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006041989	1	53	0.0	-78.24	402.13	6.28	-71.96
C[N@@H+]1CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C(C(F)(F)F)C1	REAL300006041990	0	47	0.0	-93.37	384.91	5.18	-88.19
C[N@H+]1CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C(C(F)(F)F)C1	REAL300006041990	1	47	0.0	-93.28	372.31	5.64	-87.64
CC1=C(C)[NH+]=C(CCC(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)N1	REAL300006042013	1	48	0.0	-76.39	395.64	5.01	-71.38
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)=C1	REAL300006042402	0	53	0.0	-84.15	422.93	7.75	-76.40
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006042525	0	47	0.0	-80.20	373.47	5.34	-74.86
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300006042529	0	53	0.0	-80.79	393.05	6.09	-74.70
CC1=[NH+]C=C2C=CC(C(=O)N3CCOC(CN4C=C(C(=O)[O-])N=N4)C3)=CN21	REAL300006042532	0	45	0.0	-76.49	380.28	6.75	-69.74
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006042584	0	56	0.0	-78.50	411.80	7.43	-71.07
CC(C)C[N@H+]1CCCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006042584	1	56	0.0	-81.17	423.67	7.39	-73.78
CC[N@@H+]1CCCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006042585	0	50	0.0	-75.35	377.07	5.71	-69.64
CC[N@H+]1CCCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006042585	1	50	0.0	-81.47	386.09	5.82	-75.65
C[N@@H+]1CCCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006042590	0	47	0.0	-83.89	368.60	5.17	-78.72
C[N@H+]1CCCC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006042590	1	47	0.0	-76.29	357.98	5.19	-71.10
C[NH+](C)CC1=CC=C(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)O1	REAL300006042592	1	47	0.0	-92.07	384.76	5.65	-86.42
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006042598	0	56	0.0	-85.82	408.34	6.15	-79.67
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C1	REAL300006042598	1	56	0.0	-90.33	408.22	6.14	-84.19
O=C([O-])C1=CN(CC2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CCO2)N=N1	REAL300006042601	1	49	0.0	-76.17	376.56	6.60	-69.57
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2)CCC[N@H+]1C	REAL300006042631	1	50	0.0	-83.01	379.46	7.59	-75.42
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CCC[N@H+]1C	REAL300006042632	1	54	0.0	-91.25	410.53	7.87	-83.38
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=CC(C(=O)[O-])=C2)CCC[N@H+]1C	REAL300006042633	1	50	0.0	-94.31	379.46	7.59	-86.72
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=C(C(=O)[O-])S2)CCC[N@H+]1C	REAL300006042634	1	47	0.0	-75.54	373.29	6.74	-68.80
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=CC(C(=O)[O-])=N2)CCC[N@H+]1C	REAL300006042635	1	49	0.0	-69.11	377.53	5.85	-63.26
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CCC[N@H+]1C	REAL300006042636	1	56	0.0	-86.95	425.02	9.07	-77.88
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=NC(C(=O)[O-])=C2)CCC[N@H+]1C	REAL300006042637	1	49	0.0	-96.35	375.54	5.82	-90.53
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CCC[N@H+]1C	REAL300006042638	1	54	0.0	-86.86	413.96	8.77	-78.09
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=C(C(=O)[O-])O2)CCC[N@H+]1C	REAL300006042639	1	47	0.0	-70.42	365.42	5.97	-64.45
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=CC=CC=C2C(=O)[O-])CCC[N@H+]1C	REAL300006042640	1	56	0.0	-78.83	417.00	8.81	-70.02
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)CCC[N@H+]1C	REAL300006042641	1	53	0.0	-93.80	403.63	8.25	-85.55
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C[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2C2=CC=NN2C)O[C@H]1C(=O)[O-]	REAL300006042801	1	57	0.0	-83.31	411.00	8.71	-74.60
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CC(C)C[C@H](CC(=O)[O-])NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006045080	1	52	0.0	-65.10	390.08	9.77	-55.33
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300006045882	1	52	0.0	-65.92	406.78	10.30	-55.62
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CC(C)C[C@H](CC(=O)[O-])NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300006046219	1	54	0.0	-71.68	390.32	9.23	-62.45
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006046243	1	55	0.0	-58.36	402.81	11.11	-47.25
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C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-]	REAL300006052672	0	43	0.0	-58.28	345.36	8.59	-49.69
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]	REAL300006052672	1	43	0.0	-49.88	347.05	8.10	-41.78
CC[NH+]1CCN(CCC(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])CC1	REAL300006052674	0	48	0.0	-74.90	372.16	5.30	-69.60
CC(C)C(C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-])[NH+]1CCCCC1	REAL300006052676	0	49	0.0	-53.63	359.11	9.13	-44.50
CC(C)C(C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-])[NH+]1CCCCC1	REAL300006052676	1	49	0.0	-63.05	365.36	8.19	-54.86
C[NH+](C)C(C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-])C1=CC=CC=C1	REAL300006052677	1	43	0.0	-54.00	349.36	8.30	-45.70
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006052681	0	48	0.0	-63.93	387.69	6.23	-57.70
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006052681	1	48	0.0	-66.00	388.02	6.29	-59.71
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006052681	1	48	0.0	-66.01	389.76	5.82	-60.19
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006052681	1	48	0.0	-64.13	389.17	5.76	-58.37
C[NH+](C)CC1=C(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])OC2=CC=CC=C21	REAL300006052688	0	46	0.0	-58.34	373.73	8.70	-49.64
C[NH+](C)CC1=C(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])OC2=CC=CC=C21	REAL300006052688	1	46	0.0	-55.54	375.23	8.18	-47.36
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006052693	0	47	0.0	-59.67	357.67	8.34	-51.33
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006052693	1	47	0.0	-59.06	360.37	8.26	-50.80
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006052693	1	47	0.0	-57.09	347.74	7.42	-49.67
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006052693	1	47	0.0	-57.80	346.51	7.17	-50.63
CC(C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006052723	0	46	0.0	-56.17	343.73	7.26	-48.91
CC(C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006052723	1	46	0.0	-58.54	345.26	6.74	-51.80
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])O1	REAL300006052817	0	46	0.0	-80.41	370.31	7.78	-72.63
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])O1	REAL300006052817	1	46	0.0	-80.38	376.32	7.53	-72.85
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)CCCC[NH+]1CCCC1	REAL300006052818	0	46	0.0	-74.75	366.03	8.11	-66.64
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)CCCC[NH+]1CCCC1	REAL300006052818	1	46	0.0	-74.37	367.54	7.59	-66.78
C[N@H+](CC(=O)N[C@H](CC1=CNC=N1)C(=O)[O-])CC1=CC=CC=C1	REAL300006052821	1	43	0.0	-62.51	351.37	8.41	-54.10
C[N@@H+](CC(=O)N[C@H](CC1=CNC=N1)C(=O)[O-])CC1=CC=CC=C1	REAL300006052821	1	43	0.0	-61.19	351.17	8.47	-52.72
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H](CC3=CNC=N3)C(=O)[O-])C=C2)CC1	REAL300006052825	0	55	0.0	-86.42	420.89	8.67	-77.75
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H](CC3=CN=CN3)C(=O)[O-])C=C2)CC1	REAL300006052825	1	55	0.0	-85.46	422.14	8.22	-77.24
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-]	REAL300006052874	0	50	0.0	-70.20	393.97	9.79	-60.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-]	REAL300006052874	1	50	0.0	-72.48	398.35	9.78	-62.70
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]	REAL300006052874	1	50	0.0	-66.88	395.39	9.27	-57.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]	REAL300006052874	1	50	0.0	-65.86	392.43	9.23	-56.63
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C=C1	REAL300006052898	0	51	0.0	-87.01	416.97	9.33	-77.68
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C=C1	REAL300006052898	1	51	0.0	-86.21	418.70	8.75	-77.46
C[NH+]1CCC(OCC(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])CC1	REAL300006052915	0	44	0.0	-81.08	354.43	6.96	-74.12
C[NH+]1CCC(OCC(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])CC1	REAL300006052915	1	44	0.0	-81.51	356.17	6.37	-75.14
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006052921	0	47	0.0	-80.27	379.56	8.46	-71.81
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006052962	0	49	0.0	-62.86	388.45	8.09	-54.77
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006052962	1	49	0.0	-54.03	387.36	8.15	-45.88
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006052962	1	49	0.0	-61.94	389.50	7.57	-54.37
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006052962	1	49	0.0	-52.48	387.90	7.71	-44.77
CCC[N@@H+]1CCCC(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C1	REAL300006053106	0	46	0.0	-59.74	351.94	8.10	-51.64
CCC[N@H+]1CCCC(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C1	REAL300006053106	1	46	0.0	-66.20	358.19	7.90	-58.30
CCC[N@@H+]1CCCC(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C1	REAL300006053106	1	46	0.0	-60.72	353.72	7.50	-53.22
CCC[N@H+]1CCCC(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C1	REAL300006053106	1	46	0.0	-67.90	359.94	7.30	-60.60
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-]	REAL300006053138	0	46	0.0	-57.74	359.39	8.05	-49.69
CC(C)C[N@H+]1CCCC1C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-]	REAL300006053138	1	46	0.0	-56.58	352.55	7.49	-49.09
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]	REAL300006053138	1	46	0.0	-60.98	360.93	7.45	-53.53
CC(C)C[N@H+]1CCCC1C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]	REAL300006053138	1	46	0.0	-55.82	349.89	6.71	-49.11
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006053141	1	44	0.0	-62.20	347.87	4.05	-58.15
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300006053235	0	51	0.0	-69.51	403.39	10.28	-59.23
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300006053235	1	51	0.0	-70.40	405.33	10.30	-60.10
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300006053235	1	51	0.0	-68.57	404.84	9.84	-58.73
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300006053235	1	51	0.0	-74.73	407.33	9.82	-64.91
CC(C)[N@@H+]1CCCC(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C1	REAL300006053362	0	46	0.0	-66.21	353.35	7.67	-58.54
CC(C)[N@H+]1CCCC(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C1	REAL300006053362	1	46	0.0	-56.16	346.42	7.85	-48.31
CC(C)[N@@H+]1CCCC(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C1	REAL300006053362	1	46	0.0	-67.89	355.11	7.07	-60.82
CC(C)[N@H+]1CCCC(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C1	REAL300006053362	1	46	0.0	-58.32	348.84	7.28	-51.04
C[N@@H+]1CC(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006053363	0	40	0.0	-69.08	323.86	6.42	-62.66
C[N@H+]1CC(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006053363	1	40	0.0	-81.16	317.79	6.75	-74.41
C[N@@H+]1CC(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006053363	1	40	0.0	-59.55	332.61	5.91	-53.64
C[N@H+]1CC(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006053363	1	40	0.0	-69.89	332.94	5.87	-64.02
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])=C1	REAL300006053863	0	46	0.0	-84.34	375.36	9.12	-75.22
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])=C1	REAL300006053863	1	46	0.0	-81.47	376.86	8.61	-72.86
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C=C1	REAL300006053869	0	47	0.0	-87.51	382.65	8.10	-79.41
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C=C1	REAL300006053869	1	47	0.0	-87.22	384.16	7.58	-79.64
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006053959	0	53	0.0	-74.80	414.41	10.75	-64.05
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006053959	1	53	0.0	-74.63	415.97	10.23	-64.40
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])CC1	REAL300006054004	0	46	0.0	-60.25	347.01	7.50	-52.75
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])CC1	REAL300006054004	1	46	0.0	-56.33	347.81	7.07	-49.26
CC1=[NH+]C=C2C=CC(C(=O)N[C@H](CC3=CNC=N3)C(=O)[O-])=CN21	REAL300006054009	0	38	0.0	-69.22	326.30	8.10	-61.12
CC1=[NH+]C=C2C=CC(C(=O)N[C@H](CC3=CN=CN3)C(=O)[O-])=CN21	REAL300006054009	1	38	0.0	-69.70	327.80	7.57	-62.13
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C1	REAL300006054070	0	49	0.0	-60.52	369.42	8.80	-51.72
CC(C)C[N@H+]1CCCC(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C1	REAL300006054070	1	49	0.0	-58.48	366.90	8.71	-49.77
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C1	REAL300006054070	1	49	0.0	-68.18	377.36	7.99	-60.19
CC(C)C[N@H+]1CCCC(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C1	REAL300006054070	1	49	0.0	-59.92	371.12	8.20	-51.72
C[NH+](C)CC1=CC=C(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])O1	REAL300006054075	1	40	0.0	-83.12	338.21	6.52	-76.60
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C1	REAL300006054080	0	49	0.0	-80.32	357.05	7.48	-72.84
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C1	REAL300006054080	1	49	0.0	-79.05	364.71	7.94	-71.11
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C1	REAL300006054080	1	49	0.0	-72.26	365.49	7.47	-64.79
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C1	REAL300006054080	1	49	0.0	-77.58	365.97	7.48	-70.10
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006054083	1	42	0.0	-65.71	322.85	8.00	-57.71
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006054083	1	42	0.0	-69.32	320.06	7.61	-61.71
O=C([O-])CC1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2=CC=CC=C21	REAL300006055128	0	57	0.0	-73.13	417.46	13.63	-59.50
O=C([O-])CC1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C2=CC=CC=C21	REAL300006055700	0	54	0.0	-64.35	403.73	13.12	-51.23
O=C([O-])CC1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C2=CC=CC=C21	REAL300006055700	1	54	0.0	-59.87	395.31	12.59	-47.28
O=C([O-])CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C2=CC=CC=C21	REAL300006056557	0	51	0.0	-66.27	365.11	11.16	-55.11
O=C([O-])CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C2=CC=CC=C21	REAL300006056583	0	48	0.0	-60.59	355.81	10.91	-49.68
O=C([O-])CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C2=CC=CC=C21	REAL300006056583	1	48	0.0	-61.13	348.50	10.43	-50.70
CC1=[NH+]C=C2CCC(C(=O)N3CCC(CC(=O)[O-])C4=CC=CC=C43)CN12	REAL300006056589	1	49	0.0	-60.75	364.37	11.05	-49.70
O=C([O-])CC1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C2=CC=CC=C21	REAL300006056590	0	57	0.0	-61.97	417.32	13.37	-48.60
C[N@@H+]1CCCCC1C(=O)N1CCC(CC(=O)[O-])C2=CC=CC=C21	REAL300006056669	0	47	0.0	-62.52	339.34	10.10	-52.42
C[N@H+]1CCCCC1C(=O)N1CCC(CC(=O)[O-])C2=CC=CC=C21	REAL300006056669	1	47	0.0	-65.35	332.48	9.86	-55.49
CC(C(=O)N1CCC(CC(=O)[O-])C2=CC=CC=C21)N1CC[NH+](C)CC1	REAL300006056670	1	52	0.0	-68.47	367.19	8.13	-60.34
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC(=O)[O-])C2=CC=CC=C21	REAL300006056711	0	47	0.0	-60.71	339.19	10.03	-50.68
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC(=O)[O-])C2=CC=CC=C21	REAL300006056711	1	47	0.0	-63.84	328.45	9.58	-54.26
C[NH+]1CCC(C(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)CC1	REAL300006056795	0	47	0.0	-69.46	340.30	9.95	-59.51
O=C([O-])CC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C2=CC=CC=C21	REAL300006056824	0	42	0.0	-67.61	326.18	11.59	-56.02
C[NH+](C)CC1(C(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)CCCCC1	REAL300006056859	0	56	0.0	-66.00	377.50	11.27	-54.73
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CCC(C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)[NH+](CC)CC	REAL300006061674	0	49	0.0	-48.26	355.04	10.32	-37.94
CC(C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)[N@H+](C)CC1=CC=CC=C1	REAL300006061676	0	50	0.0	-50.95	384.37	11.96	-38.99
CC(C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)[N@@H+](C)CC1=CC=CC=C1	REAL300006061676	1	50	0.0	-53.18	385.59	12.07	-41.11
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C=N1	REAL300006061696	0	46	0.0	-60.86	364.85	9.73	-51.13
CCC[NH+](CCC)CCCC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061700	0	55	0.0	-57.83	414.31	12.40	-45.43
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061709	1	45	0.0	-49.69	358.79	10.86	-38.83
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300006061724	0	51	0.0	-61.78	392.36	12.39	-49.39
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300006061729	0	54	0.0	-60.41	411.24	13.05	-47.36
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006061732	0	44	0.0	-48.98	340.12	9.84	-39.14
C[NH+](C)CCCCC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061740	0	46	0.0	-59.72	357.75	10.32	-49.40
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300006061764	0	54	0.0	-61.48	411.22	13.06	-48.42
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300006061775	1	47	0.0	-69.22	373.52	10.56	-58.66
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C=C1	REAL300006061776	0	50	0.0	-65.55	392.18	12.06	-53.49
CCC[N@H+](C)CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061789	0	43	0.0	-54.61	331.99	9.56	-45.05
CCC[N@@H+](C)CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061789	1	43	0.0	-53.11	331.37	9.44	-43.67
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)C1CCC1	REAL300006061803	0	44	0.0	-51.68	338.76	10.13	-41.55
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)C1CCC1	REAL300006061803	1	44	0.0	-51.23	338.40	10.11	-41.12
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)CC(C)(C)C	REAL300006061829	0	49	0.0	-52.33	359.27	10.42	-41.91
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)CC(C)(C)C	REAL300006061829	1	49	0.0	-53.05	362.89	10.64	-42.41
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061831	0	50	0.0	-59.19	392.37	12.57	-46.62
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061831	1	50	0.0	-57.59	391.33	12.45	-45.14
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061832	0	54	0.0	-58.78	421.07	8.84	-49.94
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061832	1	54	0.0	-57.92	420.10	8.70	-49.22
CC[C@@H](C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)[NH+](C)C	REAL300006061835	0	43	0.0	-54.40	322.34	9.16	-45.24
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006061837	0	48	0.0	-56.28	359.39	8.32	-47.96
C[N@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006061837	1	48	0.0	-55.70	358.80	8.42	-47.28
CCCCCC[N@H+](C)CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061849	0	52	0.0	-55.61	396.48	11.90	-43.71
CCCCCC[N@@H+](C)CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061849	1	52	0.0	-54.19	395.87	11.78	-42.41
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300006061863	1	39	0.0	-59.07	321.21	11.31	-47.76
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)C1CCSC1	REAL300006061873	0	45	0.0	-58.67	351.99	10.41	-48.26
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)C1CCSC1	REAL300006061873	1	45	0.0	-56.41	351.53	10.38	-46.03
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006061888	0	55	0.0	-56.58	408.33	9.39	-47.19
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006061889	0	58	0.0	-57.24	428.78	10.05	-47.19
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006061889	1	58	0.0	-58.32	425.08	9.84	-48.48
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300006061890	0	48	0.0	-46.63	356.05	10.72	-35.91
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300006061890	1	48	0.0	-50.40	345.86	10.22	-40.18
C[NH+](C)CCN1C=C(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C=N1	REAL300006061892	0	47	0.0	-67.32	373.95	9.23	-58.09
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300006061897	0	53	0.0	-61.52	398.17	11.52	-50.00
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300006061897	1	53	0.0	-59.92	398.39	11.42	-48.50
CC(C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006061902	1	51	0.0	-51.67	385.63	12.46	-39.21
CC(C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)[N@H+]1CCC2=CC=CC=C2C1	REAL300006061902	1	51	0.0	-51.49	387.47	12.51	-38.98
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006061917	0	54	0.0	-60.57	416.94	13.30	-47.27
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006061917	1	54	0.0	-60.94	418.10	13.38	-47.56
C[NH+](C)CCN1C=CC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)=N1	REAL300006061930	0	47	0.0	-61.24	373.58	9.86	-51.38
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061931	0	47	0.0	-58.57	368.33	9.36	-49.21
C[C@@H]1[C@H](C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC[N@@H+]1C	REAL300006061933	0	44	0.0	-54.53	326.98	9.26	-45.27
C[C@@H]1[C@H](C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC[N@H+]1C	REAL300006061933	1	44	0.0	-53.43	332.69	9.30	-44.13
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061934	1	48	0.0	-50.34	378.15	11.28	-39.06
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC[N@@H+]1C	REAL300006061937	0	47	0.0	-56.54	348.46	9.74	-46.80
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC[N@H+]1C	REAL300006061937	1	47	0.0	-58.53	355.86	10.13	-48.40
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)=NN1	REAL300006061939	1	48	0.0	-66.58	375.30	9.45	-57.13
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)=NN1	REAL300006061939	1	48	0.0	-64.60	375.10	9.52	-55.08
CC1C[N@H+](C)CC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)O1	REAL300006061944	1	45	0.0	-51.62	346.42	8.95	-42.67
CC1C[N@@H+](C)CC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)O1	REAL300006061944	1	45	0.0	-48.17	338.91	8.75	-39.42
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C[NH+]2CCCC2)C1	REAL300006061951	1	41	0.0	-52.12	316.12	9.06	-43.06
CC1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061953	1	39	0.0	-51.35	321.86	9.76	-41.59
CC(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006061955	1	48	0.0	-56.59	361.39	8.64	-47.95
CC1CC[NH+](CC(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006061974	0	47	0.0	-52.22	354.46	10.49	-41.73
CC[N@@H+]1CCOC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006061985	1	45	0.0	-52.85	343.09	8.82	-44.03
CC[N@H+]1CCOC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006061985	1	45	0.0	-51.15	344.03	8.94	-42.21
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300006062014	0	54	0.0	-55.31	397.01	12.05	-43.26
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300006062014	1	54	0.0	-55.40	395.58	11.96	-43.44
C[N@@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062020	0	47	0.0	-53.74	359.78	10.69	-43.05
C[N@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062020	1	47	0.0	-57.00	353.71	10.21	-46.79
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300006062031	0	48	0.0	-46.23	357.91	10.84	-35.39
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300006062031	1	48	0.0	-46.00	358.60	10.86	-35.14
CC[NH+](CC)CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062051	0	43	0.0	-51.75	328.13	9.49	-42.26
CC(C)[NH+]1CCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006062053	0	50	0.0	-55.62	370.65	10.88	-44.74
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C23CC[NH+](CC2)C3)C1	REAL300006062120	0	42	0.0	-58.48	316.72	8.31	-50.17
CCC(C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)[NH+](C)C	REAL300006062123	0	43	0.0	-53.04	322.42	9.22	-43.82
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300006062130	0	45	0.0	-52.95	324.66	8.90	-44.05
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300006062130	1	45	0.0	-58.11	324.53	8.95	-49.16
CC1CCC(C)[NH+]1CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062166	0	47	0.0	-48.72	348.94	10.03	-38.69
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)=C1	REAL300006062167	0	47	0.0	-63.56	369.67	11.21	-52.35
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006062168	0	54	0.0	-56.85	403.27	13.29	-43.56
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006062168	1	54	0.0	-56.52	411.36	13.09	-43.43
C#CC[NH+]1CCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006062219	0	46	0.0	-59.06	361.10	10.88	-48.18
CC[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006062221	0	52	0.0	-58.74	390.43	8.73	-50.01
CCN1CC[NH+](CCC(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006062221	1	52	0.0	-55.96	390.52	8.75	-47.21
CC(C)[N@H+](C)CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062222	0	43	0.0	-51.37	327.09	9.34	-42.03
CC(C)[N@@H+](C)CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062222	1	43	0.0	-50.64	326.56	9.23	-41.41
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062227	1	48	0.0	-49.96	377.32	11.23	-38.73
CC[N@H+](CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)C1CC1	REAL300006062234	0	44	0.0	-49.45	340.94	10.05	-39.40
CC[N@@H+](CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)C1CC1	REAL300006062234	1	44	0.0	-50.60	338.36	9.99	-40.61
CC(C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)[NH+]1CCCCCC1	REAL300006062259	0	50	0.0	-49.35	361.15	10.83	-38.52
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062263	1	41	0.0	-51.58	316.82	8.94	-42.64
C[N@H+]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062263	1	41	0.0	-53.08	311.11	8.60	-44.48
CC(C)(C)[NH2+]CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062330	0	43	0.0	-52.71	331.35	7.84	-44.87
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)O1	REAL300006062332	0	50	0.0	-56.49	386.30	11.17	-45.32
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)CCCC[NH+]2CCCC2)C1	REAL300006062333	0	50	0.0	-57.91	383.24	11.39	-46.52
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])CC4=CC(F)=CC=C43)CC2)[NH+]=C1	REAL300006062335	1	53	0.0	-54.65	405.83	11.10	-43.55
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)CC1=CC=CC=C1	REAL300006062336	1	47	0.0	-55.51	368.85	11.61	-43.90
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21)CC1=CC=CC=C1	REAL300006062336	1	47	0.0	-56.75	369.54	11.65	-45.10
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)=NO1	REAL300006062383	1	43	0.0	-70.38	348.19	9.44	-60.94
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062387	0	54	0.0	-57.18	415.14	13.02	-44.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062387	1	54	0.0	-54.34	417.59	13.18	-41.16
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062399	0	47	0.0	-48.87	342.24	10.23	-38.64
CC(C)[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC2=CC(F)=CC=C21	REAL300006062399	1	47	0.0	-49.42	352.68	10.02	-39.40
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006062416	0	48	0.0	-61.57	372.35	10.20	-51.37
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006062420	0	51	0.0	-55.94	395.05	11.77	-44.17
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006062565	0	50	0.0	-56.17	374.99	11.04	-45.13
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006062565	1	50	0.0	-57.26	375.59	11.06	-46.20
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300006062590	1	48	0.0	-56.78	365.86	7.34	-49.44
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006062765	0	50	0.0	-52.57	361.33	10.88	-41.69
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006062765	1	50	0.0	-52.26	360.53	10.83	-41.43
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C(C(F)(F)F)C1	REAL300006062766	0	44	0.0	-56.99	355.58	9.82	-47.17
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C(C(F)(F)F)C1	REAL300006062766	1	44	0.0	-64.12	343.05	9.50	-54.62
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)N1	REAL300006062790	1	45	0.0	-51.11	362.62	9.48	-41.63
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)=C1	REAL300006063176	0	50	0.0	-66.52	390.06	12.09	-54.43
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C=C1	REAL300006063183	0	51	0.0	-62.62	396.98	10.95	-51.67
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006063297	0	44	0.0	-60.06	341.38	9.88	-50.18
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)CC1	REAL300006063301	0	50	0.0	-58.94	360.99	10.49	-48.45
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])CC4=CC(F)=CC=C43)=CN12	REAL300006063305	0	42	0.0	-54.26	343.06	11.10	-43.16
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006063354	0	53	0.0	-53.37	383.47	11.81	-41.56
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006063354	1	53	0.0	-55.41	389.11	11.57	-43.84
CC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006063355	0	47	0.0	-53.62	344.75	10.54	-43.08
CC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006063355	1	47	0.0	-53.87	353.52	10.35	-43.52
C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006063360	0	44	0.0	-54.70	326.35	9.69	-45.01
C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)C1	REAL300006063360	1	44	0.0	-54.52	327.30	9.86	-44.66
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC3=CC(F)=CC=C32)O1	REAL300006063362	1	44	0.0	-55.67	353.60	9.98	-45.69
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300006063370	1	46	0.0	-48.73	343.34	9.98	-38.75
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300006063370	1	46	0.0	-44.20	343.39	11.25	-32.95
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)=N1	REAL300006064674	0	53	0.0	-73.60	409.66	10.00	-63.60
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)=N1	REAL300006064694	0	50	0.0	-68.68	389.41	9.32	-59.36
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)=N1	REAL300006064694	1	50	0.0	-68.40	385.41	9.21	-59.19
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=NC(C)=C(C(=O)[O-])S4)CC3)CN21	REAL300006064699	1	51	0.0	-67.64	403.17	9.58	-58.06
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH+](C)C)CC2)=N1	REAL300006064746	0	42	0.0	-74.54	336.40	7.04	-67.50
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCCC[N@H+]3C)CC2)=N1	REAL300006064747	0	49	0.0	-70.64	376.77	8.62	-62.02
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCCC[N@@H+]3C)CC2)=N1	REAL300006064747	1	49	0.0	-75.04	369.05	8.26	-66.78
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)N3CC[NH+](C)CC3)CC2)=N1	REAL300006064748	1	54	0.0	-73.77	406.18	6.71	-67.06
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)=N1	REAL300006064777	0	49	0.0	-68.01	376.06	8.56	-59.45
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)=N1	REAL300006064777	1	49	0.0	-74.31	368.81	8.25	-66.06
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)=N1	REAL300006064823	0	49	0.0	-78.77	380.34	8.61	-70.16
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)=N1	REAL300006064851	0	44	0.0	-74.34	365.67	10.20	-64.14
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)=N1	REAL300006064873	0	58	0.0	-70.15	411.41	9.72	-60.43
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)CC2)=N1	REAL300006064877	0	58	0.0	-75.98	434.75	10.67	-65.31
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2)=N1	REAL300006064877	1	58	0.0	-75.99	434.83	10.69	-65.30
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+]3C)CC2)=N1	REAL300006064888	0	46	0.0	-71.29	355.13	7.56	-63.73
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+]3C)CC2)=N1	REAL300006064888	1	46	0.0	-70.97	358.16	7.87	-63.10
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)=N1	REAL300006064930	0	49	0.0	-78.77	380.34	8.61	-70.16
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006064966	1	50	0.0	-71.19	407.39	9.98	-61.21
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)=N1	REAL300006064967	1	56	0.0	-78.18	434.68	8.67	-69.51
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H](C)[NH+](C)C)CC2)=N1	REAL300006064973	0	45	0.0	-72.18	352.40	7.38	-64.80
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)=N1	REAL300006064974	0	46	0.0	-74.27	355.29	7.55	-66.72
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)=N1	REAL300006064974	1	46	0.0	-71.01	358.16	7.87	-63.14
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H](C)[NH+](C)C)CC2)=N1	REAL300006064978	0	45	0.0	-70.52	352.39	7.36	-63.16
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3([NH+](C)C)CC3)CC2)=N1	REAL300006064986	0	46	0.0	-72.04	355.24	7.50	-64.54
CCC(C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](CC)CC	REAL300006065041	0	54	0.0	-66.20	397.42	9.18	-57.02
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(C[NH+](C)C)N=C3)CC2)=N1	REAL300006065060	0	51	0.0	-79.25	410.67	8.40	-70.85
CCC[NH+](CCC)CCCC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065063	0	60	0.0	-74.86	458.97	11.29	-63.57
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3C[N@H+](C)CCO3)CC2)=N1	REAL300006065064	1	47	0.0	-80.20	362.33	7.12	-73.08
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3C[N@@H+](C)CCO3)CC2)=N1	REAL300006065064	1	47	0.0	-85.92	369.23	7.28	-78.64
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CN3C=C[NH+]=C3C(C)C)CC2)=N1	REAL300006065073	1	50	0.0	-69.04	402.16	9.77	-59.27
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)=N1	REAL300006065082	0	49	0.0	-70.42	380.21	8.42	-62.00
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC[NH+](C)C)CC2)=N1	REAL300006065087	0	51	0.0	-76.14	401.78	9.23	-66.91
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C(C)C)[NH+](C)C)CC2)=N1	REAL300006065096	0	51	0.0	-73.55	378.45	8.59	-64.96
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065113	1	48	0.0	-67.03	389.40	7.69	-59.34
CCC[N@H+](C)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065120	0	48	0.0	-74.07	375.58	8.44	-65.63
CCC[N@@H+](C)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065120	1	48	0.0	-73.94	375.58	8.44	-65.50
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)=N1	REAL300006065139	0	49	0.0	-71.93	382.50	9.02	-62.91
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)=N1	REAL300006065139	1	49	0.0	-71.69	382.58	9.01	-62.68
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)[NH+]3CCSCC3)CC2)=N1	REAL300006065151	1	50	0.0	-73.00	393.34	8.96	-64.04
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)=N1	REAL300006065152	0	54	0.0	-73.90	404.18	9.43	-64.47
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)=N1	REAL300006065152	1	54	0.0	-73.34	406.13	9.58	-63.76
CC[C@@H](C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](C)C	REAL300006065156	0	48	0.0	-70.97	367.13	8.09	-62.88
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CC3(O)CCC[N@@H+](C)C3)CC2)=N1	REAL300006065158	0	53	0.0	-71.23	396.93	7.21	-64.02
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CC3(O)CCC[N@H+](C)C3)CC2)=N1	REAL300006065158	1	53	0.0	-73.85	394.09	7.31	-66.54
CCCCCC[N@H+](C)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065178	0	57	0.0	-75.20	440.07	10.79	-64.41
CCCCCC[N@@H+](C)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065178	1	57	0.0	-75.06	440.07	10.79	-64.27
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)=N1	REAL300006065185	0	50	0.0	-75.30	367.44	8.48	-66.82
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)=N1	REAL300006065193	1	44	0.0	-77.21	371.01	10.42	-66.79
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@@H+](C)C3CCSC3)CC2)=N1	REAL300006065200	0	50	0.0	-80.26	395.84	9.26	-71.00
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@H+](C)C3CCSC3)CC2)=N1	REAL300006065200	1	50	0.0	-78.68	397.09	9.25	-69.43
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCCC4CCC[N@@H+]43)CC2)=N1	REAL300006065215	0	53	0.0	-69.59	388.83	9.10	-60.49
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCCC4CCC[N@H+]43)CC2)=N1	REAL300006065215	1	53	0.0	-65.40	400.74	9.72	-55.68
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CN(CC[NH+](C)C)N=C3)CC2)=N1	REAL300006065216	0	52	0.0	-87.62	417.85	8.20	-79.42
CCCC(C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](C)C	REAL300006065238	0	51	0.0	-71.26	387.69	8.84	-62.42
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=NN(CC[NH+](C)C)C=C3)CC2)=N1	REAL300006065247	0	52	0.0	-81.18	417.96	8.83	-72.35
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=NN3CC[NH+](C)C)CC2)=N1	REAL300006065248	0	52	0.0	-69.98	414.10	8.23	-61.75
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)=N1	REAL300006065250	0	49	0.0	-76.32	372.47	8.28	-68.04
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)=N1	REAL300006065250	1	49	0.0	-77.05	378.28	8.26	-68.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065252	1	53	0.0	-68.46	422.37	10.31	-58.15
CC[C@@H]1[C@@H](C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC[N@@H+]1C	REAL300006065254	0	52	0.0	-75.07	393.56	8.66	-66.41
CC[C@@H]1[C@@H](C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC[N@H+]1C	REAL300006065254	1	52	0.0	-75.40	398.60	9.15	-66.25
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065256	1	48	0.0	-71.21	381.50	8.79	-62.42
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065256	1	48	0.0	-72.61	387.86	9.18	-63.43
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3C[N@@H+](C)CC(C)O3)CC2)=N1	REAL300006065260	1	50	0.0	-85.74	391.08	8.03	-77.71
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3C[N@H+](C)CC(C)O3)CC2)=N1	REAL300006065260	1	50	0.0	-86.25	383.91	7.63	-78.62
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH+]3CCCC3)CC2)=N1	REAL300006065266	0	46	0.0	-72.98	360.51	8.13	-64.85
CC1=[NH+]C=CN1CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065268	1	44	0.0	-70.92	364.74	8.60	-62.32
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)C[NH+]3CCOCC3)CC2)=N1	REAL300006065270	0	53	0.0	-76.68	407.57	7.64	-69.04
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)=N1	REAL300006065289	0	52	0.0	-74.16	399.19	9.52	-64.64
CC[N@@H+]1CCOC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300006065298	1	50	0.0	-78.32	386.99	7.93	-70.39
CC[N@H+]1CCOC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300006065298	1	50	0.0	-83.92	387.02	7.93	-75.99
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3CCC[N@H+]3C)CC2)=N1	REAL300006065324	0	52	0.0	-75.51	403.74	9.57	-65.94
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3CCC[N@@H+]3C)CC2)=N1	REAL300006065324	1	52	0.0	-77.64	400.10	9.41	-68.23
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)=N1	REAL300006065332	0	53	0.0	-84.32	383.95	8.72	-75.60
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3(C)CC(O)C[N@H+]3C)CC2)=N1	REAL300006065334	0	50	0.0	-70.58	374.30	3.95	-66.63
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3(C)CC(O)C[N@@H+]3C)CC2)=N1	REAL300006065334	1	50	0.0	-69.39	373.03	4.12	-65.27
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)=N1	REAL300006065335	0	53	0.0	-70.23	396.07	9.52	-60.71
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC4CCCC[N@H+]43)CC2)=N1	REAL300006065335	1	53	0.0	-70.04	396.00	9.50	-60.54
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC2)=N1	REAL300006065339	0	56	0.0	-73.98	407.24	7.60	-66.38
CC[NH+](CC)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065350	0	48	0.0	-71.67	372.15	8.37	-63.30
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)=N1	REAL300006065352	0	55	0.0	-75.84	411.01	9.55	-66.29
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)=N1	REAL300006065419	0	47	0.0	-76.77	360.65	7.32	-69.45
CCC(C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](C)C	REAL300006065422	0	48	0.0	-72.21	364.43	7.95	-64.26
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)=N1	REAL300006065429	0	50	0.0	-74.73	369.96	7.90	-66.83
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)=N1	REAL300006065429	1	50	0.0	-74.75	370.32	7.92	-66.83
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH+]3C(C)CCC3C)CC2)=N1	REAL300006065461	0	52	0.0	-70.21	393.54	9.05	-61.16
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=CC(C[NH+](C)C)=C3)CC2)=N1	REAL300006065462	0	52	0.0	-75.90	413.22	10.18	-65.72
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)=N1	REAL300006065489	0	49	0.0	-71.15	360.74	7.92	-63.23
C#CC[NH+]1CCC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300006065506	0	51	0.0	-80.19	404.60	9.75	-70.44
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065507	0	55	0.0	-70.16	405.05	9.55	-60.61
CCC[N@H+]1CCCCC1C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006065507	1	55	0.0	-67.45	415.11	9.94	-57.51
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=CC=C3C[NH+](C)C)CC2)=N1	REAL300006065508	0	52	0.0	-73.49	411.58	10.25	-63.24
CC[NH+]1CCN(CCC(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300006065509	0	57	0.0	-75.44	434.51	7.70	-67.74
CCN1CC[NH+](CCC(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300006065509	1	57	0.0	-76.55	435.02	7.74	-68.81
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)=N1	REAL300006065510	0	48	0.0	-71.63	370.82	8.23	-63.40
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)=N1	REAL300006065510	1	48	0.0	-71.15	370.82	8.24	-62.91
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C(C)C)[NH+]3CCCCC3)CC2)=N1	REAL300006065511	0	58	0.0	-71.30	418.29	10.42	-60.88
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C3=CC=CC=C3)[NH+](C)C)CC2)=N1	REAL300006065512	1	52	0.0	-68.46	404.54	10.25	-58.21
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCN3C=C[NH+]=C3C(C)C)CC2)=N1	REAL300006065516	1	53	0.0	-67.93	421.80	10.23	-57.70
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)=N1	REAL300006065521	0	56	0.0	-69.94	407.11	10.29	-59.65
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)=N1	REAL300006065521	1	56	0.0	-68.69	420.10	10.29	-58.40
CC[N@H+](CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)C1CC1	REAL300006065523	0	49	0.0	-72.46	377.44	8.60	-63.86
CC[N@@H+](CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)C1CC1	REAL300006065523	1	49	0.0	-71.08	379.69	8.78	-62.30
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)[NH+]3CCCCCC3)CC2)=N1	REAL300006065538	0	55	0.0	-69.29	404.11	9.48	-59.81
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)=N1	REAL300006065541	0	46	0.0	-70.82	361.07	7.89	-62.93
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)=N1	REAL300006065541	1	46	0.0	-73.45	354.84	7.57	-65.88
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH2+]C(C)(C)C)CC2)=N1	REAL300006065587	0	48	0.0	-72.96	375.36	6.76	-66.20
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)=N1	REAL300006065588	0	55	0.0	-74.84	427.00	10.35	-64.49
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@@H+](C)CC3=CC=CC=C3)CC2)=N1	REAL300006065590	1	52	0.0	-78.38	413.00	10.62	-67.76
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@H+](C)CC3=CC=CC=C3)CC2)=N1	REAL300006065590	1	52	0.0	-78.09	413.00	10.62	-67.47
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)=N1	REAL300006065597	0	51	0.0	-73.71	375.47	8.67	-65.04
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)=N1	REAL300006065610	1	47	0.0	-79.79	393.04	8.15	-71.64
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=NOC(C[NH+](C)C)=C3)CC2)=N1	REAL300006065622	1	48	0.0	-80.90	391.63	8.33	-72.57
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+]3C(C)C)CC2)=N1	REAL300006065631	0	52	0.0	-69.39	383.22	9.23	-60.16
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+]3C(C)C)CC2)=N1	REAL300006065631	1	52	0.0	-68.72	391.78	8.95	-59.77
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)=N1	REAL300006065646	0	53	0.0	-79.43	416.33	9.21	-70.22
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300006065758	0	55	0.0	-72.43	418.66	9.91	-62.52
CCC[N@H+]1CCCC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300006065758	1	55	0.0	-73.04	411.73	10.12	-62.92
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+]3CC(C)C)CC2)=N1	REAL300006065776	0	55	0.0	-70.55	414.24	9.65	-60.90
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+]3CC(C)C)CC2)=N1	REAL300006065776	1	55	0.0	-70.02	417.59	10.03	-59.99
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)=N1	REAL300006065777	0	53	0.0	-77.41	409.75	6.20	-71.21
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+](C(C)C)C3)CC2)=N1	REAL300006065925	0	55	0.0	-66.88	406.76	9.90	-56.98
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+](C(C)C)C3)CC2)=N1	REAL300006065925	1	55	0.0	-74.79	405.72	9.62	-65.17
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3=[NH+]C(C)=C(C)N3)CC2)=N1	REAL300006065944	1	50	0.0	-68.98	407.59	8.41	-60.57
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H]3C[C@H]([NH+](C)C)C3)CC2)=N1	REAL300006066326	0	49	0.0	-76.31	385.65	8.79	-67.52
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H]3CC[C@@H]([NH+](C)C)CC3)CC2)=N1	REAL300006066330	0	55	0.0	-71.85	405.00	9.50	-62.35
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+](CC(C)C)C3)CC2)=N1	REAL300006066371	0	58	0.0	-74.86	437.26	10.70	-64.16
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+](CC(C)C)C3)CC2)=N1	REAL300006066371	1	58	0.0	-74.86	437.26	10.70	-64.16
CC[N@@H+]1CCCC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300006066372	0	52	0.0	-68.01	389.14	9.30	-58.71
CC[N@H+]1CCCC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300006066372	1	52	0.0	-68.01	389.14	9.30	-58.71
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+](C)C3)CC2)=N1	REAL300006066377	0	49	0.0	-76.89	380.93	8.58	-68.31
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+](C)C3)CC2)=N1	REAL300006066377	1	49	0.0	-76.89	380.93	8.58	-68.31
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(CN(C)C)O3)CC2)=N1	REAL300006066379	0	49	0.0	-79.38	396.81	8.70	-70.68
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(C[NH+](C)C)O3)CC2)=N1	REAL300006066379	1	49	0.0	-79.38	396.81	8.70	-70.68
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)(C)C3CCC[N@@H+](C)C3)CC2)=N1	REAL300006066385	0	58	0.0	-74.82	416.78	9.62	-65.20
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)(C)C3CCC[N@H+](C)C3)CC2)=N1	REAL300006066385	1	58	0.0	-74.82	416.78	9.62	-65.20
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2)=N1	REAL300006066388	0	51	0.0	-69.16	392.50	9.39	-59.77
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006067372	0	53	0.0	-86.64	407.06	8.44	-78.20
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006068632	0	47	0.0	-79.41	364.11	6.45	-72.96
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3C3=NNN=C3C(=O)[O-])CN21	REAL300006068658	1	45	0.0	-71.75	353.74	5.90	-65.85
CC(C(=O)N1CCCC1C1=NNN=C1C(=O)[O-])N1CC[NH+](C)CC1	REAL300006068725	1	48	0.0	-76.07	356.94	3.00	-73.07
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006068759	0	43	0.0	-68.01	330.91	5.03	-62.98
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006068759	1	43	0.0	-70.54	319.05	4.59	-65.95
C[NH+]1CCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006068831	0	43	0.0	-84.70	330.52	4.87	-79.83
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006068856	0	38	0.0	-81.57	325.62	6.90	-74.67
C[NH+](C)CC1(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CCCCC1	REAL300006068885	0	52	0.0	-81.97	352.99	7.00	-74.97
C[N@H+](CCC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])C1CCCCC1	REAL300006068889	0	52	0.0	-77.57	388.72	7.12	-70.45
C[N@@H+](CCC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])C1CCCCC1	REAL300006068889	1	52	0.0	-77.57	388.72	7.11	-70.46
C[NH+]1CCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006068947	0	43	0.0	-84.70	330.52	4.87	-79.83
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006068950	0	46	0.0	-59.71	361.69	4.99	-54.72
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006068965	0	54	0.0	-86.45	402.24	5.67	-80.78
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006068994	1	44	0.0	-75.32	361.23	6.43	-68.89
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300006068995	1	50	0.0	-82.91	388.53	5.12	-77.79
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C=C1)C(C)C	REAL300006068997	0	55	0.0	-46.99	399.45	7.50	-39.49
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C=C1)C(C)C	REAL300006068997	1	55	0.0	-53.42	399.90	7.50	-45.92
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006069034	0	50	0.0	-76.50	393.17	7.84	-68.66
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006069034	1	50	0.0	-77.70	393.51	7.88	-69.82
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006069035	0	51	0.0	-87.46	394.36	7.27	-80.19
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006069061	0	54	0.0	-78.34	387.04	5.37	-72.97
CCC(C(=O)N1CCCC1C1=NNN=C1C(=O)[O-])[NH+](CC)CC	REAL300006069065	0	48	0.0	-64.40	351.57	5.68	-58.72
CC(C(=O)N1CCCC1C1=NNN=C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006069067	0	49	0.0	-73.67	383.92	7.44	-66.23
CC(C(=O)N1CCCC1C1=NNN=C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006069067	1	49	0.0	-73.26	382.30	7.42	-65.84
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006069076	0	56	0.0	-69.02	423.41	9.43	-59.59
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006069076	1	56	0.0	-80.67	429.55	9.26	-71.41
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C=N1	REAL300006069089	0	45	0.0	-86.59	360.97	4.67	-81.92
CCC[NH+](CCC)CCCC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069095	0	54	0.0	-77.65	412.86	7.73	-69.92
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069105	1	44	0.0	-68.13	356.07	6.21	-61.92
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006069120	0	50	0.0	-90.85	389.98	7.73	-83.12
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006069126	0	53	0.0	-80.59	406.69	8.43	-72.16
C[NH+](C)CC1(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006069132	0	43	0.0	-84.23	326.67	4.88	-79.35
C[NH+](C)CCCCC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069140	0	45	0.0	-81.63	355.67	5.65	-75.98
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006069150	1	54	0.0	-90.39	417.84	8.00	-82.39
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006069150	1	54	0.0	-86.82	424.65	8.04	-78.78
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006069165	0	53	0.0	-91.24	406.72	8.44	-82.80
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006069177	1	46	0.0	-83.35	371.91	5.90	-77.45
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C=C1	REAL300006069178	0	49	0.0	-93.59	387.65	7.43	-86.16
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069184	1	42	0.0	-68.39	338.93	4.08	-64.31
C[N@H+](CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])C1CCC1	REAL300006069205	0	43	0.0	-68.44	336.39	5.47	-62.97
C[N@@H+](CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])C1CCC1	REAL300006069205	1	43	0.0	-68.90	336.55	5.48	-63.42
C[N@H+](CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])CC(C)(C)C	REAL300006069233	0	48	0.0	-70.80	360.43	6.06	-64.74
C[N@@H+](CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])CC(C)(C)C	REAL300006069233	1	48	0.0	-71.18	360.09	6.04	-65.14
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069235	0	49	0.0	-73.50	389.49	7.92	-65.58
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069235	1	49	0.0	-73.55	389.44	7.93	-65.62
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069236	0	53	0.0	-76.66	418.45	4.15	-72.51
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069236	1	53	0.0	-78.20	418.49	4.13	-74.07
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006069240	0	47	0.0	-68.96	350.61	3.64	-65.32
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006069240	1	47	0.0	-77.01	348.05	3.77	-73.24
CCCCCC[N@H+](C)CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069252	0	51	0.0	-72.19	394.02	7.24	-64.95
CCCCCC[N@@H+](C)CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069252	1	51	0.0	-72.20	394.08	7.24	-64.96
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006069266	1	38	0.0	-85.05	325.72	6.92	-78.13
C[N@H+](CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])C1CCSC1	REAL300006069279	0	44	0.0	-74.76	349.66	5.74	-69.02
C[N@@H+](CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])C1CCSC1	REAL300006069279	1	44	0.0	-76.49	349.69	5.71	-70.78
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006069294	0	54	0.0	-79.49	405.64	4.70	-74.79
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006069295	0	57	0.0	-77.37	427.13	5.50	-71.87
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006069295	1	57	0.0	-78.47	423.61	5.29	-73.18
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300006069296	0	47	0.0	-72.78	346.96	5.94	-66.84
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300006069296	1	47	0.0	-70.61	343.24	5.66	-64.95
C[NH+](C)CCN1C=C(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C=N1	REAL300006069298	0	46	0.0	-86.74	369.30	4.60	-82.14
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006069302	0	55	0.0	-80.33	423.07	6.86	-73.47
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006069304	0	52	0.0	-77.67	395.84	6.80	-70.87
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006069304	1	52	0.0	-86.41	395.71	6.65	-79.76
CC(C(=O)N1CCCC1C1=NNN=C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006069309	1	50	0.0	-72.93	383.89	7.82	-65.11
CC(C(=O)N1CCCC1C1=NNN=C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006069309	1	50	0.0	-71.71	387.00	7.76	-63.95
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006069328	0	53	0.0	-83.37	415.94	8.76	-74.61
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006069328	1	53	0.0	-82.45	412.69	8.68	-73.77
C[NH+](C)CCN1C=CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])=N1	REAL300006069341	0	46	0.0	-96.17	372.05	5.23	-90.94
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069342	0	46	0.0	-63.52	364.60	4.67	-58.85
C[C@@H]1[C@H](C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC[N@@H+]1C	REAL300006069344	0	43	0.0	-79.68	324.39	4.84	-74.84
C[C@@H]1[C@H](C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC[N@H+]1C	REAL300006069344	1	43	0.0	-80.52	332.77	4.70	-75.82
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069345	1	47	0.0	-71.49	376.22	6.73	-64.76
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC[N@@H+]1C	REAL300006069348	0	46	0.0	-79.64	343.63	4.98	-74.66
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC[N@H+]1C	REAL300006069348	1	46	0.0	-78.87	350.62	5.36	-73.51
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])=NN1	REAL300006069351	1	47	0.0	-86.73	373.14	4.77	-81.96
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])=NN1	REAL300006069351	1	47	0.0	-86.62	373.57	4.76	-81.86
CC1C[N@H+](C)CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])O1	REAL300006069358	1	44	0.0	-92.79	337.06	4.04	-88.75
CC1C[N@@H+](C)CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])O1	REAL300006069358	1	44	0.0	-74.12	337.36	4.33	-69.79
CC1=[NH+]C=CN1CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069365	1	38	0.0	-68.85	319.74	5.10	-63.75
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069367	1	47	0.0	-78.15	361.87	4.09	-74.06
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006069368	0	54	0.0	-79.24	420.81	6.28	-72.96
CC1CC[NH+](CC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006069383	0	46	0.0	-71.79	352.83	5.96	-65.83
CC[N@@H+]1CCOC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006069396	1	44	0.0	-73.91	334.02	4.24	-69.67
CC[N@H+]1CCOC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006069396	1	44	0.0	-88.69	340.93	4.38	-84.31
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006069427	0	53	0.0	-76.09	392.30	7.28	-68.81
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006069427	1	53	0.0	-75.04	394.18	7.31	-67.73
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069434	0	46	0.0	-81.68	357.76	6.01	-75.67
C[N@H+]1CCCC1CCC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069434	1	46	0.0	-75.76	352.32	5.54	-70.22
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300006069445	0	47	0.0	-67.91	356.22	6.29	-61.62
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300006069445	1	47	0.0	-67.08	354.38	6.26	-60.82
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC3C3=NNN=C3C(=O)[O-])=C2)CC1	REAL300006069457	0	55	0.0	-80.69	423.74	6.00	-74.69
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC3C3=NNN=C3C(=O)[O-])C=C2)CC1	REAL300006069458	0	55	0.0	-54.83	415.92	5.40	-49.43
CC(C)[NH+]1CCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006069467	0	49	0.0	-81.55	361.18	5.82	-75.73
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C12CC[NH+](CC1)C2	REAL300006069535	0	41	0.0	-80.80	315.15	3.73	-77.07
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300006069544	0	44	0.0	-79.01	323.24	4.32	-74.69
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300006069544	1	44	0.0	-85.44	322.55	4.31	-81.13
CC1CCC(C)[NH+]1CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069583	0	46	0.0	-68.06	347.56	5.39	-62.67
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])=C1	REAL300006069584	0	46	0.0	-82.37	364.51	6.58	-75.79
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006069585	0	53	0.0	-75.42	411.65	8.58	-66.84
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006069585	1	53	0.0	-79.72	400.99	8.45	-71.27
C#CC[NH+]1CCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006069640	0	45	0.0	-87.40	355.69	6.08	-81.32
CC[NH+]1CCN(CCC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006069642	0	51	0.0	-81.02	388.91	4.19	-76.83
CCN1CC[NH+](CCC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006069642	1	51	0.0	-76.60	388.37	4.14	-72.46
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069649	1	47	0.0	-70.16	375.72	6.67	-63.49
CC[N@H+](CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])C1CC1	REAL300006069655	0	43	0.0	-67.92	339.82	5.53	-62.39
CC[N@@H+](CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])C1CC1	REAL300006069655	1	43	0.0	-69.10	336.62	5.45	-63.65
CC(C(=O)N1CCCC1C1=NNN=C1C(=O)[O-])[NH+]1CCCCCC1	REAL300006069682	0	49	0.0	-66.81	357.84	5.91	-60.90
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3C3=NNN=C3C(=O)[O-])=CC=C1N2	REAL300006069720	1	51	0.0	-99.02	399.88	7.00	-92.02
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3C3=NNN=C3C(=O)[O-])=CC=C1N2	REAL300006069720	1	51	0.0	-98.79	400.15	6.97	-91.82
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])O1	REAL300006069759	0	49	0.0	-87.01	383.25	6.45	-80.56
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300006069760	0	49	0.0	-80.31	379.98	6.72	-73.59
C[N@H+](CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])CC1=CC=CC=C1	REAL300006069763	1	46	0.0	-75.37	366.95	7.08	-68.29
C[N@@H+](CC(=O)N1CCCC1C1=NNN=C1C(=O)[O-])CC1=CC=CC=C1	REAL300006069763	1	46	0.0	-75.75	367.02	7.08	-68.67
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069815	0	53	0.0	-86.10	410.74	8.24	-77.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069815	1	53	0.0	-76.24	411.21	8.55	-67.69
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069830	0	46	0.0	-70.94	340.53	5.72	-65.22
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1C1=NNN=C1C(=O)[O-]	REAL300006069830	1	46	0.0	-68.41	344.93	5.43	-62.98
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C=C1	REAL300006069838	0	54	0.0	-91.00	431.87	7.94	-83.06
C[NH+]1CCC(OCC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006069851	0	47	0.0	-87.10	370.21	5.64	-81.46
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006069856	0	50	0.0	-87.93	392.43	7.14	-80.79
CCC[N@@H+]1CCCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006070009	0	49	0.0	-75.46	369.65	6.23	-69.23
CCC[N@H+]1CCCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006070009	1	49	0.0	-66.29	363.61	6.40	-59.89
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006070035	1	47	0.0	-71.86	363.73	2.66	-69.20
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006070219	0	49	0.0	-64.24	359.43	6.31	-57.93
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006070219	1	49	0.0	-64.23	359.72	6.38	-57.85
C[N@@H+]1CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006070220	0	43	0.0	-82.99	353.83	5.17	-77.82
C[N@H+]1CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006070220	1	43	0.0	-83.90	337.10	5.22	-78.68
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2C2=NNN=C2C(=O)[O-])N1	REAL300006070244	1	44	0.0	-70.98	360.60	4.79	-66.19
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])=C1	REAL300006070642	0	49	0.0	-83.95	387.00	7.41	-76.54
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C=C1	REAL300006070649	0	50	0.0	-91.37	394.96	6.36	-85.01
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006070739	0	56	0.0	-78.94	429.96	9.47	-69.47
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC3C3=NNN=C3C(=O)[O-])C=C2)CCO1	REAL300006070741	1	54	0.0	-94.73	419.21	6.79	-87.94
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC3C3=NNN=C3C(=O)[O-])C=C2)CCO1	REAL300006070741	1	54	0.0	-54.05	407.85	6.13	-47.92
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006070769	0	43	0.0	-77.63	339.46	5.20	-72.43
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])CC1	REAL300006070773	0	49	0.0	-73.26	358.29	5.86	-67.40
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3C3=NNN=C3C(=O)[O-])=CN21	REAL300006070777	0	41	0.0	-76.94	346.48	6.64	-70.30
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006070830	0	52	0.0	-67.60	378.24	7.06	-60.54
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006070830	1	52	0.0	-74.51	387.09	6.93	-67.58
CC[N@@H+]1CCCC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C1	REAL300006070831	0	46	0.0	-66.01	342.01	5.65	-60.36
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CC(C)C[N@@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])N=CN2)C1	REAL300006080592	0	46	0.0	-71.21	354.43	6.65	-64.56
CC(C)C[N@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])N=CN2)C1	REAL300006080592	1	46	0.0	-71.21	354.43	6.65	-64.56
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=C(C(=O)[O-])N=CN2)C1	REAL300006080598	0	46	0.0	-80.53	335.60	5.63	-74.90
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=C(C(=O)[O-])N=CN2)C1	REAL300006080598	1	46	0.0	-80.53	335.60	5.63	-74.90
CC1=CC=NC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006080642	0	44	0.0	-52.41	349.86	5.99	-46.42
O=C([O-])C1=NN(C2CCCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C2)C=C1	REAL300006081673	0	57	0.0	-98.67	433.91	11.54	-87.13
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C2)C=C1	REAL300006082235	0	54	0.0	-86.29	410.19	10.57	-75.72
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C2)C=C1	REAL300006082235	1	54	0.0	-83.59	410.28	10.58	-73.01
O=C([O-])C1=NN(C2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C=C1	REAL300006083075	0	51	0.0	-93.09	382.59	9.23	-83.86
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C=C1	REAL300006083100	0	48	0.0	-83.68	366.72	8.74	-74.94
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@H+]3C3CC3)C2)C=C1	REAL300006083100	1	48	0.0	-83.59	361.81	8.62	-74.97
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(N4C=CC(C(=O)[O-])=N4)C3)CN21	REAL300006083106	1	49	0.0	-84.55	382.50	9.11	-75.44
O=C([O-])C1=NN(C2CCCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C2)C=C1	REAL300006083107	0	57	0.0	-90.15	434.83	11.47	-78.68
C[N@@H+]1CCCCC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083187	0	47	0.0	-89.87	346.44	7.68	-82.19
C[N@H+]1CCCCC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083187	1	47	0.0	-82.54	353.10	7.98	-74.56
CC(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)N1CC[NH+](C)CC1	REAL300006083188	1	52	0.0	-73.58	381.11	5.98	-67.60
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083228	0	47	0.0	-84.95	353.49	7.97	-76.98
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083228	1	47	0.0	-89.88	346.48	7.67	-82.21
C[NH+]1CCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006083315	0	47	0.0	-95.13	358.27	8.03	-87.10
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)C=C1	REAL300006083345	0	42	0.0	-80.46	347.94	9.75	-70.71
C[NH+](C)CC1(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CCCCC1	REAL300006083379	0	56	0.0	-98.10	388.77	9.86	-88.24
C[N@H+](CCC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1CCCCC1	REAL300006083384	0	56	0.0	-92.43	412.23	10.10	-82.33
C[N@@H+](CCC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1CCCCC1	REAL300006083384	1	56	0.0	-92.62	412.23	10.10	-82.52
C[N@@H+]1CCCC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083401	0	44	0.0	-87.10	332.51	6.96	-80.14
C[N@H+]1CCCC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083401	1	44	0.0	-84.08	335.64	7.21	-76.87
C[NH+]1CCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006083457	0	47	0.0	-95.13	358.27	8.03	-87.10
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C2)C=C1	REAL300006083461	0	50	0.0	-91.31	401.90	8.71	-82.60
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C2)C=C1	REAL300006083481	0	57	0.0	-84.06	403.23	10.07	-73.99
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCCC[N@H+]3C3CCCC3)C2)C=C1	REAL300006083481	1	57	0.0	-83.66	402.23	10.00	-73.66
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C2)C=C1	REAL300006083482	0	58	0.0	-85.54	415.56	8.37	-77.17
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083518	1	48	0.0	-87.14	384.86	9.40	-77.74
O=C([O-])C1=NN(C2CCCN(C(=O)CCCC[NH+]3CCOCC3)C2)C=C1	REAL300006083519	1	54	0.0	-94.49	412.07	8.09	-86.40
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C=C1)C(C)C	REAL300006083522	0	59	0.0	-92.94	435.37	11.01	-81.93
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C=C1)C(C)C	REAL300006083522	1	59	0.0	-93.01	430.14	10.76	-82.25
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083525	0	44	0.0	-84.94	332.22	7.00	-77.94
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083525	1	44	0.0	-85.33	335.73	7.29	-78.04
C[NH+](C)C1(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006083534	0	44	0.0	-93.79	335.82	7.02	-86.77
O=C([O-])C1=NN(C2CCCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C2)C=C1	REAL300006083580	0	54	0.0	-92.22	414.61	10.78	-81.44
O=C([O-])C1=NN(C2CCCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C2)C=C1	REAL300006083580	1	54	0.0	-90.99	415.33	10.78	-80.21
O=C([O-])C1=NN(C2CCCN(C(=O)C3CC[NH+](C4CCSC4)CC3)C2)C=C1	REAL300006083581	0	55	0.0	-99.54	412.97	10.00	-89.54
O=C([O-])C1=NN(C2CCCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)C=C1	REAL300006083605	0	58	0.0	-91.66	410.58	8.38	-83.28
CCC(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+](CC)CC	REAL300006083609	0	52	0.0	-79.72	374.11	8.61	-71.11
CC(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300006083611	0	53	0.0	-90.21	407.10	10.40	-79.81
CC(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006083611	1	53	0.0	-90.23	407.15	10.41	-79.82
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C=N1	REAL300006083644	0	49	0.0	-95.56	387.75	7.79	-87.77
CCC[NH+](CCC)CCCC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083650	0	58	0.0	-90.70	431.89	10.42	-80.28
CC[N@H+](C)C(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1=CC=CC=C1	REAL300006083651	0	53	0.0	-85.14	403.32	10.42	-74.72
CC[N@@H+](C)C(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1=CC=CC=C1	REAL300006083651	1	53	0.0	-81.95	402.00	10.33	-71.62
C[N@@H+]1CCOC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006083653	1	45	0.0	-105.61	346.64	6.69	-98.92
C[N@H+]1CCOC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006083653	1	45	0.0	-88.88	339.91	6.52	-82.36
CC[NH+](CC)C(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1=CC=CC=C1	REAL300006083655	0	56	0.0	-87.67	411.68	10.60	-77.07
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083664	1	48	0.0	-82.80	379.11	9.16	-73.64
C[NH+](C)C(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1=CC=C(Cl)C=C1	REAL300006083669	1	50	0.0	-90.58	402.47	10.27	-80.31
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C2)C=C1	REAL300006083682	0	54	0.0	-95.83	416.24	10.75	-85.08
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C2)C=C1	REAL300006083689	0	57	0.0	-87.82	432.99	11.44	-76.38
C[NH+](C)CC1(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006083693	0	47	0.0	-87.81	362.22	8.06	-79.75
C[NH+](C)CCCCC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083702	0	49	0.0	-92.82	379.20	8.63	-84.19
CC(C)C(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+](C)C	REAL300006083711	0	49	0.0	-88.48	353.33	8.10	-80.38
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C2)C=C1	REAL300006083724	0	57	0.0	-89.98	422.94	11.24	-78.74
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C2)C=C1	REAL300006083724	1	57	0.0	-84.70	429.86	11.52	-73.18
CC1=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300006083726	1	48	0.0	-93.33	389.01	7.98	-85.35
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C2)C=C1	REAL300006083734	0	57	0.0	-96.08	433.60	11.48	-84.60
O=C([O-])C1=NN(C2CCCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C2)C=C1	REAL300006083747	1	50	0.0	-84.08	394.73	8.85	-75.23
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C=C1	REAL300006083748	0	53	0.0	-96.03	414.52	10.47	-85.56
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083759	1	46	0.0	-81.50	366.52	7.07	-74.43
O=C([O-])C1=NN(C2CCCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)C2)C=C1	REAL300006083761	1	55	0.0	-100.22	416.44	10.08	-90.14
O=C([O-])C1=NN(C2CCCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)C2)C=C1	REAL300006083761	1	55	0.0	-100.24	416.44	10.08	-90.16
CCC[N@H+](C)CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083770	0	46	0.0	-88.49	353.08	7.87	-80.62
CCC[N@@H+](C)CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083770	1	46	0.0	-88.47	353.01	7.85	-80.62
C[N@H+](CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1CCC1	REAL300006083792	0	47	0.0	-85.63	359.95	8.43	-77.20
C[N@@H+](CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1CCC1	REAL300006083792	1	47	0.0	-86.09	360.06	8.44	-77.65
CC(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+]1CCSCC1	REAL300006083816	1	48	0.0	-87.69	370.97	8.38	-79.31
C[N@H+](CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)CC(C)(C)C	REAL300006083821	0	52	0.0	-88.62	381.61	8.84	-79.78
C[N@@H+](CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)CC(C)(C)C	REAL300006083821	1	52	0.0	-88.27	383.56	8.99	-79.28
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083823	0	53	0.0	-91.54	412.91	10.88	-80.66
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083823	1	53	0.0	-91.61	412.92	10.88	-80.73
COCCOCC[N@H+](C)CCC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083824	0	57	0.0	-91.58	441.97	7.12	-84.46
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083824	1	57	0.0	-93.16	441.99	7.13	-86.03
CC[C@@H](C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+](C)C	REAL300006083828	0	46	0.0	-86.29	344.55	7.51	-78.78
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006083830	0	51	0.0	-88.90	381.28	6.92	-81.98
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006083830	1	51	0.0	-89.38	371.50	6.74	-82.64
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)C2)C=C1	REAL300006083851	1	56	0.0	-91.32	425.81	9.83	-81.49
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)C2)C=C1	REAL300006083851	1	56	0.0	-95.10	417.91	9.49	-85.61
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)C2)C=C1	REAL300006083852	1	56	0.0	-85.76	424.80	9.67	-76.09
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)C2)C=C1	REAL300006083852	1	56	0.0	-91.45	425.96	9.85	-81.60
CCCCCC[N@H+](C)CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083854	0	55	0.0	-89.59	417.57	10.20	-79.39
CCCCCC[N@@H+](C)CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083854	1	55	0.0	-89.62	417.50	10.20	-79.42
O=C([O-])C1=NN(C2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C=C1	REAL300006083864	0	48	0.0	-83.04	350.44	7.77	-75.27
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)C=C1	REAL300006083872	1	42	0.0	-94.35	343.50	9.62	-84.73
C[N@H+](CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1CCSC1	REAL300006083885	0	48	0.0	-93.61	373.17	8.70	-84.91
C[N@@H+](CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1CCSC1	REAL300006083885	1	48	0.0	-95.33	373.23	8.67	-86.66
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006083902	0	58	0.0	-88.05	428.78	7.63	-80.42
CC(C)N1CC[NH+](CCC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006083902	1	58	0.0	-91.89	425.70	7.48	-84.41
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006083903	0	61	0.0	-87.15	450.66	8.48	-78.67
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006083903	1	61	0.0	-91.59	447.51	8.31	-83.28
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)C=C1	REAL300006083904	0	51	0.0	-85.10	366.18	8.52	-76.58
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCCC4CCC[N@H+]43)C2)C=C1	REAL300006083904	1	51	0.0	-83.69	366.95	8.47	-75.22
C[NH+](C)CCN1C=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C=N1	REAL300006083906	0	50	0.0	-102.39	395.97	7.65	-94.74
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C2)C=C1	REAL300006083917	0	56	0.0	-99.72	429.63	9.80	-89.92
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C2)C=C1	REAL300006083917	1	56	0.0	-92.34	428.37	9.75	-82.59
CC(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006083922	1	54	0.0	-67.83	408.24	10.76	-57.07
CC(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006083922	1	54	0.0	-89.89	407.96	10.76	-79.13
CCC(CC)C(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+]1CCOCC1	REAL300006083940	1	60	0.0	-84.40	414.94	8.65	-75.75
CCCC(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+](C)C	REAL300006083941	0	49	0.0	-86.70	365.95	8.26	-78.44
O=C([O-])C1=NN(C2CCCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C2)C=C1	REAL300006083942	0	57	0.0	-95.42	438.37	11.71	-83.71
O=C([O-])C1=NN(C2CCCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C2)C=C1	REAL300006083942	1	57	0.0	-95.97	439.31	11.76	-84.21
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)=N1	REAL300006083957	0	50	0.0	-83.93	395.27	8.25	-75.68
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083958	0	50	0.0	-79.58	391.04	7.61	-71.97
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC[N@@H+]1C	REAL300006083961	0	47	0.0	-91.43	347.29	7.69	-83.74
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC[N@H+]1C	REAL300006083961	1	47	0.0	-93.62	355.13	7.65	-85.97
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083963	1	51	0.0	-84.30	399.80	9.72	-74.58
CC[C@@H]1[C@@H](C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC[N@@H+]1C	REAL300006083966	0	50	0.0	-90.67	370.79	8.07	-82.60
CC[C@@H]1[C@@H](C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC[N@H+]1C	REAL300006083966	1	50	0.0	-90.86	371.17	8.28	-82.58
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)=NN1	REAL300006083968	1	51	0.0	-83.18	396.36	7.80	-75.38
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)=NN1	REAL300006083968	1	51	0.0	-90.25	389.14	7.21	-83.04
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083969	1	46	0.0	-85.97	358.89	8.20	-77.77
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083969	1	46	0.0	-87.81	365.18	8.58	-79.23
CC1C[N@H+](C)CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)O1	REAL300006083975	1	48	0.0	-106.45	367.84	7.40	-99.05
CC1C[N@@H+](C)CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)O1	REAL300006083975	1	48	0.0	-88.37	360.10	7.22	-81.15
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C2)C=C1	REAL300006083982	1	53	0.0	-84.60	406.88	8.94	-75.66
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C2)C=C1	REAL300006083982	1	53	0.0	-83.81	406.01	8.72	-75.09
O=C([O-])C1=NN(C2CCCN(C(=O)C[NH+]3CCCC3)C2)C=C1	REAL300006083985	0	44	0.0	-87.70	337.97	7.56	-80.14
CC1=[NH+]C=CN1CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083987	1	42	0.0	-84.61	341.82	7.98	-76.63
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006083989	0	51	0.0	-91.93	382.70	6.97	-84.96
CC1CC[NH+](CC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006084008	0	50	0.0	-89.33	376.40	8.94	-80.39
CC[N@@H+]1CCOC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006084019	1	48	0.0	-94.54	357.55	7.17	-87.37
CC[N@H+]1CCOC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006084019	1	48	0.0	-94.53	357.53	7.18	-87.35
O=C([O-])C1=NN(C2CCCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C2)C=C1	REAL300006084056	0	57	0.0	-88.59	415.54	10.25	-78.34
O=C([O-])C1=NN(C2CCCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C2)C=C1	REAL300006084056	1	57	0.0	-91.33	416.92	10.25	-81.08
C[N@@H+]1CCCC1CCC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084062	0	50	0.0	-94.35	381.24	8.99	-85.36
C[N@H+]1CCCC1CCC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084062	1	50	0.0	-88.84	375.74	8.52	-80.32
O=C([O-])C1=NN(C2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C=C1	REAL300006084075	0	51	0.0	-103.41	360.19	8.07	-95.34
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084077	0	48	0.0	-85.63	354.73	3.85	-81.78
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084077	1	48	0.0	-82.68	355.68	3.95	-78.73
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)C=C1	REAL300006084078	0	51	0.0	-83.28	378.24	9.22	-74.06
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC4CCCC[N@H+]43)C2)C=C1	REAL300006084078	1	51	0.0	-85.75	374.13	8.92	-76.83
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084085	0	54	0.0	-89.91	385.56	7.03	-82.88
CC[NH+](CC)CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084101	0	46	0.0	-86.54	345.39	7.53	-79.01
CC(C)[NH+]1CCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006084103	0	53	0.0	-68.45	391.22	9.16	-59.29
O=C([O-])C1=NN(C2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C=C1	REAL300006084184	0	45	0.0	-93.05	338.00	6.71	-86.34
CCC(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+](C)C	REAL300006084187	0	46	0.0	-83.88	338.93	7.26	-76.62
O=C([O-])C1=NN(C2CCCN(C(=O)C34CC[N@H+](C3)CCC4)C2)C=C1	REAL300006084195	0	48	0.0	-101.93	344.14	7.17	-94.76
O=C([O-])C1=NN(C2CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C=C1	REAL300006084195	1	48	0.0	-91.64	347.40	7.29	-84.35
CC1CCC(C)[NH+]1CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084240	0	50	0.0	-85.04	370.95	8.45	-76.59
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)=C1	REAL300006084241	0	50	0.0	-88.90	391.49	9.59	-79.31
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C2)C=C1	REAL300006084242	0	57	0.0	-95.99	434.55	11.58	-84.41
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C2)C=C1	REAL300006084242	1	57	0.0	-93.85	424.36	11.41	-82.44
C[NH+](C)C1(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CCC1	REAL300006084280	0	47	0.0	-91.47	338.60	7.41	-84.06
C#CC[NH+]1CCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006084309	0	49	0.0	-71.49	382.08	9.17	-62.32
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084311	0	53	0.0	-88.55	385.76	9.08	-79.47
CCC[N@H+]1CCCCC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084311	1	53	0.0	-84.56	382.43	8.89	-75.67
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084312	0	50	0.0	-73.22	382.93	9.86	-63.36
CC[NH+]1CCN(CCC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006084314	0	55	0.0	-89.40	411.53	7.07	-82.33
CCN1CC[NH+](CCC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006084314	1	55	0.0	-92.04	412.50	7.16	-84.88
CC(C)[N@H+](C)CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084315	0	46	0.0	-85.53	348.26	7.65	-77.88
CC(C)[N@@H+](C)CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084315	1	46	0.0	-85.59	348.23	7.66	-77.93
CC(C)C(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+]1CCCCC1	REAL300006084316	0	56	0.0	-87.26	402.49	9.79	-77.47
C[NH+](C)C(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1=CC=CC=C1	REAL300006084317	1	50	0.0	-83.11	381.99	9.66	-73.45
O=C([O-])C1=NN(C2CCCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C2)C=C1	REAL300006084321	0	55	0.0	-73.79	424.81	7.77	-66.02
O=C([O-])C1=NN(C2CCCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C2)C=C1	REAL300006084321	1	55	0.0	-91.76	425.04	7.85	-83.91
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084326	1	51	0.0	-82.40	398.96	9.62	-72.78
C[NH+](C)CC1=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)OC2=CC=CC=C21	REAL300006084328	0	53	0.0	-80.64	409.16	10.16	-70.48
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)C=C1	REAL300006084334	0	54	0.0	-85.72	393.08	9.79	-75.93
O=C([O-])C1=NN(C2CCCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)C=C1	REAL300006084334	1	54	0.0	-88.87	389.30	9.94	-78.93
CC[N@H+](CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1CC1	REAL300006084336	0	47	0.0	-84.93	362.94	8.49	-76.44
CC[N@@H+](CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)C1CC1	REAL300006084336	1	47	0.0	-85.78	360.23	8.45	-77.33
CC(C)C(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+]1CC(C)OC(C)C1	REAL300006084363	1	60	0.0	-84.04	418.19	8.62	-75.42
CC(C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+]1CCCCCC1	REAL300006084364	0	53	0.0	-83.53	381.47	8.88	-74.65
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084368	0	44	0.0	-84.41	336.01	7.29	-77.12
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084368	1	44	0.0	-85.04	332.19	6.99	-78.05
CC(C)(C)[NH2+]CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084451	0	46	0.0	-86.82	352.76	6.19	-80.63
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)O1	REAL300006084453	0	53	0.0	-94.65	406.37	9.33	-85.32
O=C([O-])C1=NN(C2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C=C1	REAL300006084454	0	53	0.0	-91.13	405.17	9.81	-81.32
CC1=CC=C(N2CCC(C(=O)N3CCCC(N4C=CC(C(=O)[O-])=N4)C3)CC2)[NH+]=C1	REAL300006084456	1	56	0.0	-65.34	426.39	9.39	-55.95
C[N@H+](CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)CC1=CC=CC=C1	REAL300006084457	1	50	0.0	-93.63	390.47	10.05	-83.58
C[N@@H+](CC(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)CC1=CC=CC=C1	REAL300006084457	1	50	0.0	-93.49	390.43	10.03	-83.46
CC(C)[C@@H](C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1)[NH+](C)C	REAL300006084468	0	49	0.0	-86.12	356.30	8.10	-78.02
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)C=C1	REAL300006084486	1	45	0.0	-92.99	369.72	7.51	-85.48
C[NH+](C)CC1=CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)=NO1	REAL300006084514	1	46	0.0	-85.72	369.36	7.71	-78.01
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084518	0	57	0.0	-99.64	435.21	11.32	-88.32
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084518	1	57	0.0	-101.24	434.60	11.32	-89.92
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084531	0	50	0.0	-83.97	368.22	8.35	-75.62
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084531	1	50	0.0	-86.17	361.06	8.54	-77.63
C[NH+]1CCC(OCC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006084554	0	51	0.0	-94.07	393.45	8.59	-85.48
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C2)C=C1	REAL300006084558	0	54	0.0	-95.57	415.67	10.03	-85.54
CCC[N@@H+]1CCCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006084744	0	53	0.0	-67.10	387.85	9.49	-57.61
CCC[N@H+]1CCCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006084744	1	53	0.0	-67.88	396.07	9.32	-58.56
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084775	0	53	0.0	-85.17	393.91	9.35	-75.82
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006084775	1	53	0.0	-87.78	385.55	9.85	-77.93
O=C([O-])C1=NN(C2CCCN(C(=O)C[NH+]3CCC(CO)CC3)C2)C=C1	REAL300006084776	0	51	0.0	-89.80	387.23	5.63	-84.17
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085001	0	53	0.0	-66.82	392.02	9.14	-57.68
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085001	1	53	0.0	-89.30	392.66	9.18	-80.12
C[N@@H+]1CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C(C(F)(F)F)C1	REAL300006085002	0	47	0.0	-98.41	373.90	7.98	-90.43
C[N@H+]1CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C(C(F)(F)F)C1	REAL300006085002	1	47	0.0	-100.56	365.00	8.72	-91.84
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)N1	REAL300006085028	1	48	0.0	-83.16	384.67	7.79	-75.37
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)=C1	REAL300006085512	0	53	0.0	-88.55	414.57	10.46	-78.09
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C=C1	REAL300006085519	0	54	0.0	-94.53	421.86	9.41	-85.12
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085655	0	47	0.0	-89.43	362.74	8.16	-81.27
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)CC1	REAL300006085659	0	53	0.0	-84.87	382.70	8.92	-75.95
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(N4C=CC(C(=O)[O-])=N4)C3)=CN21	REAL300006085663	0	45	0.0	-88.00	369.58	9.56	-78.44
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085724	0	56	0.0	-93.78	414.57	10.09	-83.69
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085724	1	56	0.0	-88.44	411.80	9.95	-78.49
CC[N@@H+]1CCCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085725	0	50	0.0	-94.57	375.87	8.64	-85.93
CC[N@H+]1CCCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085725	1	50	0.0	-88.96	375.46	8.65	-80.31
C[N@@H+]1CCCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085730	0	47	0.0	-68.91	348.88	8.07	-60.84
C[N@H+]1CCCC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085730	1	47	0.0	-92.58	358.34	8.00	-84.58
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)O1	REAL300006085732	1	47	0.0	-96.80	374.08	8.16	-88.64
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085738	0	56	0.0	-104.73	390.09	8.55	-96.18
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C1	REAL300006085738	1	56	0.0	-91.66	394.22	9.04	-82.62
O=C([O-])C1=NN(C2CCCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)C=C1	REAL300006085741	1	49	0.0	-91.77	366.90	9.76	-82.01
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CC=C3C(F)(F)F)C2)C1	REAL300006085819	0	50	0.0	-46.21	382.87	10.56	-35.65
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CC=C3C(F)(F)F)C2)C1	REAL300006085819	1	50	0.0	-46.61	383.32	10.59	-36.02
O=C([O-])C1CCCN(CC(=O)NC2CCOCCC2(F)F)C1	REAL300006085955	0	44	0.0	-46.09	326.55	5.47	-40.62
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCOCCC2(F)F)C1	REAL300006085955	1	44	0.0	-46.92	324.95	5.70	-41.22
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCOCCC2(F)F)C1	REAL300006085955	1	44	0.0	-46.09	326.55	5.47	-40.62
CC(O)C12CCC(CC1)N2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006086031	0	48	0.0	-45.32	349.47	6.97	-38.35
CC(O)C12CCC(CC1)N2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006086031	1	48	0.0	-48.51	341.66	7.32	-41.19
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=C(F)C=CC=C2Cl)C1	REAL300006086126	0	47	0.0	-42.93	365.23	10.87	-32.06
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=C(F)C=CC=C2Cl)C1	REAL300006086126	1	47	0.0	-45.77	372.69	11.32	-34.45
CC1=CC(C)=CC(C(CO)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006086239	0	50	0.0	-47.52	385.21	6.38	-41.14
CC1=CC(C)=CC(C(CO)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006086239	1	50	0.0	-46.97	379.70	6.42	-40.55
O=C([O-])C1CCC[N@H+](CC(=O)NCCN2C=C(C3=COC=C3)C=N2)C1	REAL300006086365	0	47	0.0	-54.02	373.82	6.65	-47.37
O=C([O-])C1CCC[N@@H+](CC(=O)NCCN2C=C(C3=COC=C3)C=N2)C1	REAL300006086365	1	47	0.0	-59.43	375.74	7.10	-52.33
CCOC1=CC=CC=C1OC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006086493	0	55	0.0	-48.71	412.37	9.60	-39.11
CCOC1=CC=CC=C1OC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006086493	1	55	0.0	-52.81	419.29	10.03	-42.78
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006086539	0	59	0.0	-80.56	446.22	12.46	-68.10
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006086539	1	59	0.0	-79.93	446.80	12.36	-67.57
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300006086540	0	59	0.0	-88.62	446.22	12.45	-76.17
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300006086540	1	59	0.0	-88.09	446.60	12.34	-75.75
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300006086541	0	58	0.0	-67.03	444.46	10.72	-56.31
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300006086541	1	58	0.0	-66.59	444.74	10.61	-55.98
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300006086542	0	58	0.0	-91.63	442.31	10.69	-80.94
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300006086542	1	58	0.0	-91.00	442.69	10.58	-80.42
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])O1	REAL300006086543	0	56	0.0	-68.55	432.70	10.85	-57.70
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])O1	REAL300006086543	1	56	0.0	-68.01	433.23	10.76	-57.25
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300006086544	0	58	0.0	-80.91	442.42	10.60	-70.31
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300006086544	1	58	0.0	-80.42	443.07	10.63	-69.79
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006086545	0	58	0.0	-70.65	442.61	10.68	-59.97
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006086545	1	58	0.0	-70.20	444.31	10.65	-59.55
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006086546	0	64	0.0	-76.83	454.37	11.83	-65.00
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006086546	1	64	0.0	-77.28	456.05	11.81	-65.47
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300006086547	0	57	0.0	-73.53	439.29	8.86	-64.67
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300006086547	1	57	0.0	-73.00	439.89	8.79	-64.21
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300006086548	0	58	0.0	-92.68	448.28	9.08	-83.60
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300006086548	1	58	0.0	-91.21	448.67	9.03	-82.18
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006086549	0	59	0.0	-80.56	446.22	12.46	-68.10
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006086549	1	59	0.0	-79.93	446.80	12.36	-67.57
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006086550	0	62	0.0	-83.60	453.56	12.05	-71.55
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006086550	1	62	0.0	-84.54	455.21	11.94	-72.60
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300006086551	0	59	0.0	-79.40	448.95	11.28	-68.12
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300006086551	1	59	0.0	-77.36	449.67	11.30	-66.06
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300006086552	0	58	0.0	-77.23	444.06	10.70	-66.53
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300006086552	1	58	0.0	-76.12	444.41	10.65	-65.47
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006086553	0	64	0.0	-76.83	454.37	11.83	-65.00
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006086553	1	64	0.0	-77.28	456.05	11.81	-65.47
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC(=O)[O-]	REAL300006086554	0	58	0.0	-79.23	433.07	11.05	-68.18
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC(=O)[O-]	REAL300006086554	1	58	0.0	-79.81	433.56	11.00	-68.81
CC(CC(=O)[O-])CC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086555	0	61	0.0	-79.22	446.55	11.47	-67.75
CC(CC(=O)[O-])CC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086555	1	61	0.0	-78.69	445.58	11.49	-67.20
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=NOC(C(=O)[O-])=C1	REAL300006086556	0	55	0.0	-68.50	426.80	9.94	-58.56
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=NOC(C(=O)[O-])=C1	REAL300006086556	1	55	0.0	-68.38	427.77	9.94	-58.44
CC1=C(C(=O)N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2CC(C)(C)C)C=C(C(=O)[O-])O1	REAL300006086557	0	59	0.0	-72.41	450.03	11.53	-60.88
CC1=C(C(=O)N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2CC(C)(C)C)C=C(C(=O)[O-])O1	REAL300006086557	1	59	0.0	-72.89	449.40	11.58	-61.31
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2CC(C)(C)C)=C1	REAL300006086558	0	59	0.0	-68.30	451.50	11.40	-56.90
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2CC(C)(C)C)=C1	REAL300006086558	1	59	0.0	-68.79	449.56	11.39	-57.40
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006086559	0	59	0.0	-88.36	453.18	10.57	-77.79
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006086559	1	59	0.0	-86.96	453.53	10.52	-76.44
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCSCC(=O)[O-]	REAL300006086560	0	59	0.0	-77.18	456.41	11.58	-65.60
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCSCC(=O)[O-]	REAL300006086560	1	59	0.0	-76.18	456.65	11.57	-64.61
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006086561	0	58	0.0	-70.65	442.61	10.68	-59.97
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006086561	1	58	0.0	-70.20	444.31	10.65	-59.55
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)COCC(=O)[O-]	REAL300006086562	0	56	0.0	-81.31	424.92	10.27	-71.04
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)COCC(=O)[O-]	REAL300006086562	1	56	0.0	-81.69	425.81	10.23	-71.46
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086563	0	59	0.0	-78.14	448.65	10.02	-68.12
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086563	1	59	0.0	-78.27	448.32	10.03	-68.24
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006086564	0	62	0.0	-83.60	453.56	12.05	-71.55
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006086564	1	62	0.0	-84.54	455.21	11.94	-72.60
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006086565	0	58	0.0	-81.41	440.37	10.61	-70.80
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006086565	1	58	0.0	-81.45	442.06	10.59	-70.86
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006086566	0	59	0.0	-99.38	452.54	10.59	-88.79
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006086566	1	59	0.0	-98.15	452.83	10.52	-87.63
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006086567	0	59	0.0	-58.55	432.85	11.23	-47.32
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006086567	1	59	0.0	-58.57	433.66	11.40	-47.17
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006086568	0	59	0.0	-58.55	432.85	11.23	-47.32
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006086568	1	59	0.0	-58.57	433.66	11.40	-47.17
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300006086569	0	56	0.0	-59.60	420.96	10.87	-48.73
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300006086569	1	56	0.0	-81.82	418.99	11.83	-69.99
CC1=C(C(=O)N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2CC(C)(C)C)OC(C(=O)[O-])=C1	REAL300006086570	0	59	0.0	-68.29	450.84	11.43	-56.86
CC1=C(C(=O)N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2CC(C)(C)C)OC(C(=O)[O-])=C1	REAL300006086570	1	59	0.0	-67.82	450.78	11.46	-56.36
CCC(C(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086571	0	58	0.0	-62.26	425.51	10.99	-51.27
CCC(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086571	1	58	0.0	-64.81	430.01	10.84	-53.97
CC(C)C(C(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086572	0	61	0.0	-62.31	439.36	11.59	-50.72
CC(C)C(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086572	1	61	0.0	-53.84	441.41	11.51	-42.33
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300006086573	0	56	0.0	-75.77	421.61	10.93	-64.84
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300006086573	1	56	0.0	-75.58	423.15	10.88	-64.70
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006086574	0	63	0.0	-71.20	466.64	12.74	-58.46
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006086574	1	63	0.0	-79.95	470.92	12.83	-67.12
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300006086575	0	59	0.0	-79.45	438.48	11.41	-68.04
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300006086575	1	59	0.0	-77.29	438.94	11.35	-65.94
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CC(C)(C(=O)[O-])C1	REAL300006086576	0	62	0.0	-71.92	455.66	11.77	-60.15
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CC(C)(C(=O)[O-])C1	REAL300006086576	1	62	0.0	-79.50	458.34	11.85	-67.65
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(C(=O)[O-])=NN1	REAL300006086577	0	56	0.0	-84.84	429.09	8.83	-76.01
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(C(=O)[O-])=NN1	REAL300006086577	1	56	0.0	-84.03	430.91	8.81	-75.22
CCCC(C(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086578	0	61	0.0	-65.08	453.05	11.57	-53.51
CCCC(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086578	1	61	0.0	-58.37	451.51	11.62	-46.75
CN1C(C(=O)[O-])=CC=C1C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086579	0	60	0.0	-80.09	449.86	11.63	-68.46
CN1C(C(=O)[O-])=CC=C1C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086579	1	60	0.0	-81.27	448.98	11.59	-69.68
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC1(CC(=O)[O-])CC1	REAL300006086580	0	62	0.0	-74.34	457.73	12.14	-62.20
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC1(CC(=O)[O-])CC1	REAL300006086580	1	62	0.0	-71.37	460.76	12.13	-59.24
COC(C(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086581	0	56	0.0	-67.09	422.85	10.07	-57.02
COC(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086581	1	56	0.0	-59.20	422.38	10.11	-49.09
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300006086582	0	59	0.0	-61.00	441.94	11.36	-49.64
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300006086582	1	59	0.0	-81.08	435.42	12.40	-68.68
CC(C(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086583	0	55	0.0	-76.94	408.19	11.04	-65.90
CC(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CC(C)(C)C	REAL300006086583	1	55	0.0	-77.37	407.59	11.04	-66.33
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300006086584	0	62	0.0	-74.25	452.89	11.98	-62.27
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300006086584	1	62	0.0	-63.09	452.49	12.29	-50.80
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCCCC2(F)F)C1	REAL300006086641	1	46	0.0	-48.70	329.79	7.65	-41.05
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCCCC2(F)F)C1	REAL300006086641	1	46	0.0	-45.66	329.17	7.12	-38.54
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCS(=O)(=O)C2(CCOCC2)C1	REAL300006086757	0	54	0.0	-59.07	391.70	3.46	-55.61
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCS(=O)(=O)C2(CCOCC2)C1	REAL300006086757	1	54	0.0	-60.89	397.13	3.44	-57.45
COC1(C(F)(F)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300006086879	1	51	0.0	-47.23	373.77	4.98	-42.25
COC1(C(F)(F)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300006086879	1	51	0.0	-49.19	380.11	5.02	-44.17
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C3=NNC=N3)C=C2)C1	REAL300006087031	0	46	0.0	-55.49	371.85	8.31	-47.18
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C3=NNC=N3)C=C2)C1	REAL300006087031	1	46	0.0	-53.53	365.65	8.28	-45.25
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C(F)(F)F)(C(F)(F)F)C2)C1	REAL300006087222	0	44	0.0	-52.45	349.27	7.65	-44.80
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C(F)(F)F)(C(F)(F)F)C2)C1	REAL300006087222	1	44	0.0	-51.68	348.63	7.62	-44.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3=CC=NC=N3)CC2)C1	REAL300006087335	0	47	0.0	-48.26	348.21	7.22	-41.04
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3=CC=NC=N3)CC2)C1	REAL300006087335	1	47	0.0	-52.94	355.76	7.67	-45.27
CC1=NC2=C(CC[C@H]3[C@@H]2CCCN3C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N1	REAL300006087464	0	54	0.0	-55.92	386.35	9.29	-46.63
CC1=NC2=C(CC[C@H]3[C@@H]2CCCN3C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N1	REAL300006087464	1	54	0.0	-52.33	385.85	9.29	-43.04
CC1=NC2=C(N1)[C@H]1CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)[C@H]1CC2	REAL300006087464	1	54	0.0	-54.57	386.23	9.24	-45.33
CC1=NC2=C(N1)[C@H]1CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)[C@H]1CC2	REAL300006087464	1	54	0.0	-55.27	386.00	9.29	-45.98
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3(CCC3)CC2)C1	REAL300006087559	0	50	0.0	-44.15	355.60	8.29	-35.86
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3(CCC3)CC2)C1	REAL300006087559	1	50	0.0	-46.80	363.07	8.74	-38.06
CC(CC1=CN(C)C2=CC=CC=C12)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006087672	0	53	0.0	-47.30	407.29	10.99	-36.31
CC(CC1=CN(C)C2=CC=CC=C12)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006087672	1	53	0.0	-50.20	401.85	11.00	-39.20
CC(C)(C)OC1CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300006087801	0	59	0.0	-46.82	424.33	8.68	-38.14
CC(C)(C)OC1CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300006087801	1	59	0.0	-45.52	423.10	8.18	-37.34
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2CCOC3=CC=CC=C32)C1	REAL300006088011	0	51	0.0	-52.02	385.09	8.47	-43.55
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2CCOC3=CC=CC=C32)C1	REAL300006088011	1	51	0.0	-50.53	378.89	8.46	-42.07
CC1(C)C[C@H](NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC(F)=CC=C2O1	REAL300006088142	0	51	0.0	-51.17	383.99	8.46	-42.71
CC1(C)C[C@H](NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC(F)=CC=C2O1	REAL300006088142	1	51	0.0	-51.02	384.90	8.48	-42.54
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088193	0	44	0.0	-94.86	360.08	6.33	-88.53
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088193	1	44	0.0	-94.76	360.07	6.33	-88.43
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(OCC(=O)[O-])=C3)C(=O)N2)C1	REAL300006088194	0	48	0.0	-103.26	391.15	6.60	-96.66
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(OCC(=O)[O-])=C3)C(=O)N2)C1	REAL300006088194	1	48	0.0	-103.66	391.15	6.60	-97.06
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(C(=O)[O-])=C3)C(=O)N2)C1	REAL300006088195	0	44	0.0	-106.50	360.08	6.32	-100.18
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(C(=O)[O-])=C3)C(=O)N2)C1	REAL300006088195	1	44	0.0	-106.90	360.08	6.32	-100.58
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])S3)C(=O)N2)C1	REAL300006088196	0	41	0.0	-89.35	354.38	5.48	-83.87
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])S3)C(=O)N2)C1	REAL300006088196	1	41	0.0	-88.96	354.37	5.48	-83.48
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(C(=O)[O-])=N3)C(=O)N2)C1	REAL300006088197	0	43	0.0	-86.90	358.19	4.59	-82.31
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(C(=O)[O-])=N3)C(=O)N2)C1	REAL300006088197	1	43	0.0	-85.83	358.21	4.60	-81.23
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCC3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088198	0	50	0.0	-99.52	406.14	7.81	-91.71
C[N@H+]1CCC2=C(C=C(CNC(=O)CCC3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088198	1	50	0.0	-99.52	406.16	7.82	-91.70
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=NC(C(=O)[O-])=C3)C(=O)N2)C1	REAL300006088199	0	43	0.0	-107.50	356.17	4.56	-102.94
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=NC(C(=O)[O-])=C3)C(=O)N2)C1	REAL300006088199	1	43	0.0	-107.87	356.16	4.56	-103.31
C[N@@H+]1CCC2=C(C=C(CNC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088200	0	48	0.0	-98.84	394.60	7.51	-91.33
C[N@H+]1CCC2=C(C=C(CNC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088200	1	48	0.0	-98.87	394.62	7.51	-91.36
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C(=O)N2)C1	REAL300006088201	0	46	0.0	-81.89	388.24	6.99	-74.90
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C(=O)N2)C1	REAL300006088201	1	46	0.0	-81.18	388.23	6.99	-74.19
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C(=O)N2)C1	REAL300006088202	0	46	0.0	-81.89	388.24	6.99	-74.90
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C(=O)N2)C1	REAL300006088202	1	46	0.0	-81.18	388.23	6.99	-74.19
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])O3)C(=O)N2)C1	REAL300006088203	0	41	0.0	-85.86	346.51	4.71	-81.15
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])O3)C(=O)N2)C1	REAL300006088203	1	41	0.0	-85.07	346.51	4.72	-80.35
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCC3=CC=CC=C3C(=O)[O-])C(=O)N2)C1	REAL300006088204	0	50	0.0	-92.41	397.55	7.54	-84.87
C[N@H+]1CCC2=C(C=C(CNC(=O)CCC3=CC=CC=C3C(=O)[O-])C(=O)N2)C1	REAL300006088204	1	50	0.0	-92.12	397.56	7.55	-84.57
CC1=CC(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)=CC(C)=C1OCC(=O)[O-]	REAL300006088205	0	54	0.0	-96.58	435.21	8.15	-88.43
CC1=CC(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)=CC(C)=C1OCC(=O)[O-]	REAL300006088205	1	54	0.0	-96.59	435.17	8.15	-88.44
C[N@@H+]1CCC2=C(C=C(CNC(=O)CC3=CC=CC(C(=O)[O-])=C3)C(=O)N2)C1	REAL300006088206	0	47	0.0	-110.82	384.75	7.00	-103.82
C[N@H+]1CCC2=C(C=C(CNC(=O)CC3=CC=CC(C(=O)[O-])=C3)C(=O)N2)C1	REAL300006088206	1	47	0.0	-111.12	384.77	7.00	-104.12
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CC3)C(=O)N2)C1	REAL300006088207	0	41	0.0	-90.00	332.72	4.89	-85.11
C[N@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CC3)C(=O)N2)C1	REAL300006088207	1	41	0.0	-89.38	332.68	4.88	-84.50
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CC3)C(=O)N2)C1	REAL300006088208	0	41	0.0	-90.00	332.72	4.89	-85.11
C[N@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CC3)C(=O)N2)C1	REAL300006088208	1	41	0.0	-89.38	332.68	4.88	-84.50
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3CCCC(C(=O)[O-])C3)C(=O)N2)C1	REAL300006088209	0	50	0.0	-105.07	384.88	6.53	-98.54
C[N@H+]1CCC2=C(C=C(CNC(=O)C3CCCC(C(=O)[O-])C3)C(=O)N2)C1	REAL300006088209	1	50	0.0	-105.45	384.88	6.53	-98.92
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])N=C3)C(=O)N2)C1	REAL300006088210	0	43	0.0	-94.41	355.96	4.55	-89.86
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])N=C3)C(=O)N2)C1	REAL300006088210	1	43	0.0	-94.14	355.95	4.55	-89.59
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])C=N3)C(=O)N2)C1	REAL300006088211	0	43	0.0	-87.39	357.48	4.59	-82.80
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])C=N3)C(=O)N2)C1	REAL300006088211	1	43	0.0	-86.99	357.48	4.59	-82.40
C[N@@H+]1CCC2=C(C=C(CNC(=O)CC(C)(C)CC(=O)[O-])C(=O)N2)C1	REAL300006088212	0	49	0.0	-96.34	369.23	5.75	-90.59
C[N@H+]1CCC2=C(C=C(CNC(=O)CC(C)(C)CC(=O)[O-])C(=O)N2)C1	REAL300006088212	1	49	0.0	-96.51	369.25	5.76	-90.75
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])C=C3F)C(=O)N2)C1	REAL300006088213	0	44	0.0	-94.99	364.60	6.40	-88.59
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])C=C3F)C(=O)N2)C1	REAL300006088213	1	44	0.0	-95.05	364.60	6.40	-88.65
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CN=C(C(=O)[O-])C=N3)C(=O)N2)C1	REAL300006088214	0	42	0.0	-89.12	353.06	2.73	-86.39
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CN=C(C(=O)[O-])C=N3)C(=O)N2)C1	REAL300006088214	1	42	0.0	-88.80	353.08	2.73	-86.07
C[N@@H+]1CCC2=C(C=C(CNC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C(=O)N2)C1	REAL300006088215	0	50	0.0	-95.00	384.87	6.54	-88.46
C[N@H+]1CCC2=C(C=C(CNC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C(=O)N2)C1	REAL300006088215	1	50	0.0	-95.17	386.19	6.56	-88.61
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3CCC(C(=O)[O-])CC3)C(=O)N2)C1	REAL300006088216	0	50	0.0	-96.88	378.36	6.37	-90.51
C[N@H+]1CCC2=C(C=C(CNC(=O)C3CCC(C(=O)[O-])CC3)C(=O)N2)C1	REAL300006088216	1	50	0.0	-97.24	378.34	6.38	-90.86
C[N@@H+]1CCC2=C(C=C(CNC(=O)CC3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088217	0	47	0.0	-107.06	384.75	7.00	-100.06
C[N@H+]1CCC2=C(C=C(CNC(=O)CC3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088217	1	47	0.0	-107.43	384.76	7.01	-100.42
C[N@@H+]1CCC2=C(C=C(CNC(=O)CN3C=C(C(=O)[O-])N=N3)C(=O)N2)C1	REAL300006088218	0	43	0.0	-109.48	361.93	2.98	-106.50
C[N@H+]1CCC2=C(C=C(CNC(=O)CN3C=C(C(=O)[O-])N=N3)C(=O)N2)C1	REAL300006088218	1	43	0.0	-109.85	361.92	2.98	-106.87
CC1=NC(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)=CC=C1C(=O)[O-]	REAL300006088219	0	46	0.0	-87.43	373.76	5.10	-82.33
CC1=NC(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)=CC=C1C(=O)[O-]	REAL300006088219	1	46	0.0	-88.79	377.41	5.20	-83.59
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088220	0	44	0.0	-94.86	360.08	6.33	-88.53
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088220	1	44	0.0	-94.76	360.07	6.33	-88.43
C[N@@H+]1CCC2=C(C=C(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C(=O)N2)C1	REAL300006088221	0	47	0.0	-104.91	367.47	5.92	-98.99
C[N@H+]1CCC2=C(C=C(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C(=O)N2)C1	REAL300006088221	1	47	0.0	-105.22	367.43	5.93	-99.29
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(CC(=O)[O-])=C3)C(=O)N2)C1	REAL300006088222	0	47	0.0	-99.50	382.26	7.09	-92.41
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(CC(=O)[O-])=C3)C(=O)N2)C1	REAL300006088222	1	47	0.0	-99.67	382.26	7.09	-92.58
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=C(CC(=O)[O-])OC=C3)C(=O)N2)C1	REAL300006088223	0	44	0.0	-100.89	362.54	5.23	-95.66
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=C(CC(=O)[O-])OC=C3)C(=O)N2)C1	REAL300006088223	1	44	0.0	-101.09	362.53	5.23	-95.86
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300006088224	0	47	0.0	-79.13	389.39	5.86	-73.27
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300006088224	1	47	0.0	-78.05	389.38	5.86	-72.19
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC(C(=O)[O-])=CC=N3)C(=O)N2)C1	REAL300006088225	0	43	0.0	-96.95	357.67	4.61	-92.34
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC(C(=O)[O-])=CC=N3)C(=O)N2)C1	REAL300006088225	1	43	0.0	-96.98	357.67	4.61	-92.37
C[N@@H+]1CCC2=C(C=C(CNC(=O)C34CC(C(=O)[O-])(C3)C4)C(=O)N2)C1	REAL300006088226	0	45	0.0	-94.04	363.51	5.90	-88.14
C[N@H+]1CCC2=C(C=C(CNC(=O)C34CC(C(=O)[O-])(C3)C4)C(=O)N2)C1	REAL300006088226	1	45	0.0	-93.75	363.30	5.90	-87.85
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CCC3)C(=O)N2)C1	REAL300006088227	0	44	0.0	-93.09	346.87	5.31	-87.78
C[N@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CCC3)C(=O)N2)C1	REAL300006088227	1	44	0.0	-92.77	346.88	5.31	-87.46
C[N@@H+]1CCC2=C(C=C(CNC(=O)C(C)(C)C(=O)[O-])C(=O)N2)C1	REAL300006088228	0	43	0.0	-104.31	341.38	4.61	-99.70
C[N@H+]1CCC2=C(C=C(CNC(=O)C(C)(C)C(=O)[O-])C(=O)N2)C1	REAL300006088228	1	43	0.0	-103.55	339.85	5.58	-97.97
C[N@@H+]1CCC2=C(C=C(CNC(=O)CC3CCC(C(=O)[O-])CC3)C(=O)N2)C1	REAL300006088229	0	53	0.0	-98.30	396.54	6.99	-91.31
C[N@H+]1CCC2=C(C=C(CNC(=O)CC3CCC(C(=O)[O-])CC3)C(=O)N2)C1	REAL300006088229	1	53	0.0	-98.25	396.56	6.99	-91.26
C[N@@H+]1CCC2=C(C=C(CNC(=O)C34CCC(C(=O)[O-])(CC3)C4)C(=O)N2)C1	REAL300006088230	0	51	0.0	-103.52	394.05	6.71	-96.81
C[N@H+]1CCC2=C(C=C(CNC(=O)C34CCC(C(=O)[O-])(CC3)C4)C(=O)N2)C1	REAL300006088230	1	51	0.0	-103.78	394.03	6.72	-97.06
C[N@@H+]1CCC2=C(C=C(CNC(=O)C34CCC(C(=O)[O-])(CC3)CC4)C(=O)N2)C1	REAL300006088231	0	54	0.0	-95.88	403.68	7.23	-88.65
C[N@H+]1CCC2=C(C=C(CNC(=O)C34CCC(C(=O)[O-])(CC3)CC4)C(=O)N2)C1	REAL300006088231	1	54	0.0	-95.78	403.65	7.23	-88.55
C[N@@H+]1CCC2=C(C=C(CNC(=O)CC(C)(C)CC(=O)[O-])C(=O)N2)C1	REAL300006088232	0	49	0.0	-96.34	369.23	5.75	-90.59
C[N@H+]1CCC2=C(C=C(CNC(=O)CC(C)(C)CC(=O)[O-])C(=O)N2)C1	REAL300006088232	1	49	0.0	-96.51	369.25	5.76	-90.75
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCCC(=O)[O-])C(=O)N2)C1	REAL300006088233	0	43	0.0	-100.45	346.88	4.93	-95.52
C[N@H+]1CCC2=C(C=C(CNC(=O)CCCC(=O)[O-])C(=O)N2)C1	REAL300006088233	1	43	0.0	-100.62	346.90	4.93	-95.69
CC(CC(=O)[O-])CC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300006088234	0	46	0.0	-99.74	359.50	5.38	-94.36
CC(CC(=O)[O-])CC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300006088234	1	46	0.0	-99.52	359.48	5.38	-94.14
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)C(=O)N2)C1	REAL300006088235	0	46	0.0	-97.52	381.94	5.63	-91.89
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)C(=O)N2)C1	REAL300006088235	1	46	0.0	-96.82	381.94	5.63	-91.19
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)C(=O)N2)C1	REAL300006088236	0	51	0.0	-112.13	412.24	7.03	-105.10
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)C(=O)N2)C1	REAL300006088236	1	51	0.0	-106.18	412.22	7.03	-99.15
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=NOC(C(=O)[O-])=C3)C(=O)N2)C1	REAL300006088237	0	40	0.0	-86.22	340.95	3.89	-82.33
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=NOC(C(=O)[O-])=C3)C(=O)N2)C1	REAL300006088237	1	40	0.0	-86.00	340.94	3.89	-82.11
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CCCC3)C(=O)N2)C1	REAL300006088238	0	47	0.0	-80.90	362.33	6.03	-74.87
C[N@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CCCC3)C(=O)N2)C1	REAL300006088238	1	47	0.0	-96.54	364.26	6.00	-90.54
CC1=C(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C=C(C(=O)[O-])O1	REAL300006088239	0	44	0.0	-89.63	363.21	5.47	-84.16
CC1=C(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C=C(C(=O)[O-])O1	REAL300006088239	1	44	0.0	-88.97	364.81	5.50	-83.47
CC1=C(C(=O)[O-])OC(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)=C1	REAL300006088240	0	44	0.0	-86.37	364.44	5.30	-81.07
CC1=C(C(=O)[O-])OC(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)=C1	REAL300006088240	1	44	0.0	-85.61	364.43	5.30	-80.31
C[N@@H+]1CCC2=C(C=C(CNC(=O)CN3C=C(C(=O)[O-])C=N3)C(=O)N2)C1	REAL300006088241	0	44	0.0	-105.57	366.81	4.47	-101.10
C[N@H+]1CCC2=C(C=C(CNC(=O)CN3C=C(C(=O)[O-])C=N3)C(=O)N2)C1	REAL300006088241	1	44	0.0	-105.82	366.79	4.47	-101.35
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C=CC(=O)[O-])O3)C(=O)N2)C1	REAL300006088242	0	45	0.0	-87.46	379.63	5.90	-81.56
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C=CC(=O)[O-])O3)C(=O)N2)C1	REAL300006088242	1	45	0.0	-86.59	379.63	5.90	-80.69
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CC4(CCC4)C3)C(=O)N2)C1	REAL300006088243	0	51	0.0	-93.06	391.03	7.03	-86.03
C[N@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CC4(CCC4)C3)C(=O)N2)C1	REAL300006088243	1	51	0.0	-78.55	389.67	7.09	-71.46
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(OCC(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088244	0	48	0.0	-94.70	391.09	6.60	-88.10
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(OCC(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088244	1	48	0.0	-94.66	391.08	6.60	-88.06
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCSCC(=O)[O-])C(=O)N2)C1	REAL300006088245	0	44	0.0	-93.94	369.91	5.52	-88.42
C[N@H+]1CCC2=C(C=C(CNC(=O)CCSCC(=O)[O-])C(=O)N2)C1	REAL300006088245	1	44	0.0	-93.93	369.93	5.52	-88.41
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])C=N3)C(=O)N2)C1	REAL300006088246	0	43	0.0	-87.39	357.48	4.59	-82.80
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C(=O)[O-])C=N3)C(=O)N2)C1	REAL300006088246	1	43	0.0	-86.99	357.48	4.59	-82.40
C[N@@H+]1CCC2=C(C=C(CNC(=O)COCC(=O)[O-])C(=O)N2)C1	REAL300006088247	0	41	0.0	-103.09	339.01	4.18	-98.91
C[N@H+]1CCC2=C(C=C(CNC(=O)COCC(=O)[O-])C(=O)N2)C1	REAL300006088247	1	41	0.0	-103.24	339.02	4.18	-99.06
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300006088248	0	44	0.0	-92.45	362.53	3.99	-88.46
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300006088248	1	44	0.0	-93.54	362.25	3.99	-89.55
C[C@@H]1C[C@H](C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)O[C@H]1C(=O)[O-]	REAL300006088249	0	48	0.0	-100.62	382.35	5.85	-94.77
C[C@@H]1C[C@H](C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)O[C@H]1C(=O)[O-]	REAL300006088249	1	48	0.0	-100.59	382.35	5.85	-94.74
C[N@@H+]1CCC2=C(C=C(CNC(=O)C(C)(C)CCC(=O)[O-])C(=O)N2)C1	REAL300006088250	0	49	0.0	-102.05	378.04	5.87	-96.18
C[N@H+]1CCC2=C(C=C(CNC(=O)C(C)(C)CCC(=O)[O-])C(=O)N2)C1	REAL300006088250	1	49	0.0	-102.39	378.06	5.87	-96.52
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(CC(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088251	0	47	0.0	-91.74	382.27	7.10	-84.64
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(CC(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088251	1	47	0.0	-91.59	382.26	7.10	-84.49
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088252	0	48	0.0	-95.82	392.16	7.61	-88.21
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088252	1	48	0.0	-95.80	392.17	7.61	-88.19
C[N@@H+]1CCC2=C(C=C(CNC(=O)C=CC3=CC(C(=O)[O-])=CO3)C(=O)N2)C1	REAL300006088253	0	45	0.0	-96.58	379.16	5.76	-90.82
C[N@H+]1CCC2=C(C=C(CNC(=O)C=CC3=CC(C(=O)[O-])=CO3)C(=O)N2)C1	REAL300006088253	1	45	0.0	-96.63	379.17	5.76	-90.87
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC=C3CCC(=O)[O-])C(=O)N2)C1	REAL300006088254	0	50	0.0	-105.08	394.77	7.82	-97.26
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC=C3CCC(=O)[O-])C(=O)N2)C1	REAL300006088254	1	50	0.0	-108.21	395.44	7.86	-100.35
C[N@@H+]1CCC2=C(C=C(CNC(=O)COCC3=C(C(=O)[O-])N=CO3)C(=O)N2)C1	REAL300006088255	0	47	0.0	-105.09	392.84	2.07	-103.02
C[N@H+]1CCC2=C(C=C(CNC(=O)COCC3=C(C(=O)[O-])N=CO3)C(=O)N2)C1	REAL300006088255	1	47	0.0	-105.13	392.87	2.06	-103.07
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C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC4=C(C(=O)[O-])C=CC=C4S3)C(=O)N2)C1	REAL300006088302	1	47	0.0	-108.13	395.24	7.59	-100.54
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCC3=CC=CN=C3C(=O)[O-])C(=O)N2)C1	REAL300006088303	0	49	0.0	-109.17	393.67	5.79	-103.38
C[N@H+]1CCC2=C(C=C(CNC(=O)CCC3=CC=CN=C3C(=O)[O-])C(=O)N2)C1	REAL300006088303	1	49	0.0	-109.11	393.66	5.79	-103.32
C[N@@H+]1CCC2=C(C=C(CNC(=O)C34CC(C(=O)[O-])(C3)CO4)C(=O)N2)C1	REAL300006088304	0	46	0.0	-91.23	370.18	3.89	-87.34
C[N@H+]1CCC2=C(C=C(CNC(=O)C34CC(C(=O)[O-])(C3)CO4)C(=O)N2)C1	REAL300006088304	1	46	0.0	-91.10	370.14	3.90	-87.20
C[N@@H+]1CCC2=C(C=C(CNC(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088305	0	48	0.0	-98.83	394.59	7.51	-91.32
C[N@H+]1CCC2=C(C=C(CNC(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)C(=O)N2)C1	REAL300006088305	1	48	0.0	-98.88	394.60	7.50	-91.38
CC1CC1(C(=O)[O-])C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300006088306	0	44	0.0	-89.41	350.84	5.51	-83.90
CC1CC1(C(=O)[O-])C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300006088306	1	44	0.0	-90.01	350.85	5.49	-84.52
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CC4(CCC4)C3)C(=O)N2)C1	REAL300006088307	0	51	0.0	-93.06	391.03	7.03	-86.03
C[N@H+]1CCC2=C(C=C(CNC(=O)C3(C(=O)[O-])CC4(CCC4)C3)C(=O)N2)C1	REAL300006088307	1	51	0.0	-78.55	389.67	7.09	-71.46
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300006088308	0	44	0.0	-109.34	366.05	3.75	-105.59
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300006088308	1	44	0.0	-109.26	366.05	3.75	-105.51
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)C(=O)N2)C1	REAL300006088309	0	45	0.0	-87.36	385.25	5.33	-82.03
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)C(=O)N2)C1	REAL300006088309	1	45	0.0	-86.52	385.26	5.33	-81.19
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)C(=O)N2)C1	REAL300006088310	0	45	0.0	-94.75	385.43	5.46	-89.29
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)C(=O)N2)C1	REAL300006088310	1	45	0.0	-94.58	385.43	5.46	-89.12
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)C(=O)N2)C1	REAL300006088311	0	45	0.0	-88.18	376.60	4.47	-83.71
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)C(=O)N2)C1	REAL300006088311	1	45	0.0	-87.39	376.62	4.47	-82.92
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300006088312	0	47	0.0	-102.28	370.21	6.88	-95.40
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300006088312	1	47	0.0	-102.47	370.20	6.88	-95.59
C[N@@H+]1CCC2=C(C=C(CNC(=O)C=CC3=CC=C(C(=O)[O-])N=C3)C(=O)N2)C1	REAL300006088313	0	47	0.0	-100.02	390.38	5.73	-94.29
C[N@H+]1CCC2=C(C=C(CNC(=O)C=CC3=CC=C(C(=O)[O-])N=C3)C(=O)N2)C1	REAL300006088313	1	47	0.0	-99.95	390.38	5.74	-94.21
C=C1CCC1(C(=O)[O-])C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300006088314	0	45	0.0	-81.43	360.29	5.78	-75.65
C=C1CCC1(C(=O)[O-])C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300006088314	1	45	0.0	-80.52	360.26	5.79	-74.73
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC(C(=O)[O-])=CS3)C(=O)N2)C1	REAL300006088315	0	41	0.0	-101.54	353.29	5.33	-96.21
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC(C(=O)[O-])=CS3)C(=O)N2)C1	REAL300006088315	1	41	0.0	-101.65	353.29	5.33	-96.32
C[N@@H+]1CCC2=C(C=C(CNC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300006088316	0	49	0.0	-114.19	380.38	4.65	-109.54
C[N@H+]1CCC2=C(C=C(CNC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300006088316	1	49	0.0	-114.85	380.32	4.72	-110.13
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)C(=O)N2)C1	REAL300006088317	0	50	0.0	-101.03	396.08	8.40	-92.63
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)C(=O)N2)C1	REAL300006088317	1	50	0.0	-101.10	396.07	8.39	-92.71
CC(C)[C@]1(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C[C@H]1C(=O)[O-]	REAL300006088318	0	50	0.0	-76.68	385.54	6.77	-69.91
CC(C)[C@]1(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C[C@H]1C(=O)[O-]	REAL300006088318	1	50	0.0	-86.07	389.88	6.31	-79.76
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300006088319	0	50	0.0	-108.44	401.46	7.47	-100.97
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300006088319	1	50	0.0	-109.17	401.85	7.52	-101.65
C[N@@H+]1CCC2=C(C=C(CNC(=O)CC3=CC(C(=O)[O-])=CS3)C(=O)N2)C1	REAL300006088320	0	44	0.0	-102.34	376.30	6.14	-96.20
C[N@H+]1CCC2=C(C=C(CNC(=O)CC3=CC(C(=O)[O-])=CS3)C(=O)N2)C1	REAL300006088320	1	44	0.0	-102.54	376.29	6.14	-96.40
C[N@@H+]1CCC2=C(C=C(CNC(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)C(=O)N2)C1	REAL300006088321	0	47	0.0	-110.09	389.30	7.03	-103.06
C[N@H+]1CCC2=C(C=C(CNC(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)C(=O)N2)C1	REAL300006088321	1	47	0.0	-110.51	389.31	7.04	-103.47
C[N@@H+]1CCC2=C(C=C(CNC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)C(=O)N2)C1	REAL300006088322	0	47	0.0	-108.97	366.72	5.86	-103.11
C[N@H+]1CCC2=C(C=C(CNC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)C(=O)N2)C1	REAL300006088322	1	47	0.0	-109.20	366.75	5.86	-103.34
C[N@@H+]1CCC2=C(C=C(CNC(=O)C34CCC(C(=O)[O-])(CC3)CC4)C(=O)N2)C1	REAL300006088323	0	54	0.0	-95.88	403.68	7.23	-88.65
C[N@H+]1CCC2=C(C=C(CNC(=O)C34CCC(C(=O)[O-])(CC3)CC4)C(=O)N2)C1	REAL300006088323	1	54	0.0	-95.78	403.65	7.23	-88.55
O=C([O-])C1CCC[N@H+](CC(=O)NCCCOCC(F)F)C1	REAL300006088367	0	43	0.0	-52.54	346.83	5.52	-47.02
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCOCC(F)F)C1	REAL300006088367	1	43	0.0	-51.89	346.19	5.50	-46.39
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300006088428	1	43	0.0	-66.76	342.56	8.55	-58.21
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C2	REAL300006088429	1	47	0.0	-76.21	373.51	8.81	-67.40
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC(C(=O)[O-])=C1)C2	REAL300006088430	1	43	0.0	-78.14	342.45	8.52	-69.62
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])S1)C2	REAL300006088431	1	40	0.0	-61.13	334.57	7.68	-53.45
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC(C(=O)[O-])=N1)C2	REAL300006088432	1	42	0.0	-48.74	338.24	7.65	-41.09
CC(SC1=CC=CC=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1)C(=O)[O-]	REAL300006088433	1	50	0.0	-82.94	396.34	10.33	-72.61
CCOC1=CC(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=CC=C1OCC(=O)[O-]	REAL300006088434	1	54	0.0	-74.09	423.39	9.43	-64.66
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)C2	REAL300006088435	1	49	0.0	-74.60	389.11	10.40	-64.20
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=NC(C(=O)[O-])=C1)C2	REAL300006088436	1	42	0.0	-79.65	338.25	6.77	-72.88
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300006088437	1	47	0.0	-75.25	376.44	10.09	-65.16
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300006088438	1	45	0.0	-68.61	369.46	9.14	-59.47
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300006088439	1	45	0.0	-68.61	369.46	9.14	-59.47
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300006088440	1	50	0.0	-66.72	397.95	9.52	-57.20
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])O1)C2	REAL300006088441	1	40	0.0	-51.82	326.22	7.25	-44.57
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCC1=CC=CC=C1C(=O)[O-])C2	REAL300006088442	1	49	0.0	-63.69	380.19	10.14	-53.55
CC1=CC(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006088443	1	53	0.0	-71.40	416.33	10.30	-61.10
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1=CC=CC(C(=O)[O-])=C1)C2	REAL300006088444	1	46	0.0	-81.82	367.71	9.58	-72.24
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CCCC(C(=O)[O-])C1)C2	REAL300006088445	1	49	0.0	-85.03	358.20	8.64	-76.39
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])N=C1)C2	REAL300006088446	1	42	0.0	-71.82	336.84	6.70	-65.12
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300006088447	1	42	0.0	-56.87	337.17	7.62	-49.25
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC(C)(C)CC(=O)[O-])C2	REAL300006088448	1	48	0.0	-71.55	352.20	8.36	-63.19
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1F)C2	REAL300006088449	1	43	0.0	-66.67	349.08	8.60	-58.07
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CN=C(C(=O)[O-])C=N1)C2	REAL300006088450	1	41	0.0	-60.06	332.73	5.77	-54.29
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C2	REAL300006088451	1	49	0.0	-68.75	367.77	8.93	-59.82
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CCC(C(=O)[O-])CC1)C2	REAL300006088452	1	49	0.0	-69.95	364.72	8.80	-61.15
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300006088453	1	46	0.0	-86.18	367.71	9.59	-76.59
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CN1C=C(C(=O)[O-])N=N1)C2	REAL300006088454	1	42	0.0	-87.61	344.92	5.52	-82.09
CC1=NC(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=CC=C1C(=O)[O-]	REAL300006088455	1	45	0.0	-57.62	353.22	8.08	-49.54
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300006088456	1	43	0.0	-66.76	342.56	8.55	-58.21
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300006088457	1	46	0.0	-79.98	346.59	8.25	-71.73
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)C2	REAL300006088458	1	46	0.0	-64.05	364.62	9.30	-54.75
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C(CC(=O)[O-])OC=C1)C2	REAL300006088459	1	43	0.0	-79.22	345.16	7.55	-71.67
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088460	1	46	0.0	-72.77	372.66	8.38	-64.39
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CC=N1)C2	REAL300006088461	1	42	0.0	-70.69	337.37	7.64	-63.05
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C13CC(C(=O)[O-])(C1)C3)C2	REAL300006088462	1	44	0.0	-66.70	341.10	8.22	-58.48
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CCC1)C2	REAL300006088463	1	43	0.0	-60.59	326.31	7.38	-53.21
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1CCC(C(=O)[O-])CC1)C2	REAL300006088464	1	52	0.0	-62.13	380.85	9.63	-52.50
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)C3)C2	REAL300006088465	1	50	0.0	-76.58	368.07	8.94	-67.64
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300006088466	1	53	0.0	-70.37	378.10	9.21	-61.16
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC(C)(C)CC(=O)[O-])C2	REAL300006088467	1	48	0.0	-71.55	352.20	8.36	-63.19
CC(CC(=O)[O-])CC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088468	1	45	0.0	-74.30	342.45	7.97	-66.33
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=NC3=C(C(=O)[O-])C=NN31)C2	REAL300006088469	1	45	0.0	-80.19	371.19	7.55	-72.64
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300006088470	1	50	0.0	-73.64	399.19	9.20	-64.44
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=NOC(C(=O)[O-])=C1)C2	REAL300006088471	1	39	0.0	-57.34	321.11	6.71	-50.63
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CCCC1)C2	REAL300006088472	1	46	0.0	-60.89	336.00	7.84	-53.05
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1CCCC3=CC=C(C(=O)[O-])C=C31)C2	REAL300006088473	1	56	0.0	-63.63	421.95	11.79	-51.84
CC1=C(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)C=C(C(=O)[O-])O1	REAL300006088474	1	43	0.0	-59.73	345.98	7.77	-51.96
CC1=C(C(=O)[O-])OC(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=C1	REAL300006088475	1	43	0.0	-51.96	344.15	7.83	-44.13
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CN1C=C(C(=O)[O-])C=N1)C2	REAL300006088476	1	43	0.0	-83.22	349.75	6.99	-76.23
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C2	REAL300006088477	1	44	0.0	-56.15	359.77	8.54	-47.61
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300006088478	1	50	0.0	-58.57	372.77	9.22	-49.35
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2	REAL300006088479	1	47	0.0	-68.19	373.56	8.83	-59.36
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300006088480	1	52	0.0	-77.64	410.15	9.40	-68.24
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCSCC(=O)[O-])C2	REAL300006088481	1	43	0.0	-68.31	352.87	8.10	-60.21
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300006088482	1	42	0.0	-56.87	337.17	7.62	-49.25
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=NN1C)C2	REAL300006088483	1	43	0.0	-63.14	342.23	6.21	-56.93
C[C@@H]1C[C@H](C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)O[C@H]1C(=O)[O-]	REAL300006088484	1	47	0.0	-73.66	362.06	8.26	-65.40
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C(C)(C)CCC(=O)[O-])C2	REAL300006088485	1	48	0.0	-78.68	353.00	7.91	-70.77
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C2	REAL300006088486	1	46	0.0	-59.86	364.72	9.33	-50.53
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C2	REAL300006088487	1	47	0.0	-73.10	374.65	9.85	-63.25
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C2	REAL300006088488	1	44	0.0	-72.29	361.10	8.34	-63.95
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC=C1CCC(=O)[O-])C2	REAL300006088489	1	49	0.0	-77.68	380.68	10.05	-67.63
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C2	REAL300006088490	1	46	0.0	-83.95	375.84	4.68	-79.27
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C2	REAL300006088491	1	44	0.0	-62.23	362.53	8.68	-53.55
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300006088492	1	46	0.0	-79.98	346.59	8.25	-71.73
CC1=CC=C(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)C=C1C(=O)[O-]	REAL300006088493	1	46	0.0	-80.01	357.01	9.01	-71.00
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C2	REAL300006088494	1	42	0.0	-53.30	336.12	6.69	-46.61
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088495	1	45	0.0	-55.52	356.26	7.33	-48.19
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CN1C=CC(C(=O)[O-])=N1)C2	REAL300006088496	1	43	0.0	-95.46	349.15	7.02	-88.44
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C2	REAL300006088497	1	49	0.0	-95.33	392.76	8.45	-86.88
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C2	REAL300006088498	1	43	0.0	-78.41	328.70	7.76	-70.65
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C2	REAL300006088499	1	50	0.0	-84.15	382.86	8.67	-75.48
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C2	REAL300006088500	1	50	0.0	-73.04	385.88	7.72	-65.32
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C2	REAL300006088501	1	43	0.0	-78.41	328.70	7.76	-70.65
CC1=C(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)OC(C(=O)[O-])=C1	REAL300006088502	1	43	0.0	-52.88	344.67	8.00	-44.88
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@@H]1C3C=CC(CC3)[C@@H]1C(=O)[O-])C2	REAL300006088503	1	51	0.0	-47.62	361.44	10.04	-37.58
CC(C)C(C(=O)[O-])C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088504	1	45	0.0	-52.96	334.62	7.67	-45.29
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C2	REAL300006088505	1	49	0.0	-72.34	355.72	9.35	-62.99
CN(C)C1=NC=CC2=C1CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300006088506	0	51	0.0	-52.06	384.01	8.62	-43.44
CN(C)C1=NC=CC2=C1CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300006088506	1	51	0.0	-53.35	383.92	8.63	-44.72
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C2	REAL300006088507	1	50	0.0	-63.45	386.85	10.47	-52.98
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300006088508	1	50	0.0	-73.64	399.19	9.20	-64.44
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)C2	REAL300006088509	1	50	0.0	-93.28	401.10	10.98	-82.30
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CC3(CC3C(=O)[O-])C1)C2	REAL300006088510	1	47	0.0	-69.77	366.06	9.26	-60.51
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C2	REAL300006088511	1	43	0.0	-76.25	334.77	7.88	-68.37
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088512	1	49	0.0	-72.80	375.75	9.06	-63.74
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088513	1	46	0.0	-58.63	361.18	9.11	-49.52
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CC(C)(C(=O)[O-])C1)C2	REAL300006088514	1	46	0.0	-58.74	351.81	8.29	-50.45
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C(C(=O)[O-])SC=C1)C2	REAL300006088515	1	40	0.0	-73.79	332.14	8.52	-65.27
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088517	1	45	0.0	-65.86	350.49	7.22	-58.64
CCCC(C(=O)[O-])C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088518	1	45	0.0	-56.74	345.37	7.91	-48.83
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088519	1	46	0.0	-66.40	360.94	9.17	-57.23
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C2	REAL300006088520	1	43	0.0	-65.26	357.58	9.01	-56.25
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CC3(CC(C(=O)[O-])C3)C1)C2	REAL300006088521	1	50	0.0	-71.26	382.44	9.68	-61.58
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=C1	REAL300006088522	1	46	0.0	-47.16	367.98	6.98	-40.18
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])N1C)C2	REAL300006088523	1	44	0.0	-69.84	342.39	7.73	-62.11
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC=CC1)C2	REAL300006088524	1	44	0.0	-48.23	331.67	7.87	-40.36
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C2	REAL300006088525	1	49	0.0	-66.90	386.12	10.14	-56.76
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1(CC(=O)[O-])CC1)C2	REAL300006088527	1	46	0.0	-62.59	356.66	8.62	-53.97
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CC3(C1)C(C(=O)[O-])C3(F)F)C2	REAL300006088528	1	47	0.0	-58.29	376.73	9.38	-48.91
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CSC(C(=O)[O-])=N1)C2	REAL300006088529	1	39	0.0	-46.47	329.40	6.53	-39.94
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C2	REAL300006088530	1	43	0.0	-78.77	334.03	8.65	-70.12
CC1=C(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)C=C(C(=O)[O-])S1	REAL300006088531	1	43	0.0	-57.64	353.11	8.37	-49.27
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC3=C(SC(C(=O)[O-])=C3)S1)C2	REAL300006088532	1	43	0.0	-72.69	369.43	9.02	-63.67
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=C1	REAL300006088533	1	47	0.0	-70.18	382.27	8.17	-62.01
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088534	1	46	0.0	-57.57	367.25	9.15	-48.42
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC3=C(C(=O)[O-])C=CC=C3S1)C2	REAL300006088535	1	46	0.0	-80.11	375.65	9.79	-70.32
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C2	REAL300006088536	1	48	0.0	-69.61	376.67	8.38	-61.23
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C13CC(C(=O)[O-])(C1)CO3)C2	REAL300006088537	1	45	0.0	-64.12	350.77	6.72	-57.40
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C2	REAL300006088538	1	47	0.0	-75.30	376.36	10.07	-65.23
CC1CC1(C(=O)[O-])C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088539	1	43	0.0	-60.12	335.15	7.78	-52.34
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300006088540	1	50	0.0	-58.57	372.77	9.22	-49.35
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C(C(=O)[O-])C=NN1C)C2	REAL300006088541	1	43	0.0	-65.29	349.67	6.20	-59.09
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CS3)C2	REAL300006088542	1	44	0.0	-55.83	364.64	8.07	-47.76
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC3=C(C=C(C(=O)[O-])S3)N1)C2	REAL300006088543	1	44	0.0	-69.51	364.84	8.21	-61.30
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CO3)C2	REAL300006088544	1	44	0.0	-57.51	355.95	7.21	-50.30
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088545	1	46	0.0	-73.10	355.27	9.06	-64.04
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C2	REAL300006088546	1	46	0.0	-75.25	372.22	8.30	-66.95
C=C1CCC1(C(=O)[O-])C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088547	1	44	0.0	-50.28	333.67	7.64	-42.64
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CS1)C2	REAL300006088548	1	40	0.0	-74.70	333.57	7.52	-67.18
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])C2	REAL300006088549	1	48	0.0	-70.49	361.84	7.56	-62.93
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)C2	REAL300006088550	1	49	0.0	-72.14	381.36	10.59	-61.55
CC(C)[C@]1(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)C[C@H]1C(=O)[O-]	REAL300006088551	1	49	0.0	-64.04	366.09	8.54	-55.50
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006088552	1	49	0.0	-87.46	384.45	10.05	-77.41
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1=CC(C(=O)[O-])=CS1)C2	REAL300006088553	1	43	0.0	-83.18	359.29	8.74	-74.44
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C2	REAL300006088554	1	46	0.0	-89.32	372.28	9.61	-79.71
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C2	REAL300006088555	1	46	0.0	-67.45	349.23	8.39	-59.06
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C3CCCCC3=C(C(=O)[O-])S1)C2	REAL300006088556	1	50	0.0	-61.97	391.08	10.09	-51.88
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300006088557	1	53	0.0	-70.37	378.10	9.21	-61.16
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CO)CC23CCC3)C1	REAL300006088600	0	48	0.0	-49.59	359.66	5.34	-44.25
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(CO)CC23CCC3)C1	REAL300006088600	1	48	0.0	-48.69	368.38	5.18	-43.51
O=C([O-])[C@@H]1CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006089528	0	47	0.0	-82.86	356.52	10.68	-72.18
CC1=NC(C[NH+]2CCC(C(=O)N3CCC[C@H]3C(=O)[O-])CC2)=CS1	REAL300006090577	1	46	0.0	-83.88	363.89	8.43	-75.45
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300006090611	0	50	0.0	-84.51	390.85	10.13	-74.38
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300006090616	0	50	0.0	-91.00	388.55	11.88	-79.12
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300006090616	1	50	0.0	-64.82	382.98	11.75	-53.07
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006090700	0	40	0.0	-61.54	317.35	7.29	-54.25
O=C([O-])[C@@H]1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006090717	0	48	0.0	-60.39	336.68	7.34	-53.05
CC[N@H+](CC1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300006090729	0	49	0.0	-88.79	352.09	10.03	-78.76
CC[N@@H+](CC1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300006090729	1	49	0.0	-57.97	344.86	9.30	-48.67
O=C([O-])[C@@H]1CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006090743	0	44	0.0	-71.20	336.84	9.56	-61.64
O=C([O-])[C@@H]1CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006090743	1	44	0.0	-72.22	337.16	9.65	-62.57
O=C([O-])[C@@H]1CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006090744	0	45	0.0	-84.94	341.69	9.32	-75.62
O=C([O-])[C@@H]1CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006090762	0	48	0.0	-73.39	332.41	7.23	-66.16
O=C([O-])[C@@H]1CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006090769	0	50	0.0	-63.99	370.45	11.66	-52.33
O=C([O-])[C@@H]1CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006090769	1	50	0.0	-59.88	368.16	11.21	-48.67
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006090803	0	44	0.0	-88.92	335.15	9.73	-79.19
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006090806	0	47	0.0	-57.02	353.83	10.10	-46.92
CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3C(=O)[O-])CC2)CC1	REAL300006090811	0	55	0.0	-80.19	386.27	8.16	-72.03
CC1C[NH+](CC2=CC=C(C(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300006090816	1	51	0.0	-93.39	386.26	9.57	-83.82
O=C([O-])[C@@H]1CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006090825	1	48	0.0	-79.41	360.72	9.46	-69.95
O=C([O-])[C@@H]1CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006090825	1	48	0.0	-87.26	365.76	9.76	-77.50
CC1=C(C(=O)N2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006090838	1	38	0.0	-85.64	309.66	6.72	-78.92
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006090841	0	47	0.0	-62.77	353.78	10.11	-52.66
O=C([O-])[C@@H]1CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006090852	1	45	0.0	-78.01	346.39	9.18	-68.83
O=C([O-])[C@@H]1CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006090852	1	45	0.0	-65.29	340.71	8.90	-56.39
CC(C(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006090860	0	53	0.0	-61.00	386.53	11.37	-49.63
COCCOCC[N@H+](C)CCC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300006090877	0	47	0.0	-71.80	364.95	5.98	-65.82
COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300006090877	1	47	0.0	-71.73	364.96	5.99	-65.74
O=C([O-])[C@@H]1CCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006090883	0	52	0.0	-78.47	391.08	9.50	-68.97
CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300006090899	0	51	0.0	-78.63	370.99	7.03	-71.60
CC(C)N1CC[NH+](CCCC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300006090899	1	51	0.0	-74.52	373.42	7.38	-67.14
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=C1	REAL300006090903	0	52	0.0	-74.61	390.51	9.34	-65.27
O=C([O-])[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006090904	0	49	0.0	-74.46	369.59	8.71	-65.75
O=C([O-])[C@@H]1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006090907	0	46	0.0	-73.80	348.48	8.50	-65.30
O=C([O-])[C@@H]1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006090907	1	46	0.0	-69.70	340.48	8.58	-61.12
CC(C(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006090910	1	44	0.0	-64.64	334.11	9.56	-55.08
CC(C(=O)N1CCC[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006090910	1	44	0.0	-64.29	327.59	9.55	-54.74
O=C([O-])[C@@H]1CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006090924	0	47	0.0	-78.91	361.81	10.59	-68.32
O=C([O-])[C@@H]1CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006090924	1	47	0.0	-80.31	363.55	10.52	-69.79
O=C([O-])[C@@H]1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006090933	0	47	0.0	-73.56	359.93	10.32	-63.24
O=C([O-])[C@@H]1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006090933	1	47	0.0	-63.90	352.06	10.41	-53.49
O=C([O-])[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006090935	0	48	0.0	-74.16	366.82	8.09	-66.07
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC[C@H]3C(=O)[O-])=C2)CC1	REAL300006090958	0	49	0.0	-66.45	364.94	7.58	-58.87
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300006090959	0	49	0.0	-69.41	370.83	7.68	-61.73
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300006090959	1	49	0.0	-89.92	369.01	7.93	-81.99
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300006090960	0	50	0.0	-64.52	371.40	9.27	-55.25
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006090982	0	51	0.0	-91.27	384.16	7.77	-83.50
O=C([O-])[C@@H]1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006090984	0	47	0.0	-71.55	354.85	10.17	-61.38
O=C([O-])[C@@H]1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006090984	1	47	0.0	-63.62	345.61	10.35	-53.27
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@H]3C(=O)[O-])=CC=C1N2	REAL300006091048	1	45	0.0	-88.57	345.96	9.03	-79.54
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@H]3C(=O)[O-])=CC=C1N2	REAL300006091048	1	45	0.0	-93.27	346.73	9.01	-84.26
CC1=CC=C(N2CCC(C(=O)N3CCC[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300006091078	1	46	0.0	-79.17	350.37	8.41	-70.76
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300006091081	0	52	0.0	-64.51	370.37	8.28	-56.23
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300006091102	0	47	0.0	-72.37	352.27	10.21	-62.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300006091102	1	47	0.0	-72.34	353.96	10.47	-61.87
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300006091115	0	48	0.0	-89.84	378.19	9.93	-79.91
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006091124	0	44	0.0	-83.80	337.99	9.40	-74.40
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300006091501	0	44	0.0	-67.40	342.08	8.05	-59.35
O=C([O-])[C@@H]1CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006091540	0	50	0.0	-77.11	376.50	11.30	-65.81
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CCO1	REAL300006091542	1	48	0.0	-64.70	366.32	8.46	-56.24
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CCO1	REAL300006091542	1	48	0.0	-89.41	359.19	8.46	-80.95
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CC2CCCCCC2C1	REAL300006091653	0	53	0.0	-47.37	378.05	9.46	-37.91
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CC2CCCCCC2C1	REAL300006091653	1	53	0.0	-47.01	371.31	9.43	-37.58
CCCN1C=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006091738	0	46	0.0	-48.08	356.42	6.71	-41.37
CCCN1C=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006091738	1	46	0.0	-50.04	362.60	6.73	-43.31
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CC3(CCCC3)OC3=CC=C(F)C=C32)C1	REAL300006091842	0	55	0.0	-49.81	416.30	10.03	-39.78
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CC3(CCCC3)OC3=CC=C(F)C=C32)C1	REAL300006091842	1	55	0.0	-50.12	408.65	9.73	-40.39
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006092937	0	51	0.0	-82.12	380.68	11.38	-70.74
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CN12	REAL300006094206	1	43	0.0	-70.28	328.06	8.86	-61.42
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CC2)=CS1	REAL300006094258	1	50	0.0	-83.75	387.05	9.54	-74.21
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006094318	0	54	0.0	-87.39	413.38	11.05	-76.34
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300006094324	0	54	0.0	-86.65	410.68	12.96	-73.69
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300006094324	1	54	0.0	-84.98	410.63	12.95	-72.03
C[NH+](C)CC1(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CCCCC1	REAL300006094388	0	50	0.0	-62.14	321.35	9.12	-53.02
C[N@H+](CCC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300006094390	0	50	0.0	-72.82	357.79	10.15	-62.67
C[N@@H+](CCC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300006094390	1	50	0.0	-73.45	357.81	10.14	-63.31
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006094449	0	44	0.0	-86.63	343.36	8.93	-77.70
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006094468	0	52	0.0	-87.09	370.96	8.89	-78.20
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCCC[NH+]1CCOCC1	REAL300006094492	1	48	0.0	-81.88	357.30	7.87	-74.01
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300006094493	0	53	0.0	-87.85	378.72	10.80	-77.05
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300006094493	1	53	0.0	-87.92	373.30	10.53	-77.39
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006094509	0	48	0.0	-72.82	362.20	10.90	-61.92
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006094509	1	48	0.0	-73.92	359.85	10.85	-63.07
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006094510	0	49	0.0	-82.83	353.80	9.80	-73.03
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006094532	0	52	0.0	-73.93	356.20	8.34	-65.59
CC(C(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006094535	0	47	0.0	-64.96	351.38	10.62	-54.34
CC(C(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006094535	1	47	0.0	-66.48	351.16	10.19	-56.29
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006094543	0	54	0.0	-76.56	401.56	12.65	-63.91
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006094543	1	54	0.0	-62.42	393.64	12.43	-49.99
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300006094560	0	43	0.0	-86.80	330.04	7.85	-78.95
CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006094567	0	52	0.0	-75.82	381.59	10.50	-65.32
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006094585	0	48	0.0	-91.40	358.38	10.46	-80.94
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006094590	0	51	0.0	-82.36	374.57	11.18	-71.18
CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CC2)CC1	REAL300006094596	0	59	0.0	-81.96	413.05	8.98	-72.98
CC1C[NH+](CC2=CC=C(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300006094603	1	55	0.0	-91.28	402.62	10.29	-80.99
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006094612	1	52	0.0	-87.50	386.68	11.03	-76.47
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006094612	1	52	0.0	-86.28	393.44	11.09	-75.19
CC1=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006094627	1	42	0.0	-87.78	327.48	7.73	-80.05
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006094630	0	51	0.0	-91.36	375.68	11.22	-80.14
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006094640	1	44	0.0	-84.72	340.68	8.64	-76.08
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006094641	0	47	0.0	-92.50	356.55	10.21	-82.29
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006094645	1	49	0.0	-86.91	369.46	10.19	-76.72
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006094645	1	49	0.0	-79.54	361.66	9.98	-69.56
CC(C(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006094655	0	57	0.0	-67.35	415.99	12.68	-54.67
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006094682	0	47	0.0	-67.06	358.25	10.93	-56.13
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006094682	1	47	0.0	-67.18	358.27	10.91	-56.27
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006094683	0	51	0.0	-71.93	387.53	7.16	-64.77
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006094683	1	51	0.0	-75.31	387.58	7.18	-68.13
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006094690	0	56	0.0	-80.10	413.45	10.69	-69.41
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006094721	0	52	0.0	-79.44	374.61	7.72	-71.72
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006094721	1	52	0.0	-71.68	371.48	7.57	-64.11
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006094722	0	55	0.0	-77.13	396.14	8.25	-68.88
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006094722	1	55	0.0	-76.05	392.84	8.36	-67.69
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300006094724	0	44	0.0	-87.33	338.83	7.39	-79.94
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CC2)=C1	REAL300006094727	0	56	0.0	-75.47	413.53	10.56	-64.91
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006094729	0	53	0.0	-75.60	392.10	9.90	-65.70
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006094732	0	50	0.0	-74.39	375.48	9.60	-64.79
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006094732	1	50	0.0	-75.82	370.38	9.32	-66.50
CC(C(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006094737	1	48	0.0	-65.54	349.85	10.72	-54.82
CC(C(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006094737	1	48	0.0	-66.36	356.06	10.84	-55.52
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006094756	0	51	0.0	-80.87	384.07	11.76	-69.11
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006094756	1	51	0.0	-81.24	385.62	11.79	-69.45
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300006094767	0	44	0.0	-98.84	341.10	8.24	-90.60
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006094768	0	44	0.0	-64.79	333.98	7.42	-57.37
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006094769	1	45	0.0	-68.37	345.10	9.73	-58.64
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=NN1	REAL300006094772	1	45	0.0	-84.80	336.77	7.44	-77.36
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=NN1	REAL300006094772	1	45	0.0	-84.08	335.06	7.23	-76.85
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006094780	0	51	0.0	-64.55	373.96	11.57	-52.98
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006094780	1	51	0.0	-75.41	382.05	11.25	-64.16
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006094784	0	52	0.0	-76.07	389.85	9.31	-66.76
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006094817	0	51	0.0	-73.62	364.15	10.35	-63.27
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006094817	1	51	0.0	-74.17	359.98	10.23	-63.94
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=C2)CC1	REAL300006094842	0	53	0.0	-92.61	392.60	8.79	-83.82
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006094843	0	53	0.0	-89.97	392.86	8.80	-81.17
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006094843	1	53	0.0	-90.01	392.15	8.67	-81.34
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006094844	0	54	0.0	-90.52	394.73	10.69	-79.83
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006094915	0	55	0.0	-94.49	407.36	8.52	-85.97
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300006094919	0	44	0.0	-81.75	334.01	9.36	-72.39
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006094920	0	51	0.0	-64.35	367.61	11.53	-52.82
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006094920	1	51	0.0	-61.02	372.83	11.44	-49.58
CC[NH+]1CCN(CCC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006094961	0	49	0.0	-82.22	356.73	7.06	-75.16
CCN1CC[NH+](CCC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006094961	1	49	0.0	-71.88	356.75	7.09	-64.79
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006094967	1	45	0.0	-67.06	344.84	9.70	-57.36
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=CC=C1N2	REAL300006095010	1	49	0.0	-90.99	369.23	9.78	-81.21
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=CC=C1N2	REAL300006095010	1	49	0.0	-96.59	368.98	9.73	-86.86
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300006095050	0	47	0.0	-87.73	352.27	9.45	-78.28
CC1=CC=C(N2CCC(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300006095051	1	50	0.0	-80.45	368.49	9.31	-71.14
C[N@H+](CC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300006095052	1	44	0.0	-68.49	335.79	10.07	-58.42
C[N@@H+](CC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300006095052	1	44	0.0	-67.99	335.83	10.08	-57.91
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006095055	0	56	0.0	-92.41	398.01	9.93	-82.48
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006095063	1	39	0.0	-84.46	313.80	7.33	-77.13
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006095089	0	51	0.0	-84.91	380.73	11.36	-73.55
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006095089	1	51	0.0	-73.59	373.90	11.40	-62.19
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006095106	0	52	0.0	-90.79	400.68	10.97	-79.82
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006095120	0	48	0.0	-88.35	361.48	9.88	-78.47
C[N@@H+]1CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006095404	0	41	0.0	-66.21	312.21	7.75	-58.46
C[N@H+]1CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006095404	1	41	0.0	-75.68	308.64	7.74	-67.94
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300006095736	0	47	0.0	-90.54	356.44	10.20	-80.34
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006095741	0	48	0.0	-91.29	363.90	9.15	-82.14
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006095809	0	54	0.0	-79.03	398.56	12.43	-66.60
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300006095811	1	52	0.0	-93.70	387.95	9.55	-84.15
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300006095811	1	52	0.0	-93.41	381.36	9.53	-83.88
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300006095870	0	50	0.0	-71.89	355.68	9.97	-61.92
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300006095870	1	50	0.0	-60.58	347.83	10.06	-50.52
CN1N=C(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300006095950	0	52	0.0	-48.49	392.59	8.47	-40.02
CN1N=C(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300006095950	1	52	0.0	-46.90	385.86	8.02	-38.88
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300006096070	1	46	0.0	-54.28	363.67	7.79	-46.49
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300006096070	1	46	0.0	-52.02	362.88	7.34	-44.68
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006097288	0	54	0.0	-83.47	426.86	9.33	-74.14
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300006097959	0	51	0.0	-56.33	402.77	8.20	-48.13
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006097959	1	51	0.0	-57.41	404.51	8.10	-49.31
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006098884	0	48	0.0	-77.24	375.37	6.90	-70.34
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300006098911	0	45	0.0	-59.67	363.20	6.62	-53.05
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CCC[N@H+]1C1CC1	REAL300006098911	1	45	0.0	-54.41	341.30	6.25	-48.16
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=CC=CC=C3O)C(=O)[O-])CN12	REAL300006098917	1	46	0.0	-67.02	373.57	6.77	-60.25
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006098918	0	54	0.0	-68.12	430.28	9.23	-58.89
C[N@@H+]1CCCCC1C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-]	REAL300006099000	0	44	0.0	-66.20	338.62	5.46	-60.74
C[N@H+]1CCCCC1C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-]	REAL300006099000	1	44	0.0	-63.01	347.74	5.70	-57.31
CC(C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006099001	1	49	0.0	-72.29	369.28	4.47	-67.82
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-]	REAL300006099045	0	44	0.0	-58.51	341.78	6.23	-52.28
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-]	REAL300006099045	1	44	0.0	-60.17	338.26	5.53	-54.64
CC1(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300006099103	0	57	0.0	-58.28	431.47	10.33	-47.95
C[NH+]1CCC(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])CC1	REAL300006099137	0	44	0.0	-72.90	344.99	6.30	-66.60
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006099163	0	39	0.0	-72.30	330.06	8.11	-64.19
C[NH+](C)CC1(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])CCCCC1	REAL300006099197	0	53	0.0	-54.90	384.56	7.52	-47.38
C[N@H+](CCC(=O)NC(CC1=CC=CC=C1O)C(=O)[O-])C1CCCCC1	REAL300006099202	0	53	0.0	-70.43	404.84	7.66	-62.77
C[N@@H+](CCC(=O)NC(CC1=CC=CC=C1O)C(=O)[O-])C1CCCCC1	REAL300006099202	1	53	0.0	-71.32	404.36	7.62	-63.70
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006099220	1	51	0.0	-66.54	418.43	8.75	-57.79
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006099220	1	51	0.0	-64.58	410.12	8.28	-56.30
C[NH+]1CCC(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])CC1	REAL300006099274	0	44	0.0	-72.90	344.99	6.30	-66.60
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006099279	0	47	0.0	-85.61	395.18	6.68	-78.93
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006099303	0	54	0.0	-55.86	389.90	8.49	-47.37
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300006099303	1	54	0.0	-61.37	399.22	8.02	-53.35
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006099304	0	55	0.0	-81.77	417.67	6.32	-75.45
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CC=CC=C1O)C(=O)[O-]	REAL300006099337	1	45	0.0	-70.19	376.93	6.92	-63.27
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)CCCC[NH+]1CCOCC1	REAL300006099338	1	51	0.0	-76.71	403.98	5.70	-71.01
CC[N@H+](CC1=CC=C(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])C=C1)C(C)C	REAL300006099341	0	56	0.0	-88.28	425.02	9.05	-79.23
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])C=C1)C(C)C	REAL300006099341	1	56	0.0	-85.61	423.21	8.77	-76.84
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006099390	0	51	0.0	-70.98	408.91	8.49	-62.49
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006099390	1	51	0.0	-65.85	405.44	9.14	-56.71
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006099391	0	52	0.0	-82.02	409.73	7.93	-74.09
C[NH+]1CCN(C(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300006099418	1	56	0.0	-69.39	440.16	7.29	-62.10
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006099419	0	55	0.0	-71.10	403.23	5.91	-65.19
CCC(C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-])[NH+](CC)CC	REAL300006099423	0	49	0.0	-55.87	372.22	6.40	-49.47
CC(C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006099425	0	50	0.0	-65.00	400.89	8.04	-56.96
CC(C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006099425	1	50	0.0	-61.07	395.54	8.60	-52.47
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CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])C1	REAL300006101664	1	53	0.0	-59.91	400.84	7.96	-51.95
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CC[N@H+]1CCCC(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])C1	REAL300006101665	1	47	0.0	-66.41	362.69	6.91	-59.50
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CC1=NC(C[NH+]2CCC(C(=O)NC(C)(C)C=CC(=O)[O-])CC2)=CS1	REAL300006103913	1	49	0.0	-67.40	387.18	7.79	-59.61
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C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C)(C)C=CC(=O)[O-])=C1	REAL300006103963	1	53	0.0	-74.29	413.51	11.87	-62.42
CC(C)(C=CC(=O)[O-])NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006104074	0	43	0.0	-70.70	348.11	7.42	-63.28
CC(C)(C=CC(=O)[O-])NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006104092	0	51	0.0	-62.48	363.85	6.93	-55.55
CC[N@H+](CC1=CC=C(C(=O)NC(C)(C)C=CC(=O)[O-])C=C1)C(C)C	REAL300006104110	0	52	0.0	-68.49	377.51	9.72	-58.77
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(C)C=CC(=O)[O-])C=C1)C(C)C	REAL300006104110	1	52	0.0	-67.47	376.13	9.44	-58.03
CC(C)(C=CC(=O)[O-])NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006104125	0	47	0.0	-65.87	363.62	9.23	-56.64
CC(C)(C=CC(=O)[O-])NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006104125	1	47	0.0	-65.45	363.66	9.29	-56.16
CC(C)(C=CC(=O)[O-])NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006104126	0	48	0.0	-71.14	362.45	8.68	-62.46
CC(C)(C=CC(=O)[O-])NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006104147	0	51	0.0	-64.55	355.39	6.64	-57.91
CC(C(=O)NC(C)(C)C=CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006104150	0	46	0.0	-61.00	353.52	8.79	-52.21
CC(C(=O)NC(C)(C)C=CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006104150	1	46	0.0	-61.78	353.22	8.81	-52.97
CC(C)(C=CC(=O)[O-])NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006104156	0	53	0.0	-68.25	402.30	10.85	-57.40
CC(C)(C=CC(=O)[O-])NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006104156	1	53	0.0	-63.43	395.93	11.04	-52.39
CC(C)(C=CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006104191	0	47	0.0	-70.19	360.72	9.35	-60.84
CC(C)(C=CC(=O)[O-])NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006104195	0	50	0.0	-69.40	378.36	10.13	-59.27
CCN1CCC([NH+]2CCC(C(=O)NC(C)(C)C=CC(=O)[O-])CC2)CC1	REAL300006104201	0	58	0.0	-65.75	413.51	7.74	-58.01
CC1C[NH+](CC2=CC=C(C(=O)NC(C)(C)C=CC(=O)[O-])C=C2)CC(C)O1	REAL300006104207	1	54	0.0	-72.86	411.63	9.16	-63.70
CC(C)(C=CC(=O)[O-])NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006104217	1	51	0.0	-72.30	386.21	9.17	-63.13
CC(C)(C=CC(=O)[O-])NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006104217	1	51	0.0	-71.68	392.99	9.22	-62.46
CC1=C(C(=O)NC(C)(C)C=CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006104231	1	41	0.0	-75.51	334.02	6.69	-68.82
CC(C)(C=CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006104234	0	50	0.0	-70.61	378.04	10.08	-60.53
CC(C)(C=CC(=O)[O-])NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006104244	1	43	0.0	-74.37	342.05	6.91	-67.46
C[NH+](C)CCC1=CC=C(C(=O)NC(C)(C)C=CC(=O)[O-])C=C1	REAL300006104245	0	46	0.0	-73.34	359.28	9.13	-64.21
CC(C)(C=CC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006104248	1	48	0.0	-66.31	372.77	8.67	-57.64
CC(C)(C=CC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006104248	1	48	0.0	-65.83	372.68	8.66	-57.17
CC(C(=O)NC(C)(C)C=CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006104256	0	56	0.0	-61.24	410.88	11.20	-50.04
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(C)C=CC(=O)[O-]	REAL300006104282	0	46	0.0	-66.35	357.79	9.23	-57.12
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CC(C)[NH+]1CCN(CCC(=O)NC(C)(C)C=CC(=O)[O-])CC1	REAL300006104313	0	51	0.0	-64.14	374.01	5.97	-58.17
CC(C)N1CC[NH+](CCC(=O)NC(C)(C)C=CC(=O)[O-])CC1	REAL300006104313	1	51	0.0	-64.90	370.32	5.76	-59.14
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006114504	1	53	0.0	-54.52	398.53	12.55	-41.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006114505	0	54	0.0	-80.87	394.88	12.58	-68.29
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006114533	0	57	0.0	-54.53	395.32	10.19	-44.34
CCC(C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[NH+](CC)CC	REAL300006114537	0	51	0.0	-61.63	361.20	10.99	-50.64
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300006114539	0	52	0.0	-46.61	389.33	12.11	-34.50
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300006114539	1	52	0.0	-42.84	389.27	12.23	-30.61
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006114548	0	59	0.0	-65.31	436.36	15.17	-50.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006114548	1	59	0.0	-52.13	430.52	14.19	-37.94
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300006114561	0	48	0.0	-60.36	365.99	9.10	-51.26
CCC[NH+](CCC)CCCC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300006114567	0	57	0.0	-75.57	421.02	13.11	-62.46
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@H+](C)CCO1	REAL300006114569	1	44	0.0	-79.01	329.86	8.66	-70.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@@H+](C)CCO1	REAL300006114569	1	44	0.0	-56.10	323.18	8.29	-47.81
CC(C)C1=[NH+]C=CN1CC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300006114577	1	47	0.0	-47.17	364.76	11.05	-36.12
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006114592	0	53	0.0	-55.01	391.28	12.15	-42.86
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006114598	0	56	0.0	-49.44	415.76	13.20	-36.24
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1(C[NH+](C)C)CC1	REAL300006114604	0	46	0.0	-46.32	334.88	9.72	-36.60
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC[NH+](C)C	REAL300006114613	0	48	0.0	-78.59	368.83	11.38	-67.21
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006114623	1	57	0.0	-63.11	426.22	12.77	-50.34
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006114623	1	57	0.0	-65.69	432.92	12.80	-52.89
CC1=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006114635	1	47	0.0	-76.25	374.90	10.55	-65.70
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006114638	0	56	0.0	-71.35	419.90	13.32	-58.03
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006114650	1	49	0.0	-74.61	380.79	10.80	-63.81
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300006114651	0	52	0.0	-74.03	396.45	12.06	-61.97
CNC1=[NH+]C(C)=CC=C1C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300006114657	1	45	0.0	-49.16	349.96	8.85	-40.31
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006114658	1	54	0.0	-46.72	408.25	11.94	-34.78
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006114658	1	54	0.0	-55.39	399.58	11.77	-43.62
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@H+](C)C1CCC1	REAL300006114678	0	46	0.0	-45.96	344.17	10.13	-35.83
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@@H+](C)C1CCC1	REAL300006114678	1	46	0.0	-46.69	345.33	10.30	-36.39
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)[NH+]1CCSCC1	REAL300006114701	1	47	0.0	-55.82	355.14	10.76	-45.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300006114707	0	51	0.0	-46.54	369.25	10.87	-35.67
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300006114707	1	51	0.0	-46.92	368.18	10.73	-36.19
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300006114709	0	52	0.0	-51.15	398.24	12.77	-38.38
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300006114709	1	52	0.0	-51.08	397.83	12.71	-38.37
COCCOCC[N@H+](C)CCC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300006114710	0	56	0.0	-55.73	426.82	8.95	-46.78
COCCOCC[N@@H+](C)CCC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300006114710	1	56	0.0	-57.34	427.06	9.00	-48.34
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300006114714	0	50	0.0	-57.08	369.15	8.67	-48.41
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300006114826	1	50	0.0	-67.11	379.22	9.36	-57.75
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@H+](C)CC(C)O1	REAL300006114833	1	47	0.0	-62.52	353.20	9.25	-53.27
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@@H+](C)CC(C)O1	REAL300006114833	1	47	0.0	-49.29	351.67	9.23	-40.06
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006114844	0	57	0.0	-56.18	429.24	11.09	-45.09
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCC1CCC[N@@H+]1C	REAL300006114908	0	49	0.0	-59.35	360.64	10.32	-49.03
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300006115017	1	47	0.0	-62.99	331.21	9.01	-53.98
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C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC3=CC=NC(C(=O)[O-])=C3C=C2)CC1	REAL300006122505	0	48	0.0	-76.07	359.00	8.51	-67.56
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC4=CC=NC(C(=O)[O-])=C4C=C3)=CN21	REAL300006122509	0	40	0.0	-78.51	338.51	9.11	-69.40
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC3=CC=NC(C(=O)[O-])=C3C=C2)C1	REAL300006122572	0	51	0.0	-81.47	388.38	9.54	-71.93
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC3=CC=NC(C(=O)[O-])=C3C=C2)C1	REAL300006122572	1	51	0.0	-77.66	381.61	9.72	-67.94
CC[N@@H+]1CCCC(C(=O)NC2=CC3=CC=NC(C(=O)[O-])=C3C=C2)C1	REAL300006122573	0	45	0.0	-81.39	349.44	8.09	-73.30
CC[N@H+]1CCCC(C(=O)NC2=CC3=CC=NC(C(=O)[O-])=C3C=C2)C1	REAL300006122573	1	45	0.0	-81.98	349.57	8.10	-73.88
C[N@@H+]1CCCC(C(=O)NC2=CC3=CC=NC(C(=O)[O-])=C3C=C2)C1	REAL300006122577	0	42	0.0	-83.39	331.27	7.44	-75.95
C[N@H+]1CCCC(C(=O)NC2=CC3=CC=NC(C(=O)[O-])=C3C=C2)C1	REAL300006122577	1	42	0.0	-83.66	331.91	7.44	-76.22
C[NH+](C)CC1=CC=C(C(=O)NC2=CC3=CC=NC(C(=O)[O-])=C3C=C2)O1	REAL300006122579	1	42	0.0	-95.09	351.37	7.65	-87.44
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC3=CC=NC(C(=O)[O-])=C3C=C2)C1	REAL300006122585	0	51	0.0	-83.99	377.14	8.94	-75.05
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC3=CC=NC(C(=O)[O-])=C3C=C2)C1	REAL300006122585	1	51	0.0	-84.29	376.95	8.95	-75.34
O=C([O-])C1=NC=CC2=CC(NC(=O)C34CC(C3)CN4C3CC3)=CC=C21	REAL300006122588	0	44	0.0	-80.56	343.89	8.95	-71.61
O=C([O-])C1=NC=CC2=CC(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)=CC=C21	REAL300006122588	1	44	0.0	-78.30	344.44	8.54	-69.76
O=C([O-])C1=NC=CC2=CC(NC(=O)C34CC(C3)C[N@H+]4C3CC3)=CC=C21	REAL300006122588	1	44	0.0	-80.56	343.89	8.95	-71.61
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(C2)C2=CC=CC=C2C=C3)C1	REAL300006122668	0	50	0.0	-46.96	368.59	11.33	-35.63
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C2)C2=CC=CC=C2C=C3)C1	REAL300006122668	1	50	0.0	-52.49	369.76	11.76	-40.73
C=C(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCOCC1	REAL300006122762	1	48	0.0	-47.55	352.91	6.69	-40.86
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006123489	0	47	0.0	-66.46	385.36	10.45	-56.01
C[NH+](C)CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123533	0	36	0.0	-58.55	315.85	7.59	-50.96
CC(C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006123534	1	48	0.0	-68.24	389.35	7.36	-60.88
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123550	0	43	0.0	-57.50	357.81	9.19	-48.31
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123550	1	43	0.0	-56.74	348.82	8.94	-47.80
C[NH+]1CCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300006123565	0	43	0.0	-69.97	359.87	9.21	-60.76
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006123581	0	38	0.0	-67.74	345.43	11.07	-56.67
C[N@@H+]1CCCC1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123603	0	40	0.0	-56.37	341.96	8.57	-47.80
C[N@H+]1CCCC1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123603	1	40	0.0	-55.18	336.21	8.08	-47.10
C[NH+]1CCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300006123628	0	43	0.0	-69.97	359.87	9.21	-60.76
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123646	1	44	0.0	-65.65	387.12	10.42	-55.23
C[C@@H](C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300006123649	0	39	0.0	-55.60	334.02	7.98	-47.62
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123650	0	40	0.0	-60.93	335.87	8.15	-52.78
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123650	1	40	0.0	-54.56	340.97	8.51	-46.05
C[C@H](C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300006123653	0	39	0.0	-59.75	334.29	7.94	-51.81
CCC(C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](CC)CC	REAL300006123696	0	48	0.0	-51.54	378.51	9.60	-41.94
C[N@@H+]1CCOC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006123704	1	41	0.0	-79.13	353.52	7.98	-71.15
C[N@H+]1CCOC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006123704	1	41	0.0	-52.84	346.34	7.82	-45.02
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123710	1	44	0.0	-55.42	381.57	10.33	-45.09
C[NH+](C)CC1(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300006123716	0	43	0.0	-55.25	367.74	9.35	-45.90
C[NH+](C)CCCCC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123719	0	45	0.0	-71.13	381.22	9.71	-61.42
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123737	1	42	0.0	-57.20	365.39	8.61	-48.59
CCC[N@H+](C)CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123739	0	42	0.0	-58.11	355.33	8.94	-49.17
CCC[N@@H+](C)CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123739	1	42	0.0	-57.34	355.14	9.00	-48.34
C[N@H+](CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])C1CCC1	REAL300006123748	0	43	0.0	-55.28	362.14	9.57	-45.71
C[N@@H+](CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])C1CCC1	REAL300006123748	1	43	0.0	-55.19	361.39	9.53	-45.66
C[N@H+](CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])CC(C)(C)C	REAL300006123758	0	48	0.0	-57.66	383.99	9.92	-47.74
C[N@@H+](CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])CC(C)(C)C	REAL300006123758	1	48	0.0	-57.72	385.87	10.07	-47.65
CC[C@@H](C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300006123759	0	42	0.0	-53.86	346.57	8.51	-45.35
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006123761	0	47	0.0	-62.20	376.64	7.69	-54.51
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006123761	1	47	0.0	-56.73	386.40	7.88	-48.85
CCCCCC[N@H+](C)CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123771	0	51	0.0	-58.00	418.98	11.31	-46.69
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123771	1	51	0.0	-59.16	419.91	11.29	-47.87
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006123779	1	38	0.0	-75.27	345.70	11.07	-64.20
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006123792	0	47	0.0	-52.61	380.70	10.36	-42.25
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300006123792	1	47	0.0	-57.62	370.30	10.09	-47.53
C[C@@H]1[C@H](C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006123806	0	43	0.0	-65.87	348.94	8.49	-57.38
C[C@@H]1[C@H](C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300006123806	1	43	0.0	-63.03	355.58	8.89	-54.14
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006123808	0	46	0.0	-65.83	372.87	9.20	-56.63
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300006123808	1	46	0.0	-65.13	376.87	9.78	-55.35
CC1C[N@H+](C)CC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300006123812	1	44	0.0	-70.48	367.74	8.75	-61.73
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300006123812	1	44	0.0	-78.45	367.75	8.75	-69.70
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C[NH+]1CCCC1	REAL300006123815	0	40	0.0	-56.15	339.86	8.61	-47.54
CC1=[NH+]C=CN1CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123817	1	38	0.0	-57.76	345.47	9.15	-48.61
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123818	0	47	0.0	-64.93	387.23	8.31	-56.62
CC1CC[NH+](CC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300006123835	0	46	0.0	-58.33	379.12	10.02	-48.31
CC[N@@H+]1CCOC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006123839	1	44	0.0	-69.00	371.05	8.68	-60.32
CC[N@H+]1CCOC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006123839	1	44	0.0	-53.17	364.15	8.45	-44.72
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123851	0	46	0.0	-70.46	379.66	9.86	-60.60
C[N@H+]1CCCC1CCC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123851	1	46	0.0	-65.43	378.09	9.53	-55.90
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006123856	0	47	0.0	-55.23	383.91	10.49	-44.74
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300006123856	1	47	0.0	-53.44	383.63	10.50	-42.94
CC[NH+](CC)CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123863	0	42	0.0	-56.38	352.20	8.88	-47.50
CC(C)[NH+]1CCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300006123864	0	49	0.0	-69.51	390.51	10.17	-59.34
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C12CC[NH+](CC1)C2	REAL300006123895	0	41	0.0	-68.62	346.89	8.09	-60.53
CCC(C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300006123898	0	42	0.0	-57.18	346.31	8.57	-48.61
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300006123901	0	44	0.0	-76.26	358.10	8.75	-67.51
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300006123901	1	44	0.0	-72.53	356.95	8.86	-63.67
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123919	0	46	0.0	-54.76	373.19	9.39	-45.37
C#CC[NH+]1CCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300006123944	0	45	0.0	-72.40	385.04	10.42	-61.98
CC(C)[N@H+](C)CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123945	0	42	0.0	-55.37	350.34	8.78	-46.59
CC(C)[N@@H+](C)CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123945	1	42	0.0	-55.46	350.46	8.73	-46.73
CC[N@H+](CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])C1CC1	REAL300006123953	0	43	0.0	-54.61	365.11	9.63	-44.98
CC[N@@H+](CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])C1CC1	REAL300006123953	1	43	0.0	-55.19	362.26	9.56	-45.63
CC(C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006123963	0	49	0.0	-55.28	385.14	9.97	-45.31
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123965	0	40	0.0	-55.99	341.84	8.63	-47.36
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123965	1	40	0.0	-55.27	336.16	8.07	-47.20
CC(C)(C)[NH2+]CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006123996	0	42	0.0	-56.39	355.04	7.24	-49.15
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)CCCC[NH+]1CCCC1	REAL300006123997	0	49	0.0	-69.91	407.42	10.84	-59.07
C[NH+](C)CC1=CC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])=NO1	REAL300006124018	1	42	0.0	-75.35	373.38	8.53	-66.82
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006124025	0	46	0.0	-59.61	363.91	9.52	-50.09
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300006124025	1	46	0.0	-53.68	361.84	9.22	-44.46
C[NH+]1CCC(OCC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300006124034	0	47	0.0	-76.72	396.10	9.61	-67.11
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006124092	0	49	0.0	-54.39	393.57	10.75	-43.64
CCC[N@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006124092	1	49	0.0	-64.88	399.84	10.55	-54.33
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006124103	1	47	0.0	-58.74	389.95	6.70	-52.04
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006124167	0	49	0.0	-61.29	394.16	10.34	-50.95
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006124167	1	49	0.0	-62.68	394.76	10.37	-52.31
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])N1	REAL300006124178	1	44	0.0	-59.14	386.16	8.87	-50.27
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006124383	0	43	0.0	-69.07	364.81	9.28	-59.79
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300006124387	0	49	0.0	-53.89	386.83	10.23	-43.66
CC[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006124409	0	46	0.0	-63.83	378.14	9.86	-53.97
CC[N@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006124409	1	46	0.0	-64.43	378.33	9.79	-54.64
C[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006124413	0	43	0.0	-66.45	360.50	9.21	-57.24
C[N@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300006124413	1	43	0.0	-66.42	360.43	9.20	-57.22
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300006124415	1	43	0.0	-79.32	380.73	9.33	-69.99
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006124418	0	45	0.0	-67.17	368.56	10.22	-56.95
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006124418	1	45	0.0	-65.72	350.20	9.83	-55.89
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006125425	0	51	0.0	-68.24	403.31	9.41	-58.83
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=CC=C(OC(F)F)C=C3)C(=O)[O-])CN12	REAL300006125443	1	49	0.0	-62.69	401.69	9.23	-53.46
C[NH+](C)CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125479	0	40	0.0	-60.76	334.03	6.49	-54.27
CC(C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006125480	1	52	0.0	-73.38	407.31	6.32	-67.06
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125504	0	47	0.0	-62.02	375.18	8.11	-53.91
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125504	1	47	0.0	-57.59	366.53	7.97	-49.62
C[NH+]1CCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300006125535	0	47	0.0	-75.28	377.82	8.17	-67.11
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006125557	0	42	0.0	-70.57	364.03	10.06	-60.51
C[NH+](C)CC1(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CCCCC1	REAL300006125573	0	56	0.0	-51.51	415.19	9.86	-41.65
C[N@H+](CCC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CCCCC1	REAL300006125576	0	56	0.0	-69.49	431.63	10.10	-59.39
C[N@@H+](CCC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CCCCC1	REAL300006125576	1	56	0.0	-66.11	432.27	10.13	-55.98
C[N@@H+]1CCCC1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125584	0	44	0.0	-57.27	359.67	7.58	-49.69
C[N@H+]1CCCC1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125584	1	44	0.0	-56.69	354.16	7.03	-49.66
C[NH+]1CCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300006125617	0	47	0.0	-75.28	377.82	8.17	-67.11
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125642	1	48	0.0	-69.62	405.02	9.38	-60.24
C[C@@H](C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300006125646	0	43	0.0	-57.17	351.91	6.94	-50.23
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125647	0	44	0.0	-60.16	354.07	7.03	-53.13
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125647	1	44	0.0	-57.29	358.89	7.62	-49.67
C[C@H](C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300006125650	0	43	0.0	-61.40	352.19	6.91	-54.49
CCC(C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])[NH+](CC)CC	REAL300006125699	0	52	0.0	-53.95	396.63	8.50	-45.45
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C=N1	REAL300006125711	0	49	0.0	-79.98	407.75	8.18	-71.80
C[N@@H+]1CCOC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006125713	1	45	0.0	-79.23	371.47	6.94	-72.29
C[N@H+]1CCOC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006125713	1	45	0.0	-57.81	364.28	6.78	-51.03
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125721	1	48	0.0	-57.12	399.51	9.28	-47.84
C[NH+](C)CC1(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300006125728	0	47	0.0	-57.90	385.84	8.24	-49.66
C[NH+](C)CCCCC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125732	0	49	0.0	-74.10	399.40	8.61	-65.49
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125754	1	46	0.0	-61.70	383.10	7.63	-54.07
CCC[N@H+](C)CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125758	0	46	0.0	-59.28	373.33	7.90	-51.38
CCC[N@@H+](C)CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125758	1	46	0.0	-59.36	373.27	7.89	-51.47
C[N@H+](CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CCC1	REAL300006125769	0	47	0.0	-57.29	380.26	8.47	-48.82
C[N@@H+](CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CCC1	REAL300006125769	1	47	0.0	-56.24	379.92	8.53	-47.71
CC(C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300006125780	1	48	0.0	-63.59	389.42	8.34	-55.25
C[N@H+](CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])CC(C)(C)C	REAL300006125781	0	52	0.0	-58.84	401.87	8.90	-49.94
C[N@@H+](CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])CC(C)(C)C	REAL300006125781	1	52	0.0	-61.46	402.99	9.06	-52.40
CC[C@@H](C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300006125783	0	46	0.0	-55.65	364.68	7.50	-48.15
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006125785	0	51	0.0	-68.15	401.55	6.89	-61.26
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006125785	1	51	0.0	-68.76	391.84	6.73	-62.03
CCCCCC[N@H+](C)CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125796	0	55	0.0	-60.28	437.77	10.24	-50.04
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125796	1	55	0.0	-59.55	437.52	10.30	-49.25
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006125806	1	42	0.0	-77.70	364.30	10.06	-67.64
C[N@H+](CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CCSC1	REAL300006125810	0	48	0.0	-62.33	393.39	8.73	-53.60
C[N@@H+](CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CCSC1	REAL300006125810	1	48	0.0	-62.63	393.38	8.71	-53.92
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006125823	0	51	0.0	-53.40	398.41	9.40	-44.00
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300006125823	1	51	0.0	-59.00	388.25	9.05	-49.95
C[NH+](C)CCN1C=C(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C=N1	REAL300006125824	0	50	0.0	-81.26	418.11	8.04	-73.22
C[NH+](C)CCN1C=CC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=N1	REAL300006125844	0	50	0.0	-88.67	418.77	7.99	-80.68
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125845	0	50	0.0	-62.17	415.15	7.85	-54.32
C[C@@H]1[C@H](C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006125847	0	47	0.0	-69.05	368.98	7.40	-61.65
C[C@@H]1[C@H](C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300006125847	1	47	0.0	-63.60	371.80	7.83	-55.77
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125848	1	51	0.0	-64.27	419.76	9.75	-54.52
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006125850	0	50	0.0	-74.08	389.95	8.20	-65.88
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300006125850	1	50	0.0	-70.31	394.82	8.74	-61.57
CC1C[N@H+](C)CC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])O1	REAL300006125854	1	48	0.0	-71.74	385.63	7.71	-64.03
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])O1	REAL300006125854	1	48	0.0	-78.88	385.94	7.64	-71.24
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C[NH+]1CCCC1	REAL300006125859	0	44	0.0	-62.20	359.53	7.64	-54.56
CC1=[NH+]C=CN1CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125861	1	42	0.0	-59.48	363.47	8.10	-51.38
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125863	0	51	0.0	-69.22	405.11	7.27	-61.95
CC1CC[NH+](CC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300006125881	0	50	0.0	-63.14	397.00	8.98	-54.16
CC[N@@H+]1CCOC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006125889	1	48	0.0	-75.02	389.24	7.58	-67.44
CC[N@H+]1CCOC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006125889	1	48	0.0	-58.20	382.11	7.41	-50.79
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125910	0	50	0.0	-75.09	396.78	8.85	-66.24
C[N@H+]1CCCC1CCC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125910	1	50	0.0	-67.19	395.80	8.56	-58.63
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006125918	0	51	0.0	-56.48	401.81	9.45	-47.03
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300006125918	1	51	0.0	-55.53	401.81	9.40	-46.13
CC[NH+](CC)CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006125929	0	46	0.0	-58.02	369.90	7.90	-50.12
CC(C)[NH+]1CCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300006125931	0	53	0.0	-71.05	409.06	9.16	-61.89
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C12CC[NH+](CC1)C2	REAL300006125976	0	45	0.0	-70.96	365.68	7.00	-63.96
CCC(C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300006125979	0	46	0.0	-59.09	364.45	7.50	-51.59
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300006125985	0	48	0.0	-81.28	375.21	7.75	-73.53
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300006125985	1	48	0.0	-72.86	374.66	7.88	-64.98
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006126010	0	50	0.0	-59.48	390.95	8.56	-50.92
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=C1	REAL300006126011	0	50	0.0	-77.46	411.96	10.03	-67.43
C#CC[NH+]1CCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300006126042	0	49	0.0	-77.79	402.99	9.37	-68.42
CC[NH+]1CCN(CCC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300006126043	0	55	0.0	-74.22	432.15	7.10	-67.12
CCN1CC[NH+](CCC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300006126043	1	55	0.0	-64.76	432.47	7.19	-57.57
CC(C)[N@H+](C)CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006126044	0	46	0.0	-57.39	368.53	7.66	-49.73
CC(C)[N@@H+](C)CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006126044	1	46	0.0	-56.10	368.22	7.75	-48.35
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006126048	1	51	0.0	-64.60	419.46	9.64	-54.96
CC[N@H+](CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CC1	REAL300006126053	0	47	0.0	-59.16	382.64	8.52	-50.64
CC[N@@H+](CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CC1	REAL300006126053	1	47	0.0	-57.21	380.14	8.50	-48.71
CC(C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006126066	0	53	0.0	-59.97	403.09	8.94	-51.03
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006126069	0	44	0.0	-57.55	359.79	7.58	-49.97
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006126069	1	44	0.0	-56.77	354.11	7.02	-49.75
CC(C)(C)[NH2+]CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006126106	0	46	0.0	-57.06	372.74	6.26	-50.80
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)CCCC[NH+]1CCCC1	REAL300006126107	0	53	0.0	-74.31	424.55	9.82	-64.49
C[N@H+](CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300006126109	1	50	0.0	-62.42	410.69	10.08	-52.34
C[N@@H+](CC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300006126109	1	50	0.0	-61.39	410.52	10.14	-51.25
C[NH+](C)CC1=CC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=NO1	REAL300006126134	1	46	0.0	-80.36	392.34	7.55	-72.81
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006126143	0	50	0.0	-60.87	392.69	8.67	-52.20
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300006126143	1	50	0.0	-52.88	382.32	8.57	-44.31
C[NH+]1CCC(OCC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300006126154	0	51	0.0	-80.76	413.76	8.63	-72.13
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126237	0	53	0.0	-57.97	410.60	9.74	-48.23
CCC[N@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126237	1	53	0.0	-69.03	416.97	9.53	-59.50
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006126249	1	51	0.0	-63.53	407.84	5.66	-57.87
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126348	0	53	0.0	-66.51	412.11	9.30	-57.21
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126348	1	53	0.0	-55.99	406.75	9.48	-46.51
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])N1	REAL300006126361	1	48	0.0	-64.77	404.29	7.77	-57.00
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126653	0	47	0.0	-67.04	383.66	8.20	-58.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300006126657	0	53	0.0	-71.19	405.52	9.21	-61.98
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=CC=C(OC(F)F)C=C3)C(=O)[O-])=CN12	REAL300006126659	0	45	0.0	-69.34	384.80	9.80	-59.54
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126689	0	56	0.0	-67.02	435.48	10.19	-56.83
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126689	1	56	0.0	-62.07	428.96	10.38	-51.69
CC[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126690	0	50	0.0	-65.67	396.08	8.82	-56.85
CC[N@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126690	1	50	0.0	-68.60	395.45	8.78	-59.82
C[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126695	0	47	0.0	-68.26	378.45	8.16	-60.10
C[N@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300006126695	1	47	0.0	-71.53	378.38	8.15	-63.38
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])O1	REAL300006126697	1	47	0.0	-80.71	398.44	8.36	-72.35
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006126704	0	49	0.0	-72.64	386.62	9.19	-63.45
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006126704	1	49	0.0	-66.50	392.73	9.30	-57.20
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCCCC2C2=CC=CC=C2)C1	REAL300006126821	0	56	0.0	-49.93	396.64	11.92	-38.01
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCCCC2C2=CC=CC=C2)C1	REAL300006126821	1	56	0.0	-43.17	399.52	11.11	-32.06
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006128182	0	50	0.0	-81.52	379.01	10.74	-70.78
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300006128952	0	47	0.0	-67.69	362.21	10.28	-57.41
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006128952	1	47	0.0	-67.71	362.82	10.25	-57.46
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300006129764	1	47	0.0	-70.84	379.13	10.77	-60.07
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300006129764	1	47	0.0	-66.98	374.31	10.35	-56.63
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])CN12	REAL300006129857	1	42	0.0	-65.80	323.90	9.59	-56.21
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006129858	0	50	0.0	-69.53	373.64	10.18	-59.35
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])CC2)=CS1	REAL300006129927	1	49	0.0	-75.15	383.01	10.13	-65.02
CC(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])N1CC[NH+](C)CC1	REAL300006129928	1	45	0.0	-71.50	330.25	5.40	-66.10
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1	REAL300006130007	0	53	0.0	-77.70	415.47	10.52	-67.18
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=C1	REAL300006130021	0	53	0.0	-79.70	409.12	13.75	-65.95
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=C1	REAL300006130021	1	53	0.0	-81.08	409.07	13.74	-67.34
CC1(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300006130022	0	53	0.0	-64.46	381.40	12.00	-52.46
C[NH+](C)CC1(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CCCCC1	REAL300006130105	0	49	0.0	-68.81	319.97	9.74	-59.07
C[N@H+](CCC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])C1CCCCC1	REAL300006130108	0	49	0.0	-73.47	359.89	9.39	-64.08
C[N@@H+](CCC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])C1CCCCC1	REAL300006130108	1	49	0.0	-73.18	359.93	9.38	-63.80
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006130132	1	50	0.0	-54.19	375.58	11.92	-42.27
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006130132	1	50	0.0	-70.59	384.42	10.94	-59.65
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006130133	1	47	0.0	-71.91	368.80	10.32	-61.59
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006130133	1	47	0.0	-67.82	363.99	9.90	-57.92
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006130189	0	43	0.0	-90.27	343.89	9.23	-81.04
C[NH+](C)CCN1N=CC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=C1C1=CC=CC=C1	REAL300006130194	0	53	0.0	-81.33	410.37	11.36	-69.97
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006130219	0	50	0.0	-64.87	350.78	9.36	-55.51
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300006130219	1	50	0.0	-60.27	346.91	10.14	-50.13
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006130220	0	51	0.0	-64.16	363.11	7.61	-56.55
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300006130248	1	47	0.0	-77.71	359.23	7.39	-70.32
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1)C(C)C	REAL300006130250	0	52	0.0	-85.29	377.45	11.42	-73.87
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1)C(C)C	REAL300006130250	1	52	0.0	-86.85	374.41	10.42	-76.43
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006130274	0	47	0.0	-73.58	360.22	9.99	-63.59
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006130274	1	47	0.0	-73.22	364.85	10.15	-63.07
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006130275	0	48	0.0	-83.52	361.73	9.39	-74.13
C[NH+]1CCN(C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300006130299	1	52	0.0	-72.51	394.51	8.94	-63.57
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006130300	0	51	0.0	-53.68	352.74	8.00	-45.68
CC(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006130303	0	46	0.0	-66.43	350.80	10.57	-55.86
CC(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006130303	1	46	0.0	-69.90	352.68	9.64	-60.26
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006130312	0	53	0.0	-76.43	401.53	11.56	-64.87
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006130312	1	53	0.0	-71.67	398.72	12.95	-58.72
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=N1	REAL300006130341	0	42	0.0	-81.73	326.99	8.12	-73.61
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130352	0	51	0.0	-73.83	379.00	9.72	-64.11
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300006130353	1	51	0.0	-67.48	387.98	7.65	-59.83
CC[N@H+](C)C(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300006130354	0	46	0.0	-66.79	347.09	9.71	-57.08
CC[N@@H+](C)C(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300006130354	1	46	0.0	-61.31	339.11	10.55	-50.76
CC[NH+](CC)C(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300006130359	0	49	0.0	-66.72	359.37	9.88	-56.84
C[NH+](C)C(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300006130365	1	43	0.0	-69.02	348.40	9.56	-59.46
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006130379	0	47	0.0	-89.03	355.74	11.25	-77.78
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006130386	0	50	0.0	-77.40	373.32	11.97	-65.43
CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])CC2)CC1	REAL300006130392	0	58	0.0	-77.24	411.60	8.30	-68.94
CC1C[NH+](CC2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])C=C2)CC(C)O1	REAL300006130399	1	54	0.0	-91.04	400.17	11.11	-79.93
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006130409	1	51	0.0	-84.19	389.02	10.23	-73.96
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006130409	1	51	0.0	-80.86	395.80	10.29	-70.57
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300006130423	0	50	0.0	-67.59	366.41	10.39	-57.20
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300006130423	1	50	0.0	-39.01	359.71	10.87	-28.14
CC1=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006130425	1	41	0.0	-83.55	326.02	8.44	-75.11
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006130433	0	50	0.0	-89.07	373.10	12.04	-77.03
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006130445	1	43	0.0	-76.54	343.78	8.13	-68.41
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1	REAL300006130446	0	46	0.0	-91.10	354.22	10.84	-80.26
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006130456	1	48	0.0	-80.59	371.69	9.56	-71.03
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006130456	1	48	0.0	-73.79	364.73	9.39	-64.40
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130462	0	57	0.0	-63.72	418.08	12.84	-50.88
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130462	1	57	0.0	-55.33	415.47	12.68	-42.65
CC(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006130470	0	56	0.0	-69.40	408.99	11.85	-57.55
CC(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])[NH+]1CCSCC1	REAL300006130504	1	41	0.0	-38.05	311.32	8.14	-29.91
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130511	0	46	0.0	-71.91	360.59	10.18	-61.73
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130511	1	46	0.0	-71.93	360.60	10.17	-61.76
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130512	0	50	0.0	-72.93	389.57	6.40	-66.53
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130512	1	50	0.0	-73.61	389.64	6.39	-67.22
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C1	REAL300006130515	0	44	0.0	-65.59	321.59	5.93	-59.66
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C1	REAL300006130515	1	44	0.0	-72.32	318.58	6.01	-66.31
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006130523	0	55	0.0	-78.15	415.82	9.92	-68.23
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300006130524	1	49	0.0	-54.33	363.86	10.08	-44.25
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300006130524	1	49	0.0	-40.56	354.67	9.14	-31.42
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300006130525	1	49	0.0	-69.04	361.36	8.64	-60.40
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300006130525	1	49	0.0	-41.27	354.59	9.03	-32.24
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130526	0	48	0.0	-70.06	365.18	9.48	-60.58
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130526	1	48	0.0	-69.92	365.20	9.49	-60.43
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])C1CCSC1	REAL300006130551	0	41	0.0	-73.27	322.21	7.96	-65.31
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])C1CCSC1	REAL300006130551	1	41	0.0	-74.58	320.79	7.97	-66.61
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CC1	REAL300006130562	0	51	0.0	-72.31	376.81	6.93	-65.38
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CC1	REAL300006130562	1	51	0.0	-72.91	376.12	6.92	-65.99
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CC1	REAL300006130563	0	54	0.0	-72.18	394.37	7.51	-64.67
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CC1	REAL300006130563	1	54	0.0	-73.76	395.19	7.59	-66.17
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=N1	REAL300006130565	0	43	0.0	-83.37	336.18	8.21	-75.16
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])CC2)=C1	REAL300006130570	0	55	0.0	-76.95	415.68	9.77	-67.18
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006130572	0	52	0.0	-77.09	394.25	9.10	-67.99
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006130576	0	49	0.0	-67.08	363.49	10.19	-56.89
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006130576	1	49	0.0	-67.51	370.82	10.21	-57.30
CC(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006130581	1	47	0.0	-63.74	348.06	10.85	-52.89
CC(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006130581	1	47	0.0	-69.31	351.18	9.93	-59.38
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006130609	0	50	0.0	-77.47	384.13	10.94	-66.53
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006130609	1	50	0.0	-77.59	386.14	11.00	-66.59
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=N1	REAL300006130621	0	43	0.0	-86.02	342.30	7.51	-78.51
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130622	0	43	0.0	-51.03	331.77	7.78	-43.25
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130627	1	44	0.0	-65.92	347.41	8.98	-56.94
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=NN1	REAL300006130630	1	44	0.0	-76.24	337.40	6.45	-69.79
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=NN1	REAL300006130630	1	44	0.0	-78.43	337.92	6.69	-71.74
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006130640	0	50	0.0	-74.88	385.40	10.74	-64.14
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006130640	1	50	0.0	-74.69	377.47	10.90	-63.79
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300006130641	1	46	0.0	-66.60	353.78	8.25	-58.35
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300006130641	1	46	0.0	-72.25	358.50	8.42	-63.83
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130645	1	44	0.0	-65.49	327.00	6.29	-59.20
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006130646	0	51	0.0	-77.01	391.50	8.47	-68.54
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006130695	0	50	0.0	-71.87	363.33	9.52	-62.35
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006130695	1	50	0.0	-71.45	361.36	9.47	-61.98
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300006130716	0	55	0.0	-78.05	414.18	9.99	-68.06
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300006130716	1	55	0.0	-75.46	412.53	9.87	-65.59
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130723	0	47	0.0	-62.38	327.73	7.06	-55.32
CC(C)[N@@H+]1CCC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006130726	0	56	0.0	-78.69	407.32	10.32	-68.37
CC(C)[N@H+]1CCC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006130726	1	56	0.0	-64.86	402.94	10.11	-54.75
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=N1	REAL300006130727	0	50	0.0	-71.25	362.26	8.67	-62.58
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=N1	REAL300006130727	1	50	0.0	-49.43	361.44	8.40	-41.03
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])=C2)CC1	REAL300006130733	0	52	0.0	-88.01	390.39	9.53	-78.48
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])C=C2)CC1	REAL300006130734	0	52	0.0	-85.82	390.03	9.53	-76.29
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])C=C2)CC1	REAL300006130734	1	52	0.0	-89.92	389.66	9.48	-80.44
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1	REAL300006130735	0	53	0.0	-87.71	391.91	10.58	-77.13
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CC1	REAL300006130742	0	46	0.0	-74.59	336.75	8.33	-66.26
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006130840	0	54	0.0	-91.36	404.74	9.31	-82.05
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=C1	REAL300006130844	0	43	0.0	-77.73	331.69	10.10	-67.63
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006130845	0	50	0.0	-71.08	377.30	10.65	-60.43
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006130845	1	50	0.0	-64.80	376.08	12.09	-52.71
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130902	0	46	0.0	-42.53	322.31	8.71	-33.82
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130902	1	46	0.0	-54.77	331.63	9.69	-45.08
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130904	0	43	0.0	-44.18	324.23	10.21	-33.97
CC[NH+]1CCN(CCC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CC1	REAL300006130906	0	48	0.0	-73.88	360.07	6.42	-67.46
CCN1CC[NH+](CCC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CC1	REAL300006130906	1	48	0.0	-72.94	360.06	6.42	-66.52
CC(C)C(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])[NH+]1CCCCC1	REAL300006130909	0	49	0.0	-35.44	333.91	9.35	-26.09
C[NH+](C)C(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300006130910	1	43	0.0	-56.86	326.33	10.01	-46.85
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006130914	0	48	0.0	-66.62	363.72	8.42	-58.20
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006130914	1	48	0.0	-62.05	368.78	8.39	-53.66
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130920	1	44	0.0	-65.14	346.89	8.92	-56.22
C[NH+](C)CC1=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])OC2=CC=CC=C21	REAL300006130921	0	46	0.0	-57.90	358.46	9.62	-48.28
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006130925	0	47	0.0	-65.79	339.78	9.09	-56.70
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+]1C1CCCC1	REAL300006130925	1	47	0.0	-62.11	340.36	8.84	-53.27
CC(C)C(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300006130950	1	53	0.0	-64.98	374.71	8.06	-56.92
CC(C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])[NH+]1CCCCCC1	REAL300006130951	0	46	0.0	-49.76	319.65	9.43	-40.33
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])=CC=C1N2	REAL300006130981	1	48	0.0	-86.64	366.77	10.53	-76.11
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])=CC=C1N2	REAL300006130981	1	48	0.0	-87.15	366.75	10.53	-76.62
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])O1	REAL300006131035	0	46	0.0	-76.35	358.71	8.96	-67.39
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CCCC[NH+]1CCCC1	REAL300006131036	0	46	0.0	-74.06	351.82	9.03	-65.03
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])CC2)[NH+]=C1	REAL300006131037	1	49	0.0	-78.31	368.66	9.79	-68.52
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300006131038	1	43	0.0	-73.05	338.12	9.33	-63.72
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300006131038	1	43	0.0	-73.89	338.05	9.36	-64.53
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])C=C2)CC1	REAL300006131041	0	55	0.0	-91.37	395.43	10.16	-81.21
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006131052	1	38	0.0	-81.96	311.16	8.16	-73.80
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006131085	0	50	0.0	-77.53	385.33	10.71	-66.82
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006131085	1	50	0.0	-63.79	365.69	11.98	-51.81
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1	REAL300006131103	0	51	0.0	-82.04	402.64	10.23	-71.81
C[NH+]1CCC(OCC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CC1	REAL300006131118	0	44	0.0	-79.60	341.40	7.86	-71.74
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006131122	0	47	0.0	-78.16	364.31	9.37	-68.79
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006131154	0	49	0.0	-69.25	370.64	10.05	-59.20
CC(C)(C)[N@H+]1C[C@H](C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006131154	1	49	0.0	-67.99	366.30	9.88	-58.11
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C1	REAL300006131289	0	46	0.0	-67.87	339.62	9.91	-57.96
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C1	REAL300006131289	1	46	0.0	-54.05	331.03	9.86	-44.19
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006131317	0	46	0.0	-66.25	338.26	8.37	-57.88
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006131317	1	46	0.0	-66.02	342.28	8.84	-57.18
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006131320	0	44	0.0	-71.83	334.91	4.93	-66.90
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300006131404	0	51	0.0	-84.85	380.60	12.18	-72.67
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300006131404	1	51	0.0	-82.97	387.67	10.99	-71.98
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300006131437	1	50	0.0	-57.81	380.36	11.95	-45.86
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300006131437	1	50	0.0	-73.01	384.84	10.95	-62.06
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C1	REAL300006131519	0	46	0.0	-64.93	333.35	9.62	-55.31
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C1	REAL300006131519	1	46	0.0	-69.47	336.78	8.29	-61.18
C[N@@H+]1CC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300006131520	0	40	0.0	-78.13	323.03	7.39	-70.74
C[N@H+]1CC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300006131520	1	40	0.0	-83.59	313.36	8.05	-75.54
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=C1	REAL300006131960	0	46	0.0	-81.46	354.24	10.95	-70.51
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1	REAL300006131966	0	47	0.0	-89.22	360.44	9.54	-79.68
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006132044	0	53	0.0	-74.91	400.91	11.68	-63.23
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])C=C2)CCO1	REAL300006132046	1	51	0.0	-91.69	385.63	10.37	-81.32
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])C=C2)CCO1	REAL300006132046	1	51	0.0	-91.30	385.71	10.39	-80.91
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])CC1	REAL300006132080	0	46	0.0	-63.85	330.20	8.17	-55.68
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C1	REAL300006132134	0	49	0.0	-58.46	348.42	10.24	-48.22
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C1	REAL300006132134	1	49	0.0	-58.46	348.42	10.24	-48.22
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C1	REAL300006132142	0	49	0.0	-80.22	329.88	8.84	-71.38
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C1	REAL300006132142	1	49	0.0	-80.22	329.88	8.84	-71.38
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132148	0	43	0.0	-66.76	342.56	8.55	-58.21
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132148	1	43	0.0	-66.76	342.56	8.55	-58.21
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C2	REAL300006132149	0	47	0.0	-76.21	373.51	8.81	-67.40
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C2	REAL300006132149	1	47	0.0	-76.21	373.51	8.81	-67.40
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=CC(C(=O)[O-])=C1)C2	REAL300006132150	0	43	0.0	-78.14	342.45	8.52	-69.62
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC(C(=O)[O-])=C1)C2	REAL300006132150	1	43	0.0	-78.14	342.45	8.52	-69.62
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])S1)C2	REAL300006132151	0	40	0.0	-61.13	334.57	7.68	-53.45
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])S1)C2	REAL300006132151	1	40	0.0	-61.13	334.57	7.68	-53.45
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=CC(C(=O)[O-])=N1)C2	REAL300006132152	0	42	0.0	-48.74	338.24	7.65	-41.09
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC(C(=O)[O-])=N1)C2	REAL300006132152	1	42	0.0	-48.74	338.24	7.65	-41.09
CC(SC1=CC=CC=C1C(=O)N1CCC2=C(C=CN=C2N(C)C)C1)C(=O)[O-]	REAL300006132153	0	50	0.0	-82.94	396.34	10.33	-72.61
CC(SC1=CC=CC=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1)C(=O)[O-]	REAL300006132153	1	50	0.0	-82.94	396.34	10.33	-72.61
CCOC1=CC(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)=CC=C1OCC(=O)[O-]	REAL300006132154	0	54	0.0	-74.09	423.39	9.43	-64.66
CCOC1=CC(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=CC=C1OCC(=O)[O-]	REAL300006132154	1	54	0.0	-74.09	423.39	9.43	-64.66
CN(C)C1=NC=CC2=C1CCN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132155	0	49	0.0	-74.60	389.11	10.40	-64.20
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132155	1	49	0.0	-74.60	389.11	10.40	-64.20
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=NC(C(=O)[O-])=C1)C2	REAL300006132156	0	42	0.0	-79.65	338.25	6.77	-72.88
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=NC(C(=O)[O-])=C1)C2	REAL300006132156	1	42	0.0	-79.65	338.25	6.77	-72.88
CN(C)C1=NC=CC2=C1CCN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132157	0	47	0.0	-75.25	376.44	10.09	-65.16
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132157	1	47	0.0	-75.25	376.44	10.09	-65.16
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300006132158	0	45	0.0	-68.61	369.46	9.14	-59.47
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300006132158	1	45	0.0	-68.61	369.46	9.14	-59.47
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300006132159	0	45	0.0	-68.61	369.46	9.14	-59.47
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300006132159	1	45	0.0	-68.61	369.46	9.14	-59.47
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300006132160	0	50	0.0	-66.72	397.95	9.52	-57.20
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300006132160	1	50	0.0	-66.72	397.95	9.52	-57.20
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])O1)C2	REAL300006132161	0	40	0.0	-51.82	326.22	7.25	-44.57
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])O1)C2	REAL300006132161	1	40	0.0	-51.82	326.22	7.25	-44.57
CN(C)C1=NC=CC2=C1CCN(C(=O)CCC1=CC=CC=C1C(=O)[O-])C2	REAL300006132162	0	49	0.0	-63.69	380.19	10.14	-53.55
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCC1=CC=CC=C1C(=O)[O-])C2	REAL300006132162	1	49	0.0	-63.69	380.19	10.14	-53.55
CC1=CC(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006132163	0	53	0.0	-71.40	416.33	10.30	-61.10
CC1=CC(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006132163	1	53	0.0	-71.40	416.33	10.30	-61.10
CN(C)C1=NC=CC2=C1CCN(C(=O)CC1=CC=CC(C(=O)[O-])=C1)C2	REAL300006132164	0	46	0.0	-81.82	367.71	9.58	-72.24
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1=CC=CC(C(=O)[O-])=C1)C2	REAL300006132164	1	46	0.0	-81.82	367.71	9.58	-72.24
CN(C)C1=NC=CC2=C1CCN(C(=O)C1CCCC(C(=O)[O-])C1)C2	REAL300006132165	0	49	0.0	-85.03	358.20	8.64	-76.39
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CCCC(C(=O)[O-])C1)C2	REAL300006132165	1	49	0.0	-85.03	358.20	8.64	-76.39
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])N=C1)C2	REAL300006132166	0	42	0.0	-71.82	336.84	6.70	-65.12
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])N=C1)C2	REAL300006132166	1	42	0.0	-71.82	336.84	6.70	-65.12
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300006132167	0	42	0.0	-56.87	337.17	7.62	-49.25
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300006132167	1	42	0.0	-56.87	337.17	7.62	-49.25
CN(C)C1=NC=CC2=C1CCN(C(=O)CC(C)(C)CC(=O)[O-])C2	REAL300006132168	0	48	0.0	-71.55	352.20	8.36	-63.19
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC(C)(C)CC(=O)[O-])C2	REAL300006132168	1	48	0.0	-71.55	352.20	8.36	-63.19
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1F)C2	REAL300006132169	0	43	0.0	-66.67	349.08	8.60	-58.07
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1F)C2	REAL300006132169	1	43	0.0	-66.67	349.08	8.60	-58.07
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CN=C(C(=O)[O-])C=N1)C2	REAL300006132170	0	41	0.0	-60.06	332.73	5.77	-54.29
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CN=C(C(=O)[O-])C=N1)C2	REAL300006132170	1	41	0.0	-60.06	332.73	5.77	-54.29
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C2	REAL300006132171	0	49	0.0	-68.75	367.77	8.93	-59.82
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C2	REAL300006132171	1	49	0.0	-68.75	367.77	8.93	-59.82
CN(C)C1=NC=CC2=C1CCN(C(=O)C1CCC(C(=O)[O-])CC1)C2	REAL300006132172	0	49	0.0	-69.95	364.72	8.80	-61.15
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CCC(C(=O)[O-])CC1)C2	REAL300006132172	1	49	0.0	-69.95	364.72	8.80	-61.15
CN(C)C1=NC=CC2=C1CCN(C(=O)CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132173	0	46	0.0	-86.18	367.71	9.59	-76.59
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132173	1	46	0.0	-86.18	367.71	9.59	-76.59
CN(C)C1=NC=CC2=C1CCN(C(=O)CN1C=C(C(=O)[O-])N=N1)C2	REAL300006132174	0	42	0.0	-87.61	344.92	5.52	-82.09
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CN1C=C(C(=O)[O-])N=N1)C2	REAL300006132174	1	42	0.0	-87.61	344.92	5.52	-82.09
CC1=NC(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)=CC=C1C(=O)[O-]	REAL300006132175	0	45	0.0	-57.62	353.22	8.08	-49.54
CC1=NC(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=CC=C1C(=O)[O-]	REAL300006132175	1	45	0.0	-57.62	353.22	8.08	-49.54
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132176	0	43	0.0	-66.76	342.56	8.55	-58.21
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132176	1	43	0.0	-66.76	342.56	8.55	-58.21
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300006132177	0	46	0.0	-79.98	346.59	8.25	-71.73
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300006132177	1	46	0.0	-79.98	346.59	8.25	-71.73
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)C2	REAL300006132178	0	46	0.0	-64.05	364.62	9.30	-54.75
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)C2	REAL300006132178	1	46	0.0	-64.05	364.62	9.30	-54.75
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=C(CC(=O)[O-])OC=C1)C2	REAL300006132179	0	43	0.0	-79.22	345.16	7.55	-71.67
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C(CC(=O)[O-])OC=C1)C2	REAL300006132179	1	43	0.0	-79.22	345.16	7.55	-71.67
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132180	0	46	0.0	-72.77	372.66	8.38	-64.39
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132180	1	46	0.0	-72.77	372.66	8.38	-64.39
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CC=N1)C2	REAL300006132181	0	42	0.0	-70.69	337.37	7.64	-63.05
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CC=N1)C2	REAL300006132181	1	42	0.0	-70.69	337.37	7.64	-63.05
CN(C)C1=NC=CC2=C1CCN(C(=O)C13CC(C(=O)[O-])(C1)C3)C2	REAL300006132182	0	44	0.0	-66.70	341.10	8.22	-58.48
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C13CC(C(=O)[O-])(C1)C3)C2	REAL300006132182	1	44	0.0	-66.70	341.10	8.22	-58.48
CN(C)C1=NC=CC2=C1CCN(C(=O)C1(C(=O)[O-])CCC1)C2	REAL300006132183	0	43	0.0	-60.59	326.31	7.38	-53.21
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CCC1)C2	REAL300006132183	1	43	0.0	-60.59	326.31	7.38	-53.21
CN(C)C1=NC=CC2=C1CCN(C(=O)CC1CCC(C(=O)[O-])CC1)C2	REAL300006132184	0	52	0.0	-62.13	380.85	9.63	-52.50
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1CCC(C(=O)[O-])CC1)C2	REAL300006132184	1	52	0.0	-62.13	380.85	9.63	-52.50
CN(C)C1=NC=CC2=C1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)C3)C2	REAL300006132185	0	50	0.0	-76.58	368.07	8.94	-67.64
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)C3)C2	REAL300006132185	1	50	0.0	-76.58	368.07	8.94	-67.64
CN(C)C1=NC=CC2=C1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300006132186	0	53	0.0	-70.37	378.10	9.21	-61.16
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300006132186	1	53	0.0	-70.37	378.10	9.21	-61.16
CN(C)C1=NC=CC2=C1CCN(C(=O)CC(C)(C)CC(=O)[O-])C2	REAL300006132187	0	48	0.0	-71.55	352.20	8.36	-63.19
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC(C)(C)CC(=O)[O-])C2	REAL300006132187	1	48	0.0	-71.55	352.20	8.36	-63.19
CC(CC(=O)[O-])CC(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132188	0	45	0.0	-74.30	342.45	7.97	-66.33
CC(CC(=O)[O-])CC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132188	1	45	0.0	-74.30	342.45	7.97	-66.33
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=NC3=C(C(=O)[O-])C=NN31)C2	REAL300006132189	0	45	0.0	-80.19	371.19	7.55	-72.64
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=NC3=C(C(=O)[O-])C=NN31)C2	REAL300006132189	1	45	0.0	-80.19	371.19	7.55	-72.64
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300006132190	0	50	0.0	-73.64	399.19	9.20	-64.44
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300006132190	1	50	0.0	-73.64	399.19	9.20	-64.44
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=NOC(C(=O)[O-])=C1)C2	REAL300006132191	0	39	0.0	-57.34	321.11	6.71	-50.63
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=NOC(C(=O)[O-])=C1)C2	REAL300006132191	1	39	0.0	-57.34	321.11	6.71	-50.63
CN(C)C1=NC=CC2=C1CCN(C(=O)C1(C(=O)[O-])CCCC1)C2	REAL300006132192	0	46	0.0	-60.89	336.00	7.84	-53.05
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CCCC1)C2	REAL300006132192	1	46	0.0	-60.89	336.00	7.84	-53.05
CN(C)C1=NC=CC2=C1CCN(C(=O)CC1CCCC3=CC=C(C(=O)[O-])C=C31)C2	REAL300006132193	0	56	0.0	-63.63	421.95	11.79	-51.84
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1CCCC3=CC=C(C(=O)[O-])C=C31)C2	REAL300006132193	1	56	0.0	-63.63	421.95	11.79	-51.84
CC1=C(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)C=C(C(=O)[O-])O1	REAL300006132194	0	43	0.0	-59.73	345.98	7.77	-51.96
CC1=C(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)C=C(C(=O)[O-])O1	REAL300006132194	1	43	0.0	-59.73	345.98	7.77	-51.96
CC1=C(C(=O)[O-])OC(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)=C1	REAL300006132195	0	43	0.0	-51.96	344.15	7.83	-44.13
CC1=C(C(=O)[O-])OC(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=C1	REAL300006132195	1	43	0.0	-51.96	344.15	7.83	-44.13
CN(C)C1=NC=CC2=C1CCN(C(=O)CN1C=C(C(=O)[O-])C=N1)C2	REAL300006132196	0	43	0.0	-83.22	349.75	6.99	-76.23
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CN1C=C(C(=O)[O-])C=N1)C2	REAL300006132196	1	43	0.0	-83.22	349.75	6.99	-76.23
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C2	REAL300006132197	0	44	0.0	-56.15	359.77	8.54	-47.61
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C2	REAL300006132197	1	44	0.0	-56.15	359.77	8.54	-47.61
CN(C)C1=NC=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300006132198	0	50	0.0	-58.57	372.77	9.22	-49.35
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300006132198	1	50	0.0	-58.57	372.77	9.22	-49.35
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2	REAL300006132199	0	47	0.0	-68.19	373.56	8.83	-59.36
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2	REAL300006132199	1	47	0.0	-68.19	373.56	8.83	-59.36
CN(C)C1=NC=CC2=C1CCN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300006132200	0	52	0.0	-77.64	410.15	9.40	-68.24
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300006132200	1	52	0.0	-77.64	410.15	9.40	-68.24
CN(C)C1=NC=CC2=C1CCN(C(=O)CCSCC(=O)[O-])C2	REAL300006132201	0	43	0.0	-68.31	352.87	8.10	-60.21
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCSCC(=O)[O-])C2	REAL300006132201	1	43	0.0	-68.31	352.87	8.10	-60.21
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300006132202	0	42	0.0	-56.87	337.17	7.62	-49.25
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300006132202	1	42	0.0	-56.87	337.17	7.62	-49.25
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=NN1C)C2	REAL300006132203	0	43	0.0	-63.14	342.23	6.21	-56.93
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=NN1C)C2	REAL300006132203	1	43	0.0	-63.14	342.23	6.21	-56.93
C[C@@H]1C[C@H](C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)O[C@H]1C(=O)[O-]	REAL300006132204	0	47	0.0	-73.66	362.06	8.26	-65.40
C[C@@H]1C[C@H](C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)O[C@H]1C(=O)[O-]	REAL300006132204	1	47	0.0	-73.66	362.06	8.26	-65.40
CN(C)C1=NC=CC2=C1CCN(C(=O)C(C)(C)CCC(=O)[O-])C2	REAL300006132205	0	48	0.0	-78.68	353.00	7.91	-70.77
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C(C)(C)CCC(=O)[O-])C2	REAL300006132205	1	48	0.0	-78.68	353.00	7.91	-70.77
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C2	REAL300006132206	0	46	0.0	-59.86	364.72	9.33	-50.53
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C2	REAL300006132206	1	46	0.0	-59.86	364.72	9.33	-50.53
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C2	REAL300006132207	0	47	0.0	-73.10	374.65	9.85	-63.25
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C2	REAL300006132207	1	47	0.0	-73.10	374.65	9.85	-63.25
CN(C)C1=NC=CC2=C1CCN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C2	REAL300006132208	0	44	0.0	-72.29	361.10	8.34	-63.95
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C2	REAL300006132208	1	44	0.0	-72.29	361.10	8.34	-63.95
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=CC=C1CCC(=O)[O-])C2	REAL300006132209	0	49	0.0	-77.68	380.68	10.05	-67.63
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC=C1CCC(=O)[O-])C2	REAL300006132209	1	49	0.0	-77.68	380.68	10.05	-67.63
CN(C)C1=NC=CC2=C1CCN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C2	REAL300006132210	0	46	0.0	-83.95	375.84	4.68	-79.27
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C2	REAL300006132210	1	46	0.0	-83.95	375.84	4.68	-79.27
CN(C)C1=NC=CC2=C1CCN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C2	REAL300006132211	0	44	0.0	-62.23	362.53	8.68	-53.55
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C2	REAL300006132211	1	44	0.0	-62.23	362.53	8.68	-53.55
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300006132212	0	46	0.0	-79.98	346.59	8.25	-71.73
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300006132212	1	46	0.0	-79.98	346.59	8.25	-71.73
CC1=CC=C(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)C=C1C(=O)[O-]	REAL300006132213	0	46	0.0	-80.01	357.01	9.01	-71.00
CC1=CC=C(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)C=C1C(=O)[O-]	REAL300006132213	1	46	0.0	-80.01	357.01	9.01	-71.00
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C2	REAL300006132214	0	42	0.0	-53.30	336.12	6.69	-46.61
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C2	REAL300006132214	1	42	0.0	-53.30	336.12	6.69	-46.61
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132215	0	45	0.0	-55.52	356.26	7.33	-48.19
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132215	1	45	0.0	-55.52	356.26	7.33	-48.19
CN(C)C1=NC=CC2=C1CCN(C(=O)CN1C=CC(C(=O)[O-])=N1)C2	REAL300006132216	0	43	0.0	-95.46	349.15	7.02	-88.44
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CN1C=CC(C(=O)[O-])=N1)C2	REAL300006132216	1	43	0.0	-95.46	349.15	7.02	-88.44
CN(C)C1=NC=CC2=C1CCN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C2	REAL300006132217	0	49	0.0	-95.33	392.76	8.45	-86.88
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C2	REAL300006132217	1	49	0.0	-95.33	392.76	8.45	-86.88
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C2	REAL300006132218	0	43	0.0	-78.41	328.70	7.76	-70.65
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C2	REAL300006132218	1	43	0.0	-78.41	328.70	7.76	-70.65
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C2	REAL300006132219	0	50	0.0	-84.15	382.86	8.67	-75.48
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C2	REAL300006132219	1	50	0.0	-84.15	382.86	8.67	-75.48
CN(C)C1=NC=CC2=C1CCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C2	REAL300006132220	0	50	0.0	-73.04	385.88	7.72	-65.32
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C2	REAL300006132220	1	50	0.0	-73.04	385.88	7.72	-65.32
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C2	REAL300006132221	0	43	0.0	-78.41	328.70	7.76	-70.65
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C2	REAL300006132221	1	43	0.0	-78.41	328.70	7.76	-70.65
CC1=C(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)OC(C(=O)[O-])=C1	REAL300006132222	0	43	0.0	-52.88	344.67	8.00	-44.88
CC1=C(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)OC(C(=O)[O-])=C1	REAL300006132222	1	43	0.0	-52.88	344.67	8.00	-44.88
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@@H]1C3C=CC(CC3)[C@@H]1C(=O)[O-])C2	REAL300006132223	0	51	0.0	-47.62	361.44	10.04	-37.58
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@@H]1C3C=CC(CC3)[C@@H]1C(=O)[O-])C2	REAL300006132223	1	51	0.0	-47.62	361.44	10.04	-37.58
CC(C)C(C(=O)[O-])C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132224	0	45	0.0	-52.96	334.62	7.67	-45.29
CC(C)C(C(=O)[O-])C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132224	1	45	0.0	-52.96	334.62	7.67	-45.29
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C2	REAL300006132225	0	49	0.0	-72.34	355.72	9.35	-62.99
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C2	REAL300006132225	1	49	0.0	-72.34	355.72	9.35	-62.99
CN(C)C1=NC=CC2=C1CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300006132226	0	51	0.0	-53.35	383.92	8.63	-44.72
CN(C)C1=NC=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C2	REAL300006132227	0	50	0.0	-63.45	386.85	10.47	-52.98
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C2	REAL300006132227	1	50	0.0	-63.45	386.85	10.47	-52.98
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300006132228	0	50	0.0	-73.64	399.19	9.20	-64.44
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300006132228	1	50	0.0	-73.64	399.19	9.20	-64.44
CN(C)C1=NC=CC2=C1CCN(C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)C2	REAL300006132229	0	50	0.0	-93.28	401.10	10.98	-82.30
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)C2	REAL300006132229	1	50	0.0	-93.28	401.10	10.98	-82.30
CN(C)C1=NC=CC2=C1CCN(C(=O)C1CC3(CC3C(=O)[O-])C1)C2	REAL300006132230	0	47	0.0	-69.77	366.06	9.26	-60.51
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CC3(CC3C(=O)[O-])C1)C2	REAL300006132230	1	47	0.0	-69.77	366.06	9.26	-60.51
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C2	REAL300006132231	0	43	0.0	-76.25	334.77	7.88	-68.37
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C2	REAL300006132231	1	43	0.0	-76.25	334.77	7.88	-68.37
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132232	0	49	0.0	-72.80	375.75	9.06	-63.74
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132232	1	49	0.0	-72.80	375.75	9.06	-63.74
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132233	0	46	0.0	-58.63	361.18	9.11	-49.52
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132233	1	46	0.0	-58.63	361.18	9.11	-49.52
CN(C)C1=NC=CC2=C1CCN(C(=O)C1CC(C)(C(=O)[O-])C1)C2	REAL300006132234	0	46	0.0	-58.74	351.81	8.29	-50.45
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CC(C)(C(=O)[O-])C1)C2	REAL300006132234	1	46	0.0	-58.74	351.81	8.29	-50.45
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=C(C(=O)[O-])SC=C1)C2	REAL300006132235	0	40	0.0	-73.79	332.14	8.52	-65.27
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C(C(=O)[O-])SC=C1)C2	REAL300006132235	1	40	0.0	-73.79	332.14	8.52	-65.27
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132237	0	45	0.0	-65.86	350.49	7.22	-58.64
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132237	1	45	0.0	-65.86	350.49	7.22	-58.64
CCCC(C(=O)[O-])C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132238	0	45	0.0	-56.74	345.37	7.91	-48.83
CCCC(C(=O)[O-])C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132238	1	45	0.0	-56.74	345.37	7.91	-48.83
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132239	0	46	0.0	-66.40	360.94	9.17	-57.23
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132239	1	46	0.0	-66.40	360.94	9.17	-57.23
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C2	REAL300006132240	0	43	0.0	-65.26	357.58	9.01	-56.25
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C2	REAL300006132240	1	43	0.0	-65.26	357.58	9.01	-56.25
CN(C)C1=NC=CC2=C1CCN(C(=O)C1CC3(CC(C(=O)[O-])C3)C1)C2	REAL300006132241	0	50	0.0	-71.26	382.44	9.68	-61.58
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CC3(CC(C(=O)[O-])C3)C1)C2	REAL300006132241	1	50	0.0	-71.26	382.44	9.68	-61.58
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)=C1	REAL300006132242	0	46	0.0	-47.16	367.98	6.98	-40.18
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=C1	REAL300006132242	1	46	0.0	-47.16	367.98	6.98	-40.18
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])N1C)C2	REAL300006132243	0	44	0.0	-69.84	342.39	7.73	-62.11
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C(=O)[O-])N1C)C2	REAL300006132243	1	44	0.0	-69.84	342.39	7.73	-62.11
CN(C)C1=NC=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC=CC1)C2	REAL300006132244	0	44	0.0	-48.23	331.67	7.87	-40.36
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC=CC1)C2	REAL300006132244	1	44	0.0	-48.23	331.67	7.87	-40.36
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C2	REAL300006132245	0	49	0.0	-66.90	386.12	10.14	-56.76
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C2	REAL300006132245	1	49	0.0	-66.90	386.12	10.14	-56.76
CN(C)C1=NC=CC2=C1CCN(C(=O)CC1(CC(=O)[O-])CC1)C2	REAL300006132247	0	46	0.0	-62.59	356.66	8.62	-53.97
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1(CC(=O)[O-])CC1)C2	REAL300006132247	1	46	0.0	-62.59	356.66	8.62	-53.97
CN(C)C1=NC=CC2=C1CCN(C(=O)C1CC3(C1)C(C(=O)[O-])C3(F)F)C2	REAL300006132248	0	47	0.0	-58.29	376.73	9.38	-48.91
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1CC3(C1)C(C(=O)[O-])C3(F)F)C2	REAL300006132248	1	47	0.0	-58.29	376.73	9.38	-48.91
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CSC(C(=O)[O-])=N1)C2	REAL300006132249	0	39	0.0	-46.47	329.40	6.53	-39.94
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CSC(C(=O)[O-])=N1)C2	REAL300006132249	1	39	0.0	-46.47	329.40	6.53	-39.94
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C2	REAL300006132250	0	43	0.0	-78.77	334.03	8.65	-70.12
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C2	REAL300006132250	1	43	0.0	-78.77	334.03	8.65	-70.12
CC1=C(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)C=C(C(=O)[O-])S1	REAL300006132251	0	43	0.0	-57.64	353.11	8.37	-49.27
CC1=C(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)C=C(C(=O)[O-])S1	REAL300006132251	1	43	0.0	-57.64	353.11	8.37	-49.27
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC3=C(SC(C(=O)[O-])=C3)S1)C2	REAL300006132252	0	43	0.0	-72.69	369.43	9.02	-63.67
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC3=C(SC(C(=O)[O-])=C3)S1)C2	REAL300006132252	1	43	0.0	-72.69	369.43	9.02	-63.67
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)=C1	REAL300006132253	0	47	0.0	-70.18	382.27	8.17	-62.01
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)=C1	REAL300006132253	1	47	0.0	-70.18	382.27	8.17	-62.01
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132254	0	46	0.0	-57.57	367.25	9.15	-48.42
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132254	1	46	0.0	-57.57	367.25	9.15	-48.42
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC3=C(C(=O)[O-])C=CC=C3S1)C2	REAL300006132255	0	46	0.0	-80.11	375.65	9.79	-70.32
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC3=C(C(=O)[O-])C=CC=C3S1)C2	REAL300006132255	1	46	0.0	-80.11	375.65	9.79	-70.32
CN(C)C1=NC=CC2=C1CCN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C2	REAL300006132256	0	48	0.0	-69.61	376.67	8.38	-61.23
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C2	REAL300006132256	1	48	0.0	-69.61	376.67	8.38	-61.23
CN(C)C1=NC=CC2=C1CCN(C(=O)C13CC(C(=O)[O-])(C1)CO3)C2	REAL300006132257	0	45	0.0	-64.12	350.77	6.72	-57.40
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C13CC(C(=O)[O-])(C1)CO3)C2	REAL300006132257	1	45	0.0	-64.12	350.77	6.72	-57.40
CN(C)C1=NC=CC2=C1CCN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132258	0	47	0.0	-75.30	376.36	10.07	-65.23
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C2	REAL300006132258	1	47	0.0	-75.30	376.36	10.07	-65.23
CC1CC1(C(=O)[O-])C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132259	0	43	0.0	-60.12	335.15	7.78	-52.34
CC1CC1(C(=O)[O-])C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132259	1	43	0.0	-60.12	335.15	7.78	-52.34
CN(C)C1=NC=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300006132260	0	50	0.0	-58.57	372.77	9.22	-49.35
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300006132260	1	50	0.0	-58.57	372.77	9.22	-49.35
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=C(C(=O)[O-])C=NN1C)C2	REAL300006132261	0	43	0.0	-65.29	349.67	6.20	-59.09
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C(C(=O)[O-])C=NN1C)C2	REAL300006132261	1	43	0.0	-65.29	349.67	6.20	-59.09
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CS3)C2	REAL300006132262	0	44	0.0	-55.83	364.64	8.07	-47.76
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CS3)C2	REAL300006132262	1	44	0.0	-55.83	364.64	8.07	-47.76
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC3=C(C=C(C(=O)[O-])S3)N1)C2	REAL300006132263	0	44	0.0	-69.51	364.84	8.21	-61.30
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC3=C(C=C(C(=O)[O-])S3)N1)C2	REAL300006132263	1	44	0.0	-69.51	364.84	8.21	-61.30
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CO3)C2	REAL300006132264	0	44	0.0	-57.51	355.95	7.21	-50.30
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CO3)C2	REAL300006132264	1	44	0.0	-57.51	355.95	7.21	-50.30
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132265	0	46	0.0	-73.10	355.27	9.06	-64.04
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132265	1	46	0.0	-73.10	355.27	9.06	-64.04
CN(C)C1=NC=CC2=C1CCN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C2	REAL300006132266	0	46	0.0	-75.25	372.22	8.30	-66.95
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C2	REAL300006132266	1	46	0.0	-75.25	372.22	8.30	-66.95
C=C1CCC1(C(=O)[O-])C(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132267	0	44	0.0	-50.28	333.67	7.64	-42.64
C=C1CCC1(C(=O)[O-])C(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132267	1	44	0.0	-50.28	333.67	7.64	-42.64
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CS1)C2	REAL300006132268	0	40	0.0	-74.70	333.57	7.52	-67.18
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC(C(=O)[O-])=CS1)C2	REAL300006132268	1	40	0.0	-74.70	333.57	7.52	-67.18
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])C2	REAL300006132269	0	48	0.0	-70.49	361.84	7.56	-62.93
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])C2	REAL300006132269	1	48	0.0	-70.49	361.84	7.56	-62.93
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)C2	REAL300006132270	0	49	0.0	-72.14	381.36	10.59	-61.55
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)C2	REAL300006132270	1	49	0.0	-72.14	381.36	10.59	-61.55
CC(C)[C@]1(C(=O)N2CCC3=C(C=CN=C3N(C)C)C2)C[C@H]1C(=O)[O-]	REAL300006132271	0	49	0.0	-64.04	366.09	8.54	-55.50
CC(C)[C@]1(C(=O)N2CCC3=C(C=C[NH+]=C3N(C)C)C2)C[C@H]1C(=O)[O-]	REAL300006132271	1	49	0.0	-64.04	366.09	8.54	-55.50
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC2=C(C=CN=C2N(C)C)C1	REAL300006132272	0	49	0.0	-87.46	384.45	10.05	-77.41
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1	REAL300006132272	1	49	0.0	-87.46	384.45	10.05	-77.41
CN(C)C1=NC=CC2=C1CCN(C(=O)CC1=CC(C(=O)[O-])=CS1)C2	REAL300006132273	0	43	0.0	-83.18	359.29	8.74	-74.44
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1=CC(C(=O)[O-])=CS1)C2	REAL300006132273	1	43	0.0	-83.18	359.29	8.74	-74.44
CN(C)C1=NC=CC2=C1CCN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C2	REAL300006132274	0	46	0.0	-89.32	372.28	9.61	-79.71
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C2	REAL300006132274	1	46	0.0	-89.32	372.28	9.61	-79.71
CN(C)C1=NC=CC2=C1CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C2	REAL300006132275	0	46	0.0	-67.45	349.23	8.39	-59.06
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C2	REAL300006132275	1	46	0.0	-67.45	349.23	8.39	-59.06
CN(C)C1=NC=CC2=C1CCN(C(=O)C1=C3CCCCC3=C(C(=O)[O-])S1)C2	REAL300006132276	0	50	0.0	-61.97	391.08	10.09	-51.88
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=C3CCCCC3=C(C(=O)[O-])S1)C2	REAL300006132276	1	50	0.0	-61.97	391.08	10.09	-51.88
CN(C)C1=NC=CC2=C1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300006132277	0	53	0.0	-70.37	378.10	9.21	-61.16
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300006132277	1	53	0.0	-70.37	378.10	9.21	-61.16
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=CC=CC4=C3C(CCC4)C2)C1	REAL300006132354	0	51	0.0	-48.13	373.74	11.06	-37.07
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC4=C3C(CCC4)C2)C1	REAL300006132354	1	51	0.0	-48.13	373.74	11.06	-37.07
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006133440	0	59	0.0	-75.16	437.84	12.31	-62.85
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006134738	0	53	0.0	-70.90	389.77	10.20	-60.70
CC1=[NH+]C=C2CCC(C(=O)NC(CC3CCCCC3)C(=O)[O-])CN21	REAL300006134765	1	51	0.0	-62.29	384.38	9.80	-52.49
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3CCCCC3)C(=O)[O-])CC2)=CS1	REAL300006134828	1	58	0.0	-74.94	445.26	10.07	-64.87
CC(C(=O)NC(CC1CCCCC1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006134829	1	54	0.0	-70.41	387.70	6.90	-63.51
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300006134900	0	62	0.0	-77.93	470.52	11.93	-66.00
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006134956	0	44	0.0	-69.37	346.72	10.68	-58.69
C[NH+](C)CC1(C(=O)NC(CC2CCCCC2)C(=O)[O-])CCCCC1	REAL300006134984	0	58	0.0	-65.89	388.21	11.40	-54.49
C[N@H+](CCC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCCCC1	REAL300006134988	0	58	0.0	-66.13	415.22	10.69	-55.44
C[N@@H+](CCC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCCCC1	REAL300006134988	1	58	0.0	-65.53	414.93	10.74	-54.79
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006135047	0	52	0.0	-79.98	405.98	9.73	-70.25
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006135062	0	60	0.0	-70.73	421.70	9.27	-61.46
CC1=[NH+]C=CN1CCCC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300006135089	1	50	0.0	-67.54	387.72	9.98	-57.56
O=C(CCCC[NH+]1CCOCC1)NC(CC1CCCCC1)C(=O)[O-]	REAL300006135090	1	56	0.0	-74.66	415.07	8.68	-65.98
CC[N@H+](CC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1)C(C)C	REAL300006135091	0	61	0.0	-80.74	435.40	11.81	-68.93
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1)C(C)C	REAL300006135091	1	61	0.0	-78.86	433.38	11.80	-67.06
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006135111	0	56	0.0	-65.02	419.12	11.50	-53.52
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006135111	1	56	0.0	-67.55	420.39	11.50	-56.05
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006135112	0	57	0.0	-78.63	416.53	10.71	-67.92
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(CC1CCCCC1)C(=O)[O-]	REAL300006135140	0	60	0.0	-67.89	413.54	8.93	-58.96
CCC(C(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+](CC)CC	REAL300006135144	0	54	0.0	-55.04	378.44	9.27	-45.77
CC(C(=O)NC(CC1CCCCC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006135146	0	55	0.0	-61.94	410.83	11.12	-50.82
CC(C(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006135146	1	55	0.0	-58.53	411.71	11.04	-47.49
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006135153	0	62	0.0	-62.07	454.15	13.35	-48.72
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006135153	1	62	0.0	-57.65	454.16	13.34	-44.31
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=N1	REAL300006135167	0	51	0.0	-76.18	390.50	8.78	-67.40
CCC[NH+](CCC)CCCC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300006135174	0	60	0.0	-69.59	434.98	11.02	-58.57
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300006135183	1	50	0.0	-58.02	382.40	9.81	-48.21
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006135197	0	56	0.0	-82.26	419.47	11.78	-70.48
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006135202	0	59	0.0	-73.52	436.52	12.42	-61.10
CCN1CCC([NH+]2CCC(C(=O)NC(CC3CCCCC3)C(=O)[O-])CC2)CC1	REAL300006135207	0	67	0.0	-69.68	467.68	9.80	-59.88
O=C([O-])C(CC1CCCCC1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006135226	1	60	0.0	-79.50	444.34	11.56	-67.94
O=C([O-])C(CC1CCCCC1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006135226	1	60	0.0	-78.46	450.89	11.67	-66.79
CC1=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006135240	1	50	0.0	-79.99	392.51	8.97	-71.02
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006135243	0	59	0.0	-81.18	435.33	12.42	-68.76
O=C([O-])C(CC1CCCCC1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006135254	1	52	0.0	-77.53	399.96	9.25	-68.28
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300006135255	0	55	0.0	-86.47	417.39	11.40	-75.07
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300006135261	1	48	0.0	-57.58	365.23	8.20	-49.38
O=C([O-])C(CC1CCCCC1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006135262	1	57	0.0	-74.54	418.67	10.78	-63.76
O=C([O-])C(CC1CCCCC1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006135262	1	57	0.0	-78.54	430.06	11.14	-67.40
C[N@H+](CC(=O)NC(CC1CCCCC1)C(=O)[O-])CC(C)(C)C	REAL300006135310	0	54	0.0	-57.70	385.55	9.61	-48.09
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CCC[N@H+]1CCCCC1CNC(=O)CCSCC(=O)[O-]	REAL300006145978	1	46	0.0	-69.42	358.16	8.21	-61.21
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006145979	0	45	0.0	-60.64	345.62	7.26	-53.38
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006145979	1	45	0.0	-60.64	345.63	7.25	-53.39
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300006145980	0	46	0.0	-84.45	344.35	6.20	-78.25
CCC[N@H+]1CCCCC1CNC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300006145980	1	46	0.0	-84.62	344.35	6.20	-78.42
CCC[N@@H+]1CCCCC1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300006145981	0	50	0.0	-79.20	370.59	8.53	-70.67
CCC[N@H+]1CCCCC1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300006145981	1	50	0.0	-75.67	370.35	8.53	-67.14
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006145982	0	49	0.0	-70.92	365.95	9.09	-61.83
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006145982	1	49	0.0	-69.94	370.51	9.79	-60.15
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006145983	0	50	0.0	-75.40	375.84	9.61	-65.79
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006145983	1	50	0.0	-74.80	380.40	10.32	-64.48
CCC[N@@H+]1CCCCC1CNC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006145984	0	47	0.0	-74.26	363.20	7.80	-66.46
CCC[N@H+]1CCCCC1CNC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006145984	1	47	0.0	-74.29	363.31	7.78	-66.51
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300006145985	0	52	0.0	-75.96	378.48	9.82	-66.14
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300006145985	1	52	0.0	-77.54	382.92	10.51	-67.03
CCC[N@@H+]1CCCCC1CNC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006145986	0	49	0.0	-82.09	376.52	4.06	-78.03
CCC[N@H+]1CCCCC1CNC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006145986	1	49	0.0	-79.41	381.09	4.76	-74.65
CCC[N@@H+]1CCCCC1CNC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006145987	0	47	0.0	-70.03	364.74	8.16	-61.87
CCC[N@H+]1CCCCC1CNC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006145987	1	47	0.0	-69.97	364.84	8.15	-61.82
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300006145988	0	49	0.0	-82.80	360.24	8.90	-73.90
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300006145988	1	49	0.0	-81.75	359.58	8.84	-72.91
CCC[N@@H+]1CCCCC1CNC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006145989	0	45	0.0	-74.81	343.44	7.22	-67.59
CCC[N@H+]1CCCCC1CNC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006145989	1	45	0.0	-75.29	338.16	6.70	-68.59
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC(C(=O)[O-])=CN=C1C	REAL300006145990	0	48	0.0	-61.03	355.31	7.19	-53.84
CCC[N@H+]1CCCCC1CNC(=O)C1=CC(C(=O)[O-])=CN=C1C	REAL300006145990	1	48	0.0	-60.66	354.94	7.16	-53.50
CCC[N@@H+]1CCCCC1CNC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006145991	0	46	0.0	-90.94	354.42	7.18	-83.76
CCC[N@H+]1CCCCC1CNC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006145991	1	46	0.0	-93.06	354.39	7.19	-85.87
CCC[N@@H+]1CCCCC1CNC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006145992	0	52	0.0	-90.77	393.45	7.86	-82.91
CCC[N@H+]1CCCCC1CNC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006145992	1	52	0.0	-92.35	397.91	8.53	-83.82
CCC[N@@H+]1CCCCC1CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300006145993	0	53	0.0	-80.81	387.77	8.25	-72.56
CCC[N@H+]1CCCCC1CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300006145993	1	53	0.0	-80.72	387.76	8.24	-72.48
CCC[N@@H+]1CCCCC1CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006145994	0	53	0.0	-71.62	386.25	7.13	-64.49
CCC[N@H+]1CCCCC1CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006145994	1	53	0.0	-73.38	385.83	7.28	-66.10
CCC[N@@H+]1CCCCC1CNC(=O)C1=C(C)C=C(C(=O)[O-])O1	REAL300006145995	0	46	0.0	-61.95	348.01	7.39	-54.56
CCC[N@H+]1CCCCC1CNC(=O)C1=C(C)C=C(C(=O)[O-])O1	REAL300006145995	1	46	0.0	-62.18	348.48	7.41	-54.77
CCC[N@@H+]1CCCCC1CNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006145996	0	54	0.0	-47.49	372.27	9.98	-37.51
CCC[N@H+]1CCCCC1CNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006145996	1	54	0.0	-55.14	373.43	9.43	-45.71
CCC[N@@H+]1CCCCC1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300006145997	0	52	0.0	-73.29	361.60	9.75	-63.54
CCC[N@H+]1CCCCC1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300006145997	1	52	0.0	-73.19	360.23	8.87	-64.32
CCC[N@@H+]1CCCCC1CNC(=O)CN1CCCC(C(=O)[O-])C1	REAL300006145998	1	54	0.0	-73.88	377.89	6.16	-67.72
CCC[N@H+]1CCCCC1CNC(=O)CN1CCCC(C(=O)[O-])C1	REAL300006145998	1	54	0.0	-76.74	383.78	6.59	-70.15
CCC[N@@H+]1CCCCC1CNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300006145999	0	53	0.0	-55.09	396.82	10.72	-44.37
CCC[N@H+]1CCCCC1CNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300006145999	1	53	0.0	-65.20	395.97	9.96	-55.24
CCC[N@@H+]1CCCCC1CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006146000	0	53	0.0	-80.15	395.92	9.03	-71.12
CCC[N@H+]1CCCCC1CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006146000	1	53	0.0	-79.11	396.38	9.05	-70.06
CCC[N@@H+]1CCCCC1CNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006146001	0	53	0.0	-91.40	401.78	10.44	-80.96
CCC[N@H+]1CCCCC1CNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006146001	1	53	0.0	-94.12	406.35	11.14	-82.98
CCC[N@@H+]1CCCCC1CNC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006146002	0	50	0.0	-70.82	369.36	9.35	-61.47
CCC[N@H+]1CCCCC1CNC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006146002	1	50	0.0	-79.65	371.71	9.39	-70.26
CCC[N@@H+]1CCCCC1CNC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	REAL300006146003	0	52	0.0	-75.20	375.17	9.47	-65.73
CCC[N@H+]1CCCCC1CNC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	REAL300006146003	1	52	0.0	-74.59	376.00	9.47	-65.12
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300006146004	0	49	0.0	-57.57	364.03	9.69	-47.88
CCC[N@H+]1CCCCC1CNC(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300006146004	1	49	0.0	-62.04	359.63	8.98	-53.06
CCC[N@@H+]1CCCCC1CNC(=O)C1=C(C(=O)[O-])SC=C1	REAL300006146005	0	43	0.0	-78.12	331.03	8.32	-69.80
CCC[N@H+]1CCCCC1CNC(=O)C1=C(C(=O)[O-])SC=C1	REAL300006146005	1	43	0.0	-72.65	332.62	8.19	-64.46
CCC[N@@H+]1CCCCC1CNC(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300006146006	0	48	0.0	-73.51	349.40	7.10	-66.41
CCC[N@H+]1CCCCC1CNC(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300006146006	1	48	0.0	-73.98	349.87	7.10	-66.88
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300006146007	0	49	0.0	-74.60	359.88	9.01	-65.59
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300006146007	1	49	0.0	-74.67	359.97	9.02	-65.65
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006146008	0	46	0.0	-73.21	356.74	8.85	-64.36
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006146008	1	46	0.0	-73.24	356.71	8.85	-64.39
CCC[N@@H+]1CCCCC1CNC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300006146009	0	53	0.0	-73.51	384.38	9.17	-64.34
CCC[N@H+]1CCCCC1CNC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300006146009	1	53	0.0	-73.49	384.42	9.16	-64.33
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1	REAL300006146010	0	49	0.0	-52.97	376.17	6.61	-46.36
CCC[N@H+]1CCCCC1CNC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1	REAL300006146010	1	49	0.0	-52.93	376.07	6.58	-46.35
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300006146011	0	47	0.0	-64.19	347.59	8.44	-55.75
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300006146011	1	47	0.0	-63.61	348.14	8.45	-55.16
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006146012	0	52	0.0	-72.93	387.34	9.90	-63.03
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006146012	1	52	0.0	-72.58	391.90	10.60	-61.98
CCC[N@@H+]1CCCCC1CNC(=O)C1=C(C(=O)[O-])C(C)=NN1	REAL300006146013	0	46	0.0	-75.19	339.79	6.17	-69.02
CCC[N@H+]1CCCCC1CNC(=O)C1=C(C(=O)[O-])C(C)=NN1	REAL300006146013	1	46	0.0	-72.92	343.76	6.81	-66.11
CCC[N@@H+]1CCCCC1CNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006146014	0	50	0.0	-68.12	377.41	8.79	-59.33
CCC[N@H+]1CCCCC1CNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006146014	1	50	0.0	-60.89	382.40	9.51	-51.38
CCC[N@@H+]1CCCCC1CNC(=O)C1=CSC(C(=O)[O-])=N1	REAL300006146015	0	42	0.0	-52.88	337.89	6.15	-46.73
CCC[N@H+]1CCCCC1CNC(=O)C1=CSC(C(=O)[O-])=N1	REAL300006146015	1	42	0.0	-52.80	337.89	6.14	-46.66
CCC[N@@H+]1CCCCC1CNC(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300006146016	0	46	0.0	-62.95	354.19	8.17	-54.78
CCC[N@H+]1CCCCC1CNC(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300006146016	1	46	0.0	-63.22	353.49	8.17	-55.05
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006146017	0	46	0.0	-75.15	374.07	8.93	-66.22
CCC[N@H+]1CCCCC1CNC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006146017	1	46	0.0	-75.21	374.04	8.91	-66.30
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl	REAL300006146018	0	50	0.0	-75.05	385.92	8.68	-66.37
CCC[N@H+]1CCCCC1CNC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl	REAL300006146018	1	50	0.0	-75.12	385.94	8.69	-66.43
CCC[N@@H+]1CCCCC1CNC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C	REAL300006146019	0	49	0.0	-62.53	372.10	9.29	-53.24
CCC[N@H+]1CCCCC1CNC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C	REAL300006146019	1	49	0.0	-60.38	372.06	9.29	-51.09
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006146020	0	49	0.0	-80.77	378.93	9.59	-71.18
CCC[N@H+]1CCCCC1CNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006146020	1	49	0.0	-81.30	379.41	9.61	-71.69
CCC[N@@H+]1CCCCC1CNC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006146021	0	51	0.0	-72.39	377.75	7.82	-64.57
CCC[N@H+]1CCCCC1CNC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006146021	1	51	0.0	-65.85	381.30	8.47	-57.38
CCC[N@@H+]1CCCCC1CNC(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300006146022	0	48	0.0	-64.90	358.13	6.60	-58.30
CCC[N@H+]1CCCCC1CNC(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300006146022	1	48	0.0	-63.97	353.07	6.05	-57.92
CCC[N@@H+]1CCCCC1CNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006146023	0	50	0.0	-77.33	382.81	10.20	-67.13
CCC[N@H+]1CCCCC1CNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006146023	1	50	0.0	-78.07	378.74	9.51	-68.56
CCC[N@@H+]1CCCCC1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300006146024	0	53	0.0	-44.18	379.46	9.72	-34.46
CCC[N@H+]1CCCCC1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300006146024	1	53	0.0	-52.36	380.44	9.58	-42.78
CCC[N@@H+]1CCCCC1CNC(=O)C1=C(C(=O)[O-])C=NN1C	REAL300006146025	0	46	0.0	-80.75	338.05	7.10	-73.65
CCC[N@H+]1CCCCC1CNC(=O)C1=C(C(=O)[O-])C=NN1C	REAL300006146025	1	46	0.0	-81.26	338.39	7.08	-74.18
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006146026	0	47	0.0	-64.41	368.93	7.31	-57.10
CCC[N@H+]1CCCCC1CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006146026	1	47	0.0	-64.53	369.40	7.35	-57.18
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006146027	0	47	0.0	-76.04	369.61	7.50	-68.54
CCC[N@H+]1CCCCC1CNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006146027	1	47	0.0	-76.02	369.60	7.49	-68.53
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006146028	0	47	0.0	-66.32	360.78	6.49	-59.83
CCC[N@H+]1CCCCC1CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006146028	1	47	0.0	-66.33	360.77	6.48	-59.85
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300006146029	0	49	0.0	-80.60	354.22	8.91	-71.69
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300006146029	1	49	0.0	-80.15	358.30	9.55	-70.60
CCC[N@@H+]1CCCCC1CNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006146030	0	49	0.0	-79.05	374.04	7.73	-71.32
CCC[N@H+]1CCCCC1CNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006146030	1	49	0.0	-79.40	374.53	7.76	-71.64
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC(C(=O)[O-])=CS1	REAL300006146031	0	43	0.0	-78.12	337.48	7.36	-70.76
CCC[N@H+]1CCCCC1CNC(=O)C1=CC(C(=O)[O-])=CS1	REAL300006146031	1	43	0.0	-78.11	337.45	7.35	-70.76
CCC[N@@H+]1CCCCC1CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300006146032	0	51	0.0	-64.33	370.62	6.99	-57.34
CCC[N@H+]1CCCCC1CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300006146032	1	51	0.0	-65.15	364.67	6.40	-58.75
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006146033	0	52	0.0	-81.39	380.27	10.41	-70.98
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006146033	1	52	0.0	-80.77	379.86	10.36	-70.41
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CN1CC[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=C2)CC1	REAL300006154086	1	59	0.0	-84.35	433.10	9.34	-75.01
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CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300006154095	0	53	0.0	-73.46	377.64	9.37	-64.09
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CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300006154208	0	50	0.0	-57.52	355.74	8.42	-49.10
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300006154209	0	50	0.0	-77.41	375.02	10.04	-67.37
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CC2CCC1C2	REAL300006154210	0	57	0.0	-63.49	411.00	12.03	-51.46
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CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300006154263	1	55	0.0	-65.72	394.98	7.16	-58.56
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300006154270	1	51	0.0	-62.52	384.55	9.87	-52.65
CC(C(=O)NC(C(=O)[O-])C1CC2CCC1C2)[NH+]1CCCCCC1	REAL300006154301	0	53	0.0	-59.04	365.54	9.19	-49.85
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)=CC=C1N2	REAL300006154335	1	55	0.0	-84.39	412.02	10.41	-73.98
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)O1	REAL300006154378	0	53	0.0	-73.78	396.23	9.72	-64.06
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CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)CC2)[NH+]=C1	REAL300006154381	1	56	0.0	-71.20	410.90	9.63	-61.57
C[N@H+](CC(=O)NC(C(=O)[O-])C1CC2CCC1C2)CC1=CC=CC=C1	REAL300006154382	1	50	0.0	-62.40	373.53	10.14	-52.26
C[N@@H+](CC(=O)NC(C(=O)[O-])C1CC2CCC1C2)CC1=CC=CC=C1	REAL300006154382	1	50	0.0	-63.89	375.42	10.13	-53.76
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=C2)CC1	REAL300006154386	0	62	0.0	-84.19	442.08	10.46	-73.73
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C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=NO1	REAL300006154426	1	46	0.0	-80.12	356.80	7.51	-72.61
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300006154430	0	57	0.0	-69.55	414.35	11.50	-58.05
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300006154430	1	57	0.0	-66.76	410.32	11.15	-55.61
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300006154448	0	50	0.0	-63.24	346.45	8.72	-54.52
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300006154448	1	50	0.0	-56.20	343.98	8.50	-47.70
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300006154455	0	58	0.0	-85.37	441.19	11.00	-74.37
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300006154470	0	51	0.0	-78.90	376.82	8.64	-70.26
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CC2CCC1C2	REAL300006154475	0	54	0.0	-76.08	402.16	10.22	-65.86
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300006154623	0	53	0.0	-60.49	376.90	9.96	-50.53
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300006154623	1	53	0.0	-58.55	374.69	9.73	-48.82
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1CC2CCC1C2	REAL300006154651	1	51	0.0	-62.66	371.65	5.91	-56.75
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300006154835	0	53	0.0	-66.17	374.40	9.14	-57.03
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300006154835	1	53	0.0	-65.97	374.07	9.08	-56.89
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C(F)(F)F)C1	REAL300006154836	0	47	0.0	-70.79	342.41	8.64	-62.15
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C(F)(F)F)C1	REAL300006154836	1	47	0.0	-75.62	347.39	8.41	-67.21
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2CC3CCC2C3)N1	REAL300006154858	1	48	0.0	-62.45	368.46	8.02	-54.43
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300006155255	0	53	0.0	-81.33	399.36	10.86	-70.47
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300006155263	0	54	0.0	-82.14	404.81	9.84	-72.30
O=C([O-])C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC2CCC1C2	REAL300006155356	0	60	0.0	-73.16	438.83	12.67	-60.49
CC1C[N@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=C2)CCO1	REAL300006155358	1	58	0.0	-85.48	421.30	10.12	-75.36
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=C2)CCO1	REAL300006155358	1	58	0.0	-85.27	421.18	10.00	-75.27
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300006155388	0	53	0.0	-56.98	367.76	9.02	-47.96
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)=CN21	REAL300006155392	0	45	0.0	-67.66	350.73	10.01	-57.65
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300006155442	0	56	0.0	-66.37	399.70	10.44	-55.93
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300006155442	1	56	0.0	-66.94	400.00	10.21	-56.73
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300006155443	0	50	0.0	-67.12	360.52	8.96	-58.16
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300006155443	1	50	0.0	-54.95	348.88	8.77	-46.18
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)O1	REAL300006155449	1	47	0.0	-78.89	362.21	8.26	-70.63
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CC2CCC1C2	REAL300006155457	1	49	0.0	-62.57	352.66	9.10	-53.47
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1CC2CCC1C2	REAL300006155457	1	49	0.0	-61.41	352.90	8.76	-52.65
CC(C)(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC=CC=N1	REAL300006155527	0	50	0.0	-48.42	371.78	7.51	-40.91
CC(C)(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC=CC=N1	REAL300006155527	1	50	0.0	-45.81	364.28	7.06	-38.75
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC2=C(CCCCC2)S1	REAL300006155644	0	52	0.0	-46.93	394.73	8.07	-38.86
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC2=C(CCCCC2)S1	REAL300006155644	1	52	0.0	-45.18	396.52	8.58	-36.60
CCC1(C)CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300006155736	0	50	0.0	-46.81	366.14	6.75	-40.06
CCC1(C)CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300006155736	1	50	0.0	-47.08	372.05	6.74	-40.34
CCN(CC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006155835	0	46	0.0	-45.77	353.30	10.03	-35.74
CCN(CC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006155835	1	46	0.0	-49.05	354.17	10.49	-38.56
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(O)(C3=CC=CC=C3F)C2)C1	REAL300006155954	0	48	0.0	-48.53	367.23	6.95	-41.58
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(O)(C3=CC=CC=C3F)C2)C1	REAL300006155954	1	48	0.0	-45.42	360.56	6.55	-38.87
O=C([O-])CC1(CCNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1(F)F	REAL300006157287	0	53	0.0	-74.01	418.08	10.72	-63.29
O=C([O-])CC1(CCNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1(F)F	REAL300006157966	0	50	0.0	-55.66	398.22	10.14	-45.52
O=C([O-])CC1(CCNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1(F)F	REAL300006157966	1	50	0.0	-56.93	390.39	9.53	-47.40
O=C([O-])CC1(CCNC(=O)C2CC[NH+](C3CC3)CC2)CC1(F)F	REAL300006158895	0	47	0.0	-67.58	370.85	8.56	-59.02
O=C([O-])CC1(CCNC(=O)C2CCC[N@@H+]2C2CC2)CC1(F)F	REAL300006158924	0	44	0.0	-61.67	347.45	7.39	-54.28
O=C([O-])CC1(CCNC(=O)C2CCC[N@H+]2C2CC2)CC1(F)F	REAL300006158924	1	44	0.0	-54.28	347.48	7.80	-46.48
CC1=[NH+]C=C2CCC(C(=O)NCCC3(CC(=O)[O-])CC3(F)F)CN12	REAL300006158930	1	45	0.0	-67.47	363.54	8.18	-59.29
O=C([O-])CC1(CCNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1(F)F	REAL300006158931	0	53	0.0	-66.05	416.66	10.61	-55.44
C[N@@H+]1CCCCC1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006159013	0	43	0.0	-58.83	327.63	6.81	-52.02
C[N@H+]1CCCCC1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006159013	1	43	0.0	-61.97	339.01	7.07	-54.90
CC(C(=O)NCCC1(CC(=O)[O-])CC1(F)F)N1CC[NH+](C)CC1	REAL300006159014	1	48	0.0	-70.04	369.94	5.30	-64.74
C[N@@H+]1CCCC[C@H]1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006159058	0	43	0.0	-62.19	337.94	7.02	-55.17
C[N@H+]1CCCC[C@H]1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006159058	1	43	0.0	-65.48	329.61	6.90	-58.58
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCC2(CC(=O)[O-])CC2(F)F)C=C1	REAL300006159105	0	56	0.0	-71.74	446.46	10.13	-61.61
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CC1CCC(C)[NH+]1CC(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006160107	0	46	0.0	-58.30	349.55	7.40	-50.90
C[NH+](C)CC1=CC=CC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)=C1	REAL300006160108	0	46	0.0	-70.64	370.65	8.87	-61.77
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C[NH+](C)C1(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)CCC1	REAL300006160148	0	43	0.0	-65.38	327.57	7.03	-58.35
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CCC[N@@H+]1CCCCC1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006160184	0	49	0.0	-55.87	376.79	8.46	-47.41
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C[NH+](C)CC1=CC=CC=C1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006160185	0	46	0.0	-63.18	368.04	9.22	-53.96
CC[NH+]1CCN(CCC(=O)NCCC2(CC(=O)[O-])CC2(F)F)CC1	REAL300006160187	0	51	0.0	-70.08	395.10	6.11	-63.97
CCN1CC[NH+](CCC(=O)NCCC2(CC(=O)[O-])CC2(F)F)CC1	REAL300006160187	1	51	0.0	-65.57	391.10	6.04	-59.53
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CC(C)C1=[NH+]C=CN1CCC(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006160200	1	47	0.0	-59.52	377.90	8.53	-50.99
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CC[N@H+](CC(=O)NCCC1(CC(=O)[O-])CC1(F)F)C1CC1	REAL300006160208	0	43	0.0	-58.19	341.08	7.41	-50.78
CC[N@@H+](CC(=O)NCCC1(CC(=O)[O-])CC1(F)F)C1CC1	REAL300006160208	1	43	0.0	-59.16	338.07	7.38	-51.78
CC(C)C(C(=O)NCCC1(CC(=O)[O-])CC1(F)F)[NH+]1CC(C)OC(C)C1	REAL300006160238	1	56	0.0	-59.10	415.47	8.77	-50.33
CC(C(=O)NCCC1(CC(=O)[O-])CC1(F)F)[NH+]1CCCCCC1	REAL300006160239	0	49	0.0	-62.58	367.69	8.27	-54.31
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC3(CC(=O)[O-])CC3(F)F)=CC=C1N2	REAL300006160281	1	51	0.0	-78.87	406.54	9.30	-69.57
CC[NH+](CC)CC1=CC=C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)O1	REAL300006160332	0	49	0.0	-70.59	397.01	8.67	-61.92
O=C([O-])CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1(F)F	REAL300006160333	0	49	0.0	-67.53	383.81	8.70	-58.83
CC1=CC=C(N2CCC(C(=O)NCCC3(CC(=O)[O-])CC3(F)F)CC2)[NH+]=C1	REAL300006160335	1	52	0.0	-67.40	411.03	8.56	-58.84
C[N@H+](CC(=O)NCCC1(CC(=O)[O-])CC1(F)F)CC1=CC=CC=C1	REAL300006160336	1	46	0.0	-69.20	373.65	9.08	-60.12
C[N@@H+](CC(=O)NCCC1(CC(=O)[O-])CC1(F)F)CC1=CC=CC=C1	REAL300006160336	1	46	0.0	-65.10	371.59	8.98	-56.12
CC(C)[C@@H](C(=O)NCCC1(CC(=O)[O-])CC1(F)F)[NH+](C)C	REAL300006160347	0	45	0.0	-62.53	339.14	6.97	-55.56
O=C([O-])CC1(CCNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1(F)F	REAL300006160364	1	41	0.0	-77.57	356.30	6.93	-70.64
C[NH+](C)CC1=CC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)=NO1	REAL300006160394	1	42	0.0	-71.69	351.93	6.46	-65.23
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006160398	0	53	0.0	-69.80	421.61	10.46	-59.34
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006160398	1	53	0.0	-64.96	417.55	10.61	-54.35
CC(C)[N@@H+]1CCCC1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006160414	0	46	0.0	-55.03	357.87	7.66	-47.37
CC(C)[N@H+]1CCCC1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006160414	1	46	0.0	-63.80	349.28	7.73	-56.07
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCC2(CC(=O)[O-])CC2(F)F)C=C1	REAL300006160422	0	54	0.0	-74.20	434.98	9.85	-64.35
C[NH+]1CCC(OCC(=O)NCCC2(CC(=O)[O-])CC2(F)F)CC1	REAL300006160441	0	47	0.0	-72.16	372.44	7.48	-64.68
O=C([O-])CC1(CCNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1(F)F	REAL300006160446	0	50	0.0	-72.61	403.14	9.18	-63.43
CCC[N@@H+]1CCCC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006160645	0	49	0.0	-61.80	374.12	8.69	-53.11
CCC[N@H+]1CCCC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006160645	1	49	0.0	-63.04	374.49	8.71	-54.33
CC(C)C[N@@H+]1CCCC1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006160677	0	49	0.0	-64.90	369.08	8.84	-56.06
CC(C)C[N@H+]1CCCC1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006160677	1	49	0.0	-62.51	381.34	8.66	-53.85
O=C([O-])CC1(CCNC(=O)C[NH+]2CCC(CO)CC2)CC1(F)F	REAL300006160678	0	47	0.0	-63.05	366.28	4.56	-58.49
O=C([O-])CC1(CCNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1(F)F	REAL300006160785	0	54	0.0	-63.21	426.57	10.99	-52.22
O=C([O-])CC1(CCNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1(F)F	REAL300006160785	1	54	0.0	-72.78	426.44	10.93	-61.85
O=C([O-])CC1(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1(F)F	REAL300006160830	1	53	0.0	-65.46	421.14	10.69	-54.77
O=C([O-])CC1(CCNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1(F)F	REAL300006160830	1	53	0.0	-69.05	421.45	10.68	-58.37
CC(C)[N@@H+]1CCCC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006160921	0	49	0.0	-65.47	375.52	8.26	-57.21
CC(C)[N@H+]1CCCC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006160921	1	49	0.0	-62.45	371.38	8.18	-54.27
C[N@@H+]1CC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C(C(F)(F)F)C1	REAL300006160922	0	43	0.0	-61.92	360.27	7.32	-54.60
C[N@H+]1CC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C(C(F)(F)F)C1	REAL300006160922	1	43	0.0	-80.28	353.14	6.93	-73.35
CC1=C(C)[NH+]=C(CCC(=O)NCCC2(CC(=O)[O-])CC2(F)F)N1	REAL300006160947	1	44	0.0	-59.98	362.72	6.67	-53.31
C[NH+](C)CCC1=CC=CC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)=C1	REAL300006161458	0	49	0.0	-72.50	393.13	9.71	-62.79
C[NH+](C)CCOC1=CC=C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C=C1	REAL300006161466	0	50	0.0	-75.68	402.82	8.66	-67.02
O=C([O-])CC1(CCNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1(F)F	REAL300006161564	0	56	0.0	-69.40	436.70	11.42	-57.98
CC1CN(CC2=CC=C(C(=O)NCCC3(CC(=O)[O-])CC3(F)F)C=C2)CCO1	REAL300006161566	0	54	0.0	-84.37	421.23	9.08	-75.29
CC1C[N@H+](CC2=CC=C(C(=O)NCCC3(CC(=O)[O-])CC3(F)F)C=C2)CCO1	REAL300006161566	1	54	0.0	-84.50	421.28	9.08	-75.42
CC1C[N@@H+](CC2=CC=C(C(=O)NCCC3(CC(=O)[O-])CC3(F)F)C=C2)CCO1	REAL300006161566	1	54	0.0	-84.50	421.28	9.08	-75.42
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006161611	0	43	0.0	-67.59	346.55	7.21	-60.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCC2(CC(=O)[O-])CC2(F)F)CC1	REAL300006161615	0	49	0.0	-73.74	368.19	8.12	-65.62
CC1=[NH+]C=C2C=CC(C(=O)NCCC3(CC(=O)[O-])CC3(F)F)=CN21	REAL300006161619	0	41	0.0	-65.88	348.58	8.76	-57.12
CC(C)C[N@@H+]1CCCC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006161684	0	52	0.0	-56.07	391.18	9.36	-46.71
CC(C)C[N@H+]1CCCC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006161684	1	52	0.0	-66.35	397.83	9.19	-57.16
CC[N@@H+]1CCCC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006161685	0	46	0.0	-66.57	358.89	7.75	-58.82
CC[N@H+]1CCCC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006161685	1	46	0.0	-67.13	358.87	7.75	-59.38
C[N@@H+]1CCCC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006161689	0	43	0.0	-55.41	333.19	7.21	-48.20
C[N@H+]1CCCC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006161689	1	43	0.0	-69.09	341.21	7.08	-62.01
C[NH+](C)CC1=CC=C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)O1	REAL300006161691	1	43	0.0	-73.24	360.48	7.20	-66.04
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006161697	0	52	0.0	-69.52	382.45	8.51	-61.01
C[N@H+]1CCCC(C(C)(C)C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C1	REAL300006161697	1	52	0.0	-69.05	382.47	8.52	-60.53
O=C([O-])CC1(CCNC(=O)C23CC(C2)C[N@H+]3C2CC2)CC1(F)F	REAL300006161700	1	45	0.0	-62.11	352.71	8.73	-53.38
CC1=CC=C(C2(C)CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300006161785	0	56	0.0	-48.03	402.46	11.73	-36.30
CC1=CC=C(C2(C)CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300006161785	1	56	0.0	-44.85	394.98	11.26	-33.59
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CCSC3)C2)C1	REAL300006161880	0	45	0.0	-50.45	343.56	8.72	-41.73
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O=C([O-])[C@H]1CC[C@@H](NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CC1	REAL300006165727	0	58	0.0	-70.59	427.01	9.81	-60.78
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CC1	REAL300006165727	1	58	0.0	-67.11	424.16	10.22	-56.89
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300006165734	0	50	0.0	-63.61	354.56	6.87	-56.74
CC(C)[N@@H+]1CCC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(C2=CN(C)N=C2)C1	REAL300006165737	0	59	0.0	-71.22	423.28	9.14	-62.08
CC(C)[N@H+]1CCC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(C2=CN(C)N=C2)C1	REAL300006165737	1	59	0.0	-69.92	416.57	9.22	-60.70
CN1C=C(C2C[N@H+](C)CCC2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=N1	REAL300006165738	0	53	0.0	-69.92	389.80	8.09	-61.83
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=N1	REAL300006165738	1	53	0.0	-74.76	389.82	8.09	-66.67
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=C2)CC1	REAL300006165744	0	55	0.0	-70.60	410.19	8.62	-61.98
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2)CC1	REAL300006165745	0	55	0.0	-72.49	410.16	8.63	-63.86
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2)CC1	REAL300006165745	1	55	0.0	-71.85	409.64	8.51	-63.34
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300006165746	0	56	0.0	-69.50	416.55	10.34	-59.16
O=C(N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006165847	0	57	0.0	-73.66	423.47	8.32	-65.34
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300006165851	0	46	0.0	-71.17	350.24	9.16	-62.01
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006165852	0	53	0.0	-61.77	386.97	11.04	-50.73
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006165852	1	53	0.0	-64.49	394.50	10.89	-53.60
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300006165908	0	46	0.0	-58.63	344.27	9.42	-49.21
CC[NH+]1CCN(CCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300006165910	0	51	0.0	-66.62	370.18	6.27	-60.35
CCN1CC[NH+](CCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300006165910	1	51	0.0	-63.52	370.86	6.23	-57.29
CC(C)C(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300006165913	0	52	0.0	-53.84	361.11	9.11	-44.73
C[NH+](C)C(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006165914	1	46	0.0	-61.61	346.78	9.16	-52.45
O=C(N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006165918	0	51	0.0	-62.20	387.20	7.16	-55.04
O=C(N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006165918	1	51	0.0	-63.48	386.74	7.16	-56.32
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300006165923	1	47	0.0	-58.10	357.53	8.80	-49.30
C[NH+](C)CC1=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300006165924	0	49	0.0	-67.84	371.34	9.48	-58.36
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300006165928	0	50	0.0	-59.88	348.64	9.56	-50.32
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300006165928	1	50	0.0	-59.88	351.61	9.11	-50.77
CC(C)C(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300006165952	1	56	0.0	-59.76	386.85	8.59	-51.17
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=CC=C1N2	REAL300006165980	1	51	0.0	-76.48	386.58	9.60	-66.88
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=CC=C1N2	REAL300006165980	1	51	0.0	-76.26	386.54	9.61	-66.65
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)O1	REAL300006166032	0	49	0.0	-66.00	372.43	8.83	-57.17
CC1=CC=C(N2CCC(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300006166033	1	52	0.0	-62.30	387.44	8.78	-53.52
C[N@H+](CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300006166034	1	46	0.0	-64.11	350.06	9.30	-54.81
C[N@@H+](CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300006166034	1	46	0.0	-63.83	350.12	9.30	-54.53
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2)CC1	REAL300006166037	0	58	0.0	-70.05	418.25	9.53	-60.52
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300006166048	1	41	0.0	-74.55	332.70	7.14	-67.41
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300006166082	0	53	0.0	-68.19	398.10	10.66	-57.53
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300006166082	1	53	0.0	-66.84	398.74	10.90	-55.94
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300006166100	0	54	0.0	-72.92	415.90	10.18	-62.74
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300006166118	0	50	0.0	-67.04	378.48	9.29	-57.75
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300006166149	0	52	0.0	-59.69	387.45	8.90	-50.79
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300006166149	1	52	0.0	-56.53	386.40	8.95	-47.58
O=C([O-])[C@H]1CC[C@@H](NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300006166388	0	54	0.0	-58.50	402.30	11.19	-47.31
O=C([O-])[C@H]1CC[C@@H](NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300006166388	1	54	0.0	-62.50	404.13	11.12	-51.38
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300006166420	1	53	0.0	-61.87	387.73	10.70	-51.17
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300006166420	1	53	0.0	-61.96	389.02	10.74	-51.22
C[N@@H+]1CC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006166503	0	43	0.0	-71.44	329.19	7.19	-64.25
C[N@H+]1CC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006166503	1	43	0.0	-70.89	326.48	7.91	-62.98
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300006166935	0	49	0.0	-71.89	372.73	9.99	-61.90
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300006166941	0	50	0.0	-70.13	380.03	8.95	-61.18
O=C([O-])[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006167020	0	56	0.0	-67.57	411.53	11.53	-56.04
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2)CCO1	REAL300006167022	1	54	0.0	-73.20	398.91	9.37	-63.83
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2)CCO1	REAL300006167022	1	54	0.0	-73.91	405.65	9.41	-64.50
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300006167108	0	52	0.0	-58.36	368.31	9.61	-48.75
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300006167108	1	52	0.0	-58.36	368.31	9.61	-48.75
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300006167116	0	52	0.0	-68.13	363.41	8.82	-59.31
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300006167116	1	52	0.0	-68.13	363.41	8.82	-59.31
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)[C@H]1CC(=O)[O-]	REAL300006168516	0	60	0.0	-65.19	451.43	9.93	-55.26
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)[C@H]1CC(=O)[O-]	REAL300006168516	1	60	0.0	-65.94	457.75	10.49	-55.45
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1CC(=O)[O-]	REAL300006169298	0	57	0.0	-57.47	423.28	8.69	-48.78
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)[C@H]1CC(=O)[O-]	REAL300006169323	0	54	0.0	-62.62	411.31	8.35	-54.27
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC[N@H+]2C2CC2)[C@H]1CC(=O)[O-]	REAL300006169323	1	54	0.0	-63.10	406.53	8.20	-54.90
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])CN21	REAL300006169329	1	55	0.0	-54.84	422.18	8.59	-46.25
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169405	0	53	0.0	-65.38	386.31	7.24	-58.14
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169405	1	53	0.0	-62.83	395.87	7.43	-55.40
CC(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])N1CC[NH+](C)CC1	REAL300006169406	1	58	0.0	-63.51	427.07	5.66	-57.85
C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169445	0	53	0.0	-65.42	395.84	7.43	-57.99
C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169445	1	53	0.0	-67.06	386.48	7.24	-59.82
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006169524	0	53	0.0	-61.12	398.46	7.50	-53.62
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)[C@H]1CC(=O)[O-]	REAL300006169554	0	48	0.0	-62.85	383.99	9.33	-53.52
C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CCCCC1	REAL300006169587	0	62	0.0	-63.48	438.60	9.47	-54.01
C[N@H+](CCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CCCCC1	REAL300006169592	0	62	0.0	-58.04	452.47	9.42	-48.62
C[N@@H+](CCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CCCCC1	REAL300006169592	1	62	0.0	-57.20	452.46	9.43	-47.77
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169608	0	50	0.0	-64.71	373.66	6.37	-58.34
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169608	1	50	0.0	-64.63	379.82	6.87	-57.76
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006169658	0	53	0.0	-61.12	398.46	7.50	-53.62
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)[C@H]1CC(=O)[O-]	REAL300006169662	0	56	0.0	-68.06	443.05	8.47	-59.59
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCCC[N@@H+]2C2CCCC2)[C@H]1CC(=O)[O-]	REAL300006169680	0	63	0.0	-63.76	447.68	9.79	-53.97
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCCC[N@H+]2C2CCCC2)[C@H]1CC(=O)[O-]	REAL300006169680	1	63	0.0	-62.18	451.42	9.65	-52.53
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)[C@H]1CC(=O)[O-]	REAL300006169681	0	64	0.0	-47.93	459.27	7.96	-39.97
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169716	1	54	0.0	-58.22	424.99	8.75	-49.47
CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1CC(=O)[O-]	REAL300006169717	1	60	0.0	-66.60	452.14	7.42	-59.18
C[C@@H](C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+](C)C	REAL300006169722	0	49	0.0	-54.68	372.19	6.23	-48.45
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169723	0	50	0.0	-64.55	373.87	6.37	-58.18
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169723	1	50	0.0	-64.69	380.17	6.88	-57.81
C[C@H](C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+](C)C	REAL300006169726	0	49	0.0	-50.01	372.22	6.25	-43.76
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006169733	0	50	0.0	-65.23	382.46	7.18	-58.05
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)[C@H]1CC(=O)[O-]	REAL300006169775	0	60	0.0	-57.40	458.98	10.32	-47.08
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)[C@H]1CC(=O)[O-]	REAL300006169775	1	60	0.0	-59.01	459.56	10.32	-48.69
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CC[NH+](C3CCSC3)CC2)[C@H]1CC(=O)[O-]	REAL300006169776	0	61	0.0	-64.29	453.83	9.43	-54.86
CC(C)(C)O[C@@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H]1CC(=O)[O-]	REAL300006169798	0	64	0.0	-59.52	451.26	7.71	-51.81
CCC(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+](CC)CC	REAL300006169802	0	58	0.0	-61.11	419.81	8.12	-52.99
CC(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006169804	0	59	0.0	-49.48	448.94	9.83	-39.65
CC(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006169804	1	59	0.0	-50.04	448.78	9.79	-40.25
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=N1	REAL300006169834	0	55	0.0	-67.79	428.00	7.47	-60.32
CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169839	0	64	0.0	-60.58	472.14	9.76	-50.82
CC[N@H+](C)C(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300006169840	0	59	0.0	-45.17	446.60	9.99	-35.18
CC[N@@H+](C)C(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300006169840	1	59	0.0	-52.63	447.22	9.95	-42.68
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006169842	1	51	0.0	-58.59	391.46	6.28	-52.31
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006169842	1	51	0.0	-41.57	384.32	6.12	-35.45
CC[NH+](CC)C(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300006169844	0	62	0.0	-53.65	455.74	10.10	-43.55
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169853	1	54	0.0	-51.27	419.40	8.56	-42.71
C[NH+](C)C(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300006169858	1	56	0.0	-57.66	445.37	9.84	-47.82
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)[C@H]1CC(=O)[O-]	REAL300006169867	0	60	0.0	-70.20	456.47	10.42	-59.78
C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006169876	0	53	0.0	-65.96	400.75	7.46	-58.50
C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169884	0	55	0.0	-65.33	419.24	7.97	-57.36
CC(C)C(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+](C)C	REAL300006169892	0	55	0.0	-67.86	404.04	8.02	-59.84
CC1=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006169902	1	54	0.0	-73.77	429.60	7.72	-66.05
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)[C@H]1CC(=O)[O-]	REAL300006169920	1	56	0.0	-71.71	438.36	8.00	-63.71
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300006169921	0	59	0.0	-74.21	454.50	10.17	-64.04
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169931	1	52	0.0	-50.48	403.12	6.90	-43.58
CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169941	0	52	0.0	-52.27	393.32	7.24	-45.03
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169941	1	52	0.0	-52.90	392.88	7.23	-45.67
C[N@H+](CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CCC1	REAL300006169963	0	53	0.0	-50.13	400.21	7.81	-42.32
C[N@@H+](CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CCC1	REAL300006169963	1	53	0.0	-51.54	399.76	7.79	-43.75
CC(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+]1CCSCC1	REAL300006169986	1	54	0.0	-53.57	409.19	7.65	-45.92
C[N@H+](CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])CC(C)(C)C	REAL300006169989	0	58	0.0	-51.52	421.92	8.24	-43.28
C[N@@H+](CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])CC(C)(C)C	REAL300006169989	1	58	0.0	-51.91	423.46	8.32	-43.59
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169991	0	59	0.0	-55.76	452.97	10.25	-45.51
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169991	1	59	0.0	-55.39	453.22	10.27	-45.12
COCCOCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169992	0	63	0.0	-59.53	482.04	6.44	-53.09
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006169992	1	63	0.0	-58.70	482.06	6.46	-52.24
CC[C@@H](C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+](C)C	REAL300006169996	0	52	0.0	-53.88	384.65	6.83	-47.05
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006169998	0	57	0.0	-52.90	414.48	5.99	-46.91
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006169998	1	57	0.0	-52.05	424.36	6.18	-45.87
CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170019	0	61	0.0	-53.22	457.81	9.58	-43.64
CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170019	1	61	0.0	-53.29	457.56	9.57	-43.72
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC(=O)[O-]	REAL300006170029	0	54	0.0	-62.84	398.72	7.83	-55.01
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)[C@H]1CC(=O)[O-]	REAL300006170037	1	48	0.0	-67.02	384.32	9.34	-57.68
C[N@H+](CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CCSC1	REAL300006170048	0	54	0.0	-54.47	413.53	8.06	-46.41
C[N@@H+](CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CCSC1	REAL300006170048	1	54	0.0	-56.09	413.44	8.07	-48.02
CC(C)[NH+]1CCN(CCC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006170064	0	64	0.0	-61.48	465.10	6.76	-54.72
CC(C)N1CC[NH+](CCC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006170064	1	64	0.0	-57.08	469.29	7.03	-50.05
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006170065	0	67	0.0	-65.44	486.77	7.58	-57.86
CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006170065	1	67	0.0	-61.08	487.22	7.60	-53.48
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCCC3CCC[N@@H+]32)[C@H]1CC(=O)[O-]	REAL300006170066	0	57	0.0	-60.40	418.58	8.67	-51.73
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCCC3CCC[N@H+]32)[C@H]1CC(=O)[O-]	REAL300006170066	1	57	0.0	-61.10	417.89	8.66	-52.44
C[NH+](C)CCN1C=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=N1	REAL300006170068	0	56	0.0	-72.30	438.14	7.32	-64.98
CC(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006170082	1	60	0.0	-53.18	452.55	10.19	-42.99
CC(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006170082	1	60	0.0	-52.14	449.12	10.39	-41.75
CCCC(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+](C)C	REAL300006170101	0	55	0.0	-65.66	408.02	7.75	-57.91
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=N1	REAL300006170116	0	56	0.0	-73.60	438.53	7.34	-66.26
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170117	0	56	0.0	-56.58	433.69	7.29	-49.29
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC[N@@H+]1C	REAL300006170120	0	53	0.0	-73.12	390.60	6.81	-66.31
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC[N@H+]1C	REAL300006170120	1	53	0.0	-70.85	396.13	7.33	-63.52
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170122	1	57	0.0	-54.49	439.60	9.03	-45.46
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC[N@@H+]1C	REAL300006170125	0	56	0.0	-71.41	411.09	7.50	-63.91
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC[N@H+]1C	REAL300006170125	1	56	0.0	-70.89	416.16	7.81	-63.08
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170128	1	52	0.0	-65.18	400.48	7.59	-57.59
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170128	1	52	0.0	-64.77	406.17	8.10	-56.67
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])O1	REAL300006170134	1	54	0.0	-67.82	412.55	7.01	-60.81
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])O1	REAL300006170134	1	54	0.0	-58.94	412.48	7.01	-51.93
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)[C@H]1CC(=O)[O-]	REAL300006170140	1	59	0.0	-61.99	454.60	8.88	-53.11
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)[C@H]1CC(=O)[O-]	REAL300006170140	1	59	0.0	-63.53	447.25	8.12	-55.41
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC(=O)[O-]	REAL300006170142	0	50	0.0	-52.41	378.04	6.94	-45.47
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170144	1	48	0.0	-50.93	383.22	7.43	-43.50
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170146	0	57	0.0	-56.06	424.68	6.69	-49.37
CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006170165	0	56	0.0	-52.20	416.45	8.31	-43.89
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006170176	1	54	0.0	-55.72	409.03	6.92	-48.80
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006170176	1	54	0.0	-64.49	408.97	6.92	-57.57
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC(=O)[O-]	REAL300006170212	0	63	0.0	-55.03	458.71	9.70	-45.33
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CC[N@H+](C3CCCCC3)C2)[C@H]1CC(=O)[O-]	REAL300006170212	1	63	0.0	-57.41	459.17	9.70	-47.71
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170218	0	56	0.0	-59.92	415.76	7.86	-52.06
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170218	1	56	0.0	-57.35	417.37	8.18	-49.17
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC(=O)[O-]	REAL300006170230	0	57	0.0	-71.28	411.29	8.02	-63.26
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170232	0	54	0.0	-66.40	398.36	3.81	-62.59
C[N@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170232	1	54	0.0	-65.64	400.05	3.99	-61.65
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC3CCCC[N@@H+]32)[C@H]1CC(=O)[O-]	REAL300006170233	0	57	0.0	-64.38	414.81	8.30	-56.08
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC3CCCC[N@H+]32)[C@H]1CC(=O)[O-]	REAL300006170233	1	57	0.0	-62.67	414.69	8.31	-54.36
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1CC(=O)[O-]	REAL300006170240	0	60	0.0	-69.63	437.65	7.06	-62.57
CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170255	0	52	0.0	-50.33	390.15	7.19	-43.14
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006170257	0	59	0.0	-62.09	429.28	8.45	-53.64
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC(=O)[O-]	REAL300006170337	0	51	0.0	-71.09	385.18	6.33	-64.76
CCC(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+](C)C	REAL300006170340	0	52	0.0	-56.18	387.62	6.99	-49.19
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C23CC[N@H+](C2)CCC3)[C@H]1CC(=O)[O-]	REAL300006170348	0	54	0.0	-71.26	394.78	7.13	-64.13
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)[C@H]1CC(=O)[O-]	REAL300006170348	1	54	0.0	-71.22	395.28	7.04	-64.18
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170392	0	56	0.0	-51.78	401.29	7.44	-44.34
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300006170393	0	56	0.0	-70.17	432.20	9.31	-60.86
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CCC1	REAL300006170429	0	53	0.0	-64.49	388.23	6.99	-57.50
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006170455	0	55	0.0	-63.33	423.63	8.70	-54.63
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170457	0	59	0.0	-64.24	425.50	8.65	-55.59
CCC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170457	1	59	0.0	-62.12	435.17	8.82	-53.30
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170458	0	56	0.0	-55.66	424.45	9.61	-46.05
CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006170460	0	61	0.0	-62.51	451.27	6.34	-56.17
CCN1CC[NH+](CCC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006170460	1	61	0.0	-57.74	452.66	6.49	-51.25
CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170461	0	52	0.0	-49.95	388.25	7.02	-42.93
CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170461	1	52	0.0	-51.44	388.30	7.03	-44.41
CC(C)C(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+]1CCCCC1	REAL300006170462	0	62	0.0	-65.22	443.12	9.92	-55.30
C[NH+](C)C(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300006170463	1	56	0.0	-54.50	428.48	9.31	-45.19
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170471	1	57	0.0	-54.05	439.32	8.99	-45.06
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC[N@@H+]2C2CCCC2)[C@H]1CC(=O)[O-]	REAL300006170478	0	60	0.0	-63.27	438.49	9.32	-53.95
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2CCC[N@H+]2C2CCCC2)[C@H]1CC(=O)[O-]	REAL300006170478	1	60	0.0	-65.18	432.16	9.22	-55.96
CC[N@H+](CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CC1	REAL300006170480	0	53	0.0	-49.13	402.84	7.87	-41.26
CC[N@@H+](CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CC1	REAL300006170480	1	53	0.0	-50.76	399.70	7.83	-42.93
CC(C)C(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300006170505	1	66	0.0	-62.78	478.95	8.83	-53.95
CC(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+]1CCCCCC1	REAL300006170506	0	59	0.0	-49.11	424.05	8.24	-40.87
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170509	0	50	0.0	-64.49	379.52	6.79	-57.70
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170509	1	50	0.0	-67.82	374.08	6.37	-61.45
CC(C)(C)[NH2+]CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170588	0	52	0.0	-51.44	393.00	5.56	-45.88
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])O1	REAL300006170590	0	59	0.0	-64.52	449.67	8.72	-55.80
CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1CC(=O)[O-]	REAL300006170591	0	59	0.0	-63.49	444.36	9.08	-54.41
C[N@H+](CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300006170593	1	56	0.0	-54.54	430.75	9.42	-45.12
C[N@@H+](CC(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300006170593	1	56	0.0	-55.11	430.44	9.41	-45.70
CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])[NH+](C)C	REAL300006170603	0	55	0.0	-67.91	402.96	8.04	-59.87
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)[C@H]1CC(=O)[O-]	REAL300006170621	1	51	0.0	-72.24	412.95	7.26	-64.98
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=NO1	REAL300006170645	1	52	0.0	-73.06	412.13	6.80	-66.26
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170659	0	56	0.0	-63.03	406.42	8.08	-54.95
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170659	1	56	0.0	-65.35	404.83	7.96	-57.39
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006170680	0	57	0.0	-69.50	434.04	7.92	-61.58
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)[C@H]1CC(=O)[O-]	REAL300006170684	0	60	0.0	-64.97	458.90	9.41	-55.56
CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006170854	0	59	0.0	-56.80	437.55	8.85	-47.95
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006170854	1	59	0.0	-53.43	431.55	9.06	-44.37
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170882	0	59	0.0	-64.05	438.46	9.00	-55.05
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300006170882	1	59	0.0	-65.63	432.93	8.48	-57.15
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(CO)CC2)[C@H]1CC(=O)[O-]	REAL300006170883	1	57	0.0	-54.36	427.30	5.00	-49.36
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171090	0	59	0.0	-55.72	432.92	8.64	-47.08
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171090	1	59	0.0	-52.88	426.71	8.83	-44.05
C[N@@H+]1CC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300006171091	0	53	0.0	-72.46	417.96	7.58	-64.88
C[N@H+]1CC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300006171091	1	53	0.0	-78.98	417.85	7.61	-71.37
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])N1	REAL300006171114	1	54	0.0	-53.87	424.12	7.12	-46.75
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300006171563	0	59	0.0	-73.18	454.69	10.16	-63.02
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300006171569	0	60	0.0	-71.35	461.76	9.12	-62.23
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171701	0	53	0.0	-64.38	403.42	7.56	-56.82
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300006171705	0	59	0.0	-64.67	426.34	8.51	-56.16
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])=CN21	REAL300006171709	0	51	0.0	-58.88	405.55	9.11	-49.77
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171770	0	62	0.0	-51.51	449.00	9.73	-41.78
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171770	1	62	0.0	-53.61	448.96	9.74	-43.87
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171771	0	56	0.0	-56.95	416.05	8.11	-48.84
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171771	1	56	0.0	-58.94	416.27	8.12	-50.82
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171776	0	53	0.0	-51.39	392.41	7.67	-43.72
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171776	1	53	0.0	-61.23	398.42	7.44	-53.79
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])O1	REAL300006171778	1	53	0.0	-65.58	417.31	7.54	-58.04
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171784	0	62	0.0	-73.83	443.86	8.95	-64.88
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300006171784	1	62	0.0	-73.46	443.63	8.93	-64.53
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C23CC(C2)C[N@H+]3C2CC2)[C@H]1CC(=O)[O-]	REAL300006171787	1	55	0.0	-63.82	411.07	9.13	-54.69
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(CC1=CC=CC=C1)C1CCCO1	REAL300006171853	1	60	0.0	-44.46	433.94	12.55	-31.91
CCCN(CC1=CC=C(F)C=C1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006171963	0	52	0.0	-49.46	396.57	12.37	-37.09
CCCN(CC1=CC=C(F)C=C1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006171963	1	52	0.0	-48.97	390.59	12.39	-36.58
CCC(C)N(CCC1=CC=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006172083	0	55	0.0	-43.13	403.84	12.65	-30.48
CCC(C)N(CCC1=CC=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006172083	1	55	0.0	-44.18	406.94	12.33	-31.85
CCC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006172301	0	50	0.0	-48.72	395.25	12.17	-36.55
CCC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006172301	1	50	0.0	-50.11	401.44	12.16	-37.95
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCN(C3=NC4=CC=CC=C4N3)C2)C1	REAL300006172401	0	55	0.0	-55.97	420.84	8.37	-47.60
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCN(C3=NC4=CC=CC=C4N3)C2)C1	REAL300006172401	1	55	0.0	-55.19	419.75	8.35	-46.84
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C3=NNC(C(F)(F)F)=C3)C=C2)C1	REAL300006172509	0	47	0.0	-54.60	390.76	8.27	-46.33
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C3=NNC(C(F)(F)F)=C3)C=C2)C1	REAL300006172509	1	47	0.0	-52.85	390.89	8.26	-44.59
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C3=CC(C(F)(F)F)=NN3)C=C2)C1	REAL300006172509	1	47	0.0	-52.41	381.49	7.78	-44.63
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C3=CC(C(F)(F)F)=NN3)C=C2)C1	REAL300006172509	1	47	0.0	-54.51	383.25	8.28	-46.23
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@@]3(CO)CCC[C@@]3(CO)C2)C1	REAL300006172688	0	52	0.0	-49.60	371.23	3.13	-46.47
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@@]3(CO)CCC[C@@]3(CO)C2)C1	REAL300006172688	1	52	0.0	-48.34	377.88	3.15	-45.19
COC1=CC=C([C@H](C)NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300006173738	0	57	0.0	-92.04	441.03	11.74	-80.30
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006174300	0	54	0.0	-82.18	425.22	11.19	-70.99
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006174300	1	54	0.0	-82.68	423.75	11.14	-71.54
COC1=CC=C([C@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)C=C1C(=O)[O-]	REAL300006175140	0	51	0.0	-85.50	389.39	9.37	-76.13
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+]2C2CC2)C=C1C(=O)[O-]	REAL300006175165	0	48	0.0	-86.66	370.70	8.52	-78.14
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+]2C2CC2)C=C1C(=O)[O-]	REAL300006175165	1	48	0.0	-79.62	370.38	8.38	-71.24
COC1=CC=C([C@H](C)NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C=C1C(=O)[O-]	REAL300006175171	1	49	0.0	-79.06	387.63	9.25	-69.81
COC1=CC=C([C@H](C)NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006175172	0	57	0.0	-92.19	433.18	11.26	-80.93
COC1=CC=C([C@H](C)NC(=O)C2CCCC[N@@H+]2C)C=C1C(=O)[O-]	REAL300006175252	0	47	0.0	-82.37	352.62	7.93	-74.44
COC1=CC=C([C@H](C)NC(=O)C2CCCC[N@H+]2C)C=C1C(=O)[O-]	REAL300006175252	1	47	0.0	-80.26	352.62	7.93	-72.33
COC1=CC=C([C@H](C)NC(=O)C(C)N2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300006175253	1	52	0.0	-83.93	393.24	6.35	-77.58
COC1=CC=C([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C=C1C(=O)[O-]	REAL300006175293	0	47	0.0	-82.38	352.67	7.93	-74.45
COC1=CC=C([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C=C1C(=O)[O-]	REAL300006175293	1	47	0.0	-81.32	361.95	8.11	-73.21
COC1=CC=C([C@H](C)NC(=O)C2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300006175380	0	47	0.0	-88.25	364.54	8.17	-80.08
COC1=CC=C([C@H](C)NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1C(=O)[O-]	REAL300006175410	0	42	0.0	-85.37	350.14	10.01	-75.36
COC1=CC=C([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C=C1C(=O)[O-]	REAL300006175444	0	56	0.0	-78.95	404.62	10.15	-68.80
COC1=CC=C([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C=C1C(=O)[O-]	REAL300006175449	0	56	0.0	-86.30	418.39	10.10	-76.20
COC1=CC=C([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C=C1C(=O)[O-]	REAL300006175449	1	56	0.0	-86.73	418.39	10.10	-76.63
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+]2C)C=C1C(=O)[O-]	REAL300006175466	0	44	0.0	-84.63	339.98	7.06	-77.57
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+]2C)C=C1C(=O)[O-]	REAL300006175466	1	44	0.0	-80.19	340.03	7.07	-73.12
COC1=CC=C([C@H](C)NC(=O)C2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300006175522	0	47	0.0	-88.25	364.54	8.17	-80.08
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1C(=O)[O-]	REAL300006175526	0	50	0.0	-90.97	409.21	9.15	-81.82
COC1=CC=C([C@H](C)NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300006175546	0	57	0.0	-76.92	416.92	10.28	-66.64
COC1=CC=C([C@H](C)NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300006175546	1	57	0.0	-78.32	412.63	10.44	-67.88
COC1=CC=C([C@H](C)NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1C(=O)[O-]	REAL300006175547	0	58	0.0	-75.22	425.17	8.64	-66.58
COC1=CC=C([C@H](C)NC(=O)CCCN2C=C[NH+]=C2C)C=C1C(=O)[O-]	REAL300006175583	1	48	0.0	-81.79	390.94	9.41	-72.38
COC1=CC=C([C@H](C)NC(=O)CCCC[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300006175584	1	54	0.0	-89.02	418.24	8.10	-80.92
CC[N@H+](CC1=CC=C(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300006175587	0	59	0.0	-89.36	446.69	11.62	-77.74
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300006175587	1	59	0.0	-90.91	438.30	11.37	-79.54
COC1=CC=C([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C=C1C(=O)[O-]	REAL300006175590	0	44	0.0	-79.22	345.67	7.48	-71.74
COC1=CC=C([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C=C1C(=O)[O-]	REAL300006175590	1	44	0.0	-80.15	339.98	7.06	-73.09
COC1=CC=C([C@H](C)NC(=O)C2([NH+](C)C)CC2)C=C1C(=O)[O-]	REAL300006175599	0	44	0.0	-83.16	346.81	7.17	-75.99
COC1=CC=C([C@H](C)NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300006175645	0	54	0.0	-86.89	424.84	11.00	-75.89
COC1=CC=C([C@H](C)NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300006175645	1	54	0.0	-87.10	423.55	10.90	-76.20
COC1=CC=C([C@H](C)NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1C(=O)[O-]	REAL300006175646	0	55	0.0	-93.91	423.78	10.39	-83.52
COC1=CC=C([C@H](C)NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1C(=O)[O-]	REAL300006175670	0	58	0.0	-85.80	416.72	8.35	-77.45
CCC(C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1)[NH+](CC)CC	REAL300006175674	0	52	0.0	-75.87	386.11	8.81	-67.06
COC1=CC=C([C@H](C)NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006175676	0	53	0.0	-82.64	415.11	10.50	-72.14
COC1=CC=C([C@H](C)NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006175676	1	53	0.0	-85.08	414.87	10.52	-74.56
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C=C1C(=O)[O-]	REAL300006175709	0	49	0.0	-89.50	393.93	8.13	-81.37
CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006175715	0	58	0.0	-85.78	438.06	10.43	-75.35
CC[N@H+](C)C(C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300006175716	0	53	0.0	-76.67	412.46	10.66	-66.01
CC[N@@H+](C)C(C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300006175716	1	53	0.0	-81.44	413.44	10.63	-70.81
COC1=CC=C([C@H](C)NC(=O)C2C[N@H+](C)CCO2)C=C1C(=O)[O-]	REAL300006175718	1	45	0.0	-91.67	350.24	6.81	-84.86
COC1=CC=C([C@H](C)NC(=O)C2C[N@@H+](C)CCO2)C=C1C(=O)[O-]	REAL300006175718	1	45	0.0	-98.18	357.35	6.97	-91.21
CC[NH+](CC)C(C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300006175720	0	56	0.0	-84.14	415.81	10.55	-73.59
COC1=CC=C([C@H](C)NC(=O)CN2C=C[NH+]=C2C(C)C)C=C1C(=O)[O-]	REAL300006175729	1	48	0.0	-78.47	385.64	9.25	-69.22
COC1=CC=C([C@H](C)NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C=C1C(=O)[O-]	REAL300006175734	1	50	0.0	-82.19	411.46	10.52	-71.67
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300006175747	0	54	0.0	-93.32	422.97	11.16	-82.16
COC1=CC=C([C@H](C)NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1C(=O)[O-]	REAL300006175754	0	57	0.0	-86.38	439.72	11.86	-74.52
COC1=CC=C([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C=C1C(=O)[O-]	REAL300006175758	0	47	0.0	-78.61	371.77	8.29	-70.32
COC1=CC=C([C@H](C)NC(=O)CCCC[NH+](C)C)C=C1C(=O)[O-]	REAL300006175767	0	49	0.0	-87.24	385.34	8.64	-78.60
COC1=CC=C([C@H](C)NC(=O)C(C(C)C)[NH+](C)C)C=C1C(=O)[O-]	REAL300006175776	0	49	0.0	-79.24	369.61	8.58	-70.66
COC1=CC=C([C@H](C)NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006175789	0	57	0.0	-82.36	429.22	11.50	-70.86
COC1=CC=C([C@H](C)NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006175789	1	57	0.0	-79.80	429.17	11.50	-68.30
COC1=CC=C([C@H](C)NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C=C1C(=O)[O-]	REAL300006175791	1	48	0.0	-91.81	395.74	8.40	-83.41
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300006175799	0	57	0.0	-92.56	439.71	11.87	-80.69
COC1=CC=C([C@H](C)NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1C(=O)[O-]	REAL300006175812	1	50	0.0	-88.39	403.36	8.61	-79.78
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300006175813	0	53	0.0	-94.13	420.62	10.86	-83.27
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006175824	1	46	0.0	-77.48	369.27	7.59	-69.89
COC1=CC=C([C@H](C)NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300006175826	1	55	0.0	-95.49	426.93	10.37	-85.12
COC1=CC=C([C@H](C)NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300006175826	1	55	0.0	-99.19	434.12	10.54	-88.65
CCC[N@H+](C)CC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006175835	0	46	0.0	-83.53	359.21	7.92	-75.61
CCC[N@@H+](C)CC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006175835	1	46	0.0	-83.70	359.21	7.93	-75.77
COC1=CC=C([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C=C1C(=O)[O-]	REAL300006175857	0	47	0.0	-81.77	366.10	8.49	-73.28
COC1=CC=C([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C=C1C(=O)[O-]	REAL300006175857	1	47	0.0	-80.93	366.20	8.49	-72.44
COC1=CC=C([C@H](C)NC(=O)C(C)[NH+]2CCSCC2)C=C1C(=O)[O-]	REAL300006175881	1	48	0.0	-83.47	374.23	8.39	-75.08
COC1=CC=C([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C=C1C(=O)[O-]	REAL300006175886	0	52	0.0	-83.48	390.11	9.07	-74.41
COC1=CC=C([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C=C1C(=O)[O-]	REAL300006175886	1	52	0.0	-83.31	387.81	8.92	-74.39
COC1=CC=C([C@H](C)NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006175888	0	53	0.0	-87.36	419.11	10.95	-76.41
COC1=CC=C([C@H](C)NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006175888	1	53	0.0	-87.19	419.11	10.95	-76.24
COCCOCC[N@H+](C)CCC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006175889	0	57	0.0	-86.34	448.11	7.13	-79.21
COCCOCC[N@@H+](C)CCC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006175889	1	57	0.0	-86.64	448.16	7.12	-79.52
CC[C@@H](C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1)[NH+](C)C	REAL300006175893	0	46	0.0	-81.05	350.63	7.51	-73.54
COC1=CC=C([C@H](C)NC(=O)CC2(O)CCC[N@H+](C)C2)C=C1C(=O)[O-]	REAL300006175895	0	51	0.0	-83.98	377.73	6.76	-77.22
COC1=CC=C([C@H](C)NC(=O)CC2(O)CCC[N@@H+](C)C2)C=C1C(=O)[O-]	REAL300006175895	1	51	0.0	-77.46	380.58	6.66	-70.80
COC1=CC=C([C@H](C)NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C=C1C(=O)[O-]	REAL300006175916	1	56	0.0	-83.36	433.66	9.92	-73.44
COC1=CC=C([C@H](C)NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C=C1C(=O)[O-]	REAL300006175916	1	56	0.0	-87.28	433.60	9.91	-77.37
COC1=CC=C([C@H](C)NC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300006175917	1	56	0.0	-84.51	424.17	9.74	-74.77
COC1=CC=C([C@H](C)NC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300006175917	1	56	0.0	-87.98	433.54	9.89	-78.09
CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006175919	0	55	0.0	-84.67	423.70	10.26	-74.41
CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006175919	1	55	0.0	-84.85	423.71	10.27	-74.58
COC1=CC=C([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C=C1C(=O)[O-]	REAL300006175929	0	48	0.0	-83.75	364.63	8.50	-75.25
COC1=CC=C([C@H](C)NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1C(=O)[O-]	REAL300006175937	1	42	0.0	-90.84	350.42	10.03	-80.81
COC1=CC=C([C@H](C)NC(=O)C[N@H+](C)C2CCSC2)C=C1C(=O)[O-]	REAL300006175950	0	48	0.0	-88.66	379.25	8.76	-79.90
COC1=CC=C([C@H](C)NC(=O)C[N@@H+](C)C2CCSC2)C=C1C(=O)[O-]	REAL300006175950	1	48	0.0	-87.65	379.47	8.74	-78.91
COC1=CC=C([C@H](C)NC(=O)CCN2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300006175967	0	58	0.0	-83.89	435.33	7.68	-76.21
COC1=CC=C([C@H](C)NC(=O)CC[NH+]2CCN(C(C)C)CC2)C=C1C(=O)[O-]	REAL300006175967	1	58	0.0	-86.41	431.85	7.48	-78.93
COC1=CC=C([C@H](C)NC(=O)CCCN2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300006175968	0	61	0.0	-83.28	456.83	8.48	-74.80
COC1=CC=C([C@H](C)NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C=C1C(=O)[O-]	REAL300006175968	1	61	0.0	-86.14	453.67	8.32	-77.82
COC1=CC=C([C@H](C)NC(=O)C2CCCC3CCC[N@@H+]32)C=C1C(=O)[O-]	REAL300006175969	0	51	0.0	-75.80	384.53	9.36	-66.44
COC1=CC=C([C@H](C)NC(=O)C2CCCC3CCC[N@H+]32)C=C1C(=O)[O-]	REAL300006175969	1	51	0.0	-76.79	384.38	9.36	-67.43
COC1=CC=C([C@H](C)NC(=O)C2=CN(CC[NH+](C)C)N=C2)C=C1C(=O)[O-]	REAL300006175971	0	50	0.0	-91.83	404.29	8.00	-83.83
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C1C(=O)[O-]	REAL300006175982	0	56	0.0	-88.63	436.04	9.84	-78.79
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C1C(=O)[O-]	REAL300006175982	1	56	0.0	-87.54	435.94	9.84	-77.70
COC1=CC=C([C@H](C)NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300006175987	1	54	0.0	-84.77	418.44	10.88	-73.89
COC1=CC=C([C@H](C)NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300006175987	1	54	0.0	-82.41	415.44	11.02	-71.39
CCC(CC)C(C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1)[NH+]1CCOCC1	REAL300006176005	1	60	0.0	-75.35	431.55	9.21	-66.14
CCCC(C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1)[NH+](C)C	REAL300006176006	0	49	0.0	-79.56	372.00	8.27	-71.29
COC1=CC=C([C@H](C)NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300006176007	0	57	0.0	-89.71	445.01	11.74	-77.97
COC1=CC=C([C@H](C)NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300006176007	1	57	0.0	-90.17	444.79	11.74	-78.43
COC1=CC=C([C@H](C)NC(=O)C2=NN(CC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300006176022	0	50	0.0	-96.42	404.66	8.02	-88.40
COC1=CC=C([C@H](C)NC(=O)C2=CC=NN2CC[NH+](C)C)C=C1C(=O)[O-]	REAL300006176023	0	50	0.0	-75.21	399.87	7.98	-67.23
COC1=CC=C([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C=C1C(=O)[O-]	REAL300006176026	0	47	0.0	-89.86	356.60	7.49	-82.37
COC1=CC=C([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C=C1C(=O)[O-]	REAL300006176026	1	47	0.0	-86.78	362.07	7.99	-78.79
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006176028	1	51	0.0	-79.09	405.93	9.72	-69.37
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300006176031	0	50	0.0	-86.97	376.94	8.18	-78.79
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)CC[N@H+]1C	REAL300006176031	1	50	0.0	-86.51	382.18	8.52	-77.99
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006176034	1	46	0.0	-82.24	366.59	8.28	-73.96
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006176034	1	46	0.0	-81.32	372.38	8.79	-72.53
COC1=CC=C([C@H](C)NC(=O)C2C[N@H+](C)CC(C)O2)C=C1C(=O)[O-]	REAL300006176040	1	48	0.0	-92.56	371.88	7.67	-84.89
COC1=CC=C([C@H](C)NC(=O)C2C[N@@H+](C)CC(C)O2)C=C1C(=O)[O-]	REAL300006176040	1	48	0.0	-97.66	371.83	7.67	-89.99
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300006176047	1	53	0.0	-77.75	420.87	9.58	-68.17
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300006176047	1	53	0.0	-78.59	413.46	8.81	-69.78
COC1=CC=C([C@H](C)NC(=O)C[NH+]2CCCC2)C=C1C(=O)[O-]	REAL300006176050	0	44	0.0	-82.86	345.49	7.65	-75.21
COC1=CC=C([C@H](C)NC(=O)CN2C=C[NH+]=C2C)C=C1C(=O)[O-]	REAL300006176052	1	42	0.0	-79.29	349.41	8.13	-71.16
COC1=CC=C([C@H](C)NC(=O)C(C)C[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300006176054	0	51	0.0	-85.94	391.28	7.24	-78.70
COC1=CC=C([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C=C1C(=O)[O-]	REAL300006176073	0	50	0.0	-84.29	382.93	9.00	-75.29
CC[N@@H+]1CCOC(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300006176084	1	48	0.0	-91.67	375.17	7.60	-84.07
CC[N@H+]1CCOC(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300006176084	1	48	0.0	-96.34	375.19	7.60	-88.74
COC1=CC=C([C@H](C)NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1C(=O)[O-]	REAL300006176121	0	57	0.0	-85.88	426.63	10.41	-75.47
COC1=CC=C([C@H](C)NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1C(=O)[O-]	REAL300006176121	1	57	0.0	-85.52	424.62	10.39	-75.13
COC1=CC=C([C@H](C)NC(=O)CCC2CCC[N@@H+]2C)C=C1C(=O)[O-]	REAL300006176127	0	50	0.0	-84.24	381.93	8.53	-75.71
COC1=CC=C([C@H](C)NC(=O)CCC2CCC[N@H+]2C)C=C1C(=O)[O-]	REAL300006176127	1	50	0.0	-88.99	387.37	9.00	-79.99
COC1=CC=C([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C=C1C(=O)[O-]	REAL300006176140	0	51	0.0	-84.60	377.37	8.72	-75.88
COC1=CC=C([C@H](C)NC(=O)C2(C)CC(O)C[N@@H+]2C)C=C1C(=O)[O-]	REAL300006176142	0	48	0.0	-87.71	366.43	4.69	-83.02
COC1=CC=C([C@H](C)NC(=O)C2(C)CC(O)C[N@H+]2C)C=C1C(=O)[O-]	REAL300006176142	1	48	0.0	-92.84	364.66	5.13	-87.71
COC1=CC=C([C@H](C)NC(=O)C2CCC3CCCC[N@@H+]32)C=C1C(=O)[O-]	REAL300006176143	0	51	0.0	-81.39	381.67	9.01	-72.38
COC1=CC=C([C@H](C)NC(=O)C2CCC3CCCC[N@H+]32)C=C1C(=O)[O-]	REAL300006176143	1	51	0.0	-78.43	380.69	8.99	-69.44
COC1=CC=C([C@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300006176150	0	54	0.0	-78.59	400.81	7.60	-70.99
CC[NH+](CC)CC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006176166	0	46	0.0	-81.26	356.08	7.87	-73.39
COC1=CC=C([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300006176168	0	53	0.0	-85.90	398.85	9.35	-76.55
COC1=CC=C([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C=C1C(=O)[O-]	REAL300006176249	0	45	0.0	-87.17	351.54	7.05	-80.12
CCC(C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1)[NH+](C)C	REAL300006176252	0	46	0.0	-81.06	350.63	7.51	-73.55
COC1=CC=C([C@H](C)NC(=O)C23CC[N@H+](C2)CCC3)C=C1C(=O)[O-]	REAL300006176260	0	48	0.0	-92.91	361.91	7.74	-85.17
COC1=CC=C([C@H](C)NC(=O)C23CC[N@@H+](C2)CCC3)C=C1C(=O)[O-]	REAL300006176260	1	48	0.0	-86.19	361.69	7.73	-78.46
COC1=CC=C([C@H](C)NC(=O)C[NH+]2C(C)CCC2C)C=C1C(=O)[O-]	REAL300006176305	0	50	0.0	-79.92	377.11	8.51	-71.41
COC1=CC=C([C@H](C)NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300006176306	0	50	0.0	-86.39	398.14	10.01	-76.38
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300006176307	0	57	0.0	-84.65	441.12	11.69	-72.96
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300006176307	1	57	0.0	-84.16	441.05	11.68	-72.48
COC1=CC=C([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C=C1C(=O)[O-]	REAL300006176345	0	47	0.0	-78.89	354.16	8.00	-70.89
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)CC1	REAL300006176374	0	49	0.0	-89.36	389.21	9.32	-80.04
CCC[N@@H+]1CCCCC1C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006176376	0	53	0.0	-80.58	401.27	9.49	-71.09
CCC[N@H+]1CCCCC1C(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300006176376	1	53	0.0	-81.28	391.79	9.34	-71.94
COC1=CC=C([C@H](C)NC(=O)C2=CC=CC=C2C[NH+](C)C)C=C1C(=O)[O-]	REAL300006176377	0	50	0.0	-73.96	391.04	10.28	-63.68
CC[NH+]1CCN(CCC(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)CC1	REAL300006176379	0	55	0.0	-87.60	417.42	7.02	-80.58
CCN1CC[NH+](CCC(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)CC1	REAL300006176379	1	55	0.0	-86.54	418.61	7.16	-79.38
COC1=CC=C([C@H](C)NC(=O)C[N@H+](C)C(C)C)C=C1C(=O)[O-]	REAL300006176380	0	46	0.0	-81.32	354.40	7.71	-73.61
COC1=CC=C([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C=C1C(=O)[O-]	REAL300006176380	1	46	0.0	-80.68	354.42	7.71	-72.97
COC1=CC=C([C@H](C)NC(=O)C(C(C)C)[NH+]2CCCCC2)C=C1C(=O)[O-]	REAL300006176381	0	56	0.0	-81.37	410.04	10.58	-70.79
COC1=CC=C([C@H](C)NC(=O)C(C2=CC=CC=C2)[NH+](C)C)C=C1C(=O)[O-]	REAL300006176382	1	50	0.0	-82.85	394.63	10.00	-72.85
COC1=CC=C([C@H](C)NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300006176386	0	55	0.0	-85.01	432.97	7.93	-77.08
COC1=CC=C([C@H](C)NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300006176386	1	55	0.0	-83.69	433.30	7.97	-75.72
COC1=CC=C([C@H](C)NC(=O)CCN2C=C[NH+]=C2C(C)C)C=C1C(=O)[O-]	REAL300006176391	1	51	0.0	-78.93	405.38	9.65	-69.28
COC1=CC=C([C@H](C)NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300006176393	0	53	0.0	-74.07	425.32	10.35	-63.72
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300006176399	0	54	0.0	-79.88	402.85	10.03	-69.85
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300006176399	1	54	0.0	-79.27	406.56	10.05	-69.22
CC[N@H+](CC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1)C1CC1	REAL300006176401	0	47	0.0	-79.49	368.60	8.54	-70.95
CC[N@@H+](CC(=O)N[C@@H](C)C1=CC=C(OC)C(C(=O)[O-])=C1)C1CC1	REAL300006176401	1	47	0.0	-80.53	366.34	8.49	-72.04
COC1=CC=C([C@H](C)NC(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)C=C1C(=O)[O-]	REAL300006176428	1	60	0.0	-77.96	444.97	9.51	-68.45
COC1=CC=C([C@H](C)NC(=O)C(C)[NH+]2CCCCCC2)C=C1C(=O)[O-]	REAL300006176429	0	53	0.0	-79.79	389.00	8.97	-70.82
COC1=CC=C([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C=C1C(=O)[O-]	REAL300006176433	0	44	0.0	-84.59	340.00	7.06	-77.53
COC1=CC=C([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C=C1C(=O)[O-]	REAL300006176433	1	44	0.0	-80.25	345.92	7.56	-72.69
COC1=CC=C([C@H](C)NC(=O)C[NH2+]C(C)(C)C)C=C1C(=O)[O-]	REAL300006176516	0	46	0.0	-82.42	358.93	6.21	-76.21
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)O1	REAL300006176518	0	53	0.0	-88.97	415.81	9.42	-79.55
COC1=CC=C([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C=C1C(=O)[O-]	REAL300006176519	0	53	0.0	-85.72	411.31	9.82	-75.90
COC1=CC=C([C@H](C)NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C=C1C(=O)[O-]	REAL300006176521	1	56	0.0	-84.23	434.03	9.59	-74.64
COC1=CC=C([C@H](C)NC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006176522	1	50	0.0	-88.19	396.69	10.10	-78.09
COC1=CC=C([C@H](C)NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006176522	1	50	0.0	-87.91	396.63	10.10	-77.81
COC1=CC=C([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C=C1C(=O)[O-]	REAL300006176533	0	49	0.0	-83.95	370.47	8.61	-75.34
COC1=CC=C([C@H](C)NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C=C1C(=O)[O-]	REAL300006176551	1	45	0.0	-91.33	379.28	7.95	-83.38
COC1=CC=C([C@H](C)NC(=O)C2=NOC(C[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300006176579	1	46	0.0	-89.66	378.05	7.49	-82.17
COC1=CC=C([C@H](C)NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300006176583	0	57	0.0	-87.63	441.13	11.50	-76.13
COC1=CC=C([C@H](C)NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300006176583	1	57	0.0	-93.86	444.69	11.49	-82.37
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+]2C(C)C)C=C1C(=O)[O-]	REAL300006176596	0	50	0.0	-77.89	378.34	8.55	-69.34
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+]2C(C)C)C=C1C(=O)[O-]	REAL300006176596	1	50	0.0	-79.05	378.94	8.61	-70.44
COC1=CC=C([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300006176619	0	51	0.0	-90.95	399.93	8.60	-82.35
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1C(=O)[O-]	REAL300006176623	0	54	0.0	-89.89	425.06	10.10	-79.79
CCC[N@@H+]1CCCC(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300006176809	0	53	0.0	-76.12	397.49	9.73	-66.39
CCC[N@H+]1CCCC(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300006176809	1	53	0.0	-78.11	397.45	9.73	-68.38
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+]2CC(C)C)C=C1C(=O)[O-]	REAL300006176840	0	53	0.0	-82.57	398.95	9.18	-73.39
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+]2CC(C)C)C=C1C(=O)[O-]	REAL300006176840	1	53	0.0	-79.70	398.93	9.16	-70.54
COC1=CC=C([C@H](C)NC(=O)C[NH+]2CCC(CO)CC2)C=C1C(=O)[O-]	REAL300006176841	0	51	0.0	-84.75	393.80	5.69	-79.06
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+](C(C)C)C2)C=C1C(=O)[O-]	REAL300006177066	0	53	0.0	-81.81	398.90	9.30	-72.51
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+](C(C)C)C2)C=C1C(=O)[O-]	REAL300006177066	1	53	0.0	-82.29	398.88	9.30	-72.99
COC1=CC=C([C@H](C)NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C=C1C(=O)[O-]	REAL300006177067	0	47	0.0	-85.27	377.39	8.00	-77.27
COC1=CC=C([C@H](C)NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C=C1C(=O)[O-]	REAL300006177067	1	47	0.0	-89.66	370.59	8.95	-80.71
COC1=CC=C([C@H](C)NC(=O)CCC2=[NH+]C(C)=C(C)N2)C=C1C(=O)[O-]	REAL300006177093	1	48	0.0	-79.59	390.21	7.79	-71.80
COC1=CC=C([C@H](C)NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300006177577	0	53	0.0	-87.52	420.65	10.84	-76.68
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300006177584	0	54	0.0	-92.30	427.91	9.80	-82.50
COC1=CC=C([C@H](C)NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C=C1C(=O)[O-]	REAL300006177720	0	47	0.0	-82.80	369.70	8.23	-74.57
COC1=CC=C([C@H](C)NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C1C(=O)[O-]	REAL300006177724	0	53	0.0	-74.60	392.28	9.20	-65.40
COC1=CC=C([C@H](C)NC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C=C1C(=O)[O-]	REAL300006177728	0	45	0.0	-81.70	371.59	9.80	-71.90
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+](CC(C)C)C2)C=C1C(=O)[O-]	REAL300006177789	0	56	0.0	-84.20	421.40	10.23	-73.97
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+](CC(C)C)C2)C=C1C(=O)[O-]	REAL300006177789	1	56	0.0	-84.07	421.36	10.22	-73.85
CC[N@@H+]1CCCC(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300006177790	0	50	0.0	-82.78	382.20	8.78	-74.00
CC[N@H+]1CCCC(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300006177790	1	50	0.0	-77.64	375.97	8.99	-68.65
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@H+](C)C2)C=C1C(=O)[O-]	REAL300006177795	0	47	0.0	-85.33	364.57	8.12	-77.21
COC1=CC=C([C@H](C)NC(=O)C2CCC[N@@H+](C)C2)C=C1C(=O)[O-]	REAL300006177795	1	47	0.0	-84.42	364.55	8.13	-76.29
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(C[NH+](C)C)O2)C=C1C(=O)[O-]	REAL300006177797	1	47	0.0	-90.69	383.47	8.23	-82.46
COC1=CC=C([C@H](C)NC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C1C(=O)[O-]	REAL300006177803	0	56	0.0	-86.39	409.97	9.64	-76.75
COC1=CC=C([C@H](C)NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C1C(=O)[O-]	REAL300006177803	1	56	0.0	-86.84	409.97	9.63	-77.21
COC1=CC=C([C@H](C)NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1C(=O)[O-]	REAL300006177806	1	49	0.0	-83.63	378.05	9.82	-73.81
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006179122	0	53	0.0	-75.69	406.20	10.78	-64.91
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006179903	0	50	0.0	-67.33	390.40	10.25	-57.08
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006179903	1	50	0.0	-66.43	388.72	10.18	-56.25
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300006180699	1	50	0.0	-67.68	399.61	10.17	-57.51
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300006180699	1	50	0.0	-69.24	405.74	10.72	-58.52
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3C[C@@H](CCC(=O)[O-])C3)CN21	REAL300006180787	1	45	0.0	-63.86	353.47	8.31	-55.55
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300006180788	0	53	0.0	-67.77	400.76	10.23	-57.54
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3C[C@@H](CCC(=O)[O-])C3)CC2)=CS1	REAL300006180853	1	52	0.0	-74.41	413.62	8.55	-65.86
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C=C1	REAL300006180928	0	56	0.0	-74.60	439.22	10.29	-64.31
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)=C1	REAL300006180942	0	56	0.0	-76.87	439.92	12.63	-64.24
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)=C1	REAL300006180942	1	56	0.0	-77.33	439.92	12.62	-64.71
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C[NH+](C)CC1=C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)OC2=CC=CC=C21	REAL300006181821	0	49	0.0	-65.55	390.39	9.40	-56.15
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CC(C)C(C(=O)N[C@H]1C[C@@H](CCC(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006181849	1	56	0.0	-64.26	406.88	8.94	-55.32
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3C[C@@H](CCC(=O)[O-])C3)=CC=C1N2	REAL300006181877	1	51	0.0	-78.08	398.26	9.46	-68.62
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)O1	REAL300006181929	0	49	0.0	-73.80	380.96	8.45	-65.35
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C[N@H+](CC(=O)N[C@H]1C[C@@H](CCC(=O)[O-])C1)CC1=CC=CC=C1	REAL300006181931	1	46	0.0	-71.78	361.83	9.14	-62.64
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@@H](CCC(=O)[O-])C1	REAL300006181979	0	53	0.0	-71.75	406.26	10.56	-61.19
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@@H](CCC(=O)[O-])C1	REAL300006181979	1	53	0.0	-72.20	406.71	10.61	-61.59
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C=C1	REAL300006181997	0	54	0.0	-77.20	427.62	10.01	-67.19
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006182015	0	50	0.0	-74.56	390.84	9.18	-65.38
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006182046	0	52	0.0	-73.36	399.14	8.76	-64.60
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006182046	1	52	0.0	-66.50	398.06	8.83	-57.67
O=C([O-])CC[C@H]1C[C@@H](NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300006182285	0	54	0.0	-73.68	413.58	11.03	-62.65
O=C([O-])CC[C@H]1C[C@@H](NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300006182285	1	54	0.0	-74.72	416.32	11.01	-63.71
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300006182317	1	53	0.0	-70.96	400.79	10.61	-60.35
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300006182317	1	53	0.0	-71.03	400.73	10.61	-60.42
C[N@@H+]1CC(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006182400	0	43	0.0	-75.49	339.51	7.26	-68.23
C[N@H+]1CC(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006182400	1	43	0.0	-78.47	348.98	7.32	-71.15
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)=C1	REAL300006182832	0	49	0.0	-74.81	385.76	9.87	-64.94
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C=C1	REAL300006182838	0	50	0.0	-76.93	393.06	8.83	-68.10
O=C([O-])CC[C@H]1C[C@@H](NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006182917	0	56	0.0	-72.52	424.51	11.43	-61.09
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3C[C@@H](CCC(=O)[O-])C3)C=C2)CCO1	REAL300006182919	1	54	0.0	-79.33	410.67	9.20	-70.13
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3C[C@@H](CCC(=O)[O-])C3)C=C2)CCO1	REAL300006182919	1	54	0.0	-79.80	417.40	9.24	-70.56
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C1	REAL300006183005	0	52	0.0	-63.74	380.06	9.47	-54.27
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C1	REAL300006183005	1	52	0.0	-67.92	386.35	9.25	-58.67
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C1	REAL300006183013	0	52	0.0	-72.25	375.16	8.68	-63.57
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C1	REAL300006183013	1	52	0.0	-72.23	375.15	8.66	-63.57
CC1(C)CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300006184276	0	50	0.0	-84.19	377.44	11.34	-72.85
CC1(C)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300006185050	0	47	0.0	-64.54	354.24	10.25	-54.29
CC1(C)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300006185050	1	47	0.0	-61.12	359.19	9.80	-51.32
CC1(C)CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1C(=O)[O-]	REAL300006185758	1	47	0.0	-62.10	380.25	10.77	-51.33
CC1(C)CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1C(=O)[O-]	REAL300006185758	1	47	0.0	-67.28	373.28	10.83	-56.45
CC1(C)CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1C(=O)[O-]	REAL300006185829	0	50	0.0	-69.78	376.85	11.26	-58.52
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C)(C)C3C(=O)[O-])CC2)=CS1	REAL300006185890	1	49	0.0	-84.37	385.20	9.15	-75.22
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C)(C)C2C(=O)[O-])C=C1	REAL300006185947	0	53	0.0	-87.03	412.98	11.12	-75.91
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C)(C)C2C(=O)[O-])=C1	REAL300006185960	0	53	0.0	-81.08	411.35	12.31	-68.77
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C)(C)C2C(=O)[O-])=C1	REAL300006185960	1	53	0.0	-80.26	411.25	12.32	-67.94
CC1(C)CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300006185961	0	53	0.0	-71.28	388.85	10.85	-60.43
CC1(C)CN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006185999	0	50	0.0	-58.88	380.46	10.16	-48.72
CC1(C)CN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006185999	1	50	0.0	-74.81	389.24	10.38	-64.43
CC1(C)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1C(=O)[O-]	REAL300006186053	1	50	0.0	-69.56	384.02	11.50	-58.06
CC1(C)CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1C(=O)[O-]	REAL300006186053	1	50	0.0	-68.53	370.76	10.94	-57.59
CC1(C)CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1C(=O)[O-]	REAL300006186054	1	47	0.0	-62.99	369.93	10.32	-52.67
CC1(C)CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1C(=O)[O-]	REAL300006186054	1	47	0.0	-68.07	362.96	10.38	-57.69
CC1(C)CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1C(=O)[O-]	REAL300006186102	0	43	0.0	-92.02	344.41	8.60	-83.42
C[NH+](C)CCN1N=CC(C(=O)N2CC(C)(C)C2C(=O)[O-])=C1C1=CC=CC=C1	REAL300006186107	0	53	0.0	-82.35	409.66	10.09	-72.26
CC1(C)CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1C(=O)[O-]	REAL300006186131	0	50	0.0	-58.47	357.78	9.41	-49.06
CC1(C)CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1C(=O)[O-]	REAL300006186131	1	50	0.0	-59.32	351.53	9.37	-49.95
CC1(C)CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1C(=O)[O-]	REAL300006186132	0	51	0.0	-85.72	370.62	8.49	-77.23
CC[N@H+](CC1=CC=C(C(=O)N2CC(C)(C)C2C(=O)[O-])C=C1)C(C)C	REAL300006186154	0	52	0.0	-89.70	377.71	10.87	-78.83
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C)(C)C2C(=O)[O-])C=C1)C(C)C	REAL300006186154	1	52	0.0	-89.91	372.49	10.64	-79.27
CC1(C)CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006186175	0	47	0.0	-68.11	363.76	10.07	-58.04
CC1(C)CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006186175	1	47	0.0	-74.61	358.16	10.55	-64.06
CC1(C)CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1C(=O)[O-]	REAL300006186176	0	48	0.0	-85.15	359.60	10.02	-75.13
C[NH+]1CCN(C(C(=O)N2CC(C)(C)C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300006186197	1	52	0.0	-65.97	394.56	8.84	-57.13
CC1(C)CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1C(=O)[O-]	REAL300006186198	0	51	0.0	-74.02	353.97	7.89	-66.13
CC(C(=O)N1CC(C)(C)C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006186201	0	46	0.0	-69.01	353.81	10.30	-58.71
CC(C(=O)N1CC(C)(C)C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006186201	1	46	0.0	-66.59	353.11	10.28	-56.31
CC1(C)CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006186208	0	53	0.0	-77.17	400.29	12.22	-64.95
CC1(C)CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006186208	1	53	0.0	-54.38	395.82	11.55	-42.83
CC1(C)CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1C(=O)[O-]	REAL300006186245	1	51	0.0	-67.34	385.96	8.20	-59.14
CC[N@H+](C)C(C(=O)N1CC(C)(C)C1C(=O)[O-])C1=CC=CC=C1	REAL300006186246	0	46	0.0	-60.94	351.46	10.42	-50.52
CC[N@@H+](C)C(C(=O)N1CC(C)(C)C1C(=O)[O-])C1=CC=CC=C1	REAL300006186246	1	46	0.0	-64.50	349.64	10.34	-54.16
CC[NH+](CC)C(C(=O)N1CC(C)(C)C1C(=O)[O-])C1=CC=CC=C1	REAL300006186251	0	49	0.0	-66.44	358.00	10.38	-56.06
C[NH+](C)C(C(=O)N1CC(C)(C)C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300006186254	1	43	0.0	-66.71	346.20	10.15	-56.56
CC1(C)CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1C(=O)[O-]	REAL300006186268	0	47	0.0	-92.90	356.59	10.51	-82.39
CC1(C)CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1C(=O)[O-]	REAL300006186274	0	50	0.0	-81.46	372.50	11.24	-70.22
CCN1CCC([NH+]2CCC(C(=O)N3CC(C)(C)C3C(=O)[O-])CC2)CC1	REAL300006186280	0	58	0.0	-79.33	405.23	8.85	-70.48
CC1C[NH+](CC2=CC=C(C(=O)N3CC(C)(C)C3C(=O)[O-])C=C2)CC(C)O1	REAL300006186286	1	54	0.0	-95.79	407.54	10.31	-85.48
CC1(C)CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300006186297	1	51	0.0	-85.47	391.48	10.54	-74.93
CC1(C)CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300006186297	1	51	0.0	-87.45	386.47	10.56	-76.89
CC1(C)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300006186312	0	50	0.0	-66.43	377.58	11.43	-55.00
CC1(C)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300006186312	1	50	0.0	-62.05	364.73	10.87	-51.18
CC1=C(C(=O)N2CC(C)(C)C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006186314	1	41	0.0	-81.38	332.13	7.23	-74.15
CC1(C)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1C(=O)[O-]	REAL300006186322	0	50	0.0	-93.38	373.91	11.24	-82.14
CC1(C)CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1C(=O)[O-]	REAL300006186333	1	43	0.0	-82.23	338.68	8.47	-73.76
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C)(C)C2C(=O)[O-])C=C1	REAL300006186334	0	46	0.0	-96.18	355.15	10.28	-85.90
CC1(C)CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300006186341	1	48	0.0	-71.31	361.63	9.61	-61.70
CC1(C)CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300006186341	1	48	0.0	-69.39	373.01	9.59	-59.80
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CC(C)(C)C1C(=O)[O-]	REAL300006186345	0	57	0.0	-66.08	421.97	12.24	-53.84
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CC(C)(C)C1C(=O)[O-]	REAL300006186345	1	57	0.0	-68.63	417.10	11.69	-56.94
CC(C(=O)N1CC(C)(C)C1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006186353	0	56	0.0	-66.04	417.03	12.82	-53.22
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(C)C1C(=O)[O-]	REAL300006186385	0	46	0.0	-68.02	358.05	10.70	-57.32
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(C)C1C(=O)[O-]	REAL300006186385	1	46	0.0	-68.11	358.06	10.71	-57.40
COCCOCC[N@H+](C)CCC(=O)N1CC(C)(C)C1C(=O)[O-]	REAL300006186386	0	50	0.0	-68.21	388.56	6.29	-61.92
COCCOCC[N@@H+](C)CCC(=O)N1CC(C)(C)C1C(=O)[O-]	REAL300006186386	1	50	0.0	-67.87	388.61	6.28	-61.59
CC1(C)CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300006186395	0	55	0.0	-80.58	413.12	10.52	-70.06
CC1(C)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1C(=O)[O-]	REAL300006186396	1	49	0.0	-64.96	362.56	8.67	-56.29
CC1(C)CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1C(=O)[O-]	REAL300006186396	1	49	0.0	-68.71	359.40	9.14	-59.57
CC(C)[NH+]1CCN(CCC(=O)N2CC(C)(C)C2C(=O)[O-])CC1	REAL300006186424	0	51	0.0	-79.35	374.26	7.55	-71.80
CC(C)N1CC[NH+](CCC(=O)N2CC(C)(C)C2C(=O)[O-])CC1	REAL300006186424	1	51	0.0	-72.50	371.08	7.39	-65.11
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C)(C)C2C(=O)[O-])CC1	REAL300006186425	0	54	0.0	-72.02	397.28	7.63	-64.39
CC(C)N1CC[NH+](CCCC(=O)N2CC(C)(C)C2C(=O)[O-])CC1	REAL300006186425	1	54	0.0	-76.41	392.16	8.14	-68.27
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C)(C)C3C(=O)[O-])CC2)=C1	REAL300006186430	0	55	0.0	-76.21	413.03	10.38	-65.83
CC1(C)CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300006186431	0	52	0.0	-76.59	391.72	9.72	-66.87
CC1(C)CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1C(=O)[O-]	REAL300006186435	0	49	0.0	-72.58	364.70	9.59	-62.99
CC1(C)CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1C(=O)[O-]	REAL300006186435	1	49	0.0	-75.14	370.32	9.49	-65.65
CC(C(=O)N1CC(C)(C)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006186439	1	47	0.0	-66.63	350.48	10.57	-56.06
CC(C(=O)N1CC(C)(C)C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006186439	1	47	0.0	-66.98	354.66	10.66	-56.32
CC1(C)CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006186465	0	50	0.0	-73.48	383.60	10.80	-62.68
CC1(C)CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006186465	1	50	0.0	-80.96	383.83	11.57	-69.39
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C)(C)C2C(=O)[O-])=NN1	REAL300006186480	1	44	0.0	-86.55	340.97	7.44	-79.11
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C)(C)C2C(=O)[O-])=NN1	REAL300006186480	1	44	0.0	-86.79	343.13	7.50	-79.29
CC1(C)CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1C(=O)[O-]	REAL300006186490	0	50	0.0	-72.96	376.19	11.42	-61.54
CC1(C)CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1C(=O)[O-]	REAL300006186490	1	50	0.0	-66.76	377.88	11.52	-55.24
CC1(C)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1C(=O)[O-]	REAL300006186491	1	46	0.0	-60.45	357.31	9.28	-51.17
CC1(C)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1C(=O)[O-]	REAL300006186491	1	46	0.0	-64.93	355.55	8.34	-56.59
CC1(C)CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1C(=O)[O-]	REAL300006186493	0	51	0.0	-75.75	389.47	9.14	-66.61
CC1(C)CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1C(=O)[O-]	REAL300006186524	0	50	0.0	-72.86	364.23	10.16	-62.70
CC1(C)CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1C(=O)[O-]	REAL300006186524	1	50	0.0	-75.13	363.82	10.20	-64.93
CC1(C)CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1C(=O)[O-]	REAL300006186539	0	55	0.0	-74.69	411.86	9.73	-64.96
CC1(C)CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1C(=O)[O-]	REAL300006186539	1	55	0.0	-72.50	409.52	9.84	-62.66
CC(C)[N@@H+]1CCC(C(=O)N2CC(C)(C)C2C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006186545	0	56	0.0	-71.26	391.74	9.07	-62.19
CC(C)[N@H+]1CCC(C(=O)N2CC(C)(C)C2C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006186545	1	56	0.0	-72.48	403.34	9.17	-63.31
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC(C)(C)C2C(=O)[O-])C=N1	REAL300006186546	0	50	0.0	-78.22	364.63	7.61	-70.61
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC(C)(C)C2C(=O)[O-])C=N1	REAL300006186546	1	50	0.0	-73.76	364.21	8.13	-65.63
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C)(C)C3C(=O)[O-])=C2)CC1	REAL300006186551	0	52	0.0	-81.68	389.62	8.81	-72.87
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C)(C)C3C(=O)[O-])C=C2)CC1	REAL300006186552	0	52	0.0	-92.91	390.40	8.66	-84.25
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C)(C)C3C(=O)[O-])C=C2)CC1	REAL300006186552	1	52	0.0	-94.18	390.75	8.73	-85.45
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C)(C)C2C(=O)[O-])C=C1	REAL300006186553	0	53	0.0	-91.95	393.69	10.29	-81.66
CC1(C)CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1C(=O)[O-]	REAL300006186625	0	54	0.0	-97.61	405.91	8.59	-89.02
CC1(C)CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006186627	0	50	0.0	-80.04	372.12	11.23	-68.81
CC1(C)CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006186627	1	50	0.0	-70.77	376.03	11.26	-59.51
CC1(C)CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006186681	0	48	0.0	-82.94	363.53	8.15	-74.79
CC1(C)CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006186681	1	48	0.0	-66.19	370.56	7.18	-59.01
C[NH+](C)CC1=C(C(=O)N2CC(C)(C)C2C(=O)[O-])OC2=CC=CC=C21	REAL300006186685	0	46	0.0	-55.30	354.37	9.86	-45.44
CC[NH+](CC)C(C(=O)N1CC(C)(C)C1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300006186687	0	52	0.0	-66.67	396.73	11.37	-55.30
CC(C)C(C(=O)N1CC(C)(C)C1C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300006186712	1	53	0.0	-59.92	379.17	8.74	-51.18
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C)(C)C3C(=O)[O-])=CC=C1N2	REAL300006186734	1	48	0.0	-85.23	370.14	9.10	-76.13
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C)(C)C3C(=O)[O-])=CC=C1N2	REAL300006186734	1	48	0.0	-88.99	365.91	9.75	-79.24
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C)(C)C2C(=O)[O-])O1	REAL300006186784	0	46	0.0	-85.32	355.09	9.47	-75.85
CC1=CC=C(N2CCC(C(=O)N3CC(C)(C)C3C(=O)[O-])CC2)[NH+]=C1	REAL300006186786	1	49	0.0	-80.08	370.70	9.23	-70.85
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C)(C)C3C(=O)[O-])C=C2)CC1	REAL300006186789	0	55	0.0	-93.37	400.68	9.79	-83.58
CC1(C)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1C(=O)[O-]	REAL300006186798	1	38	0.0	-85.01	311.77	7.42	-77.59
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)(C)C1C(=O)[O-]	REAL300006186829	0	50	0.0	-77.76	381.46	10.56	-67.20
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)(C)C1C(=O)[O-]	REAL300006186829	1	50	0.0	-79.35	378.24	11.18	-68.17
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C)(C)C2C(=O)[O-])C=C1	REAL300006186845	0	51	0.0	-92.46	401.14	10.83	-81.63
CC1(C)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1C(=O)[O-]	REAL300006186861	0	47	0.0	-86.86	360.27	9.86	-77.00
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC(C)(C)C2C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006186887	0	49	0.0	-63.27	374.20	8.82	-54.45
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC(C)(C)C2C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006186887	1	49	0.0	-55.65	373.16	8.88	-46.77
CC1(C)CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1C(=O)[O-]	REAL300006187080	0	51	0.0	-69.11	388.48	11.05	-58.06
CC1(C)CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1C(=O)[O-]	REAL300006187080	1	51	0.0	-71.36	391.18	11.07	-60.29
CC1(C)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1C(=O)[O-]	REAL300006187108	1	50	0.0	-66.94	373.97	10.48	-56.46
CC1(C)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1C(=O)[O-]	REAL300006187108	1	50	0.0	-61.33	372.00	10.47	-50.86
C[N@@H+]1CC(C(=O)N2CC(C)(C)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006187171	0	40	0.0	-78.70	304.35	7.35	-71.35
C[N@H+]1CC(C(=O)N2CC(C)(C)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006187171	1	40	0.0	-72.05	318.62	8.00	-64.05
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C)(C)C2C(=O)[O-])=C1	REAL300006187528	0	46	0.0	-85.00	353.43	10.22	-74.78
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C)(C)C2C(=O)[O-])C=C1	REAL300006187532	0	47	0.0	-93.95	362.36	9.22	-84.73
CC1(C)CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300006187597	0	53	0.0	-73.51	400.11	11.59	-61.92
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C)(C)C3C(=O)[O-])C=C2)CCO1	REAL300006187599	1	51	0.0	-95.22	385.01	9.56	-85.66
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C)(C)C3C(=O)[O-])C=C2)CCO1	REAL300006187599	1	51	0.0	-83.65	388.59	8.91	-74.74
CC1=C(C(O)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2N1	REAL300006187758	0	51	0.0	-49.08	387.96	5.14	-43.94
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3(CCC3)CC2)C1	REAL300006187853	0	50	0.0	-46.80	363.07	8.74	-38.06
CC1=NC(C2=CC=C(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=NN1	REAL300006187966	0	49	0.0	-55.00	393.84	8.15	-46.85
O=C([O-])C1CCC[N@@H+](CC(=O)N2C3CCC2C(O)CCC3)C1	REAL300006188061	0	48	0.0	-48.42	332.61	6.93	-41.49
O=C([O-])C1CCC[N@H+](CC(=O)N2C3CCC2C(O)CCC3)C1	REAL300006188061	1	48	0.0	-43.64	332.69	5.80	-37.84
CC(C1=CC=CC=C1)C(C)(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006188158	0	52	0.0	-46.34	372.53	9.52	-36.82
CC(C1=CC=CC=C1)C(C)(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006188158	1	52	0.0	-46.68	373.29	9.55	-37.13
C[C@@H]1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C[C@H](C)C1(F)F	REAL300006188302	0	46	0.0	-50.01	343.67	8.69	-41.32
C[C@@H]1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C[C@H](C)C1(F)F	REAL300006188302	1	46	0.0	-50.88	344.82	8.73	-42.15
CC(C)(C)OC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006188412	0	53	0.0	-47.43	377.85	8.66	-38.77
CC(C)(C)OC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006188412	1	53	0.0	-48.30	383.79	8.67	-39.63
O=C([O-])C[C@@H]1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C[C@H]1O	REAL300006189772	0	51	0.0	-86.38	385.28	7.12	-79.26
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@H]1O	REAL300006190549	0	48	0.0	-72.70	370.08	6.69	-66.01
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@H]1O	REAL300006190549	1	48	0.0	-69.75	364.70	6.27	-63.48
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C[C@H]1O	REAL300006191351	1	48	0.0	-73.00	382.10	6.75	-66.25
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C[C@H]1O	REAL300006191351	1	48	0.0	-51.29	388.48	7.31	-43.98
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)CN12	REAL300006191443	1	43	0.0	-76.26	336.81	4.86	-71.40
O=C([O-])C[C@@H]1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C[C@H]1O	REAL300006191444	0	51	0.0	-71.12	386.28	7.08	-64.04
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)CC2)=CS1	REAL300006191509	1	50	0.0	-81.94	396.52	5.36	-76.58
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=C1	REAL300006191587	0	54	0.0	-84.03	422.50	7.02	-77.01
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=C1	REAL300006191601	0	54	0.0	-100.27	418.86	8.91	-91.36
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=C1	REAL300006191601	1	54	0.0	-85.11	418.86	8.91	-76.20
CC1(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006191602	0	54	0.0	-61.86	393.58	7.28	-54.58
C[NH+](C)CC1(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)CCCCC1	REAL300006191685	0	50	0.0	-72.97	343.84	5.33	-67.64
C[N@H+](CCC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)C1CCCCC1	REAL300006191688	0	50	0.0	-78.51	366.83	5.88	-72.63
C[N@@H+](CCC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)C1CCCCC1	REAL300006191688	1	50	0.0	-78.15	366.79	5.87	-72.28
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@H]1O	REAL300006191712	1	51	0.0	-71.84	392.03	7.42	-64.42
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C[C@H]1O	REAL300006191712	1	51	0.0	-73.91	391.39	7.39	-66.52
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@H]1O	REAL300006191713	1	48	0.0	-73.87	371.78	6.30	-67.57
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@H]1O	REAL300006191713	1	48	0.0	-52.12	378.16	6.86	-45.26
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@H]1O	REAL300006191767	0	44	0.0	-84.15	353.84	4.37	-79.78
C[NH+](C)CCN1N=CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=C1C1=CC=CC=C1	REAL300006191772	0	54	0.0	-71.60	421.53	6.60	-65.00
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@H]1O	REAL300006191798	0	51	0.0	-68.49	365.25	5.95	-62.54
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@H]1O	REAL300006191798	1	51	0.0	-68.58	364.25	5.94	-62.64
O=C([O-])C[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@H]1O	REAL300006191799	0	52	0.0	-73.71	369.27	4.07	-69.64
O=C([O-])C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1O	REAL300006191827	1	48	0.0	-83.15	366.70	3.87	-79.28
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=C1)C(C)C	REAL300006191829	0	53	0.0	-83.32	391.19	6.80	-76.52
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=C1)C(C)C	REAL300006191829	1	53	0.0	-83.33	382.94	6.43	-76.90
O=C([O-])C[C@@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1O	REAL300006191853	0	48	0.0	-79.31	369.04	6.48	-72.83
O=C([O-])C[C@@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1O	REAL300006191853	1	48	0.0	-77.44	372.33	6.63	-70.81
O=C([O-])C[C@@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C[C@H]1O	REAL300006191854	0	49	0.0	-88.01	363.80	5.61	-82.40
C[NH+]1CCN(C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C2=CC=CC=C2)CC1	REAL300006191877	1	53	0.0	-74.51	394.74	4.58	-69.93
O=C([O-])C[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H]1O	REAL300006191878	0	52	0.0	-79.32	363.99	4.13	-75.19
CC(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)[N@H+](C)CC1=CC=CC=C1	REAL300006191881	0	47	0.0	-75.24	361.86	6.16	-69.08
CC(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006191881	1	47	0.0	-75.03	362.18	6.14	-68.89
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@H]1O	REAL300006191891	0	54	0.0	-83.69	412.39	8.20	-75.49
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@H]1O	REAL300006191891	1	54	0.0	-81.00	402.16	8.07	-72.93
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=N1	REAL300006191922	0	43	0.0	-89.41	337.28	3.85	-85.56
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006191933	0	52	0.0	-78.44	390.95	6.49	-71.95
O=C([O-])C[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C[C@H]1O	REAL300006191934	1	52	0.0	-68.16	394.87	4.15	-64.01
CC[N@H+](C)C(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)C1=CC=CC=C1	REAL300006191935	0	47	0.0	-69.28	358.88	6.21	-63.07
CC[N@@H+](C)C(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)C1=CC=CC=C1	REAL300006191935	1	47	0.0	-68.41	358.76	6.21	-62.20
CC[NH+](CC)C(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)C1=CC=CC=C1	REAL300006191940	0	50	0.0	-72.54	364.82	6.64	-65.90
C[NH+](C)C(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)C1=CC=C(Cl)C=C1	REAL300006191946	1	44	0.0	-74.64	356.63	5.98	-68.66
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@H]1O	REAL300006191960	0	48	0.0	-86.31	368.26	6.39	-79.92
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C[C@H]1O	REAL300006191967	0	51	0.0	-94.26	383.71	7.17	-87.09
CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)CC2)CC1	REAL300006191973	0	59	0.0	-57.49	421.85	4.92	-52.57
CC1C[NH+](CC2=CC=C(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)C=C2)CC(C)O1	REAL300006191980	1	55	0.0	-64.90	416.64	6.17	-58.73
O=C([O-])C[C@@H]1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@H]1O	REAL300006191989	1	52	0.0	-87.53	403.04	6.76	-80.77
O=C([O-])C[C@@H]1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@H]1O	REAL300006191989	1	52	0.0	-90.92	396.05	6.74	-84.18
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C[C@H]1O	REAL300006192003	0	51	0.0	-74.12	377.76	7.07	-67.05
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C[C@H]1O	REAL300006192003	1	51	0.0	-71.57	384.95	7.30	-64.27
CC1=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=NN1C1=CC=[NH+]C=C1	REAL300006192005	1	42	0.0	-84.12	341.79	3.70	-80.42
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C[C@H]1O	REAL300006192013	0	51	0.0	-86.69	385.01	7.10	-79.59
O=C([O-])C[C@@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@H]1O	REAL300006192025	1	44	0.0	-82.23	349.72	4.63	-77.60
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=C1	REAL300006192026	0	47	0.0	-66.15	364.25	6.12	-60.03
O=C([O-])C[C@@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@H]1O	REAL300006192034	1	49	0.0	-81.54	371.58	5.91	-75.63
O=C([O-])C[C@@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@H]1O	REAL300006192034	1	49	0.0	-88.20	378.33	6.10	-82.10
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192040	0	58	0.0	-68.44	432.01	8.35	-60.09
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192040	1	58	0.0	-66.14	426.43	8.52	-57.62
CC(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006192048	0	57	0.0	-70.34	425.20	8.71	-61.63
CC(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)[NH+]1CCSCC1	REAL300006192080	1	42	0.0	-71.80	326.04	4.20	-67.60
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192087	0	47	0.0	-76.79	367.01	6.67	-70.12
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192087	1	47	0.0	-77.40	367.56	6.65	-70.75
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192088	0	51	0.0	-77.85	396.52	2.90	-74.95
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192088	1	51	0.0	-78.65	396.57	2.91	-75.74
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C1	REAL300006192091	0	45	0.0	-71.67	329.35	2.43	-69.24
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C1	REAL300006192091	1	45	0.0	-76.34	326.93	2.49	-73.85
O=C([O-])C[C@@H]1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@H]1O	REAL300006192099	0	56	0.0	-83.80	422.68	6.41	-77.39
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C[C@H]1O	REAL300006192100	1	50	0.0	-72.29	380.62	5.61	-66.68
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C[C@H]1O	REAL300006192100	1	50	0.0	-73.01	368.76	5.16	-67.85
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C[C@H]1O	REAL300006192101	1	50	0.0	-72.07	379.58	5.44	-66.63
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C[C@H]1O	REAL300006192101	1	50	0.0	-76.63	380.48	5.54	-71.09
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192102	0	49	0.0	-75.64	372.17	5.96	-69.68
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192102	1	49	0.0	-75.10	371.60	5.99	-69.11
C[N@H+](CC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)C1CCSC1	REAL300006192126	0	42	0.0	-77.31	327.80	4.46	-72.85
C[N@@H+](CC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)C1CCSC1	REAL300006192126	1	42	0.0	-77.13	329.21	4.37	-72.76
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)CC1	REAL300006192137	0	52	0.0	-78.58	383.77	3.41	-75.17
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)CC1	REAL300006192137	1	52	0.0	-77.72	380.29	3.27	-74.45
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)CC1	REAL300006192138	0	55	0.0	-77.60	405.23	4.25	-73.35
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)CC1	REAL300006192138	1	55	0.0	-79.27	402.05	4.08	-75.19
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=N1	REAL300006192140	0	44	0.0	-96.20	347.65	3.37	-92.83
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)CC2)=C1	REAL300006192145	0	56	0.0	-81.99	422.59	6.28	-75.71
O=C([O-])C[C@@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@H]1O	REAL300006192147	0	53	0.0	-81.73	401.19	5.62	-76.11
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C[C@H]1O	REAL300006192151	0	50	0.0	-85.83	374.46	5.36	-80.47
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C[C@H]1O	REAL300006192151	1	50	0.0	-73.91	373.83	5.47	-68.44
CC(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006192156	1	48	0.0	-73.37	359.42	6.48	-66.89
CC(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006192156	1	48	0.0	-46.59	365.13	6.59	-40.00
CCC(CC)C(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)[NH+]1CCOCC1	REAL300006192171	1	54	0.0	-67.32	371.64	4.50	-62.82
O=C([O-])C[C@@H]1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1O	REAL300006192184	0	51	0.0	-84.16	392.90	7.48	-76.68
O=C([O-])C[C@@H]1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1O	REAL300006192184	1	51	0.0	-82.54	391.91	7.41	-75.13
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=N1	REAL300006192196	0	44	0.0	-91.30	350.69	3.89	-87.41
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192197	0	44	0.0	-64.41	342.76	3.37	-61.04
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192202	1	45	0.0	-71.15	354.34	5.49	-65.66
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=NN1	REAL300006192205	1	45	0.0	-85.35	345.26	3.17	-82.18
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=NN1	REAL300006192205	1	45	0.0	-83.84	345.41	3.14	-80.70
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C[C@H]1O	REAL300006192216	0	51	0.0	-88.63	386.00	7.27	-81.36
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C[C@H]1O	REAL300006192216	1	51	0.0	-73.07	385.36	7.39	-65.68
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@H]1O	REAL300006192217	1	47	0.0	-65.96	366.30	5.16	-60.80
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@H]1O	REAL300006192217	1	47	0.0	-76.84	362.12	4.81	-72.03
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192221	0	45	0.0	-76.62	340.94	2.80	-73.82
O=C([O-])C[C@@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C[C@H]1O	REAL300006192222	0	52	0.0	-81.83	398.41	4.99	-76.84
O=C([O-])C[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@H]1O	REAL300006192269	0	51	0.0	-77.70	371.79	6.07	-71.63
O=C([O-])C[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@H]1O	REAL300006192269	1	51	0.0	-77.62	371.22	6.03	-71.59
O=C([O-])C[C@@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@H]1O	REAL300006192289	0	56	0.0	-83.36	419.89	6.27	-77.09
O=C([O-])C[C@@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@H]1O	REAL300006192289	1	56	0.0	-79.63	418.39	6.07	-73.56
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192296	0	48	0.0	-76.65	342.37	2.90	-73.75
CC(C)[N@@H+]1CCC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C(C2=CN(C)N=C2)C1	REAL300006192299	0	57	0.0	-87.07	422.83	5.93	-81.14
CC(C)[N@H+]1CCC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C(C2=CN(C)N=C2)C1	REAL300006192299	1	57	0.0	-86.13	429.61	6.12	-80.01
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=N1	REAL300006192300	0	51	0.0	-84.49	373.92	4.08	-80.41
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=N1	REAL300006192300	1	51	0.0	-91.61	388.32	4.79	-86.82
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)=C2)CC1	REAL300006192306	0	53	0.0	-79.69	400.83	4.73	-74.96
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)C=C2)CC1	REAL300006192307	0	53	0.0	-58.55	399.49	4.52	-54.03
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)C=C2)CC1	REAL300006192307	1	53	0.0	-62.47	399.83	4.59	-57.88
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=C1	REAL300006192308	0	54	0.0	-64.88	402.72	6.13	-58.75
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C[C@H]1O	REAL300006192410	0	55	0.0	-67.57	415.04	4.45	-63.12
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=C1	REAL300006192414	0	44	0.0	-95.28	342.20	5.32	-89.96
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1O	REAL300006192415	0	51	0.0	-78.29	389.84	7.33	-70.96
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1O	REAL300006192415	1	51	0.0	-83.53	379.60	7.20	-76.33
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192471	0	44	0.0	-61.06	340.45	5.35	-55.71
CC[NH+]1CCN(CCC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)CC1	REAL300006192473	0	49	0.0	-80.11	367.03	2.90	-77.21
CCN1CC[NH+](CCC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)CC1	REAL300006192473	1	49	0.0	-77.86	367.04	2.95	-74.91
CC(C)C(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)[NH+]1CCCCC1	REAL300006192476	0	50	0.0	-70.24	351.31	5.74	-64.50
C[NH+](C)C(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)C1=CC=CC=C1	REAL300006192477	1	44	0.0	-71.27	340.49	5.50	-65.77
O=C([O-])C[C@@H]1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1O	REAL300006192481	0	49	0.0	-76.01	380.80	3.63	-72.38
O=C([O-])C[C@@H]1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1O	REAL300006192481	1	49	0.0	-76.62	380.09	3.56	-73.06
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192486	1	45	0.0	-70.73	353.84	5.43	-65.30
C[NH+](C)CC1=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)OC2=CC=CC=C21	REAL300006192487	0	47	0.0	-64.65	370.69	6.15	-58.50
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@H]1O	REAL300006192491	0	48	0.0	-70.37	351.56	5.57	-64.80
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@H]1O	REAL300006192491	1	48	0.0	-74.42	343.81	5.80	-68.62
CC(C)C(C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)[NH+]1CC(C)OC(C)C1	REAL300006192515	1	54	0.0	-67.26	381.86	4.53	-62.73
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)=CC=C1N2	REAL300006192542	1	49	0.0	-92.27	379.45	5.72	-86.55
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)=CC=C1N2	REAL300006192542	1	49	0.0	-92.51	379.23	5.71	-86.80
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)O1	REAL300006192595	0	47	0.0	-83.78	361.05	5.17	-78.61
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)CC2)[NH+]=C1	REAL300006192596	1	50	0.0	-80.85	378.26	5.06	-75.79
C[N@H+](CC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)CC1=CC=CC=C1	REAL300006192597	1	44	0.0	-78.80	345.10	5.81	-72.99
C[N@@H+](CC(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1)CC1=CC=CC=C1	REAL300006192597	1	44	0.0	-78.78	345.08	5.80	-72.98
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)C=C2)CC1	REAL300006192600	0	56	0.0	-64.83	405.80	5.42	-59.41
O=C([O-])C[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@H]1O	REAL300006192611	1	39	0.0	-71.32	322.49	3.28	-68.04
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192645	0	51	0.0	-78.35	390.22	7.28	-71.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006192645	1	51	0.0	-84.98	390.18	7.10	-77.88
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=C1	REAL300006192663	0	52	0.0	-88.04	409.90	6.70	-81.34
C[NH+]1CCC(OCC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)CC1	REAL300006192678	0	45	0.0	-86.00	348.38	4.42	-81.58
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@H]1O	REAL300006192682	0	48	0.0	-86.65	370.03	5.86	-80.79
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)[C@@H](C(F)(F)F)C1	REAL300006192713	0	50	0.0	-83.19	379.88	5.28	-77.91
CC(C)(C)[N@H+]1C[C@H](C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)[C@@H](C(F)(F)F)C1	REAL300006192713	1	50	0.0	-76.63	377.90	5.24	-71.39
O=C([O-])C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1O	REAL300006192873	0	45	0.0	-75.87	341.79	1.42	-74.45
O=C([O-])C[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C[C@H]1O	REAL300006192958	0	52	0.0	-88.11	389.10	7.31	-80.80
O=C([O-])C[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C[C@H]1O	REAL300006192958	1	52	0.0	-54.83	394.24	7.44	-47.39
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C[C@H]1O	REAL300006192990	1	51	0.0	-70.89	392.46	7.36	-63.53
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C[C@H]1O	REAL300006192990	1	51	0.0	-74.89	383.33	7.12	-67.77
C[N@@H+]1CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C(C(F)(F)F)C1	REAL300006193073	0	41	0.0	-87.97	328.40	3.78	-84.19
C[N@H+]1CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C(C(F)(F)F)C1	REAL300006193073	1	41	0.0	-87.83	320.45	4.33	-83.50
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=C1	REAL300006193506	0	47	0.0	-83.87	364.64	6.14	-77.73
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=C1	REAL300006193512	0	48	0.0	-67.14	371.55	5.07	-62.07
O=C([O-])C[C@@H]1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C[C@H]1O	REAL300006193591	0	54	0.0	-80.18	407.80	8.17	-72.01
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)C=C2)CCO1	REAL300006193593	1	52	0.0	-63.85	389.10	5.45	-58.40
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)C=C2)CCO1	REAL300006193593	1	52	0.0	-92.26	390.09	5.49	-86.77
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C1	REAL300006193677	0	50	0.0	-77.25	369.81	5.88	-71.37
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C1	REAL300006193677	1	50	0.0	-77.25	369.81	5.88	-71.37
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C1	REAL300006193685	0	50	0.0	-90.26	352.28	4.74	-85.52
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C1	REAL300006193685	1	50	0.0	-90.26	352.28	4.74	-85.52
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006195004	0	53	0.0	-80.77	397.62	10.49	-70.28
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300006195785	0	50	0.0	-69.78	374.32	9.37	-60.41
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300006195785	1	50	0.0	-72.52	380.13	9.88	-62.64
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300006196581	1	50	0.0	-75.56	398.53	10.49	-65.07
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300006196581	1	50	0.0	-73.61	392.37	9.92	-63.69
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CC[C@H](C(=O)[O-])CC3)CN21	REAL300006196669	1	45	0.0	-67.82	344.14	7.98	-59.84
O=C([O-])[C@H]1CC[C@H](NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300006196670	0	53	0.0	-67.11	399.63	10.62	-56.49
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)=CS1	REAL300006196735	1	52	0.0	-79.71	404.64	8.17	-71.54
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300006196810	0	56	0.0	-78.96	431.89	10.03	-68.93
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300006196824	0	56	0.0	-80.79	432.70	12.35	-68.44
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300006196824	1	56	0.0	-79.47	431.28	12.33	-67.14
CC1(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006196825	0	56	0.0	-71.50	411.33	10.85	-60.65
O=C([O-])[C@H]1CC[C@H](NC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006196868	0	53	0.0	-72.73	413.53	10.79	-61.94
O=C([O-])[C@H]1CC[C@H](NC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006196868	1	53	0.0	-71.15	412.06	10.61	-60.54
C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)CCCCC1	REAL300006196908	0	52	0.0	-76.24	362.19	8.95	-67.29
C[N@H+](CCC(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCCCC1	REAL300006196911	0	52	0.0	-75.98	376.24	8.86	-67.12
C[N@@H+](CCC(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCCCC1	REAL300006196911	1	52	0.0	-75.92	376.25	8.87	-67.05
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006196935	1	53	0.0	-75.03	393.51	10.33	-64.70
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006196935	1	53	0.0	-74.81	393.43	10.32	-64.49
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006196936	1	50	0.0	-76.55	388.21	10.04	-66.51
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006196936	1	50	0.0	-74.44	382.05	9.47	-64.97
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300006196991	0	46	0.0	-81.06	367.08	7.92	-73.14
C[NH+](C)CCN1N=CC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300006196996	0	56	0.0	-80.04	433.96	10.08	-69.96
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300006197022	0	53	0.0	-67.53	369.17	9.19	-58.34
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300006197022	1	53	0.0	-68.12	370.49	9.21	-58.91
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300006197023	0	54	0.0	-70.19	383.03	7.41	-62.78
O=C(CCCC[NH+]1CCOCC1)N[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006197051	1	50	0.0	-78.61	376.10	6.87	-71.74
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1)C(C)C	REAL300006197052	0	55	0.0	-79.00	402.94	10.36	-68.64
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1)C(C)C	REAL300006197052	1	55	0.0	-79.44	395.38	9.95	-69.49
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006197076	0	50	0.0	-76.43	381.38	9.68	-66.75
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006197076	1	50	0.0	-74.95	382.94	9.76	-65.19
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300006197077	0	51	0.0	-84.14	381.75	9.15	-74.99
C[NH+]1CCN(C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300006197099	1	55	0.0	-66.04	403.22	7.69	-58.35
O=C([O-])[C@H]1CC[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300006197100	0	54	0.0	-77.03	376.25	7.07	-69.96
CC(C(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300006197103	0	49	0.0	-73.49	371.43	9.24	-64.25
CC(C(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300006197103	1	49	0.0	-73.32	372.59	9.27	-64.05
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CC1=[NH+]C=C2CCC(C(=O)NCCCCCCCCCC(=O)[O-])CN21	REAL300006201500	1	56	0.0	-67.62	434.06	10.93	-56.69
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C[N@@H+]1CCCCC1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006201581	0	54	0.0	-69.72	399.07	9.61	-60.11
C[N@H+]1CCCCC1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006201581	1	54	0.0	-69.74	399.09	9.60	-60.14
CC(C(=O)NCCCCCCCCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300006201582	1	59	0.0	-73.54	439.76	8.02	-65.52
C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006201623	0	54	0.0	-68.66	408.39	9.77	-58.89
C[N@H+]1CCCC[C@H]1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006201623	1	54	0.0	-69.77	399.11	9.61	-60.16
C[NH+]1CCC(C(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006201709	0	54	0.0	-77.02	411.03	9.85	-67.17
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C[NH+](C)CC1(C(=O)NCCCCCCCCCC(=O)[O-])CCCCC1	REAL300006201772	0	63	0.0	-73.82	454.91	11.55	-62.27
C[N@H+](CCC(=O)NCCCCCCCCCC(=O)[O-])C1CCCCC1	REAL300006201777	0	63	0.0	-74.89	464.84	11.76	-63.13
C[N@@H+](CCC(=O)NCCCCCCCCCC(=O)[O-])C1CCCCC1	REAL300006201777	1	63	0.0	-74.88	464.84	11.78	-63.10
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O=C([O-])CCCCCCCCCNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006201870	0	64	0.0	-66.49	463.30	11.95	-54.54
O=C([O-])CCCCCCCCCNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300006201870	1	64	0.0	-66.46	463.97	12.00	-54.46
O=C([O-])CCCCCCCCCNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006201871	0	65	0.0	-79.09	478.15	10.46	-68.63
CC1=[NH+]C=CN1CCCC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006201904	1	55	0.0	-71.16	437.40	11.09	-60.07
O=C([O-])CCCCCCCCCNC(=O)CCCC[NH+]1CCOCC1	REAL300006201905	1	61	0.0	-77.98	464.70	9.78	-68.20
CC[N@H+](CC1=CC=C(C(=O)NCCCCCCCCCC(=O)[O-])C=C1)C(C)C	REAL300006201908	0	66	0.0	-77.92	493.12	13.28	-64.64
CC[N@@H+](CC1=CC=C(C(=O)NCCCCCCCCCC(=O)[O-])C=C1)C(C)C	REAL300006201908	1	66	0.0	-79.17	484.73	13.02	-66.15
O=C([O-])CCCCCCCCCNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006201961	0	61	0.0	-74.54	472.13	12.73	-61.81
O=C([O-])CCCCCCCCCNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006201961	1	61	0.0	-75.79	469.99	12.60	-63.19
O=C([O-])CCCCCCCCCNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006201962	0	62	0.0	-82.01	466.25	11.82	-70.19
O=C([O-])CCCCCCCCCNC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006201986	0	65	0.0	-74.24	463.75	10.08	-64.16
CCC(C(=O)NCCCCCCCCCC(=O)[O-])[NH+](CC)CC	REAL300006201990	0	59	0.0	-65.73	432.26	10.54	-55.19
CC(C(=O)NCCCCCCCCCC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006201992	0	60	0.0	-72.22	461.39	12.18	-60.04
CC(C(=O)NCCCCCCCCCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006201992	1	60	0.0	-73.29	461.21	12.16	-61.13
C[NH+](C)CC1=CC=C(C(=O)NCCCCCCCCCC(=O)[O-])C=N1	REAL300006202024	0	56	0.0	-79.11	440.36	10.20	-68.91
CCC[NH+](CCC)CCCC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202033	0	65	0.0	-74.50	484.51	12.11	-62.39
CC[N@H+](C)C(C(=O)NCCCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300006202034	0	60	0.0	-68.83	458.88	12.32	-56.51
CC[N@@H+](C)C(C(=O)NCCCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300006202034	1	60	0.0	-69.24	459.68	12.28	-56.96
C[N@@H+]1CCOC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006202036	1	52	0.0	-82.72	403.81	8.64	-74.08
C[N@H+]1CCOC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006202036	1	52	0.0	-75.20	396.71	8.49	-66.71
CC[NH+](CC)C(C(=O)NCCCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300006202039	0	63	0.0	-69.84	468.10	12.46	-57.38
CC(C)C1=[NH+]C=CN1CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202048	1	55	0.0	-67.72	432.07	10.91	-56.81
C[NH+](C)C(C(=O)NCCCCCCCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300006202053	1	57	0.0	-73.89	457.82	12.19	-61.70
O=C([O-])CCCCCCCCCNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006202066	0	61	0.0	-80.47	468.51	12.75	-67.72
O=C([O-])CCCCCCCCCNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006202073	0	64	0.0	-75.50	486.15	13.52	-61.98
C[NH+](C)CC1(C(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202079	0	54	0.0	-73.86	418.23	9.95	-63.91
C[NH+](C)CCCCC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202088	0	56	0.0	-75.95	431.79	10.32	-65.63
CC(C)C(C(=O)NCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300006202097	0	56	0.0	-70.60	416.47	10.38	-60.22
O=C([O-])CCCCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300006202110	0	64	0.0	-69.50	485.12	13.33	-56.17
O=C([O-])CCCCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300006202110	1	64	0.0	-69.61	475.63	13.18	-56.43
CC1=C(C(=O)NCCCCCCCCCC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006202112	1	55	0.0	-81.01	440.60	10.03	-70.98
O=C([O-])CCCCCCCCCNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006202120	0	64	0.0	-80.92	485.84	13.48	-67.44
O=C([O-])CCCCCCCCCNC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006202134	1	57	0.0	-79.92	449.84	10.27	-69.65
C[NH+](C)CCC1=CC=C(C(=O)NCCCCCCCCCC(=O)[O-])C=C1	REAL300006202135	0	60	0.0	-82.73	467.07	12.51	-70.22
CNC1=[NH+]C(C)=CC=C1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202147	1	53	0.0	-66.12	415.74	9.25	-56.87
O=C([O-])CCCCCCCCCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006202149	1	62	0.0	-83.48	480.55	12.20	-71.28
O=C([O-])CCCCCCCCCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006202149	1	62	0.0	-78.74	473.50	12.04	-66.70
CCC[N@H+](C)CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202158	0	53	0.0	-71.99	405.66	9.60	-62.39
CCC[N@@H+](C)CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202158	1	53	0.0	-71.97	405.66	9.59	-62.38
C[N@H+](CC(=O)NCCCCCCCCCC(=O)[O-])C1CCC1	REAL300006202181	0	54	0.0	-69.85	412.65	10.16	-59.69
C[N@@H+](CC(=O)NCCCCCCCCCC(=O)[O-])C1CCC1	REAL300006202181	1	54	0.0	-70.09	412.55	10.16	-59.93
CC(C(=O)NCCCCCCCCCC(=O)[O-])[NH+]1CCSCC1	REAL300006202205	1	55	0.0	-72.64	420.66	10.06	-62.58
C[N@H+](CC(=O)NCCCCCCCCCC(=O)[O-])CC(C)(C)C	REAL300006202211	0	59	0.0	-71.88	434.27	10.59	-61.29
C[N@@H+](CC(=O)NCCCCCCCCCC(=O)[O-])CC(C)(C)C	REAL300006202211	1	59	0.0	-71.65	436.22	10.73	-60.92
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202213	0	60	0.0	-76.00	465.57	12.62	-63.38
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202213	1	60	0.0	-76.01	465.57	12.62	-63.39
COCCOCC[N@H+](C)CCC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202214	0	64	0.0	-74.87	494.56	8.80	-66.07
COCCOCC[N@@H+](C)CCC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202214	1	64	0.0	-75.71	494.61	8.81	-66.90
CC[C@@H](C(=O)NCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300006202218	0	53	0.0	-68.91	396.67	9.20	-59.71
C[N@@H+]1CCCC(O)(CC(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006202220	0	58	0.0	-69.23	427.05	8.34	-60.89
C[N@H+]1CCCC(O)(CC(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006202220	1	58	0.0	-68.86	436.74	8.53	-60.33
O=C([O-])CCCCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300006202240	1	63	0.0	-74.23	480.12	11.58	-62.65
O=C([O-])CCCCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300006202240	1	63	0.0	-74.36	470.64	11.44	-62.92
O=C([O-])CCCCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300006202241	1	63	0.0	-71.72	479.99	11.47	-60.25
O=C([O-])CCCCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300006202241	1	63	0.0	-72.17	470.55	11.42	-60.75
CCCCCC[N@H+](C)CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202243	0	62	0.0	-73.27	470.16	11.93	-61.34
CCCCCC[N@@H+](C)CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202243	1	62	0.0	-73.25	470.16	11.93	-61.32
O=C([O-])CCCCCCCCCNC(=O)C12CCC[NH+]1CCC2	REAL300006202253	0	55	0.0	-72.79	411.16	10.18	-62.61
O=C([O-])CCCCCCCCCNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006202261	1	49	0.0	-78.16	396.87	11.70	-66.46
C[N@H+](CC(=O)NCCCCCCCCCC(=O)[O-])C1CCSC1	REAL300006202275	0	55	0.0	-77.50	427.15	10.41	-67.09
C[N@@H+](CC(=O)NCCCCCCCCCC(=O)[O-])C1CCSC1	REAL300006202275	1	55	0.0	-77.65	425.77	10.40	-67.25
CC(C)[NH+]1CCN(CCC(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202291	0	65	0.0	-73.25	481.78	9.36	-63.89
CC(C)N1CC[NH+](CCC(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202291	1	65	0.0	-74.88	478.09	9.15	-65.73
CC(C)[NH+]1CCN(CCCC(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202292	0	68	0.0	-72.35	503.28	10.16	-62.19
CC(C)N1CC[NH+](CCCC(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202292	1	68	0.0	-75.30	499.59	9.95	-65.35
O=C([O-])CCCCCCCCCNC(=O)C1CCCC2CCC[N@@H+]21	REAL300006202293	0	58	0.0	-65.31	431.02	11.01	-54.30
O=C([O-])CCCCCCCCCNC(=O)C1CCCC2CCC[N@H+]21	REAL300006202293	1	58	0.0	-65.46	430.97	11.01	-54.45
C[NH+](C)CCN1C=C(C(=O)NCCCCCCCCCC(=O)[O-])C=N1	REAL300006202295	0	57	0.0	-81.32	450.75	9.68	-71.64
O=C([O-])CCCCCCCCCNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006202306	0	63	0.0	-77.48	482.51	11.61	-65.87
O=C([O-])CCCCCCCCCNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006202306	1	63	0.0	-72.97	476.13	11.71	-61.26
CC(C(=O)NCCCCCCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006202311	1	61	0.0	-72.52	461.46	12.75	-59.77
CC(C(=O)NCCCCCCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006202311	1	61	0.0	-72.52	461.48	12.75	-59.77
CCC(CC)C(C(=O)NCCCCCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300006202328	1	67	0.0	-68.05	477.01	11.04	-57.01
CCCC(C(=O)NCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300006202332	0	56	0.0	-70.81	422.10	10.54	-60.27
O=C([O-])CCCCCCCCCNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006202333	0	64	0.0	-77.73	489.51	13.33	-64.40
O=C([O-])CCCCCCCCCNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006202333	1	64	0.0	-78.38	491.25	13.41	-64.97
C[NH+](C)CCN1C=CC(C(=O)NCCCCCCCCCC(=O)[O-])=N1	REAL300006202348	0	57	0.0	-84.86	451.12	9.69	-75.17
C[NH+](C)CCN1N=CC=C1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202349	0	57	0.0	-70.38	446.20	9.64	-60.74
C[C@@H]1[C@H](C(=O)NCCCCCCCCCC(=O)[O-])CC[N@@H+]1C	REAL300006202353	0	54	0.0	-74.03	404.09	9.36	-64.67
C[C@@H]1[C@H](C(=O)NCCCCCCCCCC(=O)[O-])CC[N@H+]1C	REAL300006202353	1	54	0.0	-73.27	408.52	9.68	-63.59
CCC1=[NH+]C=CN1C(C)CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202355	1	58	0.0	-67.87	452.38	11.39	-56.48
CC[C@@H]1[C@@H](C(=O)NCCCCCCCCCC(=O)[O-])CC[N@@H+]1C	REAL300006202358	0	57	0.0	-73.92	423.89	9.87	-64.05
CC[C@@H]1[C@@H](C(=O)NCCCCCCCCCC(=O)[O-])CC[N@H+]1C	REAL300006202358	1	57	0.0	-71.68	427.45	10.39	-61.29
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202361	1	53	0.0	-69.37	413.12	9.96	-59.41
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202361	1	53	0.0	-69.39	418.98	10.48	-58.91
CC1C[N@H+](C)CC(C(=O)NCCCCCCCCCC(=O)[O-])O1	REAL300006202367	1	55	0.0	-75.59	417.90	9.21	-66.38
CC1C[N@@H+](C)CC(C(=O)NCCCCCCCCCC(=O)[O-])O1	REAL300006202367	1	55	0.0	-75.61	417.88	9.22	-66.39
O=C([O-])CCCCCCCCCNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300006202373	1	60	0.0	-67.63	467.33	11.24	-56.39
O=C([O-])CCCCCCCCCNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300006202373	1	60	0.0	-73.45	464.51	11.00	-62.45
CC1=[NH+]C=CN1CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202377	1	49	0.0	-69.33	394.83	9.76	-59.57
CC(C[NH+]1CCOCC1)C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202379	0	58	0.0	-69.16	437.13	9.04	-60.12
CC1CC[NH+](CC(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202394	0	57	0.0	-72.28	429.39	10.67	-61.61
CC[N@@H+]1CCOC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006202406	1	55	0.0	-74.26	414.47	9.13	-65.13
CC[N@H+]1CCOC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006202406	1	55	0.0	-74.26	414.47	9.13	-65.13
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202443	1	64	0.0	-84.15	483.96	11.62	-72.53
O=C([O-])CCCCCCCCCNC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006202444	0	64	0.0	-72.90	471.09	12.06	-60.84
O=C([O-])CCCCCCCCCNC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006202444	1	64	0.0	-72.90	471.07	12.06	-60.84
C[N@@H+]1CCCC1CCC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202450	0	57	0.0	-75.67	433.82	10.68	-64.99
C[N@H+]1CCCC1CCC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202450	1	57	0.0	-72.78	428.38	10.21	-62.57
O=C([O-])CCCCCCCCCNC(=O)C12CCC[NH+](CCC1)C2	REAL300006202463	0	58	0.0	-73.39	423.82	10.38	-63.01
C[N@@H+]1CC(O)CC1(C)C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202465	0	55	0.0	-77.40	413.95	6.55	-70.85
C[N@H+]1CC(O)CC1(C)C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202465	1	55	0.0	-76.37	412.04	6.74	-69.63
O=C([O-])CCCCCCCCCNC(=O)C1CCC2CCCC[N@@H+]21	REAL300006202466	0	58	0.0	-66.74	434.31	11.13	-55.61
O=C([O-])CCCCCCCCCNC(=O)C1CCC2CCCC[N@H+]21	REAL300006202466	1	58	0.0	-66.78	434.28	11.12	-55.66
CC(C)(C[NH+]1CCOCC1)C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202473	0	61	0.0	-70.44	447.22	9.27	-61.17
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCCCCCCCCC(=O)[O-])C=N1	REAL300006202478	0	64	0.0	-79.79	474.35	10.32	-69.47
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCCCCCCCCC(=O)[O-])C=N1	REAL300006202478	1	64	0.0	-83.58	482.81	10.56	-73.02
CC[NH+](CC)CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202489	0	53	0.0	-70.22	398.02	9.26	-60.96
CC(C)[NH+]1CCC(C(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202491	0	60	0.0	-74.22	441.68	10.80	-63.42
O=C([O-])CCCCCCCCCNC(=O)C12CC[NH+](CC1)C2	REAL300006202571	0	52	0.0	-74.83	397.93	8.72	-66.11
CCC(C(=O)NCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300006202574	0	53	0.0	-69.27	396.85	9.18	-60.09
O=C([O-])CCCCCCCCCNC(=O)C12CC[N@H+](C1)CCC2	REAL300006202582	0	55	0.0	-77.80	408.36	9.41	-68.39
O=C([O-])CCCCCCCCCNC(=O)C12CC[N@@H+](C1)CCC2	REAL300006202582	1	55	0.0	-73.92	408.08	9.40	-64.52
CC1CCC(C)[NH+]1CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202630	0	57	0.0	-67.94	423.46	10.06	-57.88
C[NH+](C)CC1=CC=CC(C(=O)NCCCCCCCCCC(=O)[O-])=C1	REAL300006202631	0	57	0.0	-76.75	444.64	11.67	-65.08
O=C([O-])CCCCCCCCCNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006202632	0	64	0.0	-70.09	481.33	13.57	-56.52
O=C([O-])CCCCCCCCCNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006202632	1	64	0.0	-73.59	487.53	13.37	-60.22
C[NH+](C)C1(C(=O)NCCCCCCCCCC(=O)[O-])CCC1	REAL300006202671	0	54	0.0	-74.82	400.60	9.34	-65.48
C#CC[NH+]1CCC(C(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202702	0	56	0.0	-77.91	436.20	11.05	-66.86
CCC[N@@H+]1CCCCC1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202704	0	60	0.0	-68.80	438.27	11.01	-57.79
CCC[N@H+]1CCCCC1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202704	1	60	0.0	-68.00	447.71	11.16	-56.84
C[NH+](C)CC1=CC=CC=C1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202705	0	57	0.0	-64.02	437.51	11.93	-52.09
CC[NH+]1CCN(CCC(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202707	0	62	0.0	-75.35	463.88	8.69	-66.66
CCN1CC[NH+](CCC(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202707	1	62	0.0	-74.82	465.04	8.84	-65.98
CC(C)[N@H+](C)CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202708	0	53	0.0	-69.56	400.85	9.37	-60.19
CC(C)[N@@H+](C)CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202708	1	53	0.0	-69.54	400.85	9.38	-60.16
CC(C)C(C(=O)NCCCCCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300006202709	0	63	0.0	-67.07	452.73	12.11	-54.96
C[NH+](C)C(C(=O)NCCCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300006202710	1	57	0.0	-69.99	441.12	11.68	-58.31
O=C([O-])CCCCCCCCCNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006202714	0	62	0.0	-72.99	479.80	9.59	-63.40
O=C([O-])CCCCCCCCCNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006202714	1	62	0.0	-72.88	479.64	9.59	-63.29
CC(C)C1=[NH+]C=CN1CCC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202719	1	58	0.0	-67.71	451.87	11.34	-56.37
C[NH+](C)CC1=C(C(=O)NCCCCCCCCCC(=O)[O-])OC2=CC=CC=C21	REAL300006202721	0	60	0.0	-68.78	465.68	11.99	-56.79
O=C([O-])CCCCCCCCCNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006202727	0	61	0.0	-70.67	442.46	11.54	-59.13
O=C([O-])CCCCCCCCCNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006202727	1	61	0.0	-69.17	452.40	11.57	-57.60
CC[N@H+](CC(=O)NCCCCCCCCCC(=O)[O-])C1CC1	REAL300006202729	0	54	0.0	-69.12	412.79	10.16	-58.96
CC[N@@H+](CC(=O)NCCCCCCCCCC(=O)[O-])C1CC1	REAL300006202729	1	54	0.0	-69.15	412.81	10.20	-58.95
CC(C)C(C(=O)NCCCCCCCCCC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300006202758	1	67	0.0	-67.60	488.21	10.68	-56.92
CC(C(=O)NCCCCCCCCCC(=O)[O-])[NH+]1CCCCCC1	REAL300006202759	0	60	0.0	-68.76	437.52	10.97	-57.79
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCCCCCCCCC(=O)[O-])=CC=C1N2	REAL300006202800	1	62	0.0	-80.93	479.38	12.11	-68.82
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCCCCCCCCC(=O)[O-])=CC=C1N2	REAL300006202800	1	62	0.0	-80.91	479.58	12.08	-68.83
CC(C)(C)[NH2+]CC(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202848	0	53	0.0	-70.99	405.38	7.91	-63.08
CC[NH+](CC)CC1=CC=C(C(=O)NCCCCCCCCCC(=O)[O-])O1	REAL300006202850	0	60	0.0	-77.03	466.30	11.37	-65.66
O=C([O-])CCCCCCCCCNC(=O)CCCC[NH+]1CCCC1	REAL300006202851	0	60	0.0	-74.66	457.76	11.50	-63.16
CC1=CC=C(N2CCC(C(=O)NCCCCCCCCCC(=O)[O-])CC2)[NH+]=C1	REAL300006202853	1	63	0.0	-72.11	480.45	11.26	-60.85
C[N@H+](CC(=O)NCCCCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300006202854	1	57	0.0	-76.26	443.09	11.77	-64.49
C[N@@H+](CC(=O)NCCCCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300006202854	1	57	0.0	-76.31	443.09	11.77	-64.54
CC(C)[C@@H](C(=O)NCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300006202865	0	56	0.0	-69.35	410.65	9.73	-59.62
O=C([O-])CCCCCCCCCNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006202883	1	52	0.0	-80.36	425.73	9.62	-70.74
C[NH+](C)CC1=CC(C(=O)NCCCCCCCCCC(=O)[O-])=NO1	REAL300006202912	1	53	0.0	-81.23	424.53	9.15	-72.08
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202916	0	64	0.0	-79.70	491.13	13.15	-66.55
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202916	1	64	0.0	-75.63	488.63	13.27	-62.36
CC(C)[N@@H+]1CCCC1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202930	0	57	0.0	-69.38	419.30	10.46	-58.92
CC(C)[N@H+]1CCCC1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006202930	1	57	0.0	-67.42	425.22	10.30	-57.12
C[NH+]1CCC(OCC(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006202953	0	58	0.0	-79.77	446.38	10.27	-69.50
O=C([O-])CCCCCCCCCNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006202958	0	61	0.0	-78.92	472.58	11.87	-67.05
CCC[N@@H+]1CCCC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006203150	0	60	0.0	-66.46	443.91	11.40	-55.06
CCC[N@H+]1CCCC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006203150	1	60	0.0	-72.30	450.18	11.20	-61.10
CC(C)C[N@@H+]1CCCC1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006203181	0	60	0.0	-68.57	451.34	11.36	-57.21
CC(C)C[N@H+]1CCCC1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006203181	1	60	0.0	-68.90	451.07	11.39	-57.51
O=C([O-])CCCCCCCCCNC(=O)C[NH+]1CCC(CO)CC1	REAL300006203182	0	58	0.0	-73.44	440.22	7.36	-66.08
CC(C)[N@@H+]1CCCC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006203409	0	60	0.0	-65.50	439.07	11.17	-54.33
CC(C)[N@H+]1CCCC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006203409	1	60	0.0	-70.61	445.33	10.98	-59.63
C[N@@H+]1CC(C(=O)NCCCCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300006203410	0	54	0.0	-79.00	420.82	9.90	-69.10
C[N@H+]1CC(C(=O)NCCCCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300006203410	1	54	0.0	-78.05	422.72	10.01	-68.04
CC1=C(C)[NH+]=C(CCC(=O)NCCCCCCCCCC(=O)[O-])N1	REAL300006203436	1	55	0.0	-68.45	436.67	9.47	-58.98
C[NH+](C)CCC1=CC=CC(C(=O)NCCCCCCCCCC(=O)[O-])=C1	REAL300006203930	0	60	0.0	-77.95	467.08	12.51	-65.44
C[NH+](C)CCOC1=CC=C(C(=O)NCCCCCCCCCC(=O)[O-])C=C1	REAL300006203937	0	61	0.0	-80.65	474.37	11.46	-69.19
C[NH+](C)[C@H]1C[C@H](C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006204075	0	54	0.0	-73.84	415.98	9.91	-63.93
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCCCCCCCCC(=O)[O-])CC1	REAL300006204079	0	60	0.0	-70.03	438.72	10.87	-59.16
CC(C)C[N@@H+]1CCCC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006204146	0	63	0.0	-66.79	461.33	12.10	-54.69
CC(C)C[N@H+]1CCCC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006204146	1	63	0.0	-66.79	461.33	12.10	-54.69
CC[N@@H+]1CCCC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006204147	0	57	0.0	-71.72	428.66	10.46	-61.26
CC[N@H+]1CCCC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006204147	1	57	0.0	-71.72	428.66	10.46	-61.26
C[N@@H+]1CCCC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006204151	0	54	0.0	-66.61	404.75	10.01	-56.60
C[N@H+]1CCCC(C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006204151	1	54	0.0	-66.61	404.75	10.01	-56.60
CN(C)CC1=CC=C(C(=O)NCCCCCCCCCC(=O)[O-])O1	REAL300006204153	0	54	0.0	-79.82	429.92	9.90	-69.92
C[NH+](C)CC1=CC=C(C(=O)NCCCCCCCCCC(=O)[O-])O1	REAL300006204153	1	54	0.0	-79.82	429.92	9.90	-69.92
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006204159	0	63	0.0	-75.29	456.43	11.30	-63.99
C[N@H+]1CCCC(C(C)(C)C(=O)NCCCCCCCCCC(=O)[O-])C1	REAL300006204159	1	63	0.0	-75.29	456.43	11.30	-63.99
O=C([O-])CCCCCCCCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006204162	0	56	0.0	-71.79	424.43	11.52	-60.27
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CCOCC2)C2CC2)C1	REAL300006204225	0	51	0.0	-47.01	364.39	8.60	-38.41
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CCOCC2)C2CC2)C1	REAL300006204225	1	51	0.0	-47.01	364.39	8.60	-38.41
CC1=C(Br)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(C)S1	REAL300006204361	0	43	0.0	-47.67	366.13	8.36	-39.31
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC3CCCC(C3)C2)C1	REAL300006204444	0	50	0.0	-47.31	344.64	8.39	-38.92
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006205667	0	44	0.0	-81.06	355.11	9.74	-71.32
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300006205685	1	41	0.0	-70.35	340.44	9.31	-61.04
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C1CC1	REAL300006205685	1	41	0.0	-70.11	337.50	9.17	-60.94
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C(=O)[O-])=CC(Br)=C3C)CN12	REAL300006205689	1	42	0.0	-72.21	352.33	9.56	-62.65
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[NH+](C)C	REAL300006205732	1	33	0.0	-76.96	285.88	6.89	-70.07
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@H+]1C	REAL300006205733	1	40	0.0	-73.71	318.48	8.30	-65.41
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@@H+]1C	REAL300006205733	1	40	0.0	-73.40	317.85	8.26	-65.14
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300006205734	1	45	0.0	-76.77	357.05	6.70	-70.07
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCCC[N@H+]1C	REAL300006205763	1	40	0.0	-72.76	326.36	8.46	-64.30
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCCC[N@@H+]1C	REAL300006205763	1	40	0.0	-74.85	317.47	8.27	-66.58
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C)CC1	REAL300006205803	0	40	0.0	-84.10	330.25	8.54	-75.56
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006205829	0	35	0.0	-78.92	316.06	10.39	-68.53
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300006205848	0	49	0.0	-87.33	368.43	10.38	-76.95
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300006205852	0	49	0.0	-80.91	384.30	10.48	-70.43
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300006205852	1	49	0.0	-80.24	383.33	10.42	-69.82
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C	REAL300006205861	1	37	0.0	-74.80	304.68	7.40	-67.40
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C	REAL300006205861	1	37	0.0	-71.02	311.40	7.84	-63.18
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C)CC1	REAL300006205900	0	40	0.0	-84.10	330.25	8.54	-75.56
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006205931	1	41	0.0	-75.99	356.85	9.80	-66.19
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300006205932	1	47	0.0	-83.59	384.14	8.48	-75.11
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@H](C)[NH+](C)C	REAL300006205938	0	36	0.0	-75.41	303.29	7.29	-68.12
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@H]1CCC[N@H+]1C	REAL300006205939	1	37	0.0	-74.83	304.66	7.40	-67.43
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300006205939	1	37	0.0	-70.93	310.47	7.78	-63.15
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@@H](C)[NH+](C)C	REAL300006205943	0	36	0.0	-73.63	303.08	7.37	-66.26
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1([NH+](C)C)CC1	REAL300006205951	1	37	0.0	-84.47	305.74	7.80	-76.67
CCC(C(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C)[NH+](CC)CC	REAL300006206006	0	45	0.0	-68.43	346.40	8.98	-59.45
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300006206023	0	42	0.0	-85.99	359.81	8.91	-77.08
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006206026	0	51	0.0	-79.24	407.63	11.09	-68.15
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](C)CCO1	REAL300006206027	1	38	0.0	-90.82	322.60	7.18	-83.64
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](C)CCO1	REAL300006206027	1	38	0.0	-76.65	315.89	7.10	-69.55
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CN1C=C[NH+]=C1C(C)C	REAL300006206036	1	41	0.0	-71.43	351.55	9.62	-61.81
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CC1	REAL300006206045	0	40	0.0	-83.23	331.18	8.65	-74.58
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+](C)C	REAL300006206050	0	42	0.0	-82.02	351.24	9.03	-72.99
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C(C(C)C)[NH+](C)C	REAL300006206060	0	42	0.0	-70.14	328.35	8.66	-61.48
CCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006206082	0	39	0.0	-75.95	324.17	8.27	-67.68
CCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006206082	1	39	0.0	-76.48	325.11	8.31	-68.17
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)C1CCC1	REAL300006206099	0	40	0.0	-73.39	332.10	8.88	-64.51
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)C1CCC1	REAL300006206099	1	40	0.0	-74.25	332.00	8.87	-65.38
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300006206112	0	45	0.0	-75.95	352.37	9.28	-66.67
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300006206112	1	45	0.0	-76.43	356.07	9.46	-66.97
CC[C@@H](C(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C)[NH+](C)C	REAL300006206115	0	39	0.0	-72.22	315.52	7.87	-64.35
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300006206117	0	44	0.0	-72.68	345.16	6.89	-65.79
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300006206117	1	44	0.0	-78.98	342.76	7.04	-71.94
CCCCCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006206137	0	48	0.0	-77.16	388.67	10.61	-66.55
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006206137	1	48	0.0	-77.74	389.60	10.66	-67.08
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C12CCC[NH+]1CCC2	REAL300006206143	0	41	0.0	-82.01	329.39	8.78	-73.23
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006206150	1	35	0.0	-86.51	316.33	10.42	-76.09
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)C1CCSC1	REAL300006206156	1	41	0.0	-80.40	345.38	9.13	-71.27
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)C1CCSC1	REAL300006206156	1	41	0.0	-79.84	344.19	9.10	-70.74
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006206171	0	44	0.0	-74.65	341.62	9.39	-65.26
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCCC2CCC[N@H+]21	REAL300006206171	1	44	0.0	-68.32	350.04	9.66	-58.66
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300006206172	0	43	0.0	-85.94	370.21	8.39	-77.55
CCCC(C(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C)[NH+](C)C	REAL300006206191	0	42	0.0	-77.09	338.62	8.76	-68.33
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300006206200	0	43	0.0	-93.59	370.62	8.41	-85.18
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300006206201	0	43	0.0	-62.18	364.05	8.28	-53.90
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300006206203	0	40	0.0	-84.73	322.15	7.89	-76.84
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300006206203	1	40	0.0	-80.17	326.96	8.14	-72.03
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006206205	1	44	0.0	-73.18	371.83	10.10	-63.08
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)CC[N@@H+]1C	REAL300006206207	0	43	0.0	-81.88	341.64	8.58	-73.30
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)CC[N@H+]1C	REAL300006206207	1	43	0.0	-80.02	350.56	9.10	-70.92
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300006206212	1	41	0.0	-93.57	336.36	7.91	-85.66
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300006206212	1	41	0.0	-89.61	337.05	7.90	-81.71
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[NH+]1CCCC1	REAL300006206218	1	37	0.0	-75.42	308.85	7.87	-67.55
CC1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006206220	1	35	0.0	-71.70	315.31	8.51	-63.19
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C(C)C[NH+]1CCOCC1	REAL300006206222	0	44	0.0	-79.40	357.41	7.61	-71.79
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[NH+]1CCC(C)CC1	REAL300006206241	1	43	0.0	-77.80	348.18	9.36	-68.44
CC[N@@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)C1	REAL300006206249	1	41	0.0	-83.45	334.24	7.73	-75.72
CC[N@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)C1	REAL300006206249	1	41	0.0	-88.51	340.36	7.82	-80.69
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCC1CCC[N@H+]1C	REAL300006206273	0	43	0.0	-81.98	352.28	9.34	-72.64
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCC1CCC[N@@H+]1C	REAL300006206273	1	43	0.0	-77.19	346.01	8.86	-68.33
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C12CCC[NH+](CCC1)C2	REAL300006206281	0	44	0.0	-77.51	342.37	9.03	-68.48
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300006206283	1	41	0.0	-82.15	331.39	4.95	-77.20
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300006206283	1	41	0.0	-87.24	330.08	4.96	-82.28
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006206284	0	44	0.0	-70.35	352.02	9.74	-60.61
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCC2CCCC[N@H+]21	REAL300006206284	1	44	0.0	-71.16	352.72	9.78	-61.38
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300006206288	0	47	0.0	-72.80	365.85	7.96	-64.84
CC[NH+](CC)CC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006206297	0	39	0.0	-74.83	317.27	7.99	-66.84
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C(C)C)CC1	REAL300006206299	0	46	0.0	-81.55	364.56	9.73	-71.82
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C12CC[NH+](CC1)C2	REAL300006206352	0	38	0.0	-81.36	316.44	7.38	-73.98
CCC(C(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C)[NH+](C)C	REAL300006206355	0	39	0.0	-70.50	313.33	7.93	-62.57
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C12CC[N@H+](C1)CCC2	REAL300006206362	0	41	0.0	-80.16	326.85	8.04	-72.12
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300006206362	1	41	0.0	-80.09	327.24	8.11	-71.98
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[NH+]1C(C)CCC1C	REAL300006206391	0	43	0.0	-72.64	341.41	8.74	-63.90
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300006206392	0	43	0.0	-80.40	364.04	10.39	-70.01
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1([NH+](C)C)CCC1	REAL300006206417	0	40	0.0	-83.44	318.18	8.85	-74.59
C#CC[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)CC1	REAL300006206434	0	42	0.0	-84.17	354.44	9.65	-74.52
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006206435	0	46	0.0	-73.20	366.31	9.85	-63.35
CCC[N@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300006206435	1	46	0.0	-72.04	366.35	9.85	-62.19
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300006206436	0	43	0.0	-57.36	356.76	10.61	-46.75
CC[NH+]1CCN(CCC(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)CC1	REAL300006206437	0	48	0.0	-82.70	382.37	7.36	-75.34
CCN1CC[NH+](CCC(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)CC1	REAL300006206437	1	48	0.0	-79.61	383.54	7.50	-72.11
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)C(C)C	REAL300006206438	0	39	0.0	-72.90	319.33	8.05	-64.85
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)C(C)C	REAL300006206438	1	39	0.0	-73.70	320.30	8.09	-65.61
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C(C(C)C)[NH+]1CCCCC1	REAL300006206439	0	49	0.0	-72.43	375.70	10.66	-61.77
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300006206440	1	43	0.0	-73.61	359.58	10.32	-63.29
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCN1C=C[NH+]=C1C(C)C	REAL300006206445	1	44	0.0	-72.57	371.30	10.04	-62.53
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006206450	0	47	0.0	-79.57	361.88	9.99	-69.58
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006206450	1	47	0.0	-75.08	369.49	10.24	-64.84
CC[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C)C1CC1	REAL300006206452	0	40	0.0	-72.29	334.48	8.92	-63.37
CC[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(Br)=C1C)C1CC1	REAL300006206452	1	40	0.0	-72.48	329.47	8.66	-63.82
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C(C)[NH+]1CCCCCC1	REAL300006206465	0	46	0.0	-71.95	354.21	9.33	-62.62
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300006206468	1	37	0.0	-72.80	311.60	7.93	-64.87
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300006206468	1	37	0.0	-77.22	305.04	7.40	-69.82
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[NH2+]C(C)(C)C	REAL300006206511	0	39	0.0	-74.36	324.83	6.62	-67.74
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCCC1	REAL300006206512	0	46	0.0	-79.96	376.23	10.17	-69.79
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300006206514	1	43	0.0	-80.96	361.58	10.44	-70.52
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300006206514	1	43	0.0	-81.22	361.58	10.44	-70.78
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300006206521	0	42	0.0	-75.81	334.36	9.02	-66.79
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300006206544	1	39	0.0	-84.20	343.44	7.83	-76.37
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CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)COC1CC[NH+](C)CC1	REAL300006206567	0	44	0.0	-87.29	364.83	8.84	-78.45
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)C1	REAL300006206668	0	46	0.0	-76.40	368.43	9.85	-66.55
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)C1	REAL300006206668	1	46	0.0	-77.16	368.98	9.86	-67.30
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CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)N1	REAL300006206836	1	41	0.0	-73.31	356.11	8.17	-65.14
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300006207189	0	40	0.0	-80.45	334.51	8.56	-71.89
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300006207193	0	46	0.0	-67.03	357.50	9.55	-57.48
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(C(=O)[O-])=CC(Br)=C3C)=CN12	REAL300006207195	0	38	0.0	-75.38	336.48	10.13	-65.25
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CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300006207245	0	49	0.0	-81.32	374.93	9.96	-71.36
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300006207245	1	49	0.0	-81.65	375.92	10.01	-71.64
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006207248	1	42	0.0	-77.06	342.95	9.51	-67.55
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006207248	1	42	0.0	-80.17	342.02	9.84	-70.33
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(CO)C2=CC=CC(F)=C2)C1	REAL300006207322	0	47	0.0	-49.02	362.63	6.08	-42.94
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CC1(C(=O)[O-])CCCCC1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006208456	0	56	0.0	-68.55	406.60	10.91	-57.64
CC1(C(=O)[O-])CCCCC1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006209791	0	50	0.0	-61.58	359.65	8.79	-52.79
CC1=[NH+]C=C2CCC(C(=O)NC3CCCCC3(C)C(=O)[O-])CN21	REAL300006209814	1	48	0.0	-56.23	351.65	8.95	-47.28
CC1=NC(C[NH+]2CCC(C(=O)NC3CCCCC3(C)C(=O)[O-])CC2)=CS1	REAL300006209875	1	55	0.0	-65.55	413.92	8.97	-56.58
CC(C(=O)NC1CCCCC1(C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006209876	1	51	0.0	-64.27	356.09	6.36	-57.91
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2CCCCC2(C)C(=O)[O-])C=C1	REAL300006209947	0	59	0.0	-73.04	438.28	11.09	-61.95
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CCCCC2(C)C(=O)[O-])=C1	REAL300006209952	0	59	0.0	-76.95	441.30	12.84	-64.11
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CCCCC2(C)C(=O)[O-])=C1	REAL300006209952	1	59	0.0	-76.80	440.60	12.82	-63.98
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006210004	0	41	0.0	-66.55	315.96	9.25	-57.30
C[NH+](C)CC1(C(=O)NC2CCCCC2(C)C(=O)[O-])CCCCC1	REAL300006210029	0	55	0.0	-67.43	358.67	9.65	-57.78
C[N@H+](CCC(=O)NC1CCCCC1(C)C(=O)[O-])C1CCCCC1	REAL300006210032	0	55	0.0	-59.68	382.63	9.94	-49.74
C[N@@H+](CCC(=O)NC1CCCCC1(C)C(=O)[O-])C1CCCCC1	REAL300006210032	1	55	0.0	-58.67	382.63	9.93	-48.74
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006210093	0	49	0.0	-74.87	373.83	8.68	-66.19
CC1(C(=O)[O-])CCCCC1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006210109	0	57	0.0	-67.08	394.57	8.80	-58.28
CC1=[NH+]C=CN1CCCC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210137	1	47	0.0	-60.03	355.19	9.25	-50.78
CC1(C(=O)[O-])CCCCC1NC(=O)CCCC[NH+]1CCOCC1	REAL300006210138	1	53	0.0	-68.91	382.87	7.63	-61.28
CC[N@H+](CC1=CC=C(C(=O)NC2CCCCC2(C)C(=O)[O-])C=C1)C(C)C	REAL300006210139	0	58	0.0	-70.23	410.91	11.47	-58.76
CC[N@@H+](CC1=CC=C(C(=O)NC2CCCCC2(C)C(=O)[O-])C=C1)C(C)C	REAL300006210139	1	58	0.0	-74.90	401.92	10.83	-64.07
CC1(C(=O)[O-])CCCCC1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006210157	0	53	0.0	-60.78	388.68	10.67	-50.11
CC1(C(=O)[O-])CCCCC1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006210157	1	53	0.0	-61.41	390.41	10.56	-50.85
CC1(C(=O)[O-])CCCCC1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006210158	0	54	0.0	-72.11	389.60	9.62	-62.49
CC1(C(=O)[O-])CCCCC1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006210186	0	57	0.0	-61.99	382.53	7.57	-54.42
CC(C(=O)NC1CCCCC1(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006210191	0	52	0.0	-52.59	380.70	9.72	-42.87
CC(C(=O)NC1CCCCC1(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006210191	1	52	0.0	-55.72	379.10	10.37	-45.35
CC1(C(=O)[O-])CCCCC1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006210199	0	59	0.0	-64.34	426.49	12.57	-51.77
CC1(C(=O)[O-])CCCCC1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006210199	1	59	0.0	-51.95	421.01	12.46	-39.49
C[NH+](C)CC1=CC=C(C(=O)NC2CCCCC2(C)C(=O)[O-])C=N1	REAL300006210215	0	48	0.0	-74.53	359.73	7.75	-66.78
CCC[NH+](CCC)CCCC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210222	0	57	0.0	-63.39	402.69	9.95	-53.44
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210229	1	47	0.0	-51.77	349.97	9.09	-42.68
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006210242	0	53	0.0	-73.57	387.18	11.01	-62.56
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006210247	0	56	0.0	-70.35	405.51	11.08	-59.27
CCN1CCC([NH+]2CCC(C(=O)NC3CCCCC3(C)C(=O)[O-])CC2)CC1	REAL300006210253	0	64	0.0	-63.77	440.64	8.68	-55.09
CC1C[NH+](CC2=CC=C(C(=O)NC3CCCCC3(C)C(=O)[O-])C=C2)CC(C)O1	REAL300006210260	1	60	0.0	-76.33	437.25	10.74	-65.59
CC1(C(=O)[O-])CCCCC1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006210271	1	57	0.0	-70.75	411.78	10.82	-59.93
CC1(C(=O)[O-])CCCCC1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006210271	1	57	0.0	-72.92	418.94	10.56	-62.36
CC1=C(C(=O)NC2CCCCC2(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006210287	1	47	0.0	-77.64	361.55	7.62	-70.02
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006210290	0	56	0.0	-73.99	403.92	11.72	-62.27
CC1(C(=O)[O-])CCCCC1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006210301	1	49	0.0	-76.44	369.20	7.83	-68.61
C[NH+](C)CCC1=CC=C(C(=O)NC2CCCCC2(C)C(=O)[O-])C=C1	REAL300006210302	0	52	0.0	-80.48	385.24	10.37	-70.11
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210307	1	45	0.0	-51.01	332.13	7.60	-43.41
CC1(C(=O)[O-])CCCCC1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006210308	1	54	0.0	-48.10	392.75	9.60	-38.50
CC1(C(=O)[O-])CCCCC1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006210308	1	54	0.0	-45.40	391.05	10.08	-35.32
CC(C(=O)NC1CCCCC1(C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006210318	0	62	0.0	-53.93	442.80	12.51	-41.42
CC(C(=O)NC1CCCCC1(C)C(=O)[O-])[NH+]1CCSCC1	REAL300006210347	1	47	0.0	-52.84	339.98	7.88	-44.96
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210354	0	52	0.0	-55.41	381.98	10.97	-44.44
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210354	1	52	0.0	-58.05	384.94	10.17	-47.88
COCCOCC[N@H+](C)CCC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210355	0	56	0.0	-60.69	412.38	6.96	-53.73
COCCOCC[N@@H+](C)CCC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210355	1	56	0.0	-63.43	412.79	6.66	-56.77
C[N@@H+]1CCCC(O)(CC(=O)NC2CCCCC2(C)C(=O)[O-])C1	REAL300006210358	0	50	0.0	-60.81	351.48	6.65	-54.16
C[N@H+]1CCCC(O)(CC(=O)NC2CCCCC2(C)C(=O)[O-])C1	REAL300006210358	1	50	0.0	-62.51	341.96	6.59	-55.92
CC1(C(=O)[O-])CCCCC1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006210365	0	61	0.0	-68.29	438.90	10.17	-58.12
CCCCCC[N@H+](C)CC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210367	0	54	0.0	-55.88	389.52	9.48	-46.40
CCCCCC[N@@H+](C)CC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210367	1	54	0.0	-54.10	387.94	10.10	-44.00
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006210377	1	41	0.0	-71.14	316.87	9.29	-61.85
C[N@H+](CC(=O)NC1CCCCC1(C)C(=O)[O-])C1CCSC1	REAL300006210393	0	47	0.0	-55.03	343.71	8.58	-46.45
C[N@@H+](CC(=O)NC1CCCCC1(C)C(=O)[O-])C1CCSC1	REAL300006210393	1	47	0.0	-57.42	343.31	8.47	-48.95
CC(C)[NH+]1CCN(CCC(=O)NC2CCCCC2(C)C(=O)[O-])CC1	REAL300006210406	0	57	0.0	-67.35	401.15	6.89	-60.46
CC(C)N1CC[NH+](CCC(=O)NC2CCCCC2(C)C(=O)[O-])CC1	REAL300006210406	1	57	0.0	-60.26	399.34	7.19	-53.07
CC(C)[NH+]1CCN(CCCC(=O)NC2CCCCC2(C)C(=O)[O-])CC1	REAL300006210407	0	60	0.0	-67.47	416.35	7.64	-59.83
CC(C)N1CC[NH+](CCCC(=O)NC2CCCCC2(C)C(=O)[O-])CC1	REAL300006210407	1	60	0.0	-63.79	417.95	7.80	-55.99
CC1(C(=O)[O-])CCCCC1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006210408	0	50	0.0	-51.79	335.63	8.95	-42.84
CC1(C(=O)[O-])CCCCC1NC(=O)C1CCCC2CCC[N@H+]21	REAL300006210408	1	50	0.0	-49.62	350.13	8.56	-41.06
C[NH+](C)CCN1C=C(C(=O)NC2CCCCC2(C)C(=O)[O-])C=N1	REAL300006210410	0	49	0.0	-76.05	370.76	7.25	-68.80
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3CCCCC3(C)C(=O)[O-])CC2)=C1	REAL300006210413	0	61	0.0	-62.93	439.61	10.05	-52.88
CC1(C(=O)[O-])CCCCC1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006210415	0	58	0.0	-63.90	417.41	9.36	-54.54
CC1(C(=O)[O-])CCCCC1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006210417	0	55	0.0	-58.69	393.79	9.76	-48.93
CC1(C(=O)[O-])CCCCC1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006210417	1	55	0.0	-58.87	393.93	9.89	-48.98
CC(C(=O)NC1CCCCC1(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006210422	1	53	0.0	-50.90	383.10	10.39	-40.51
CC(C(=O)NC1CCCCC1(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006210422	1	53	0.0	-52.64	379.08	10.78	-41.86
CC1(C(=O)[O-])CCCCC1NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006210445	0	56	0.0	-65.53	405.43	11.69	-53.84
CC1(C(=O)[O-])CCCCC1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006210445	1	56	0.0	-66.62	409.34	11.46	-55.16
C[NH+](C)CCN1C=CC(C(=O)NC2CCCCC2(C)C(=O)[O-])=N1	REAL300006210458	0	49	0.0	-80.61	368.89	7.88	-72.73
C[NH+](C)CCN1N=CC=C1C(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210459	0	49	0.0	-54.78	362.62	7.98	-46.80
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210460	1	50	0.0	-56.48	370.56	9.23	-47.25
CC1(C(=O)[O-])CCCCC1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006210473	0	56	0.0	-63.69	411.77	11.60	-52.09
CC1(C(=O)[O-])CCCCC1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006210473	1	56	0.0	-61.21	411.54	11.46	-49.75
CC(C[NH+]1CCOCC1)C(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210477	0	50	0.0	-62.62	357.10	6.45	-56.17
CC1(C(=O)[O-])CCCCC1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006210478	0	57	0.0	-63.88	415.16	8.78	-55.10
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2CCCCC2(C)C(=O)[O-])CC1	REAL300006210521	1	56	0.0	-66.92	408.05	9.40	-57.52
CC1(C(=O)[O-])CCCCC1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006210522	0	56	0.0	-59.58	389.71	10.29	-49.29
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CC1(C(=O)[O-])CCCCC1NC(=O)C1CCC2CCCC[N@H+]21	REAL300006210538	1	50	0.0	-48.73	351.99	8.96	-39.77
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CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006210650	0	60	0.0	-75.96	435.60	9.02	-66.94
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CC1(C(=O)[O-])CCCCC1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006210655	0	56	0.0	-59.51	403.99	11.71	-47.80
CC1(C(=O)[O-])CCCCC1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006210655	1	56	0.0	-58.76	405.12	11.39	-47.37
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CC[NH+]1CCN(CCC(=O)NC2CCCCC2(C)C(=O)[O-])CC1	REAL300006210705	0	54	0.0	-64.27	381.45	7.18	-57.09
CCN1CC[NH+](CCC(=O)NC2CCCCC2(C)C(=O)[O-])CC1	REAL300006210705	1	54	0.0	-60.03	383.22	6.68	-53.35
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210712	1	50	0.0	-55.89	370.01	9.18	-46.71
CC(C(=O)NC1CCCCC1(C)C(=O)[O-])[NH+]1CCCCCC1	REAL300006210740	0	52	0.0	-50.74	353.59	8.48	-42.26
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCCCC3(C)C(=O)[O-])=CC=C1N2	REAL300006210771	1	54	0.0	-80.13	398.75	9.67	-70.46
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CC[NH+](CC)CC1=CC=C(C(=O)NC2CCCCC2(C)C(=O)[O-])O1	REAL300006210815	0	52	0.0	-70.37	385.63	8.92	-61.45
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CC1=CC=C(N2CCC(C(=O)NC3CCCCC3(C)C(=O)[O-])CC2)[NH+]=C1	REAL300006210818	1	55	0.0	-65.08	399.82	8.81	-56.27
C[N@H+](CC(=O)NC1CCCCC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300006210819	1	49	0.0	-55.37	360.88	9.94	-45.43
C[N@@H+](CC(=O)NC1CCCCC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300006210819	1	49	0.0	-55.86	360.93	9.94	-45.92
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3CCCCC3(C)C(=O)[O-])C=C2)CC1	REAL300006210823	0	61	0.0	-76.48	430.20	10.08	-66.40
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006210835	1	44	0.0	-75.31	345.09	7.16	-68.15
C[NH+](C)CC1=CC(C(=O)NC2CCCCC2(C)C(=O)[O-])=NO1	REAL300006210857	1	45	0.0	-75.83	343.32	7.04	-68.79
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210862	0	56	0.0	-61.51	401.38	11.00	-50.51
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300006210862	1	56	0.0	-67.23	410.04	11.14	-56.09
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CCCCC2(C)C(=O)[O-])C=C1	REAL300006210885	0	57	0.0	-77.73	427.09	10.52	-67.21
C[NH+]1CCC(OCC(=O)NC2CCCCC2(C)C(=O)[O-])CC1	REAL300006210897	0	50	0.0	-73.49	365.74	7.82	-65.67
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006210903	0	53	0.0	-71.57	390.88	9.33	-62.24
CCC[N@@H+]1CCCC(C(=O)NC2CCCCC2(C)C(=O)[O-])C1	REAL300006211041	0	52	0.0	-49.85	359.88	9.73	-40.12
CCC[N@H+]1CCCC(C(=O)NC2CCCCC2(C)C(=O)[O-])C1	REAL300006211041	1	52	0.0	-60.31	367.78	9.23	-51.08
CC1(C(=O)[O-])CCCCC1NC(=O)C[NH+]1CCC(CO)CC1	REAL300006211070	1	50	0.0	-54.78	358.02	5.21	-49.57
CC(C)[N@@H+]1CCCC(C(=O)NC2CCCCC2(C)C(=O)[O-])C1	REAL300006211240	0	52	0.0	-55.94	358.44	8.74	-47.20
CC(C)[N@H+]1CCCC(C(=O)NC2CCCCC2(C)C(=O)[O-])C1	REAL300006211240	1	52	0.0	-57.94	361.71	9.30	-48.64
C[N@@H+]1CC(C(=O)NC2CCCCC2(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300006211241	0	46	0.0	-73.48	348.16	8.09	-65.39
C[N@H+]1CC(C(=O)NC2CCCCC2(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300006211241	1	46	0.0	-70.29	335.12	7.60	-62.69
CC1=C(C)[NH+]=C(CCC(=O)NC2CCCCC2(C)C(=O)[O-])N1	REAL300006211264	1	47	0.0	-55.17	354.45	7.63	-47.54
C[NH+](C)CCC1=CC=CC(C(=O)NC2CCCCC2(C)C(=O)[O-])=C1	REAL300006211646	0	52	0.0	-74.55	386.43	10.06	-64.49
C[NH+](C)CCOC1=CC=C(C(=O)NC2CCCCC2(C)C(=O)[O-])C=C1	REAL300006211653	0	53	0.0	-74.66	392.16	9.65	-65.01
CC1(C(=O)[O-])CCCCC1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006211736	0	59	0.0	-66.67	424.32	11.96	-54.71
CC1C[N@H+](CC2=CC=C(C(=O)NC3CCCCC3(C)C(=O)[O-])C=C2)CCO1	REAL300006211738	1	57	0.0	-75.66	416.26	9.91	-65.75
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CCCCC3(C)C(=O)[O-])C=C2)CCO1	REAL300006211738	1	57	0.0	-75.80	409.71	10.03	-65.77
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCCCC2(C)C(=O)[O-])CC1	REAL300006211764	0	52	0.0	-68.07	357.71	8.73	-59.34
CC1=[NH+]C=C2C=CC(C(=O)NC3CCCCC3(C)C(=O)[O-])=CN21	REAL300006211769	0	44	0.0	-62.33	337.37	9.03	-53.30
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCCCC2(C)C(=O)[O-])C1	REAL300006211817	0	55	0.0	-56.07	379.53	9.94	-46.13
CC(C)C[N@H+]1CCCC(C(=O)NC2CCCCC2(C)C(=O)[O-])C1	REAL300006211817	1	55	0.0	-59.02	385.18	9.92	-49.10
C[NH+](C)CC1=CC=C(C(=O)NC2CCCCC2(C)C(=O)[O-])O1	REAL300006211823	1	46	0.0	-72.47	348.70	7.85	-64.62
CC1(C(=O)[O-])CCCCC1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006211831	0	48	0.0	-58.38	349.32	8.65	-49.73
CC1(C(=O)[O-])CCCCC1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006211831	1	48	0.0	-59.63	336.55	9.04	-50.59
CCCN(CC1=CC=C(F)C=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006211912	0	49	0.0	-47.88	383.53	11.30	-36.58
CCCN(CC1=CC=C(F)C=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006211912	1	49	0.0	-48.24	375.81	11.28	-36.96
CC(CCC1=CC=NC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006212022	0	48	0.0	-52.28	373.69	8.19	-44.09
CC(CCC1=CC=NC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006212022	1	48	0.0	-51.18	368.19	8.22	-42.96
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006213081	0	50	0.0	-92.47	391.99	11.59	-80.88
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006214367	0	44	0.0	-86.97	340.34	9.22	-77.75
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(F)=C(C(=O)[O-])C=C3C)CN12	REAL300006214392	1	42	0.0	-77.96	339.04	9.09	-68.87
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC(F)=C(C(=O)[O-])C=C3C)CC2)=CS1	REAL300006214454	1	49	0.0	-88.44	399.48	9.65	-78.79
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300006214455	1	45	0.0	-81.74	342.37	6.17	-75.57
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300006214524	0	53	0.0	-86.97	425.23	11.12	-75.85
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300006214607	0	49	0.0	-87.77	369.58	9.95	-77.82
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300006214607	1	49	0.0	-87.94	369.58	9.94	-78.00
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006214667	0	43	0.0	-89.44	360.23	9.01	-80.43
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006214682	0	51	0.0	-78.16	376.62	8.50	-69.66
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300006214709	1	41	0.0	-81.36	342.12	9.27	-72.09
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300006214710	1	47	0.0	-88.20	369.43	7.97	-80.23
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C1)C(C)C	REAL300006214711	0	52	0.0	-90.48	389.58	11.12	-79.36
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C1)C(C)C	REAL300006214711	1	52	0.0	-88.53	389.06	11.05	-77.48
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006214730	0	47	0.0	-88.01	374.62	10.75	-77.26
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006214730	1	47	0.0	-87.81	374.77	10.78	-77.03
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006214731	0	48	0.0	-94.24	370.71	9.99	-84.25
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006214758	0	51	0.0	-88.54	368.44	8.31	-80.23
CCC(C(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C)[NH+](CC)CC	REAL300006214762	0	45	0.0	-76.97	335.68	8.78	-68.19
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300006214764	0	46	0.0	-85.88	366.43	10.37	-75.51
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300006214764	1	46	0.0	-85.14	363.96	10.47	-74.67
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006214772	0	53	0.0	-88.99	415.61	12.44	-76.55
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006214772	1	53	0.0	-80.88	408.84	12.61	-68.27
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300006214786	0	42	0.0	-88.61	345.11	7.99	-80.62
CCC[NH+](CCC)CCCC(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300006214793	0	51	0.0	-85.51	389.31	10.30	-75.21
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CN1C=C[NH+]=C1C(C)C	REAL300006214801	1	41	0.0	-79.33	336.81	9.09	-70.24
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CCN1CCC([NH+]2CCC(C(=O)NC3=CC(F)=C(C(=O)[O-])C=C3C)CC2)CC1	REAL300006214825	0	58	0.0	-89.42	425.24	9.17	-80.25
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CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006214878	1	48	0.0	-97.96	384.89	10.28	-87.68
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006214887	0	56	0.0	-85.10	429.22	12.83	-72.27
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COCCOCC[N@@H+](C)CCC(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300006214928	1	50	0.0	-87.97	399.33	6.99	-80.98
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CCCCCC[N@H+](C)CC(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300006214941	0	48	0.0	-87.01	374.89	10.14	-76.87
CCCCCC[N@@H+](C)CC(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300006214941	1	48	0.0	-87.02	374.88	10.13	-76.89
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006214955	1	35	0.0	-89.60	301.59	9.88	-79.72
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C[N@@H+](C)C1CCSC1	REAL300006214970	1	41	0.0	-90.55	330.64	8.60	-81.95
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C[N@H+](C)C1CCSC1	REAL300006214970	1	41	0.0	-89.91	330.43	8.62	-81.29
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCN1CC[NH+](C(C)C)CC1	REAL300006214981	0	51	0.0	-83.64	386.51	7.54	-76.10
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300006214981	1	51	0.0	-87.53	383.00	7.33	-80.20
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300006214982	0	54	0.0	-80.76	408.02	8.34	-72.42
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300006214982	1	54	0.0	-86.46	404.32	8.13	-78.33
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006214983	0	44	0.0	-81.81	327.54	8.90	-72.91
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCCC2CCC[N@H+]21	REAL300006214983	1	44	0.0	-76.60	336.28	9.19	-67.41
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300006214985	0	43	0.0	-90.35	355.45	7.84	-82.51
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CC(F)=C(C(=O)[O-])C=C3C)CC2)=C1	REAL300006214988	0	55	0.0	-92.01	425.34	10.37	-81.64
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006214989	0	52	0.0	-91.94	403.93	9.70	-82.24
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006214990	0	49	0.0	-88.60	380.76	9.97	-78.63
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006214990	1	49	0.0	-84.74	381.14	9.88	-74.86
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006214995	1	47	0.0	-84.80	366.89	10.87	-73.93
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300006214995	1	47	0.0	-85.48	370.06	10.74	-74.74
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006215014	0	50	0.0	-89.81	394.06	11.53	-78.28
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006215014	1	50	0.0	-91.13	396.73	11.58	-79.55
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300006215028	0	43	0.0	-94.46	355.85	7.87	-86.59
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300006215029	0	43	0.0	-87.27	341.02	8.26	-79.01
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300006215030	1	44	0.0	-79.05	357.12	9.56	-69.49
CC[C@@H]1[C@@H](C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)CC[N@@H+]1C	REAL300006215033	0	43	0.0	-86.14	328.84	8.06	-78.08
CC[C@@H]1[C@@H](C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)CC[N@H+]1C	REAL300006215033	1	43	0.0	-86.09	333.35	8.32	-77.77
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300006215036	1	44	0.0	-88.42	356.93	7.41	-81.01
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300006215036	1	44	0.0	-85.81	352.52	6.96	-78.85
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300006215043	1	41	0.0	-96.11	322.62	7.43	-88.68
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300006215043	1	41	0.0	-98.18	322.16	7.02	-91.16
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006215047	0	50	0.0	-88.96	392.23	11.79	-77.17
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006215047	1	50	0.0	-83.58	393.22	11.85	-71.73
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C(C)C[NH+]1CCOCC1	REAL300006215052	1	44	0.0	-86.77	342.74	7.08	-79.69
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006215053	0	51	0.0	-92.03	401.69	9.12	-82.91
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C[NH+]1CCC(C)CC1	REAL300006215063	1	43	0.0	-86.45	333.72	8.86	-77.59
CC[N@@H+]1CCOC(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C1	REAL300006215076	1	41	0.0	-87.17	320.51	7.23	-79.94
CC[N@H+]1CCOC(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C1	REAL300006215076	1	41	0.0	-84.69	319.60	7.19	-77.50
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1	REAL300006215107	1	50	0.0	-91.96	392.74	9.92	-82.04
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCC1CCC[N@H+]1C	REAL300006215113	0	43	0.0	-88.71	338.54	8.86	-79.85
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCC1CCC[N@@H+]1C	REAL300006215113	1	43	0.0	-83.36	332.90	8.40	-74.96
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006215125	0	44	0.0	-78.53	338.91	9.32	-69.21
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC2CCCC[N@H+]21	REAL300006215125	1	44	0.0	-78.83	338.67	9.25	-69.58
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300006215139	0	52	0.0	-85.34	407.93	9.26	-76.08
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300006215140	0	52	0.0	-87.25	407.93	9.29	-77.96
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300006215140	1	52	0.0	-92.75	407.39	9.15	-83.60
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C[NH+]1C(C)CCC1C	REAL300006215256	0	43	0.0	-82.05	328.23	8.37	-73.68
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300006215257	0	43	0.0	-85.28	349.31	9.84	-75.44
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006215258	0	50	0.0	-82.28	387.25	11.79	-70.49
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006215258	1	50	0.0	-84.43	392.04	11.54	-72.89
C#CC[NH+]1CCC(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)CC1	REAL300006215308	0	42	0.0	-90.11	340.16	9.17	-80.94
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCN1C=C[NH+]=C1C(C)C	REAL300006215316	1	44	0.0	-78.51	356.57	9.51	-69.00
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C(C)[NH+]1CCCCCC1	REAL300006215346	0	46	0.0	-79.93	339.97	8.83	-71.10
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300006215379	1	48	0.0	-88.20	384.34	10.27	-77.93
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300006215379	1	48	0.0	-88.28	384.32	10.26	-78.02
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)O1	REAL300006215422	0	46	0.0	-88.16	366.87	9.25	-78.91
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCCC[NH+]1CCCC1	REAL300006215423	0	46	0.0	-84.76	362.50	9.67	-75.09
CC1=CC=C(N2CCC(C(=O)NC3=CC(F)=C(C(=O)[O-])C=C3C)CC2)[NH+]=C1	REAL300006215425	1	49	0.0	-82.92	385.48	9.43	-73.49
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300006215426	1	43	0.0	-90.84	347.81	9.96	-80.88
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300006215426	1	43	0.0	-90.94	347.86	9.97	-80.97
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300006215430	0	55	0.0	-89.70	417.32	10.22	-79.48
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300006215470	1	39	0.0	-88.28	329.23	7.32	-80.96
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300006215474	0	50	0.0	-88.57	393.48	11.46	-77.11
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300006215474	1	50	0.0	-91.19	395.39	11.49	-79.70
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@H+]1C(C)C	REAL300006215492	0	43	0.0	-82.47	323.35	8.37	-74.10
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@@H+]1C(C)C	REAL300006215492	1	43	0.0	-78.48	329.50	8.40	-70.08
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300006215499	0	51	0.0	-90.02	413.63	10.82	-79.20
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)COC1CC[NH+](C)CC1	REAL300006215514	0	44	0.0	-90.00	351.11	8.36	-81.64
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006215519	0	47	0.0	-89.10	376.22	9.94	-79.16
CCC[N@@H+]1CCCC(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C1	REAL300006215664	0	46	0.0	-83.64	356.17	9.42	-74.22
CCC[N@H+]1CCCC(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C1	REAL300006215664	1	46	0.0	-77.77	348.44	9.57	-68.20
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C[NH+]1CCC(CO)CC1	REAL300006215692	1	44	0.0	-89.37	344.56	5.54	-83.83
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300006215867	0	46	0.0	-81.95	349.84	9.14	-72.81
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300006215867	1	46	0.0	-82.16	350.35	9.16	-73.00
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300006215868	0	40	0.0	-88.84	334.67	8.16	-80.68
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300006215868	1	40	0.0	-90.32	329.32	7.89	-82.43
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)N1	REAL300006215889	1	41	0.0	-79.88	341.40	7.66	-72.22
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300006216278	0	46	0.0	-85.63	371.80	10.68	-74.95
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300006216285	0	47	0.0	-91.05	378.94	9.64	-81.41
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006216377	0	53	0.0	-85.94	410.86	12.30	-73.64
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300006216379	1	51	0.0	-93.78	396.66	10.03	-83.75
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300006216379	1	51	0.0	-93.88	396.74	10.04	-83.84
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300006216408	0	46	0.0	-77.80	344.27	9.08	-68.72
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(F)=C(C(=O)[O-])C=C3C)=CN12	REAL300006216412	0	38	0.0	-80.17	322.74	9.65	-70.52
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300006216460	0	49	0.0	-78.78	363.28	10.26	-68.52
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300006216460	1	49	0.0	-78.39	365.88	10.25	-68.14
CC[N@@H+]1CCCC(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C1	REAL300006216461	0	43	0.0	-82.95	333.16	8.62	-74.33
CC[N@H+]1CCCC(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C1	REAL300006216461	1	43	0.0	-76.86	328.38	8.89	-67.97
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300006216467	1	40	0.0	-90.28	334.63	8.06	-82.22
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006216475	1	42	0.0	-81.78	322.95	8.70	-73.08
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006216475	1	42	0.0	-84.42	328.28	9.33	-75.09
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(OC3CC3)=CC=N2)C1	REAL300006216537	1	44	0.0	-53.79	341.48	7.98	-45.81
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(OC3CC3)=CC=N2)C1	REAL300006216537	1	44	0.0	-52.95	346.96	7.95	-45.00
O=C([O-])C1CCC[N@H+](CC(=O)N2CCO[C@H]3COC[C@H]3C2)C1	REAL300006216650	0	46	0.0	-45.06	317.72	5.18	-39.88
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCO[C@H]3COC[C@H]3C2)C1	REAL300006216650	1	46	0.0	-45.39	319.44	5.24	-40.15
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)C1	REAL300006216757	0	54	0.0	-47.36	399.60	10.66	-36.70
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)C1	REAL300006216757	1	54	0.0	-50.73	407.89	11.09	-39.64
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(O)(C3=CC=CC(F)=C3)C2)C1	REAL300006216878	0	48	0.0	-49.81	371.35	7.09	-42.72
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(O)(C3=CC=CC(F)=C3)C2)C1	REAL300006216878	1	48	0.0	-46.58	364.61	6.63	-39.95
CC1=CC=C(C2(O)CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300006217008	0	51	0.0	-49.28	385.82	7.67	-41.61
CC1=CC=C(C2(O)CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300006217008	1	51	0.0	-45.58	379.78	7.24	-38.34
O=C([O-])CCOCCNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006218323	0	50	0.0	-69.83	392.21	8.01	-61.82
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CC1CC[NH+](CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006225326	0	52	0.0	-59.10	379.52	9.65	-49.45
CC[N@@H+]1CCOC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006225339	1	50	0.0	-51.85	364.61	8.11	-43.74
CC[N@H+]1CCOC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006225339	1	50	0.0	-69.91	371.97	8.19	-61.72
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006225370	1	59	0.0	-76.46	438.57	10.65	-65.81
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006225371	0	59	0.0	-64.13	422.52	11.09	-53.04
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006225371	1	59	0.0	-62.32	422.37	11.00	-51.32
C[N@@H+]1CCCC1CCC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300006225377	0	52	0.0	-68.07	384.19	9.59	-58.48
C[N@H+]1CCCC1CCC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300006225377	1	52	0.0	-66.51	378.21	9.19	-57.32
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006225389	0	53	0.0	-56.92	384.62	10.04	-46.88
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300006225389	1	53	0.0	-60.28	377.48	9.56	-50.72
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])=C2)CC1	REAL300006225403	0	61	0.0	-75.53	453.33	10.06	-65.47
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])C=C2)CC1	REAL300006225404	0	61	0.0	-82.05	453.53	10.01	-72.04
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])C=C2)CC1	REAL300006225404	1	61	0.0	-83.68	453.01	9.89	-73.79
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300006225405	0	62	0.0	-81.55	459.61	11.83	-69.72
CC(C)[NH+]1CCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006225413	0	55	0.0	-71.83	395.66	9.94	-61.89
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300006225486	0	50	0.0	-71.15	358.35	8.30	-62.85
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300006225486	1	50	0.0	-77.48	358.57	8.38	-69.10
CC1CCC(C)[NH+]1CC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300006225526	0	52	0.0	-56.84	373.96	9.11	-47.73
C[NH+](C)CC1=CC=CC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300006225527	0	52	0.0	-76.12	394.67	10.62	-65.50
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006225528	0	59	0.0	-64.60	437.91	12.28	-52.32
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006225528	1	59	0.0	-62.05	431.60	12.48	-49.57
C#CC[NH+]1CCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006225579	0	51	0.0	-74.42	386.01	9.90	-64.52
CC[NH+]1CCN(CCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006225581	0	57	0.0	-73.58	414.90	7.71	-65.87
CCN1CC[NH+](CCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006225581	1	57	0.0	-64.83	415.12	7.79	-57.04
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300006225588	1	53	0.0	-60.83	402.21	10.25	-50.58
CC(C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006225619	0	55	0.0	-56.67	386.54	9.58	-47.09
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])=CC=C1N2	REAL300006225653	1	57	0.0	-82.05	429.97	10.98	-71.07
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])=CC=C1N2	REAL300006225653	1	57	0.0	-81.39	429.71	11.06	-70.33
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])O1	REAL300006225695	0	55	0.0	-77.46	412.59	9.99	-67.47
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)CCCC[NH+]1CCCC1	REAL300006225696	0	55	0.0	-71.54	408.10	10.40	-61.14
CC1=CC=C(N2CCC(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])CC2)[NH+]=C1	REAL300006225698	1	58	0.0	-71.10	430.59	10.23	-60.87
C[N@H+](CC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300006225699	1	52	0.0	-62.46	393.17	10.73	-51.73
C[N@@H+](CC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300006225699	1	52	0.0	-62.12	393.22	10.75	-51.37
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006225718	1	47	0.0	-77.49	375.83	8.60	-68.89
C[NH+](C)CC1=CC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=NO1	REAL300006225741	1	48	0.0	-79.85	374.85	8.07	-71.78
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300006225745	0	59	0.0	-75.42	441.29	12.20	-63.22
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300006225745	1	59	0.0	-70.54	440.19	12.13	-58.41
CC(C)[N@@H+]1CCCC1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300006225761	0	52	0.0	-54.76	377.14	9.18	-45.58
CC(C)[N@H+]1CCCC1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300006225761	1	52	0.0	-62.67	360.66	9.31	-53.36
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300006225768	0	60	0.0	-83.10	459.27	11.55	-71.55
C[NH+]1CCC(OCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006225782	0	53	0.0	-77.99	396.49	9.25	-68.74
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006225787	0	56	0.0	-77.13	421.59	10.74	-66.39
CCC[N@@H+]1CCCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006225936	0	55	0.0	-58.34	394.04	10.38	-47.96
CCC[N@H+]1CCCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006225936	1	55	0.0	-64.21	400.28	10.17	-54.04
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006225964	1	53	0.0	-59.90	390.18	6.38	-53.52
CC(C)[N@@H+]1CCCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006226147	0	55	0.0	-58.31	389.20	10.15	-48.16
CC(C)[N@H+]1CCCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006226147	1	55	0.0	-55.65	389.44	10.08	-45.57
C[N@@H+]1CC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006226148	0	49	0.0	-73.51	369.90	8.78	-64.73
C[N@H+]1CC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006226148	1	49	0.0	-80.70	364.25	8.99	-71.71
CC1=C(C)[NH+]=C(CCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])N1	REAL300006226170	1	50	0.0	-61.41	386.99	8.36	-53.05
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300006226562	0	55	0.0	-79.09	417.40	11.41	-67.68
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300006226570	0	56	0.0	-83.29	424.58	10.42	-72.87
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006226664	0	62	0.0	-72.20	456.56	13.03	-59.17
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])C=C2)CCO1	REAL300006226666	1	60	0.0	-84.84	442.31	10.74	-74.10
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])C=C2)CCO1	REAL300006226666	1	60	0.0	-84.54	442.11	10.81	-73.73
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006226697	0	55	0.0	-70.91	388.85	9.85	-61.06
CC1=[NH+]C=C2C=CC(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])=CN21	REAL300006226701	0	47	0.0	-65.59	368.14	10.45	-55.14
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006226750	0	58	0.0	-60.03	408.71	11.07	-48.96
CC(C)C[N@H+]1CCCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006226750	1	58	0.0	-56.06	410.77	11.05	-45.01
CC[N@@H+]1CCCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006226751	0	52	0.0	-66.33	379.06	9.36	-56.97
CC[N@H+]1CCCC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006226751	1	52	0.0	-55.01	371.85	9.62	-45.39
C[NH+](C)CC1=CC=C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])O1	REAL300006226757	1	49	0.0	-79.72	381.04	8.96	-70.76
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006226765	0	51	0.0	-63.84	370.09	9.34	-54.50
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006226765	1	51	0.0	-64.06	379.06	9.43	-54.63
C[NH+](C)CC(=O)NC(CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300006226856	0	36	0.0	-59.41	322.58	8.01	-51.40
C[C@@H](C(=O)NC(CC1=CC=C(I)C=C1)C(=O)[O-])[NH+](C)C	REAL300006226872	0	39	0.0	-55.35	340.50	8.46	-46.89
C[C@H](C(=O)NC(CC1=CC=C(I)C=C1)C(=O)[O-])[NH+](C)C	REAL300006226874	0	39	0.0	-59.46	340.77	8.42	-51.04
COC1=CC=CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006226960	0	44	0.0	-47.13	335.32	7.85	-39.28
COC1=CC=CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006226960	1	44	0.0	-51.27	336.14	8.32	-42.95
CC(C(=O)[O-])C1CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006228047	0	53	0.0	-85.64	387.66	11.74	-73.90
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3C(C)C(=O)[O-])CN12	REAL300006229335	1	45	0.0	-56.26	333.01	9.01	-47.25
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC3C(C)C(=O)[O-])CC2)=CS1	REAL300006229387	1	52	0.0	-83.71	395.33	9.44	-74.27
CC(C(=O)[O-])C1CCCN1C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300006229449	0	56	0.0	-74.33	420.40	11.34	-62.99
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300006229455	0	56	0.0	-78.43	413.45	12.80	-65.63
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300006229455	1	56	0.0	-78.56	415.21	12.85	-65.71
CC(C(=O)[O-])C1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300006229523	0	52	0.0	-74.89	342.08	9.89	-65.00
CC(C(=O)[O-])C1CCCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300006229525	0	52	0.0	-76.11	368.68	10.36	-65.75
CC(C(=O)[O-])C1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300006229525	1	52	0.0	-58.75	364.76	9.92	-48.83
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006229584	0	46	0.0	-79.58	352.78	8.44	-71.14
CC(C(=O)[O-])C1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006229603	0	54	0.0	-68.91	371.65	8.61	-60.30
CC(C(=O)[O-])C1CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300006229627	1	50	0.0	-67.78	364.61	8.18	-59.60
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2C(C)C(=O)[O-])C=C1)C(C)C	REAL300006229628	0	55	0.0	-79.46	387.55	10.76	-68.70
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2C(C)C(=O)[O-])C=C1)C(C)C	REAL300006229628	1	55	0.0	-78.66	378.52	10.39	-68.27
CC(C(=O)[O-])C1CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006229645	0	50	0.0	-75.33	369.51	10.88	-64.45
CC(C(=O)[O-])C1CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006229645	1	50	0.0	-76.04	369.65	10.94	-65.10
CC(C(=O)[O-])C1CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006229646	0	51	0.0	-86.39	370.60	10.34	-76.05
CC(C(=O)[O-])C1CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006229668	0	54	0.0	-60.54	363.06	8.20	-52.34
CC(C(=O)[O-])C1CCCN1C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300006229671	0	49	0.0	-51.05	361.55	10.37	-40.68
CC(C(=O)[O-])C1CCCN1C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300006229671	1	49	0.0	-55.48	359.32	10.38	-45.10
CC(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006229679	0	56	0.0	-68.13	399.68	12.44	-55.69
CC(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006229679	1	56	0.0	-60.14	409.01	12.30	-47.84
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300006229696	0	45	0.0	-78.90	333.60	7.24	-71.66
CCC[NH+](CCC)CCCC(=O)N1CCCC1C(C)C(=O)[O-]	REAL300006229703	0	54	0.0	-62.10	388.88	10.54	-51.56
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006229721	0	50	0.0	-82.75	367.21	10.50	-72.25
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006229726	0	53	0.0	-74.08	379.31	11.01	-63.07
CCC(C(=O)N1CCCC1C(C)C(=O)[O-])[N@@H+]1CCOC(CC)C1	REAL300006229729	1	53	0.0	-60.34	365.40	9.38	-50.96
CCC(C(=O)N1CCCC1C(C)C(=O)[O-])[N@H+]1CCOC(CC)C1	REAL300006229729	1	53	0.0	-59.72	371.43	9.44	-50.28
CCN1CCC([NH+]2CCC(C(=O)N3CCCC3C(C)C(=O)[O-])CC2)CC1	REAL300006229732	0	61	0.0	-81.11	422.58	9.35	-71.76
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300006229739	1	57	0.0	-85.88	417.32	10.23	-75.65
CC(C(=O)[O-])C1CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006229748	1	54	0.0	-87.68	397.89	11.18	-76.50
CC(C(=O)[O-])C1CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006229748	1	54	0.0	-72.27	398.60	11.09	-61.18
CC1=C(C(=O)N2CCCC2C(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006229762	1	44	0.0	-82.43	341.17	8.26	-74.17
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006229765	0	53	0.0	-81.84	380.12	11.05	-70.79
CC(C(=O)[O-])C1CCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006229776	1	46	0.0	-78.84	350.81	8.86	-69.98
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300006229777	0	49	0.0	-83.67	361.36	10.09	-73.58
CC(C(=O)[O-])C1CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006229781	1	51	0.0	-70.10	376.81	10.12	-59.98
CC(C(=O)[O-])C1CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006229781	1	51	0.0	-66.64	369.06	10.21	-56.43
CC(C(=O)[O-])C1CCCN1C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006229790	0	59	0.0	-54.27	415.70	12.72	-41.55
CC(C(=O)[O-])C1CCCN1C(=O)C(C)[NH+]1CCSCC1	REAL300006229812	1	44	0.0	-53.82	318.43	8.28	-45.54
CC(C(=O)[O-])C1CCCN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300006229819	0	49	0.0	-55.46	365.05	10.86	-44.60
CC(C(=O)[O-])C1CCCN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300006229819	1	49	0.0	-55.29	365.04	10.86	-44.43
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C(C)C(=O)[O-]	REAL300006229820	0	53	0.0	-58.94	394.45	6.94	-52.00
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C(C)C(=O)[O-]	REAL300006229820	1	53	0.0	-76.60	397.72	7.31	-69.29
CC(C(=O)[O-])C1CCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006229827	0	58	0.0	-66.71	420.63	10.74	-55.97
CC(C(=O)[O-])C1CCCN1C(=O)C[N@H+](C)C1CCSC1	REAL300006229849	0	44	0.0	-76.68	329.42	8.84	-67.84
CC(C(=O)[O-])C1CCCN1C(=O)C[N@@H+](C)C1CCSC1	REAL300006229849	1	44	0.0	-75.10	330.17	8.94	-66.16
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2C(C)C(=O)[O-])CC1	REAL300006229859	0	54	0.0	-75.91	386.17	7.89	-68.02
CC(C)N1CC[NH+](CCC(=O)N2CCCC2C(C)C(=O)[O-])CC1	REAL300006229859	1	54	0.0	-76.38	381.72	7.71	-68.67
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2C(C)C(=O)[O-])CC1	REAL300006229860	0	57	0.0	-65.94	398.06	7.94	-58.00
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2C(C)C(=O)[O-])CC1	REAL300006229860	1	57	0.0	-62.95	399.48	8.10	-54.85
CC(C(=O)[O-])C1CCCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300006229862	0	46	0.0	-80.61	343.18	7.24	-73.37
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC3C(C)C(=O)[O-])CC2)=C1	REAL300006229865	0	58	0.0	-79.48	423.80	10.67	-68.81
CC(C(=O)[O-])C1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006229867	0	55	0.0	-79.58	402.38	9.99	-69.59
CC(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006229870	0	52	0.0	-76.83	372.14	9.79	-67.04
CC(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006229870	1	52	0.0	-76.13	377.72	10.24	-65.89
CC(C(=O)[O-])C1CCCN1C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006229875	0	50	0.0	-48.63	362.52	10.85	-37.78
CC(C(=O)[O-])C1CCCN1C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300006229875	1	50	0.0	-52.40	356.75	10.65	-41.75
CC(C(=O)[O-])C1CCCN1C(=O)C(C)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300006229877	1	55	0.0	-58.26	399.91	9.50	-48.76
CC(C(=O)[O-])C1CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006229894	0	53	0.0	-80.46	392.14	11.82	-68.64
CC(C(=O)[O-])C1CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006229894	1	53	0.0	-66.02	391.74	11.85	-54.17
CC(C(=O)[O-])C1CCCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300006229905	0	46	0.0	-90.27	352.03	8.31	-81.96
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300006229906	0	46	0.0	-61.00	344.67	7.83	-53.17
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1C(C)C(=O)[O-]	REAL300006229907	1	47	0.0	-56.08	352.29	9.82	-46.26
CC(C(=O)[O-])C1CCCN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300006229910	1	47	0.0	-82.48	352.54	7.95	-74.53
CC(C(=O)[O-])C1CCCN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300006229910	1	47	0.0	-77.07	354.38	7.80	-69.27
CC(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006229918	0	53	0.0	-77.29	384.11	11.59	-65.70
CC(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006229918	1	53	0.0	-70.68	389.20	12.07	-58.61
CC(C(=O)[O-])C1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006229922	0	54	0.0	-80.55	400.10	9.46	-71.09
CC(C(=O)[O-])C1CCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006229958	0	53	0.0	-54.52	369.31	10.23	-44.29
CC(C(=O)[O-])C1CCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006229958	1	53	0.0	-60.22	370.47	10.44	-49.78
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300006229983	0	55	0.0	-71.46	397.75	8.63	-62.83
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300006229984	0	55	0.0	-80.16	400.14	8.59	-71.57
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300006229984	1	55	0.0	-84.09	400.48	8.65	-75.44
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300006229985	0	56	0.0	-80.10	403.93	10.35	-69.75
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006230062	0	57	0.0	-85.80	412.11	8.42	-77.38
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300006230066	0	46	0.0	-75.08	339.13	9.21	-65.87
CC(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006230067	0	53	0.0	-74.01	389.55	11.63	-62.38
CC(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006230067	1	53	0.0	-73.60	386.84	11.47	-62.13
CC[NH+]1CCN(CCC(=O)N2CCCC2C(C)C(=O)[O-])CC1	REAL300006230108	0	51	0.0	-77.32	368.69	7.30	-70.02
CCN1CC[NH+](CCC(=O)N2CCCC2C(C)C(=O)[O-])CC1	REAL300006230108	1	51	0.0	-76.61	367.64	7.30	-69.31
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1C(C)C(=O)[O-]	REAL300006230114	1	47	0.0	-54.98	351.79	9.76	-45.22
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300006230161	1	51	0.0	-78.04	372.86	10.27	-67.77
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300006230161	1	51	0.0	-80.25	373.08	9.64	-70.61
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2C(C)C(=O)[O-])O1	REAL300006230201	0	49	0.0	-81.93	362.80	9.60	-72.33
CC1=CC=C(N2CCC(C(=O)N3CCCC3C(C)C(=O)[O-])CC2)[NH+]=C1	REAL300006230202	1	52	0.0	-64.87	380.21	9.29	-55.58
CC(C(=O)[O-])C1CCCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300006230203	1	46	0.0	-55.12	347.62	10.19	-44.93
CC(C(=O)[O-])C1CCCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300006230203	1	46	0.0	-54.86	342.59	10.02	-44.84
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC3C(C)C(=O)[O-])C=C2)CC1	REAL300006230206	0	58	0.0	-83.14	410.46	9.70	-73.44
CC(C(=O)[O-])C1CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006230215	1	41	0.0	-78.67	319.25	7.22	-71.45
CC(C(=O)[O-])C1CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300006230242	0	53	0.0	-82.95	390.53	11.45	-71.50
CC(C(=O)[O-])C1CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300006230242	1	53	0.0	-74.76	390.15	11.94	-62.82
CC(C(=O)[O-])C1CCCN1C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300006230259	0	54	0.0	-78.48	407.00	11.11	-67.37
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006230273	0	50	0.0	-82.62	373.47	10.25	-72.37
CC(C(=O)[O-])C1CCCN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300006230567	0	43	0.0	-60.94	317.59	7.75	-53.19
CC(C(=O)[O-])C1CCCN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300006230567	1	43	0.0	-58.85	318.86	8.80	-50.05
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300006230907	0	49	0.0	-77.42	360.24	10.00	-67.42
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300006230912	0	50	0.0	-82.73	372.17	9.14	-73.59
CC(C(=O)[O-])C1CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006230984	0	56	0.0	-65.54	406.03	12.55	-52.99
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300006230986	1	54	0.0	-83.74	385.97	9.41	-74.33
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300006230986	1	54	0.0	-84.08	386.28	9.43	-74.65
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3C(C)C(=O)[O-])=CN21	REAL300006231010	0	41	0.0	-69.17	310.93	8.93	-60.24
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2C(C)C(=O)[O-])C1	REAL300006231047	0	52	0.0	-72.86	367.82	10.21	-62.65
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2C(C)C(=O)[O-])C1	REAL300006231047	1	52	0.0	-50.70	356.03	10.18	-40.52
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C1	REAL300006231138	0	51	0.0	-52.16	402.49	7.14	-45.02
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C1	REAL300006231138	1	51	0.0	-53.19	404.39	7.59	-45.60
COC1=CC=C(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1OC	REAL300006231262	0	55	0.0	-49.92	409.20	8.99	-40.93
COC1=CC=C(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1OC	REAL300006231262	1	55	0.0	-49.51	408.79	8.96	-40.55
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)C1	REAL300006231374	0	53	0.0	-54.22	403.93	7.60	-46.62
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)C1	REAL300006231374	1	53	0.0	-58.32	411.10	8.04	-50.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3CCOCC3=C2)C1	REAL300006231464	0	45	0.0	-51.47	338.47	7.40	-44.07
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3CCOCC3=C2)C1	REAL300006231464	1	45	0.0	-51.16	343.94	7.38	-43.78
CN(CCCCC(=O)[O-])C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006232771	0	52	0.0	-79.60	393.15	11.35	-68.25
CN(CCCCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300006233532	0	49	0.0	-65.75	373.64	10.46	-55.29
CN(CCCCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006233532	1	49	0.0	-68.52	378.10	10.87	-57.65
CN(CCCCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300006234248	1	49	0.0	-68.55	390.59	11.01	-57.54
CN(CCCCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300006234248	1	49	0.0	-71.90	394.83	11.39	-60.51
CN(CCCCC(=O)[O-])C(=O)C1COCC[N@@H+]1C1CCCC1	REAL300006234319	1	50	0.0	-67.08	363.01	8.30	-58.78
CN(CCCCC(=O)[O-])C(=O)C1COCC[N@H+]1C1CCCC1	REAL300006234319	1	50	0.0	-68.33	360.11	7.71	-60.62
CN(CCCCC(=O)[O-])C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006234322	0	52	0.0	-67.93	394.77	11.22	-56.71
CC1=NC(C[NH+]2CCC(C(=O)N(C)CCCCC(=O)[O-])CC2)=CS1	REAL300006234383	1	51	0.0	-79.70	401.79	9.16	-70.54
CN(CCCCC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300006234439	0	55	0.0	-78.41	431.10	11.16	-67.25
CN(CCCCC(=O)[O-])C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300006234452	0	55	0.0	-88.54	429.82	13.09	-75.45
CN(CCCCC(=O)[O-])C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300006234452	1	55	0.0	-78.80	429.81	13.10	-65.70
CN(CCCCC(=O)[O-])C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006234453	0	55	0.0	-72.69	401.74	11.48	-61.21
CN(CCCCC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006234491	0	52	0.0	-74.57	404.10	11.10	-63.47
CN(CCCCC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006234491	1	52	0.0	-74.13	401.36	10.97	-63.16
CN(CCCCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006234546	1	52	0.0	-70.84	399.67	11.51	-59.33
CN(CCCCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006234546	1	52	0.0	-73.56	392.92	11.23	-62.33
CN(CCCCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006234547	1	49	0.0	-69.45	380.27	10.56	-58.89
CN(CCCCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006234547	1	49	0.0	-72.87	384.51	10.94	-61.93
CN(CCCCC(=O)[O-])C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006234593	0	45	0.0	-78.01	362.87	8.63	-69.38
CN(CCCCC(=O)[O-])C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300006234598	0	55	0.0	-80.93	430.59	10.73	-70.20
CN(CCCCC(=O)[O-])C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006234622	0	52	0.0	-65.45	367.13	9.95	-55.50
CN(CCCCC(=O)[O-])C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300006234622	1	52	0.0	-63.63	371.92	10.11	-53.52
CN(CCCCC(=O)[O-])C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006234623	0	53	0.0	-65.73	378.23	8.28	-57.45
CN(CCCCC(=O)[O-])C(=O)CCCC[NH+]1CCOCC1	REAL300006234646	1	49	0.0	-76.83	375.30	8.00	-68.83
CC[N@H+](CC1=CC=C(C(=O)N(C)CCCCC(=O)[O-])C=C1)C(C)C	REAL300006234647	0	54	0.0	-77.47	399.46	10.98	-66.49
CC[N@@H+](CC1=CC=C(C(=O)N(C)CCCCC(=O)[O-])C=C1)C(C)C	REAL300006234647	1	54	0.0	-78.70	393.08	10.72	-67.98
CN(CCCCC(=O)[O-])C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006234668	0	49	0.0	-72.86	376.54	10.63	-62.23
CN(CCCCC(=O)[O-])C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006234668	1	49	0.0	-73.29	377.97	10.71	-62.58
CN(CCCCC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006234669	0	50	0.0	-82.09	377.06	10.06	-72.03
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CCC(C)C(C)N(CC1=CC=CC(F)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006236372	1	58	0.0	-47.47	419.13	12.58	-34.89
COC1=CC2=C(C(OC)=C1)C(C)(C)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300006236469	0	58	0.0	-51.34	416.85	9.80	-41.54
COC1=CC2=C(C(OC)=C1)C(C)(C)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300006236469	1	58	0.0	-51.34	416.85	9.80	-41.54
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=NC(C(F)(F)F)=NC=C3C2)C1	REAL300006236578	0	45	0.0	-58.55	363.76	7.97	-50.58
CC(C)(C)OC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006236694	0	53	0.0	-44.31	375.92	8.15	-36.16
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300006236778	0	51	0.0	-80.84	383.74	9.32	-71.52
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300006236778	1	51	0.0	-80.84	383.74	9.32	-71.52
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300006236780	0	49	0.0	-81.12	371.25	9.00	-72.12
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300006236780	1	49	0.0	-81.12	371.25	9.00	-72.12
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300006236785	0	51	0.0	-72.79	375.47	9.07	-63.72
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300006236785	1	51	0.0	-72.79	375.47	9.07	-63.72
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300006236787	0	48	0.0	-84.83	362.33	8.51	-76.32
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300006236787	1	48	0.0	-84.83	362.33	8.51	-76.32
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CC(C)(C)CC(=O)[O-]	REAL300006236791	0	50	0.0	-75.56	346.74	7.29	-68.27
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC(C)(C)CC(=O)[O-]	REAL300006236791	1	50	0.0	-75.56	346.74	7.29	-68.27
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300006236796	0	48	0.0	-88.09	362.66	8.51	-79.58
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300006236796	1	48	0.0	-88.09	362.66	8.51	-79.58
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300006236797	0	44	0.0	-89.65	339.84	4.47	-85.18
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300006236797	1	44	0.0	-89.65	339.84	4.47	-85.18
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CC1CCC(C(=O)[O-])CC1	REAL300006236806	0	54	0.0	-82.45	382.91	8.76	-73.69
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC1CCC(C(=O)[O-])CC1	REAL300006236806	1	54	0.0	-82.45	382.91	8.76	-73.69
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CC(C)(C)CC(=O)[O-]	REAL300006236807	0	50	0.0	-75.56	346.74	7.29	-68.27
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC(C)(C)CC(=O)[O-]	REAL300006236807	1	50	0.0	-75.56	346.74	7.29	-68.27
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006236811	0	58	0.0	-75.59	416.25	10.74	-64.85
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006236811	1	58	0.0	-75.59	416.25	10.74	-64.85
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006236814	0	45	0.0	-85.74	344.75	5.95	-79.79
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006236814	1	45	0.0	-85.74	344.75	5.95	-79.79
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CCSCC(=O)[O-]	REAL300006236817	0	45	0.0	-74.21	347.54	7.04	-67.17
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCSCC(=O)[O-]	REAL300006236817	1	45	0.0	-74.21	347.54	7.04	-67.17
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006236823	0	46	0.0	-77.87	355.74	7.25	-70.62
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006236823	1	46	0.0	-77.87	355.74	7.25	-70.62
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006236825	0	46	0.0	-73.04	357.29	7.62	-65.42
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006236825	1	46	0.0	-73.04	357.29	7.62	-65.42
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006236830	0	45	0.0	-95.83	343.85	5.98	-89.85
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006236830	1	45	0.0	-95.83	343.85	5.98	-89.85
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006236831	0	51	0.0	-95.79	387.67	7.36	-88.43
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006236831	1	51	0.0	-95.79	387.67	7.36	-88.43
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006236833	0	52	0.0	-76.89	380.57	6.66	-70.23
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006236833	1	52	0.0	-76.89	380.57	6.66	-70.23
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006236837	0	53	0.0	-48.84	380.02	6.49	-42.35
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006236837	1	53	0.0	-48.84	380.02	6.49	-42.35
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006236839	0	52	0.0	-95.97	395.60	9.94	-86.03
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006236839	1	52	0.0	-95.97	395.60	9.94	-86.03
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CC1(CC(=O)[O-])CC1	REAL300006236852	0	48	0.0	-69.02	350.93	7.57	-61.45
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC1(CC(=O)[O-])CC1	REAL300006236852	1	48	0.0	-69.02	350.93	7.57	-61.45
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006236859	0	50	0.0	-77.30	370.82	7.28	-70.02
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006236859	1	50	0.0	-77.30	370.82	7.28	-70.02
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006236860	0	49	0.0	-81.20	371.07	8.99	-72.21
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006236860	1	49	0.0	-81.20	371.07	8.99	-72.21
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006236865	0	48	0.0	-82.18	367.53	7.20	-74.98
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006236865	1	48	0.0	-82.18	367.53	7.20	-74.98
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006236868	0	51	0.0	-82.63	373.75	9.46	-73.17
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006236868	1	51	0.0	-82.63	373.75	9.46	-73.17
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[C@H](N2CCOCC2)[C@@H]1C	REAL300006236870	0	51	0.0	-89.58	379.52	8.95	-80.63
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C	REAL300006236870	1	51	0.0	-89.58	379.52	8.95	-80.63
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300006236871	0	45	0.0	-85.48	354.37	7.63	-77.85
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300006236871	1	45	0.0	-85.48	354.37	7.63	-77.85
C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006236872	0	48	0.0	-90.81	367.20	8.52	-82.29
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006236872	1	48	0.0	-90.81	367.20	8.52	-82.29
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CNC3=CC=C([N+](=O)[O-])C=C23)C1	REAL300006236953	0	49	0.0	-56.09	392.00	8.89	-47.20
CC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)C(C)=C1	REAL300006237065	0	56	0.0	-49.58	421.19	12.70	-36.88
CC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)C(C)=C1	REAL300006237065	1	56	0.0	-48.84	423.67	12.52	-36.32
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006238162	0	59	0.0	-75.14	437.82	12.31	-62.83
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006239460	0	53	0.0	-68.27	386.17	9.94	-58.33
CC1=[NH+]C=C2CCC(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])CN21	REAL300006239487	1	51	0.0	-62.29	384.39	9.81	-52.48
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])CC2)=CS1	REAL300006239550	1	58	0.0	-74.00	444.02	10.05	-63.95
CC(C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006239551	1	54	0.0	-70.18	390.01	6.92	-63.26
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300006239622	0	62	0.0	-78.32	470.76	11.85	-66.47
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006239678	0	44	0.0	-69.14	346.09	10.64	-58.50
C[NH+](C)CC1(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CCCCC1	REAL300006239706	0	58	0.0	-76.87	392.48	10.42	-66.45
C[N@H+](CCC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1CCCCC1	REAL300006239710	0	58	0.0	-66.93	415.16	10.67	-56.26
C[N@@H+](CCC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1CCCCC1	REAL300006239710	1	58	0.0	-65.13	414.34	10.70	-54.43
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006239769	0	52	0.0	-79.66	405.99	9.72	-69.94
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006239784	0	60	0.0	-53.50	419.00	9.19	-44.31
CC1=[NH+]C=CN1CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006239811	1	50	0.0	-65.68	387.49	10.04	-55.64
O=C(CCCC[NH+]1CCOCC1)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006239812	1	56	0.0	-74.65	415.06	8.67	-65.98
CC[N@H+](CC1=CC=C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=C1)C(C)C	REAL300006239813	0	61	0.0	-77.31	442.59	12.22	-65.09
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=C1)C(C)C	REAL300006239813	1	61	0.0	-78.05	434.24	11.75	-66.30
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006239833	0	56	0.0	-66.42	421.63	11.51	-54.91
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006239833	1	56	0.0	-65.71	421.51	11.64	-54.07
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006239834	0	57	0.0	-72.52	415.71	10.76	-61.76
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006239862	0	60	0.0	-67.76	413.55	8.94	-58.82
CCC(C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[NH+](CC)CC	REAL300006239866	0	54	0.0	-55.01	378.44	9.28	-45.73
CC(C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006239868	0	55	0.0	-62.35	411.42	11.13	-51.22
CC(C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006239868	1	55	0.0	-62.70	411.64	11.10	-51.60
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006239875	0	62	0.0	-71.49	460.40	13.13	-58.36
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006239875	1	62	0.0	-69.49	460.42	13.12	-56.37
C[NH+](C)CC1=CC=C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=N1	REAL300006239889	0	51	0.0	-76.01	389.87	8.75	-67.26
CCC[NH+](CCC)CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006239896	0	60	0.0	-68.34	439.11	11.34	-57.00
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006239905	1	50	0.0	-57.97	382.41	9.81	-48.16
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O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006239924	0	59	0.0	-74.75	436.47	12.42	-62.33
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])CC2)CC1	REAL300006239929	0	67	0.0	-71.05	470.51	9.89	-61.16
O=C([O-])[C@H](CC1CCCCC1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006239948	1	60	0.0	-77.54	443.49	11.60	-65.94
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O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006239976	1	52	0.0	-76.02	400.43	9.30	-66.72
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CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300006240253	0	62	0.0	-79.65	455.23	11.48	-68.17
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C[NH+](C)CC1=CC=CC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300006240375	0	52	0.0	-74.24	394.67	10.63	-63.61
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C#CC[NH+]1CCC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006240427	0	51	0.0	-73.00	385.99	9.89	-63.11
CC[NH+]1CCN(CCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006240429	0	57	0.0	-73.61	413.37	7.63	-65.98
CCN1CC[NH+](CCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300006240429	1	57	0.0	-65.98	415.37	7.73	-58.25
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006240436	1	53	0.0	-60.67	401.97	10.30	-50.37
CC(C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006240467	0	55	0.0	-57.10	385.77	9.53	-47.57
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])=CC=C1N2	REAL300006240501	1	57	0.0	-82.04	429.70	11.02	-71.02
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])=CC=C1N2	REAL300006240501	1	57	0.0	-81.51	429.08	11.03	-70.48
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])O1	REAL300006240543	0	55	0.0	-73.74	416.86	10.32	-63.42
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CC1=CC=C(N2CCC(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])CC2)[NH+]=C1	REAL300006240546	1	58	0.0	-71.56	430.79	10.15	-61.41
C[N@H+](CC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300006240547	1	52	0.0	-61.77	392.58	10.72	-51.05
C[N@@H+](CC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300006240547	1	52	0.0	-63.22	393.47	10.68	-52.54
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006240593	0	59	0.0	-74.57	442.60	12.16	-62.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006240593	1	59	0.0	-68.87	436.23	12.12	-56.75
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006240609	0	52	0.0	-57.36	374.72	9.26	-48.10
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006240609	1	52	0.0	-55.71	374.27	9.15	-46.56
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300006240616	0	60	0.0	-82.45	459.18	11.57	-70.88
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CCC[N@@H+]1CCCC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006240784	0	55	0.0	-64.80	400.51	10.10	-54.70
CCC[N@H+]1CCCC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006240784	1	55	0.0	-65.86	399.65	10.14	-55.72
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CC(C)[N@@H+]1CCCC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006240995	0	55	0.0	-55.61	389.39	10.09	-45.52
CC(C)[N@H+]1CCCC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006240995	1	55	0.0	-58.02	388.55	10.12	-47.90
C[N@@H+]1CC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006240996	0	49	0.0	-77.52	373.86	8.62	-68.90
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C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300006241410	0	55	0.0	-77.48	417.40	11.41	-66.07
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CC1C[N@H+](CC2=CC=C(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])C=C2)CCO1	REAL300006241514	1	60	0.0	-83.70	442.27	10.73	-72.97
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])C=C2)CCO1	REAL300006241514	1	60	0.0	-84.26	441.44	10.79	-73.47
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CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006241598	0	58	0.0	-57.34	411.66	10.99	-46.35
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006241598	1	58	0.0	-58.69	410.85	11.03	-47.66
CC[N@@H+]1CCCC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006241599	0	52	0.0	-54.41	370.45	9.56	-44.85
CC[N@H+]1CCCC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300006241599	1	52	0.0	-58.78	372.75	9.57	-49.21
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O=C([O-])[C@H](CC1CCCCC1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006241613	1	51	0.0	-61.72	380.78	9.79	-51.93
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC2=CC(Br)=CC=C21	REAL300006241682	0	47	0.0	-48.40	373.91	11.02	-37.38
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC2=CC(Br)=CC=C21	REAL300006241682	1	47	0.0	-45.54	363.74	10.27	-35.27
CC1(C)C[C@@H](NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC(F)=CC=C2O1	REAL300006241794	0	51	0.0	-48.18	378.21	8.44	-39.74
CC1(C)C[C@@H](NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC(F)=CC=C2O1	REAL300006241794	1	51	0.0	-47.90	377.22	8.00	-39.90
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC(C)=CC(OC)=C1	REAL300006241911	0	53	0.0	-47.80	398.26	8.81	-38.99
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC(C)=CC(OC)=C1	REAL300006241911	1	53	0.0	-48.52	399.51	8.86	-39.66
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006243269	0	56	0.0	-73.65	417.32	11.28	-62.37
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300006244025	0	53	0.0	-70.19	402.45	10.55	-59.64
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006244025	1	53	0.0	-68.67	400.63	10.54	-58.13
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300006244882	1	53	0.0	-74.16	419.02	11.08	-63.08
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300006244882	1	53	0.0	-73.36	416.27	10.99	-62.37
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006244959	0	50	0.0	-68.99	370.16	9.12	-59.87
CC1=[NH+]C=C2CCC(C(=O)NC3CC(CC(=O)[O-])C3(C)C)CN21	REAL300006244989	1	48	0.0	-66.85	364.88	8.61	-58.24
CC1(C)C(CC(=O)[O-])CC1NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006244990	0	56	0.0	-71.61	411.79	10.49	-61.12
CC1=NC(C[NH+]2CCC(C(=O)NC3CC(CC(=O)[O-])C3(C)C)CC2)=CS1	REAL300006245064	1	55	0.0	-78.99	425.81	8.86	-70.13
CC(C(=O)NC1CC(CC(=O)[O-])C1(C)C)N1CC[NH+](C)CC1	REAL300006245065	1	51	0.0	-72.59	367.96	5.68	-66.91
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2CC(CC(=O)[O-])C2(C)C)C=C1	REAL300006245151	0	59	0.0	-74.50	450.33	10.79	-63.71
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=C1	REAL300006245163	0	59	0.0	-76.33	451.14	13.12	-63.21
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=C1	REAL300006245163	1	59	0.0	-76.75	451.08	13.11	-63.64
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006245165	0	59	0.0	-62.61	429.76	11.65	-50.96
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006245224	0	41	0.0	-68.74	326.42	9.55	-59.19
C[NH+](C)CC1(C(=O)NC2CC(CC(=O)[O-])C2(C)C)CCCCC1	REAL300006245254	0	55	0.0	-78.52	381.34	9.53	-68.99
C[N@H+](CCC(=O)NC1CC(CC(=O)[O-])C1(C)C)C1CCCCC1	REAL300006245258	0	55	0.0	-74.25	395.48	9.46	-64.79
C[N@@H+](CCC(=O)NC1CC(CC(=O)[O-])C1(C)C)C1CCCCC1	REAL300006245258	1	55	0.0	-68.16	394.69	9.64	-58.52
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006245281	1	56	0.0	-67.73	411.87	11.10	-56.63
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006245281	1	56	0.0	-67.99	412.00	11.09	-56.90
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006245282	1	53	0.0	-75.17	408.70	10.63	-64.54
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006245282	1	53	0.0	-74.36	405.94	10.54	-63.82
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006245338	0	49	0.0	-74.23	385.49	8.68	-65.55
C[NH+](C)CCN1N=CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=C1C1=CC=CC=C1	REAL300006245343	0	59	0.0	-79.73	454.41	10.69	-69.04
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006245367	0	56	0.0	-59.86	393.16	9.83	-50.03
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300006245367	1	56	0.0	-59.76	393.94	9.88	-49.88
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006245368	0	57	0.0	-73.72	407.98	8.32	-65.40
CC1=[NH+]C=CN1CCCC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245400	1	47	0.0	-66.21	367.23	8.96	-57.25
CC1(C)C(CC(=O)[O-])CC1NC(=O)CCCC[NH+]1CCOCC1	REAL300006245401	1	53	0.0	-72.28	394.52	7.64	-64.64
CC[N@H+](CC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C=C1)C(C)C	REAL300006245403	0	58	0.0	-78.43	420.40	10.81	-67.62
CC[N@@H+](CC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C=C1)C(C)C	REAL300006245403	1	58	0.0	-73.03	413.76	10.71	-62.32
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006245427	0	53	0.0	-68.95	401.04	10.54	-58.41
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006245427	1	53	0.0	-67.10	401.27	10.54	-56.56
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006245428	0	54	0.0	-76.53	400.07	9.94	-66.59
C[NH+]1CCN(C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C2=CC=CC=C2)CC1	REAL300006245456	1	58	0.0	-65.51	429.69	9.36	-56.15
CC1(C)C(CC(=O)[O-])CC1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006245457	0	57	0.0	-73.56	393.70	7.72	-65.84
CC(C(=O)NC1CC(CC(=O)[O-])C1(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300006245462	0	52	0.0	-71.56	392.29	9.85	-61.71
CC(C(=O)NC1CC(CC(=O)[O-])C1(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300006245462	1	52	0.0	-69.82	392.27	9.88	-59.94
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006245473	0	59	0.0	-69.06	434.47	12.12	-56.94
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006245473	1	59	0.0	-71.56	440.04	12.10	-59.46
C[NH+](C)CC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C=N1	REAL300006245501	0	48	0.0	-74.76	370.20	8.06	-66.70
CCC[NH+](CCC)CCCC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245512	0	57	0.0	-68.45	414.34	9.97	-58.48
CC1(C)C(CC(=O)[O-])CC1NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300006245513	1	57	0.0	-70.65	425.81	7.81	-62.84
CC[N@H+](C)C(C(=O)NC1CC(CC(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006245514	0	52	0.0	-64.62	389.72	10.00	-54.62
CC[N@@H+](C)C(C(=O)NC1CC(CC(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006245514	1	52	0.0	-63.12	388.78	10.19	-52.93
CC[NH+](CC)C(C(=O)NC1CC(CC(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006245519	0	55	0.0	-66.40	395.66	10.32	-56.08
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245525	1	47	0.0	-61.02	362.02	8.78	-52.24
C[NH+](C)C(C(=O)NC1CC(CC(=O)[O-])C1(C)C)C1=CC=C(Cl)C=C1	REAL300006245527	1	49	0.0	-73.12	388.65	9.88	-63.24
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006245541	0	53	0.0	-75.84	399.22	10.68	-65.16
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006245548	0	56	0.0	-74.51	416.95	11.20	-63.31
CCN1CCC([NH+]2CCC(C(=O)NC3CC(CC(=O)[O-])C3(C)C)CC2)CC1	REAL300006245555	0	64	0.0	-71.45	451.08	8.99	-62.46
CC1C[NH+](CC2=CC=C(C(=O)NC3CC(CC(=O)[O-])C3(C)C)C=C2)CC(C)O1	REAL300006245562	1	60	0.0	-83.97	450.30	10.24	-73.73
CC1(C)C(CC(=O)[O-])CC1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006245573	1	57	0.0	-76.25	423.74	10.54	-65.71
CC1(C)C(CC(=O)[O-])CC1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006245573	1	57	0.0	-74.37	430.64	10.57	-63.80
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300006245589	0	56	0.0	-63.00	414.96	11.20	-51.80
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300006245589	1	56	0.0	-62.72	414.83	11.20	-51.52
CC1=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300006245591	1	47	0.0	-80.67	371.15	7.73	-72.94
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006245599	0	56	0.0	-75.96	415.96	11.39	-64.57
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006245611	1	49	0.0	-75.50	380.76	8.24	-67.26
C[NH+](C)CCC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C=C1	REAL300006245612	0	52	0.0	-83.89	397.91	10.20	-73.69
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245623	1	45	0.0	-64.79	346.27	6.93	-57.86
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006245624	1	54	0.0	-63.08	403.22	9.90	-53.18
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006245624	1	54	0.0	-69.11	410.53	10.07	-59.04
CC(C(=O)NC1CC(CC(=O)[O-])C1(C)C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006245638	0	62	0.0	-70.44	455.27	12.34	-58.10
CC(C(=O)NC1CC(CC(=O)[O-])C1(C)C)[NH+]1CCSCC1	REAL300006245678	1	47	0.0	-65.19	351.68	7.89	-57.30
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245685	0	52	0.0	-73.90	396.40	10.31	-63.59
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245685	1	52	0.0	-68.30	395.40	10.48	-57.82
COCCOCC[N@H+](C)CCC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245686	0	56	0.0	-67.80	424.44	6.65	-61.15
COCCOCC[N@@H+](C)CCC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245686	1	56	0.0	-69.93	424.46	6.67	-63.26
C[N@@H+]1CCCC(O)(CC(=O)NC2CC(CC(=O)[O-])C2(C)C)C1	REAL300006245690	0	50	0.0	-71.96	364.67	6.30	-65.66
C[N@H+]1CCCC(O)(CC(=O)NC2CC(CC(=O)[O-])C2(C)C)C1	REAL300006245690	1	50	0.0	-65.78	367.34	6.21	-59.57
CC1(C)C(CC(=O)[O-])CC1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006245700	0	61	0.0	-73.62	450.55	10.19	-63.43
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300006245701	1	55	0.0	-64.64	400.55	9.29	-55.35
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300006245701	1	55	0.0	-64.68	400.42	9.30	-55.38
CCCCCC[N@H+](C)CC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245704	0	54	0.0	-71.60	400.99	9.62	-61.98
CCCCCC[N@@H+](C)CC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245704	1	54	0.0	-71.52	400.99	9.63	-61.89
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006245716	1	41	0.0	-72.59	326.69	9.56	-63.03
C[N@H+](CC(=O)NC1CC(CC(=O)[O-])C1(C)C)C1CCSC1	REAL300006245734	0	47	0.0	-70.50	355.75	8.27	-62.23
C[N@@H+](CC(=O)NC1CC(CC(=O)[O-])C1(C)C)C1CCSC1	REAL300006245734	1	47	0.0	-68.12	355.53	8.29	-59.83
CC(C)[NH+]1CCN(CCC(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006245749	0	57	0.0	-68.67	411.61	7.22	-61.45
CC(C)N1CC[NH+](CCC(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006245749	1	57	0.0	-74.02	411.97	7.03	-66.99
CC(C)[NH+]1CCN(CCCC(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006245750	0	60	0.0	-71.23	434.07	7.85	-63.38
CC(C)N1CC[NH+](CCCC(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006245750	1	60	0.0	-74.19	430.57	7.65	-66.54
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006245751	0	50	0.0	-63.20	361.51	8.69	-54.51
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC2CCC[N@H+]21	REAL300006245751	1	50	0.0	-66.99	353.05	8.42	-58.57
C[NH+](C)CCN1C=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C=N1	REAL300006245753	0	49	0.0	-77.91	380.57	7.54	-70.37
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3CC(CC(=O)[O-])C3(C)C)CC2)=C1	REAL300006245760	0	61	0.0	-71.75	450.46	10.05	-61.70
CC1(C)C(CC(=O)[O-])CC1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006245762	0	58	0.0	-78.06	430.03	9.21	-68.85
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006245765	0	55	0.0	-71.19	412.34	9.47	-61.72
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006245765	1	55	0.0	-71.43	406.80	9.40	-62.03
CC(C(=O)NC1CC(CC(=O)[O-])C1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006245770	1	53	0.0	-69.83	392.53	10.37	-59.46
CC(C(=O)NC1CC(CC(=O)[O-])C1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300006245770	1	53	0.0	-70.80	392.28	10.43	-60.37
CC1(C)C(CC(=O)[O-])CC1NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006245798	0	56	0.0	-71.79	418.82	11.20	-60.59
CC1(C)C(CC(=O)[O-])CC1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006245798	1	56	0.0	-78.09	422.56	11.11	-66.98
C[NH+](C)CCN1C=CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=N1	REAL300006245813	0	49	0.0	-77.01	380.95	7.57	-69.44
C[NH+](C)CCN1N=CC=C1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245814	0	49	0.0	-66.58	377.27	7.32	-59.26
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245820	1	50	0.0	-62.09	382.23	9.24	-52.85
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006245836	0	56	0.0	-71.30	423.81	11.30	-60.00
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006245836	1	56	0.0	-75.44	424.62	11.12	-64.32
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300006245837	1	52	0.0	-69.93	391.59	8.38	-61.55
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300006245837	1	52	0.0	-65.74	390.63	8.15	-57.59
CC(C[NH+]1CCOCC1)C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245841	0	50	0.0	-68.44	367.56	6.77	-61.67
CC1(C)C(CC(=O)[O-])CC1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006245842	0	57	0.0	-71.94	426.81	8.80	-63.14
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006245896	1	56	0.0	-75.55	418.52	9.72	-65.83
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006245897	0	56	0.0	-73.38	403.60	9.79	-63.59
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006245897	1	56	0.0	-66.50	401.57	9.93	-56.57
CC1(C)C(CC(=O)[O-])CC1NC(=O)C12CCC[NH+](CCC1)C2	REAL300006245916	0	50	0.0	-72.97	354.37	8.06	-64.91
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006245920	0	50	0.0	-65.03	364.80	8.79	-56.24
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC2CCCC[N@H+]21	REAL300006245920	1	50	0.0	-59.35	364.06	8.98	-50.37
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006245928	0	53	0.0	-66.92	379.85	7.28	-59.64
CC(C)[N@@H+]1CCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C(C2=CN(C)N=C2)C1	REAL300006245933	0	62	0.0	-76.68	447.36	9.54	-67.14
CC(C)[N@H+]1CCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C(C2=CN(C)N=C2)C1	REAL300006245933	1	62	0.0	-69.59	437.68	9.04	-60.55
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2CC(CC(=O)[O-])C2(C)C)C=N1	REAL300006245934	0	56	0.0	-80.23	412.49	8.46	-71.77
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2CC(CC(=O)[O-])C2(C)C)C=N1	REAL300006245934	1	56	0.0	-86.40	413.28	8.25	-78.15
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3CC(CC(=O)[O-])C3(C)C)=C2)CC1	REAL300006245939	0	58	0.0	-72.29	434.07	8.77	-63.52
C[NH+]1CCN(CC2=CC=C(C(=O)NC3CC(CC(=O)[O-])C3(C)C)C=C2)CC1	REAL300006245940	0	58	0.0	-75.67	433.02	8.96	-66.71
CN1CC[NH+](CC2=CC=C(C(=O)NC3CC(CC(=O)[O-])C3(C)C)C=C2)CC1	REAL300006245940	1	58	0.0	-82.54	433.49	8.66	-73.88
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C=C1	REAL300006245941	0	59	0.0	-73.88	435.58	10.39	-63.49
CC(C)[NH+]1CCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006245948	0	52	0.0	-69.09	371.48	8.67	-60.42
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006246065	0	60	0.0	-78.55	447.64	8.70	-69.85
C[NH+](C)CC1=CC=CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=C1	REAL300006246069	0	49	0.0	-76.72	375.17	9.34	-67.38
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006246070	0	56	0.0	-66.84	417.38	11.23	-55.61
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006246070	1	56	0.0	-72.21	418.08	11.05	-61.16
C#CC[NH+]1CCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006246137	0	48	0.0	-72.26	365.99	8.91	-63.35
CCC[N@@H+]1CCCCC1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006246139	0	52	0.0	-65.22	378.50	8.86	-56.36
CCC[N@H+]1CCCCC1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006246139	1	52	0.0	-61.98	377.64	9.03	-52.95
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006246141	0	49	0.0	-61.03	366.85	9.85	-51.18
CC[NH+]1CCN(CCC(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006246143	0	54	0.0	-70.31	394.87	6.71	-63.60
CCN1CC[NH+](CCC(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006246143	1	54	0.0	-73.96	395.33	6.49	-67.47
CC(C)C(C(=O)NC1CC(CC(=O)[O-])C1(C)C)[NH+]1CCCCC1	REAL300006246145	0	55	0.0	-61.89	385.14	10.11	-51.78
C[NH+](C)C(C(=O)NC1CC(CC(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006246146	1	49	0.0	-64.65	371.01	9.53	-55.12
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006246150	0	54	0.0	-67.10	409.40	7.46	-59.64
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006246150	1	54	0.0	-71.60	410.32	7.27	-64.33
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006246156	1	50	0.0	-66.50	382.64	9.03	-57.47
C[NH+](C)CC1=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)OC2=CC=CC=C21	REAL300006246157	0	52	0.0	-63.73	395.53	9.89	-53.84
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006246162	0	53	0.0	-67.22	379.68	9.42	-57.80
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006246162	1	53	0.0	-70.78	375.93	9.26	-61.52
CC(C)C(C(=O)NC1CC(CC(=O)[O-])C1(C)C)[NH+]1CC(C)OC(C)C1	REAL300006246190	1	59	0.0	-62.01	421.12	8.41	-53.60
CC(C(=O)NC1CC(CC(=O)[O-])C1(C)C)[NH+]1CCCCCC1	REAL300006246191	0	52	0.0	-65.76	366.05	8.33	-57.43
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC(CC(=O)[O-])C3(C)C)=CC=C1N2	REAL300006246226	1	54	0.0	-77.64	409.44	9.95	-67.69
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC(CC(=O)[O-])C3(C)C)=CC=C1N2	REAL300006246226	1	54	0.0	-80.39	410.14	9.75	-70.64
CC[NH+](CC)CC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)O1	REAL300006246284	0	52	0.0	-77.28	397.33	9.03	-68.25
CC1(C)C(CC(=O)[O-])CC1NC(=O)CCCC[NH+]1CCCC1	REAL300006246285	0	52	0.0	-69.27	387.58	9.36	-59.91
CC1=CC=C(N2CCC(C(=O)NC3CC(CC(=O)[O-])C3(C)C)CC2)[NH+]=C1	REAL300006246287	1	55	0.0	-66.62	410.27	9.12	-57.50
C[N@H+](CC(=O)NC1CC(CC(=O)[O-])C1(C)C)CC1=CC=CC=C1	REAL300006246288	1	49	0.0	-68.22	372.92	9.64	-58.58
C[N@@H+](CC(=O)NC1CC(CC(=O)[O-])C1(C)C)CC1=CC=CC=C1	REAL300006246288	1	49	0.0	-74.51	373.98	9.46	-65.05
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3CC(CC(=O)[O-])C3(C)C)C=C2)CC1	REAL300006246292	0	61	0.0	-74.50	442.43	9.90	-64.60
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006246307	1	44	0.0	-76.39	355.55	7.48	-68.91
C[NH+](C)CC1=CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=NO1	REAL300006246336	1	45	0.0	-76.86	355.39	7.10	-69.76
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006246341	0	56	0.0	-74.32	420.75	11.14	-63.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006246341	1	56	0.0	-75.44	419.44	10.95	-64.49
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CC(CC(=O)[O-])C2(C)C)C=C1	REAL300006246365	0	57	0.0	-81.26	439.71	10.33	-70.93
C[NH+]1CCC(OCC(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006246382	0	50	0.0	-79.57	377.02	7.95	-71.62
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006246388	0	53	0.0	-70.64	401.36	9.64	-61.00
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2CC(CC(=O)[O-])C2(C)C)[C@@H](C(F)(F)F)C1	REAL300006246429	0	55	0.0	-64.25	410.43	9.22	-55.03
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2CC(CC(=O)[O-])C2(C)C)[C@@H](C(F)(F)F)C1	REAL300006246429	1	55	0.0	-59.20	409.26	9.29	-49.91
CCC[N@@H+]1CCCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C1	REAL300006246574	0	52	0.0	-61.82	373.89	9.26	-52.56
CCC[N@H+]1CCCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C1	REAL300006246574	1	52	0.0	-65.75	380.13	9.06	-56.69
CC(C)C[N@@H+]1CCCC1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006246607	0	52	0.0	-61.31	381.11	9.20	-52.11
CC(C)C[N@H+]1CCCC1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006246607	1	52	0.0	-61.98	380.95	9.23	-52.75
CC1(C)C(CC(=O)[O-])CC1NC(=O)C[NH+]1CCC(CO)CC1	REAL300006246610	1	50	0.0	-71.77	370.48	5.03	-66.74
CC1(C)C(CC(=O)[O-])CC1NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300006246705	0	57	0.0	-63.88	425.39	11.53	-52.35
CC1(C)C(CC(=O)[O-])CC1NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300006246705	1	57	0.0	-75.18	427.19	11.50	-63.68
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300006246744	1	56	0.0	-74.48	412.70	10.91	-63.57
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300006246744	1	56	0.0	-70.33	412.49	10.93	-59.40
CC(C)[N@@H+]1CCCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C1	REAL300006246832	0	52	0.0	-64.93	369.63	8.85	-56.08
CC(C)[N@H+]1CCCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C1	REAL300006246832	1	52	0.0	-64.26	375.26	8.84	-55.42
C[N@@H+]1CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C(C(F)(F)F)C1	REAL300006246833	0	46	0.0	-84.89	349.26	8.01	-76.88
C[N@H+]1CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C(C(F)(F)F)C1	REAL300006246833	1	46	0.0	-81.08	354.59	7.37	-73.71
CC1=C(C)[NH+]=C(CCC(=O)NC2CC(CC(=O)[O-])C2(C)C)N1	REAL300006246858	1	47	0.0	-62.05	366.49	7.33	-54.72
C[NH+](C)CCC1=CC=CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=C1	REAL300006247340	0	52	0.0	-77.91	397.71	10.18	-67.73
C[NH+](C)CCOC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C=C1	REAL300006247347	0	53	0.0	-75.96	404.19	9.33	-66.63
CC1(C)C(CC(=O)[O-])CC1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006247437	0	59	0.0	-75.06	436.73	11.80	-63.26
CC1C[N@H+](CC2=CC=C(C(=O)NC3CC(CC(=O)[O-])C3(C)C)C=C2)CCO1	REAL300006247439	1	57	0.0	-83.83	422.47	9.52	-74.31
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CC(CC(=O)[O-])C3(C)C)C=C2)CCO1	REAL300006247439	1	57	0.0	-78.34	421.77	9.70	-68.64
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CC(CC(=O)[O-])C2(C)C)CC1	REAL300006247482	0	52	0.0	-58.91	368.68	8.74	-50.17
CC(C)C[N@@H+]1CCCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C1	REAL300006247548	0	55	0.0	-66.11	391.95	9.77	-56.34
CC(C)C[N@H+]1CCCC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C1	REAL300006247548	1	55	0.0	-66.11	391.95	9.77	-56.34
CN(C)CC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)O1	REAL300006247554	0	46	0.0	-80.36	361.52	7.67	-72.69
C[NH+](C)CC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)O1	REAL300006247554	1	46	0.0	-80.36	361.52	7.67	-72.69
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CC(CC(=O)[O-])C2(C)C)C1	REAL300006247560	0	55	0.0	-76.69	379.38	8.55	-68.14
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CC(CC(=O)[O-])C2(C)C)C1	REAL300006247560	1	55	0.0	-76.69	379.38	8.55	-68.14
CC1(C)C(CC(=O)[O-])CC1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006247563	0	48	0.0	-61.20	349.33	9.13	-52.07
CC1(C)C2CCC13CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C3C2	REAL300006247644	0	54	0.0	-46.30	367.69	10.88	-35.42
CC1(C)C2CCC13CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C3C2	REAL300006247644	1	54	0.0	-46.30	367.69	10.88	-35.42
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC4=C(C=C3C2)CCCC4)C1	REAL300006247770	0	54	0.0	-47.52	395.87	12.14	-35.38
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC4=C(C=C3C2)CCCC4)C1	REAL300006247770	1	54	0.0	-47.52	395.87	12.14	-35.38
COCCOCCOCCOCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006247895	0	61	0.0	-53.83	478.40	5.12	-48.71
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCC2(CC1)COCCO2	REAL300006248010	0	52	0.0	-46.19	370.46	5.68	-40.51
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCC2(CC1)COCCO2	REAL300006248010	1	52	0.0	-49.91	372.73	6.57	-43.34
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC(F)(F)CC2)C1	REAL300006248114	0	46	0.0	-49.95	337.30	7.66	-42.29
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC(F)(F)CC2)C1	REAL300006248114	1	46	0.0	-50.45	338.16	7.57	-42.88
COCC1=NOC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006248198	0	43	0.0	-48.72	340.36	4.67	-44.05
COCC1=NOC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006248198	1	43	0.0	-51.63	346.55	4.69	-46.94
O=C([O-])C12CC(CNC(=O)C3CC[NH+](C4CC4)CC3)(C1)OC21CCOCC1	REAL300006249504	0	57	0.0	-72.02	415.94	6.71	-65.31
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3C3CC3)(C1)OC21CCOCC1	REAL300006249524	0	54	0.0	-65.47	404.34	6.31	-59.16
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3C3CC3)(C1)OC21CCOCC1	REAL300006249524	1	54	0.0	-64.53	397.55	6.06	-58.47
CC1=[NH+]C=C2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)CN21	REAL300006249528	1	55	0.0	-64.92	413.48	6.48	-58.44
C[NH+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249574	0	46	0.0	-71.25	346.85	3.79	-67.46
C[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249575	0	53	0.0	-68.09	378.50	5.17	-62.92
C[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249575	1	53	0.0	-66.29	386.99	5.28	-61.01
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)N1CC[NH+](C)CC1	REAL300006249576	1	58	0.0	-71.05	416.79	3.56	-67.49
C[N@@H+]1CCCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249605	0	53	0.0	-66.39	387.74	5.37	-61.02
C[N@H+]1CCCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249605	1	53	0.0	-67.75	377.71	5.13	-62.62
C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006249649	0	53	0.0	-74.80	391.09	5.51	-69.29
O=C([O-])C12CC(CNC(=O)C3=CN4C=[NH+]C=C4C=C3)(C1)OC21CCOCC1	REAL300006249676	0	48	0.0	-72.38	377.07	7.28	-65.10
C[NH+](C)CC1(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CCCCC1	REAL300006249697	0	62	0.0	-70.59	430.53	7.40	-63.19
C[N@H+](CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1CCCCC1	REAL300006249701	0	62	0.0	-73.04	445.26	7.38	-65.66
C[N@@H+](CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1CCCCC1	REAL300006249701	1	62	0.0	-71.85	443.52	7.26	-64.59
C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249712	0	50	0.0	-66.51	371.74	4.70	-61.81
C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249712	1	50	0.0	-68.37	366.04	4.29	-64.08
C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006249754	0	53	0.0	-74.80	391.09	5.51	-69.29
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249789	1	54	0.0	-69.12	417.82	6.69	-62.43
O=C(CCCC[NH+]1CCOCC1)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249790	1	60	0.0	-75.79	445.12	5.38	-70.41
C[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)[NH+](C)C	REAL300006249796	0	49	0.0	-68.70	363.95	4.14	-64.56
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249797	0	50	0.0	-69.12	367.69	4.37	-64.75
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249797	1	50	0.0	-67.25	373.42	4.78	-62.47
C[C@H](C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)[NH+](C)C	REAL300006249801	0	49	0.0	-68.68	364.94	4.18	-64.50
C[NH+](C)C1(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006249809	0	50	0.0	-71.76	374.57	5.11	-66.65
CCC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)[NH+](CC)CC	REAL300006249864	0	58	0.0	-64.25	412.98	6.09	-58.16
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300006249883	0	55	0.0	-76.38	420.82	5.80	-70.58
CCC[NH+](CCC)CCCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249886	0	64	0.0	-72.64	464.93	7.71	-64.93
C[N@@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006249887	1	51	0.0	-79.27	383.45	4.19	-75.08
C[N@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006249887	1	51	0.0	-73.27	376.39	4.01	-69.26
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249896	1	54	0.0	-65.98	412.18	6.58	-59.40
C[NH+](C)CC1(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006249905	0	53	0.0	-72.26	393.76	5.40	-66.86
C[NH+](C)CCCCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249910	0	55	0.0	-73.94	412.21	5.93	-68.01
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)[NH+](C)C	REAL300006249919	0	55	0.0	-68.97	394.23	6.04	-62.93
CNC1=[NH+]C(C)=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249936	1	52	0.0	-63.78	396.22	4.84	-58.94
CCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249943	0	52	0.0	-69.41	384.34	5.08	-64.33
CCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249943	1	52	0.0	-69.33	384.34	5.09	-64.24
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1CCC1	REAL300006249962	0	53	0.0	-68.47	392.63	5.84	-62.63
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1CCC1	REAL300006249962	1	53	0.0	-68.81	392.77	5.85	-62.96
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)CC(C)(C)C	REAL300006249975	0	58	0.0	-70.16	416.16	6.35	-63.81
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)CC(C)(C)C	REAL300006249975	1	58	0.0	-70.33	416.31	6.41	-63.92
CC[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)[NH+](C)C	REAL300006249979	0	52	0.0	-67.78	377.16	4.80	-62.98
C[N@@H+]1CCCC(O)(CC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006249981	0	57	0.0	-70.48	414.37	4.23	-66.25
C[N@H+]1CCCC(O)(CC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006249981	1	57	0.0	-70.95	403.78	4.00	-66.95
CCCCCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250001	0	61	0.0	-70.52	448.83	7.42	-63.10
CCCCCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250001	1	61	0.0	-72.00	450.26	7.60	-64.40
O=C([O-])C12CC(CNC(=O)C34CCC[NH+]3CCC4)(C1)OC21CCOCC1	REAL300006250008	0	54	0.0	-68.93	390.63	5.73	-63.20
O=C([O-])C12CC(CNC(=O)C3=CC4=C[NH+]=CN4C=C3)(C1)OC21CCOCC1	REAL300006250016	1	48	0.0	-75.97	377.34	7.30	-68.67
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1CCSC1	REAL300006250023	0	54	0.0	-75.73	405.88	6.10	-69.63
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1CCSC1	REAL300006250023	1	54	0.0	-76.15	406.19	6.01	-70.14
O=C([O-])C12CC(CNC(=O)C3CCCC4CCC[N@@H+]43)(C1)OC21CCOCC1	REAL300006250038	0	57	0.0	-66.71	403.59	6.35	-60.36
O=C([O-])C12CC(CNC(=O)C3CCCC4CCC[N@H+]43)(C1)OC21CCOCC1	REAL300006250038	1	57	0.0	-63.62	411.15	6.64	-56.98
C[NH+](C)CCN1C=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300006250039	0	56	0.0	-78.83	430.16	5.23	-73.60
CCCC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)[NH+](C)C	REAL300006250060	0	55	0.0	-69.94	402.11	6.16	-63.78
C[NH+](C)CCN1C=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300006250069	0	56	0.0	-80.76	429.79	5.18	-75.58
C[NH+](C)CCN1N=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250070	0	56	0.0	-72.25	409.17	6.13	-66.12
C[C@@H]1[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC[N@@H+]1C	REAL300006250072	0	53	0.0	-74.93	384.40	4.79	-70.14
C[C@@H]1[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC[N@H+]1C	REAL300006250072	1	53	0.0	-71.92	389.11	5.00	-66.92
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250074	1	57	0.0	-66.00	432.80	7.00	-59.00
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC[N@@H+]1C	REAL300006250076	0	56	0.0	-70.82	401.69	5.38	-65.44
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC[N@H+]1C	REAL300006250076	1	56	0.0	-69.00	407.02	5.94	-63.06
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250078	1	52	0.0	-67.82	393.15	5.63	-62.19
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250078	1	52	0.0	-66.96	398.57	6.02	-60.94
CC1C[N@H+](C)CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300006250081	1	54	0.0	-73.74	397.98	4.79	-68.95
CC1C[N@@H+](C)CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300006250081	1	54	0.0	-79.76	404.59	4.93	-74.83
O=C(C[NH+]1CCCC1)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250087	0	50	0.0	-69.89	372.01	4.99	-64.90
CC1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250089	1	48	0.0	-67.29	375.96	5.47	-61.82
CC(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250091	0	57	0.0	-73.12	418.21	4.53	-68.59
CC1CC[NH+](CC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006250110	0	56	0.0	-70.80	409.81	6.29	-64.51
CC[N@@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006250118	1	54	0.0	-76.00	401.04	4.83	-71.17
CC[N@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006250118	1	54	0.0	-78.05	401.80	4.91	-73.14
C[N@@H+]1CCCC1CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250144	0	56	0.0	-72.15	409.61	6.08	-66.07
C[N@H+]1CCCC1CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250144	1	56	0.0	-71.55	409.84	5.85	-65.70
O=C([O-])C12CC(CNC(=O)C34CCC[NH+](CCC3)C4)(C1)OC21CCOCC1	REAL300006250152	0	57	0.0	-71.90	403.44	5.94	-65.96
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250154	1	54	0.0	-70.79	395.08	1.90	-68.89
C[N@H+]1CC(O)CC1(C)C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250154	1	54	0.0	-73.83	394.18	1.82	-72.01
O=C([O-])C12CC(CNC(=O)C3CCC4CCCC[N@@H+]43)(C1)OC21CCOCC1	REAL300006250155	0	57	0.0	-64.22	413.97	6.67	-57.55
O=C([O-])C12CC(CNC(=O)C3CCC4CCCC[N@H+]43)(C1)OC21CCOCC1	REAL300006250155	1	57	0.0	-64.32	413.55	6.62	-57.70
CC(C)(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250159	0	60	0.0	-68.93	427.65	4.88	-64.05
CC[NH+](CC)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250170	0	52	0.0	-68.65	382.95	5.16	-63.49
CC(C)[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006250172	0	59	0.0	-70.44	420.37	6.29	-64.15
O=C([O-])C12CC(CNC(=O)C34CC[NH+](CC3)C4)(C1)OC21CCOCC1	REAL300006250235	0	51	0.0	-72.70	377.56	4.27	-68.43
CCC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)[NH+](C)C	REAL300006250238	0	52	0.0	-67.86	377.09	4.81	-63.05
O=C([O-])C12CC(CNC(=O)C34CC[N@H+](C3)CCC4)(C1)OC21CCOCC1	REAL300006250245	0	54	0.0	-75.22	385.95	4.99	-70.23
O=C([O-])C12CC(CNC(=O)C34CC[N@@H+](C3)CCC4)(C1)OC21CCOCC1	REAL300006250245	1	54	0.0	-71.93	388.35	4.95	-66.98
CC1CCC(C)[NH+]1CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250275	0	56	0.0	-67.00	403.66	5.88	-61.12
C[NH+](C)CC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300006250276	0	56	0.0	-74.97	425.06	7.26	-67.71
C[NH+](C)C1(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CCC1	REAL300006250303	0	53	0.0	-66.27	380.19	5.23	-61.04
C#CC[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006250320	0	55	0.0	-75.75	415.77	6.66	-69.09
CCC[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250321	0	59	0.0	-66.43	416.89	6.52	-59.91
CCC[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250321	1	59	0.0	-65.19	427.13	6.72	-58.47
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250322	0	56	0.0	-63.41	417.50	7.55	-55.86
CC[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006250323	0	61	0.0	-71.61	442.55	4.18	-67.43
CCN1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006250323	1	61	0.0	-72.99	445.46	4.44	-68.55
CC(C)[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250324	0	52	0.0	-68.32	380.95	5.05	-63.27
CC(C)[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250324	1	52	0.0	-66.77	379.53	4.86	-61.91
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)[NH+]1CCCCC1	REAL300006250325	0	62	0.0	-66.23	437.84	7.79	-58.44
C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1=CC=CC=C1	REAL300006250326	1	56	0.0	-67.52	421.58	7.28	-60.24
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250330	1	57	0.0	-65.87	432.26	6.95	-58.92
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3C3CCCC3)(C1)OC21CCOCC1	REAL300006250335	0	60	0.0	-68.28	421.88	7.10	-61.18
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3C3CCCC3)(C1)OC21CCOCC1	REAL300006250335	1	60	0.0	-66.78	431.93	7.14	-59.64
CC[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1CC1	REAL300006250337	0	53	0.0	-66.95	396.04	5.83	-61.12
CC[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1CC1	REAL300006250337	1	53	0.0	-67.70	392.90	5.80	-61.90
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)[NH+]1CCCCCC1	REAL300006250350	0	59	0.0	-66.78	415.56	6.30	-60.48
C[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250353	0	50	0.0	-67.40	372.86	4.82	-62.58
C[N@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250353	1	50	0.0	-69.15	365.78	4.30	-64.85
CC(C)(C)[NH2+]CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250399	0	52	0.0	-69.61	385.80	3.52	-66.09
O=C(CCCC[NH+]1CCCC1)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250400	0	59	0.0	-72.41	438.18	7.11	-65.30
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)CC1=CC=CC=C1	REAL300006250402	1	56	0.0	-73.43	421.76	7.26	-66.17
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)CC1=CC=CC=C1	REAL300006250402	1	56	0.0	-74.76	423.24	7.45	-67.31
CC(C)[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)[NH+](C)C	REAL300006250409	0	55	0.0	-67.62	390.06	5.29	-62.33
O=C([O-])C12CC(CNC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)(C1)OC21CCOCC1	REAL300006250422	1	51	0.0	-78.41	405.15	5.18	-73.23
C[NH+](C)CC1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=NO1	REAL300006250433	1	52	0.0	-78.93	404.96	4.77	-74.16
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250442	0	56	0.0	-64.65	404.03	5.81	-58.84
CC(C)[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250442	1	56	0.0	-65.18	404.79	5.85	-59.33
C[NH+]1CCC(OCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006250457	0	57	0.0	-77.21	426.80	5.89	-71.32
CCC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006250566	0	59	0.0	-65.19	424.40	7.01	-58.18
CCC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006250566	1	59	0.0	-70.27	429.78	6.76	-63.51
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250584	0	59	0.0	-67.34	432.37	7.04	-60.30
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250584	1	59	0.0	-66.05	429.77	6.89	-59.16
O=C(C[NH+]1CCC(CO)CC1)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250585	1	57	0.0	-72.07	420.64	2.98	-69.09
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006250731	0	59	0.0	-67.69	424.00	6.47	-61.22
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006250731	1	59	0.0	-68.83	425.82	6.57	-62.26
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N1	REAL300006250749	1	54	0.0	-66.55	417.09	5.08	-61.47
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006251129	0	53	0.0	-72.03	395.52	5.48	-66.55
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300006251133	0	59	0.0	-69.47	418.58	6.56	-62.91
CC1=[NH+]C=C2C=CC(C(=O)NCC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CN21	REAL300006251135	0	51	0.0	-67.27	396.70	6.94	-60.33
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006251173	0	62	0.0	-69.58	446.96	7.46	-62.12
CC(C)C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006251173	1	62	0.0	-70.44	449.05	7.55	-62.89
CC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006251174	0	56	0.0	-69.65	408.23	6.01	-63.64
CC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006251174	1	56	0.0	-69.84	408.78	6.02	-63.82
C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006251179	0	53	0.0	-72.17	391.11	5.48	-66.69
C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006251179	1	53	0.0	-66.16	385.22	5.60	-60.56
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300006251181	1	53	0.0	-75.46	409.34	5.45	-70.01
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006251187	0	62	0.0	-73.34	435.96	6.87	-66.47
C[N@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300006251187	1	62	0.0	-74.57	428.89	6.44	-68.13
O=C([O-])C12CC(CNC(=O)C34CC(C3)C[N@@H+]4C3CC3)(C1)OC21CCOCC1	REAL300006251190	0	55	0.0	-67.52	400.36	6.21	-61.31
O=C([O-])C12CC(CNC(=O)C34CC(C3)C[N@H+]4C3CC3)(C1)OC21CCOCC1	REAL300006251190	1	55	0.0	-66.70	400.89	6.96	-59.74
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Br)=C3OCCOC3=C2)C1	REAL300006251254	1	43	0.0	-54.65	349.61	7.13	-47.52
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Br)=C3OCCOC3=C2)C1	REAL300006251254	1	43	0.0	-51.30	348.52	6.70	-44.60
CO[C@@H]1CCCCC[C@H]1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006251329	0	50	0.0	-46.43	361.93	6.62	-39.81
CO[C@@H]1CCCCC[C@H]1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006251329	1	50	0.0	-46.34	361.76	7.00	-39.34
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN3C=CC=C(Br)C3=N2)C1	REAL300006251425	0	43	0.0	-54.48	365.01	8.48	-46.00
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN3C=CC=C(Br)C3=N2)C1	REAL300006251425	1	43	0.0	-51.02	358.82	8.46	-42.56
CN(CC1=CN=C(N2C=CC=N2)S1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006251530	0	46	0.0	-52.19	375.29	9.07	-43.12
CN(CC1=CN=C(N2C=CC=N2)S1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006251530	1	46	0.0	-52.57	381.50	9.09	-43.48
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3CC3(F)F)CC2)C1	REAL300006251702	0	47	0.0	-45.81	348.69	9.23	-36.58
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3CC3(F)F)CC2)C1	REAL300006251702	1	47	0.0	-48.96	357.31	9.73	-39.23
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C(F)(F)F)C=C2Cl)C1	REAL300006251823	0	43	0.0	-50.37	369.83	8.87	-41.50
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C(F)(F)F)C=C2Cl)C1	REAL300006251823	1	43	0.0	-46.92	363.65	8.85	-38.07
CC1=NC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)=NO1	REAL300006251956	0	48	0.0	-48.28	378.69	6.16	-42.12
CC1=NC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)=NO1	REAL300006251956	1	48	0.0	-50.40	387.14	6.86	-43.54
CC(CCC1=CC=C(O)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006252064	0	53	0.0	-47.34	397.00	8.58	-38.76
CC(CCC1=CC=C(O)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006252064	1	53	0.0	-46.73	395.79	8.54	-38.19
O=C([O-])C12CC(CNC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)(C1)OC21CCC1	REAL300006253045	0	59	0.0	-75.11	446.55	10.33	-64.78
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)(C1)OC21CCC1	REAL300006253595	0	56	0.0	-63.68	422.44	9.17	-54.51
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)(C1)OC21CCC1	REAL300006253595	1	56	0.0	-65.95	429.47	9.71	-56.24
O=C([O-])C12CC(CNC(=O)C3CC[NH+](C4CC4)CC3)(C1)OC21CCC1	REAL300006254411	0	53	0.0	-68.61	393.09	7.87	-60.74
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3C3CC3)(C1)OC21CCC1	REAL300006254436	0	50	0.0	-61.87	382.12	7.56	-54.31
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3C3CC3)(C1)OC21CCC1	REAL300006254436	1	50	0.0	-62.03	377.29	7.39	-54.64
CC1=[NH+]C=C2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C3(CCC3)O4)CN21	REAL300006254442	1	51	0.0	-62.33	392.16	7.78	-54.55
O=C([O-])C12CC(CNC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)(C1)OC21CCC1	REAL300006254443	0	59	0.0	-65.34	448.84	10.19	-55.15
C[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254521	0	49	0.0	-65.49	357.92	6.47	-59.02
C[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254521	1	49	0.0	-64.03	367.04	6.73	-57.30
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)N1CC[NH+](C)CC1	REAL300006254522	1	54	0.0	-68.17	395.51	4.85	-63.32
C[N@@H+]1CCCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254562	0	49	0.0	-63.25	366.53	6.64	-56.61
C[N@H+]1CCCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254562	1	49	0.0	-65.27	357.37	6.43	-58.84
C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006254645	0	49	0.0	-71.43	368.24	6.67	-64.76
O=C([O-])C12CC(CNC(=O)C3=CN4C=[NH+]C=C4C=C3)(C1)OC21CCC1	REAL300006254675	0	44	0.0	-69.65	355.45	8.54	-61.11
C[NH+](C)CC1(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CCCCC1	REAL300006254709	0	58	0.0	-69.81	409.81	8.69	-61.12
C[N@H+](CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CCCCC1	REAL300006254714	0	58	0.0	-69.19	422.95	8.63	-60.56
C[N@@H+](CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CCCCC1	REAL300006254714	1	58	0.0	-69.12	422.94	8.64	-60.48
C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254730	0	46	0.0	-64.56	351.23	6.05	-58.51
C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254730	1	46	0.0	-66.87	346.50	5.68	-61.19
C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006254785	0	49	0.0	-71.43	368.24	6.67	-64.76
O=C([O-])C12CC(CNC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)(C1)OC21CCC1	REAL300006254789	0	52	0.0	-72.95	414.52	7.66	-65.29
O=C([O-])C12CC(CNC(=O)C3CCCC[N@@H+]3C3CCCC3)(C1)OC21CCC1	REAL300006254808	0	59	0.0	-61.41	422.68	8.82	-52.59
O=C([O-])C12CC(CNC(=O)C3CCCC[N@H+]3C3CCCC3)(C1)OC21CCC1	REAL300006254808	1	59	0.0	-62.87	418.11	9.01	-53.86
O=C([O-])C12CC(CNC(=O)C3CCC([NH+]4CCOCC4)CC3)(C1)OC21CCC1	REAL300006254809	0	60	0.0	-73.23	436.99	7.32	-65.91
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254844	1	50	0.0	-66.43	396.25	7.95	-58.48
O=C(CCCC[NH+]1CCOCC1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254845	1	56	0.0	-72.92	423.55	6.63	-66.29
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254850	0	46	0.0	-66.26	345.31	5.60	-60.66
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254850	1	46	0.0	-63.91	350.81	6.10	-57.81
C[NH+](C)C1(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006254859	0	46	0.0	-66.55	351.29	5.69	-60.86
O=C([O-])C12CC(CNC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)(C1)OC21CCC1	REAL300006254902	0	56	0.0	-70.04	429.57	9.45	-60.59
O=C([O-])C12CC(CNC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)(C1)OC21CCC1	REAL300006254902	1	56	0.0	-70.89	431.65	9.64	-61.25
O=C([O-])C12CC(CNC(=O)C3CC[NH+](C4CCSC4)CC3)(C1)OC21CCC1	REAL300006254903	0	57	0.0	-77.29	429.27	8.99	-68.30
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254926	0	60	0.0	-69.17	422.67	6.93	-62.24
CCC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[NH+](CC)CC	REAL300006254930	0	54	0.0	-61.12	391.44	7.33	-53.79
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[N@H+](C)CC1=CC=CC=C1	REAL300006254932	0	55	0.0	-66.15	418.64	9.01	-57.14
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[N@@H+](C)CC1=CC=CC=C1	REAL300006254932	1	55	0.0	-65.85	418.56	9.01	-56.84
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300006254961	0	51	0.0	-73.80	399.23	6.67	-67.13
CCC[NH+](CCC)CCCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254966	0	60	0.0	-69.44	447.84	9.26	-60.18
CC[N@H+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1=CC=CC=C1	REAL300006254967	0	55	0.0	-63.11	418.73	9.15	-53.96
CC[N@@H+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1=CC=CC=C1	REAL300006254967	1	55	0.0	-62.50	418.69	9.16	-53.34
C[N@@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006254969	1	47	0.0	-76.26	362.70	5.50	-70.76
C[N@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006254969	1	47	0.0	-75.01	362.13	5.47	-69.54
CC[NH+](CC)C(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1=CC=CC=C1	REAL300006254971	0	58	0.0	-64.45	424.06	9.39	-55.06
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254980	1	50	0.0	-62.14	389.33	7.73	-54.41
C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1=CC=C(Cl)C=C1	REAL300006254985	1	52	0.0	-68.92	416.73	9.05	-59.87
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)(C1)OC21CCC1	REAL300006254998	0	56	0.0	-75.20	428.24	9.68	-65.52
O=C([O-])C12CC(CNC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)(C1)OC21CCC1	REAL300006255005	0	59	0.0	-71.36	445.00	10.38	-60.98
C[NH+](C)CC1(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255009	0	49	0.0	-65.98	375.18	6.75	-59.23
C[NH+](C)CCCCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255017	0	51	0.0	-71.15	390.64	7.17	-63.98
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[NH+](C)C	REAL300006255026	0	51	0.0	-66.24	375.62	7.06	-59.18
O=C([O-])C12CC(CNC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)(C1)OC21CCC1	REAL300006255036	0	59	0.0	-63.55	443.51	10.16	-53.39
O=C([O-])C12CC(CNC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)(C1)OC21CCC1	REAL300006255036	1	59	0.0	-65.49	434.20	10.13	-55.36
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=NN1C1=CC=[NH+]C=C1	REAL300006255038	1	50	0.0	-77.22	399.44	6.90	-70.32
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)(C1)OC21CCC1	REAL300006255046	0	59	0.0	-75.39	444.98	10.39	-65.00
O=C([O-])C12CC(CNC(=O)C3=NOC(C[NH+]4CCCC4)=C3)(C1)OC21CCC1	REAL300006255058	1	52	0.0	-76.03	408.67	7.13	-68.90
C[NH+](C)CCC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300006255059	0	55	0.0	-77.53	425.92	9.38	-68.15
CNC1=[NH+]C(C)=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255070	1	48	0.0	-60.72	374.58	6.11	-54.61
CCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255080	0	48	0.0	-66.55	362.91	6.42	-60.13
CCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255080	1	48	0.0	-67.27	364.51	6.45	-60.82
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CCC1	REAL300006255102	0	49	0.0	-65.09	371.38	7.02	-58.07
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CCC1	REAL300006255102	1	49	0.0	-65.28	371.53	7.03	-58.25
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)CC(C)(C)C	REAL300006255130	0	54	0.0	-66.79	394.91	7.53	-59.26
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)CC(C)(C)C	REAL300006255130	1	54	0.0	-65.76	393.81	7.58	-58.18
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255132	0	55	0.0	-71.22	424.42	9.47	-61.75
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255132	1	55	0.0	-71.28	424.41	9.48	-61.80
COCCOCC[N@H+](C)CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255133	0	59	0.0	-70.00	453.44	5.66	-64.34
COCCOCC[N@@H+](C)CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255133	1	59	0.0	-71.01	453.46	5.67	-65.34
CC[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[NH+](C)C	REAL300006255137	0	48	0.0	-64.39	355.52	6.06	-58.33
C[N@@H+]1CCCC(O)(CC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006255139	0	53	0.0	-68.09	392.91	5.52	-62.57
C[N@H+]1CCCC(O)(CC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006255139	1	53	0.0	-67.62	381.31	5.23	-62.39
CCCCCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255163	0	57	0.0	-67.72	427.40	8.77	-58.95
CCCCCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255163	1	57	0.0	-67.63	427.40	8.75	-58.88
O=C([O-])C12CC(CNC(=O)C34CCC[NH+]3CCC4)(C1)OC21CCC1	REAL300006255173	0	50	0.0	-65.66	369.87	7.03	-58.63
O=C([O-])C12CC(CNC(=O)C3=CC4=C[NH+]=CN4C=C3)(C1)OC21CCC1	REAL300006255181	1	44	0.0	-73.19	355.72	8.56	-64.63
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CCSC1	REAL300006255193	0	50	0.0	-72.17	384.61	7.29	-64.88
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CCSC1	REAL300006255193	1	50	0.0	-72.48	384.62	7.26	-65.22
CC(C)[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255210	0	60	0.0	-68.47	440.84	6.27	-62.20
CC(C)N1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255210	1	60	0.0	-69.75	437.13	6.01	-63.74
CC(C)[NH+]1CCN(CCCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255211	0	63	0.0	-67.05	461.38	7.02	-60.03
CC(C)N1CC[NH+](CCCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255211	1	63	0.0	-70.31	458.63	6.82	-63.49
O=C([O-])C12CC(CNC(=O)C3CCCC4CCC[N@@H+]43)(C1)OC21CCC1	REAL300006255212	0	53	0.0	-60.52	389.81	7.92	-52.60
O=C([O-])C12CC(CNC(=O)C3CCCC4CCC[N@H+]43)(C1)OC21CCC1	REAL300006255212	1	53	0.0	-63.37	381.29	7.62	-55.75
C[NH+](C)CCN1C=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300006255214	0	52	0.0	-76.41	408.85	6.52	-69.89
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)(C1)OC21CCC1	REAL300006255225	0	58	0.0	-72.14	439.65	8.40	-63.74
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)(C1)OC21CCC1	REAL300006255225	1	58	0.0	-72.53	440.77	8.43	-64.10
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006255230	1	56	0.0	-66.07	420.18	9.53	-56.54
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[N@H+]1CCC2=CC=CC=C2C1	REAL300006255230	1	56	0.0	-67.07	419.78	9.58	-57.49
CCCC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[NH+](C)C	REAL300006255249	0	51	0.0	-65.22	377.19	6.82	-58.40
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255250	0	59	0.0	-73.81	450.24	10.28	-63.53
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255250	1	59	0.0	-73.99	450.94	10.29	-63.70
C[NH+](C)CCN1C=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300006255265	0	52	0.0	-78.87	409.97	6.54	-72.33
C[NH+](C)CCN1N=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255266	0	52	0.0	-65.93	405.04	6.50	-59.43
C[C@@H]1[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC[N@@H+]1C	REAL300006255269	0	49	0.0	-68.51	362.36	6.20	-62.31
C[C@@H]1[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC[N@H+]1C	REAL300006255269	1	49	0.0	-68.29	366.66	6.23	-62.06
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255271	1	53	0.0	-62.98	411.23	8.25	-54.73
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC[N@@H+]1C	REAL300006255274	0	52	0.0	-70.33	383.36	6.84	-63.49
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC[N@H+]1C	REAL300006255274	1	52	0.0	-67.90	387.51	7.33	-60.57
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255277	1	48	0.0	-64.68	371.97	6.85	-57.83
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255277	1	48	0.0	-64.76	376.08	7.29	-57.47
CC1C[N@H+](C)CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300006255283	1	50	0.0	-67.51	376.24	6.05	-61.46
CC1C[N@@H+](C)CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300006255283	1	50	0.0	-76.55	383.59	6.33	-70.22
O=C(C[NH+]1CCCC1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255293	0	46	0.0	-66.24	349.24	6.07	-60.17
CC1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255295	1	44	0.0	-63.47	353.11	6.62	-56.85
CC(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255297	0	53	0.0	-64.63	396.34	5.88	-58.75
CC1CC[NH+](CC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255316	0	52	0.0	-67.31	388.24	7.53	-59.78
CC[N@@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006255327	1	50	0.0	-66.74	372.76	5.97	-60.77
CC[N@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006255327	1	50	0.0	-74.56	380.67	6.17	-68.39
O=C([O-])C12CC(CNC(=O)C3CC[N@@H+](C4CCCCC4)C3)(C1)OC21CCC1	REAL300006255364	0	59	0.0	-66.59	429.25	8.95	-57.64
O=C([O-])C12CC(CNC(=O)C3CC[N@H+](C4CCCCC4)C3)(C1)OC21CCC1	REAL300006255364	1	59	0.0	-67.21	429.39	8.88	-58.33
C[N@@H+]1CCCC1CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255370	0	52	0.0	-69.34	388.29	7.36	-61.98
C[N@H+]1CCCC1CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255370	1	52	0.0	-67.82	386.65	7.07	-60.75
O=C([O-])C12CC(CNC(=O)C34CCC[NH+](CCC3)C4)(C1)OC21CCC1	REAL300006255382	0	53	0.0	-68.64	380.97	7.17	-61.47
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255384	1	50	0.0	-69.36	373.45	3.23	-66.13
C[N@H+]1CC(O)CC1(C)C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255384	1	50	0.0	-70.17	372.86	3.10	-67.07
O=C([O-])C12CC(CNC(=O)C3CCC4CCCC[N@@H+]43)(C1)OC21CCC1	REAL300006255385	0	53	0.0	-61.48	393.21	7.98	-53.50
O=C([O-])C12CC(CNC(=O)C3CCC4CCCC[N@H+]43)(C1)OC21CCC1	REAL300006255385	1	53	0.0	-62.88	385.52	7.49	-55.39
CC(C)(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255392	0	56	0.0	-66.78	406.06	6.11	-60.67
CC[NH+](CC)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255408	0	48	0.0	-65.49	361.38	6.40	-59.09
CC(C)[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255410	0	55	0.0	-69.42	404.21	7.89	-61.53
O=C([O-])C12CC(CNC(=O)C34CC[NH+](CC3)C4)(C1)OC21CCC1	REAL300006255491	0	47	0.0	-70.70	357.03	5.61	-65.09
CCC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[NH+](C)C	REAL300006255494	0	48	0.0	-64.47	355.93	6.03	-58.44
O=C([O-])C12CC(CNC(=O)C34CC[N@H+](C3)CCC4)(C1)OC21CCC1	REAL300006255502	0	50	0.0	-69.78	367.41	6.27	-63.51
O=C([O-])C12CC(CNC(=O)C34CC[N@@H+](C3)CCC4)(C1)OC21CCC1	REAL300006255502	1	50	0.0	-72.28	365.93	6.36	-65.92
CC1CCC(C)[NH+]1CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255546	0	52	0.0	-63.47	383.22	7.10	-56.37
C[NH+](C)CC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300006255547	0	52	0.0	-72.85	403.44	8.52	-64.33
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)(C1)OC21CCC1	REAL300006255548	0	59	0.0	-69.34	446.22	10.32	-59.02
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)(C1)OC21CCC1	REAL300006255548	1	59	0.0	-68.41	445.84	10.19	-58.22
C[NH+](C)C1(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CCC1	REAL300006255584	0	49	0.0	-67.16	354.43	6.51	-60.65
C#CC[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255611	0	51	0.0	-73.10	394.72	7.91	-65.19
CCC[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255613	0	55	0.0	-63.18	395.41	7.80	-55.38
CCC[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255613	1	55	0.0	-63.10	406.96	8.04	-55.06
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255614	0	52	0.0	-59.93	395.86	8.80	-51.13
CC[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255616	0	57	0.0	-69.92	422.73	5.56	-64.36
CCN1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255616	1	57	0.0	-69.81	423.89	5.70	-64.11
CC(C)[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255617	0	48	0.0	-64.10	358.10	6.21	-57.89
CC(C)[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255617	1	48	0.0	-64.77	359.70	6.23	-58.54
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[NH+]1CCCCC1	REAL300006255618	0	58	0.0	-63.49	416.80	9.04	-54.45
C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1=CC=CC=C1	REAL300006255619	1	52	0.0	-64.96	400.00	8.53	-56.43
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255627	1	53	0.0	-62.76	410.69	8.20	-54.56
C[NH+](C)CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)OC2=CC=CC=C21	REAL300006255629	0	55	0.0	-65.89	430.62	8.88	-57.01
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3C3CCCC3)(C1)OC21CCC1	REAL300006255635	0	56	0.0	-65.06	401.33	8.38	-56.68
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3C3CCCC3)(C1)OC21CCC1	REAL300006255635	1	56	0.0	-65.32	402.04	8.41	-56.91
CC[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CC1	REAL300006255637	0	49	0.0	-63.54	373.87	7.07	-56.47
CC[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CC1	REAL300006255637	1	49	0.0	-64.42	371.66	7.06	-57.36
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[NH+]1CCCCCC1	REAL300006255664	0	55	0.0	-63.75	394.51	7.54	-56.21
C[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255667	0	46	0.0	-63.48	351.21	6.01	-57.47
C[N@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255667	1	46	0.0	-65.32	344.76	5.56	-59.76
CC(C)(C)[NH2+]CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255750	0	48	0.0	-66.23	364.23	4.76	-61.47
CC[NH+](CC)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300006255752	0	55	0.0	-72.22	421.13	7.94	-64.28
O=C(CCCC[NH+]1CCCC1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255753	0	55	0.0	-69.69	416.61	8.36	-61.33
CC1=CC=C(N2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C3(CCC3)O4)CC2)[NH+]=C1	REAL300006255755	1	58	0.0	-67.01	439.31	8.12	-58.89
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)CC1=CC=CC=C1	REAL300006255756	1	52	0.0	-71.17	401.94	8.63	-62.54
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)CC1=CC=CC=C1	REAL300006255756	1	52	0.0	-70.30	400.39	8.60	-61.70
CC(C)[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2)[NH+](C)C	REAL300006255766	0	51	0.0	-64.48	369.50	6.59	-57.89
O=C([O-])C12CC(CNC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)(C1)OC21CCC1	REAL300006255784	1	47	0.0	-75.87	383.84	6.47	-69.40
C[NH+](C)CC1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=NO1	REAL300006255811	1	48	0.0	-77.49	383.36	6.01	-71.48
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255815	0	59	0.0	-71.42	446.54	10.08	-61.34
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255815	1	59	0.0	-70.97	447.04	10.11	-60.86
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255828	0	52	0.0	-61.55	382.71	7.08	-54.47
CC(C)[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255828	1	52	0.0	-61.73	382.52	7.12	-54.61
C[NH+]1CCC(OCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006255851	0	53	0.0	-74.62	405.23	7.13	-67.49
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)(C1)OC21CCC1	REAL300006255855	0	56	0.0	-72.90	431.42	8.73	-64.17
CCC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006256036	0	55	0.0	-62.91	402.56	8.35	-54.56
CCC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006256036	1	55	0.0	-67.42	408.47	8.04	-59.38
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006256066	0	55	0.0	-64.21	403.64	7.67	-56.54
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006256066	1	55	0.0	-64.34	398.58	8.30	-56.04
O=C([O-])C12CC(CNC(=O)C[NH+]3CCC(CO)CC3)(C1)OC21CCC1	REAL300006256067	1	53	0.0	-68.67	399.07	4.22	-64.45
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006256286	0	55	0.0	-65.42	403.65	7.80	-57.62
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006256286	1	55	0.0	-60.47	396.36	7.99	-52.48
C[N@@H+]1CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C(F)(F)F)C1	REAL300006256287	0	49	0.0	-76.32	389.22	6.78	-69.54
C[N@H+]1CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C(F)(F)F)C1	REAL300006256287	1	49	0.0	-73.75	387.37	6.75	-67.00
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)N1	REAL300006256312	1	50	0.0	-62.98	394.77	6.33	-56.65
C[NH+](C)CCC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300006256787	0	55	0.0	-74.10	425.93	9.36	-64.74
C[NH+](C)CCOC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300006256794	0	56	0.0	-74.99	433.22	8.32	-66.67
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006256929	0	49	0.0	-69.06	374.26	6.74	-62.32
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300006256933	0	55	0.0	-65.76	396.87	7.72	-58.04
CC1=[NH+]C=C2C=CC(C(=O)NCC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=CN21	REAL300006256937	0	47	0.0	-65.56	376.87	8.31	-57.25
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006256998	0	58	0.0	-62.91	420.36	8.97	-53.94
CC(C)C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006256998	1	58	0.0	-66.42	425.91	8.73	-57.69
CC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006256999	0	52	0.0	-62.31	380.70	7.49	-54.82
CC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006256999	1	52	0.0	-62.03	381.25	7.52	-54.51
C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006257004	0	49	0.0	-68.26	368.02	6.66	-61.60
C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006257004	1	49	0.0	-61.85	361.84	6.82	-55.03
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300006257006	1	49	0.0	-74.23	389.84	6.85	-67.38
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006257012	0	58	0.0	-71.05	414.32	8.20	-62.85
C[N@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300006257012	1	58	0.0	-73.20	408.99	7.81	-65.39
O=C([O-])C12CC(CNC(=O)C34CC(C3)C[N@@H+]4C3CC3)(C1)OC21CCC1	REAL300006257015	0	51	0.0	-64.75	382.53	7.66	-57.09
O=C([O-])C12CC(CNC(=O)C34CC(C3)C[N@H+]4C3CC3)(C1)OC21CCC1	REAL300006257015	1	51	0.0	-64.92	383.43	8.40	-56.52
CC(C)(C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300006257093	1	52	0.0	-62.19	399.54	6.41	-55.78
CC(C)(C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300006257093	1	52	0.0	-59.79	399.70	6.40	-53.39
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1(C2CCCOC2)CC1	REAL300006257265	0	48	0.0	-49.07	345.27	6.60	-42.47
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1(C2CCCOC2)CC1	REAL300006257265	1	48	0.0	-48.46	345.35	6.59	-41.87
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(N3N=CC4=CC=CC=C43)CC2)C1	REAL300006257371	0	53	0.0	-48.88	395.04	10.09	-38.79
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(N3N=CC4=CC=CC=C43)CC2)C1	REAL300006257371	1	53	0.0	-52.11	402.49	10.56	-41.55
CC(C)(C)COC1=CC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300006257494	0	60	0.0	-49.20	445.00	11.97	-37.23
CC(C)(C)COC1=CC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300006257494	1	60	0.0	-50.38	444.90	11.98	-38.40
O=C([O-])C1CCC[N@H+](CC(=O)NCC2C(F)(F)C23CCCC3)C1	REAL300006257611	0	47	0.0	-50.80	364.14	8.49	-42.31
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2C(F)(F)C23CCCC3)C1	REAL300006257611	1	47	0.0	-50.47	358.05	8.47	-42.00
CO[C@@H]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006257699	0	48	0.0	-46.84	357.68	4.06	-42.78
CO[C@@H]1CCO[C@H](CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006257699	1	48	0.0	-49.63	365.13	4.51	-45.12
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCCC23CCC3)C1	REAL300006257766	0	48	0.0	-45.34	331.58	7.55	-37.79
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCCC23CCC3)C1	REAL300006257766	1	48	0.0	-48.21	337.84	7.76	-40.45
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN(CC3=CC=C(F)C=C3)N=C2)C1	REAL300006257875	1	47	0.0	-57.17	374.55	8.99	-48.18
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN(CC3=CC=C(F)C=C3)N=C2)C1	REAL300006257875	1	47	0.0	-53.35	373.73	8.54	-44.81
CN(CC1=NN(C)C=C1Br)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006258005	0	43	0.0	-48.39	354.76	7.66	-40.73
CN(CC1=NN(C)C=C1Br)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006258005	1	43	0.0	-48.07	352.24	7.78	-40.29
CC(O)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300006258169	0	50	0.0	-46.30	358.47	5.48	-40.82
CC(O)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300006258169	1	50	0.0	-44.72	357.04	5.04	-39.68
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC3CC2CC3(F)F)C1	REAL300006258250	0	44	0.0	-52.14	328.90	7.69	-44.45
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC3CC2CC3(F)F)C1	REAL300006258250	1	44	0.0	-48.46	331.59	8.25	-40.21
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006259345	0	57	0.0	-86.33	419.29	12.63	-73.70
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006260668	0	51	0.0	-78.29	372.17	10.45	-67.84
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])CN12	REAL300006260695	1	49	0.0	-69.56	365.68	10.71	-58.85
CC1=NC(C[NH+]2CCC(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])CC2)=CS1	REAL300006260758	1	56	0.0	-46.10	422.23	10.06	-36.04
CC(C(=O)N1CC2(CCCC2)CC1C(=O)[O-])N1CC[NH+](C)CC1	REAL300006260759	1	52	0.0	-74.44	376.09	7.39	-67.05
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1	REAL300006260831	0	60	0.0	-66.45	450.27	12.12	-54.33
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006260888	0	42	0.0	-52.00	328.02	10.48	-41.52
C[NH+](C)CC1(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])CCCCC1	REAL300006260916	0	56	0.0	-61.14	367.92	10.29	-50.85
C[N@H+](CCC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1CCCCC1	REAL300006260920	0	56	0.0	-40.58	393.64	10.87	-29.71
C[N@@H+](CCC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1CCCCC1	REAL300006260920	1	56	0.0	-42.09	393.65	10.87	-31.22
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006260981	0	50	0.0	-65.77	386.74	9.64	-56.13
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006260996	0	58	0.0	-54.47	405.77	9.32	-45.15
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261023	1	48	0.0	-48.22	367.15	10.28	-37.94
O=C([O-])C1CC2(CCCC2)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300006261024	1	54	0.0	-55.54	393.60	8.87	-46.67
CC[N@H+](CC1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1)C(C)C	REAL300006261025	0	59	0.0	-59.00	413.02	11.68	-47.32
CC[N@@H+](CC1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1)C(C)C	REAL300006261025	1	59	0.0	-54.97	412.21	11.55	-43.42
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006261044	0	54	0.0	-47.12	394.85	11.53	-35.59
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006261044	1	54	0.0	-70.23	404.57	11.95	-58.28
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006261045	0	55	0.0	-83.42	401.36	11.89	-71.53
O=C([O-])C1CC2(CCCC2)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006261073	0	58	0.0	-46.39	392.86	9.22	-37.17
CCC(C(=O)N1CC2(CCCC2)CC1C(=O)[O-])[NH+](CC)CC	REAL300006261077	0	52	0.0	-54.77	360.91	9.63	-45.14
CC(C(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006261079	0	53	0.0	-30.22	386.95	11.10	-19.12
CC(C(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006261079	1	53	0.0	-64.27	392.83	11.55	-52.72
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006261087	0	60	0.0	-39.58	430.20	13.52	-26.06
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006261087	1	60	0.0	-58.77	430.39	13.39	-45.38
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=N1	REAL300006261101	0	49	0.0	-62.14	369.89	8.49	-53.65
CCC[NH+](CCC)CCCC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261108	0	58	0.0	-48.95	417.89	11.50	-37.45
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261116	1	48	0.0	-38.68	360.91	9.99	-28.69
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006261130	0	54	0.0	-56.45	396.46	11.44	-45.01
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006261135	0	57	0.0	-58.03	415.58	12.26	-45.77
CCN1CCC([NH+]2CCC(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])CC2)CC1	REAL300006261140	0	65	0.0	-81.29	451.96	10.21	-71.08
O=C([O-])C1CC2(CCCC2)CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006261159	1	58	0.0	-51.41	420.21	11.36	-40.05
O=C([O-])C1CC2(CCCC2)CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006261159	1	58	0.0	-50.86	422.95	11.82	-39.04
CC1=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006261174	1	48	0.0	-67.56	369.52	8.81	-58.75
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006261177	0	57	0.0	-62.19	416.54	12.34	-49.85
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006261188	1	50	0.0	-65.41	378.31	9.87	-55.54
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1	REAL300006261189	0	53	0.0	-64.01	395.02	11.20	-52.81
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261195	1	46	0.0	-37.83	347.52	7.88	-29.95
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006261196	1	55	0.0	-85.62	410.08	11.32	-74.30
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006261196	1	55	0.0	-60.96	399.11	11.35	-49.61
CC(C(=O)N1CC2(CCCC2)CC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006261205	0	63	0.0	-58.86	455.72	13.95	-44.91
CC(C(=O)N1CC2(CCCC2)CC1C(=O)[O-])[NH+]1CCSCC1	REAL300006261239	1	48	0.0	-34.50	352.87	9.16	-25.34
C[N@H+](CC(=O)N1CC2(CCCC2)CC1C(=O)[O-])CC(C)(C)C	REAL300006261245	0	52	0.0	-33.93	364.04	9.74	-24.19
C[N@@H+](CC(=O)N1CC2(CCCC2)CC1C(=O)[O-])CC(C)(C)C	REAL300006261245	1	52	0.0	-32.56	365.37	9.83	-22.73
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261247	0	53	0.0	-37.78	394.37	11.69	-26.09
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261247	1	53	0.0	-38.54	395.34	11.77	-26.77
COCCOCC[N@H+](C)CCC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261248	0	57	0.0	-42.77	423.37	7.90	-34.87
COCCOCC[N@@H+](C)CCC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261248	1	57	0.0	-46.59	423.41	7.92	-38.67
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006261251	0	51	0.0	-48.62	363.71	7.80	-40.82
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006261251	1	51	0.0	-50.33	352.97	7.55	-42.78
O=C([O-])C1CC2(CCCC2)CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006261261	0	62	0.0	-51.81	449.64	11.42	-40.39
CCCCCC[N@H+](C)CC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261263	0	55	0.0	-35.99	399.93	11.09	-24.90
CCCCCC[N@@H+](C)CC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261263	1	55	0.0	-36.27	399.93	11.09	-25.18
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006261277	1	42	0.0	-56.29	329.57	10.55	-45.74
C[N@H+](CC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1CCSC1	REAL300006261292	0	48	0.0	-39.63	355.97	9.47	-30.16
C[N@@H+](CC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1CCSC1	REAL300006261292	1	48	0.0	-38.58	355.54	9.56	-29.02
CC(C)[NH+]1CCN(CCC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006261305	0	58	0.0	-55.22	410.58	8.45	-46.77
CC(C)N1CC[NH+](CCC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006261305	1	58	0.0	-41.21	407.19	8.25	-32.96
CC(C)[NH+]1CCN(CCCC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006261306	0	61	0.0	-56.09	432.05	9.27	-46.82
CC(C)N1CC[NH+](CCCC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006261306	1	61	0.0	-48.90	429.00	9.09	-39.81
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300006261307	0	51	0.0	-36.62	348.49	9.35	-27.27
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300006261307	1	51	0.0	-63.14	355.20	10.01	-53.13
C[NH+](C)CCN1C=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=N1	REAL300006261309	0	50	0.0	-83.66	378.06	8.94	-74.72
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4(CCCC4)CC3C(=O)[O-])CC2)=C1	REAL300006261312	0	62	0.0	-44.12	449.54	11.28	-32.84
O=C([O-])C1CC2(CCCC2)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006261314	0	59	0.0	-44.11	428.13	10.62	-33.49
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006261316	0	56	0.0	-71.21	414.21	10.71	-60.50
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006261316	1	56	0.0	-78.18	416.01	10.81	-67.37
CC(C(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006261321	1	54	0.0	-63.46	395.68	11.96	-51.50
CC(C(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006261321	1	54	0.0	-63.61	393.92	11.79	-51.82
O=C([O-])C1CC2(CCCC2)CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006261341	0	57	0.0	-52.97	421.14	12.61	-40.36
O=C([O-])C1CC2(CCCC2)CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006261341	1	57	0.0	-50.83	421.74	12.57	-38.26
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300006261355	0	50	0.0	-59.80	374.15	9.09	-50.71
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261356	0	50	0.0	-57.12	371.22	8.47	-48.65
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261357	1	51	0.0	-42.73	381.19	10.50	-32.23
CC[C@@H]1[C@@H](C(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC[N@@H+]1C	REAL300006261360	0	50	0.0	-51.86	348.47	8.83	-43.03
CC[C@@H]1[C@@H](C(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC[N@H+]1C	REAL300006261360	1	50	0.0	-77.13	360.15	9.55	-67.58
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=NN1	REAL300006261363	1	51	0.0	-65.54	378.44	8.71	-56.83
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=NN1	REAL300006261363	1	51	0.0	-62.46	378.73	8.68	-53.78
CC1C[N@H+](C)CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])O1	REAL300006261370	1	48	0.0	-56.12	343.34	8.20	-47.92
CC1C[N@@H+](C)CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])O1	REAL300006261370	1	48	0.0	-88.13	354.56	8.49	-79.64
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006261374	0	57	0.0	-71.45	424.39	12.55	-58.90
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006261374	1	57	0.0	-79.45	427.43	12.66	-66.79
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261379	1	51	0.0	-72.14	369.04	8.02	-64.12
O=C([O-])C1CC2(CCCC2)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006261380	0	58	0.0	-44.56	425.86	10.03	-34.53
CC1CC[NH+](CC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006261390	0	50	0.0	-33.72	357.82	9.73	-23.99
CC[N@@H+]1CCOC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006261403	1	48	0.0	-57.05	341.00	8.27	-48.78
CC[N@H+]1CCOC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006261403	1	48	0.0	-86.62	350.78	8.52	-78.10
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006261435	0	57	0.0	-45.83	398.12	11.08	-34.75
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006261435	1	57	0.0	-70.40	406.46	11.34	-59.06
C[N@@H+]1CCCC1CCC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261441	0	50	0.0	-39.16	362.79	9.76	-29.40
C[N@H+]1CCCC1CCC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261441	1	50	0.0	-52.87	358.18	9.38	-43.49
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300006261453	0	51	0.0	-58.94	367.04	10.29	-48.65
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300006261453	1	51	0.0	-33.59	359.36	10.00	-23.59
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])=C2)CC1	REAL300006261467	0	59	0.0	-61.74	431.24	9.76	-51.98
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])C=C2)CC1	REAL300006261468	0	59	0.0	-67.55	431.18	9.79	-57.76
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])C=C2)CC1	REAL300006261468	1	59	0.0	-60.55	430.61	9.66	-50.89
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1	REAL300006261469	0	60	0.0	-63.33	437.70	11.50	-51.83
CC(C)[NH+]1CCC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006261477	0	53	0.0	-79.04	377.10	10.24	-68.80
O=C([O-])C1CC2(CCCC2)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300006261550	0	48	0.0	-76.56	333.59	8.39	-68.17
O=C([O-])C1CC2(CCCC2)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300006261550	1	48	0.0	-80.54	331.97	8.35	-72.19
CC1CCC(C)[NH+]1CC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261590	0	50	0.0	-33.46	353.11	9.29	-24.17
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=C1	REAL300006261591	0	50	0.0	-60.32	374.00	10.39	-49.93
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006261592	0	57	0.0	-73.05	420.53	12.54	-60.51
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006261592	1	57	0.0	-64.12	411.05	12.68	-51.44
C#CC[NH+]1CCC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006261643	0	49	0.0	-85.00	367.97	10.25	-74.75
CC[NH+]1CCN(CCC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006261645	0	55	0.0	-52.77	392.17	7.74	-45.03
CCN1CC[NH+](CCC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006261645	1	55	0.0	-40.95	393.95	7.93	-33.02
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261652	1	51	0.0	-41.07	378.89	10.39	-30.68
CC(C(=O)N1CC2(CCCC2)CC1C(=O)[O-])[NH+]1CCCCCC1	REAL300006261683	0	53	0.0	-57.77	366.49	9.79	-47.98
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])=CC=C1N2	REAL300006261717	1	55	0.0	-75.20	410.06	10.87	-64.33
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])=CC=C1N2	REAL300006261717	1	55	0.0	-71.67	410.11	10.89	-60.78
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])O1	REAL300006261760	0	53	0.0	-44.94	385.57	10.66	-34.28
O=C([O-])C1CC2(CCCC2)CN1C(=O)CCCC[NH+]1CCCC1	REAL300006261761	0	53	0.0	-54.02	385.05	10.49	-43.53
CC1=CC=C(N2CCC(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])CC2)[NH+]=C1	REAL300006261763	1	56	0.0	-77.24	412.65	10.77	-66.47
C[N@H+](CC(=O)N1CC2(CCCC2)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300006261764	1	50	0.0	-35.39	372.87	10.93	-24.46
C[N@@H+](CC(=O)N1CC2(CCCC2)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300006261764	1	50	0.0	-36.24	372.86	10.93	-25.31
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])C=C2)CC1	REAL300006261768	0	62	0.0	-66.50	440.69	10.71	-55.79
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006261784	1	45	0.0	-82.32	352.80	8.90	-73.42
C[NH+](C)CC1=CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=NO1	REAL300006261808	1	46	0.0	-66.70	351.84	8.67	-58.03
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261812	0	57	0.0	-44.38	415.55	12.44	-31.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261812	1	57	0.0	-48.58	415.42	12.09	-36.49
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261830	0	50	0.0	-59.96	358.94	9.34	-50.62
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300006261830	1	50	0.0	-61.37	359.46	9.46	-51.91
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1	REAL300006261837	0	58	0.0	-73.62	439.56	11.85	-61.77
C[NH+]1CCC(OCC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006261852	0	51	0.0	-59.85	376.05	9.50	-50.35
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006261857	0	54	0.0	-53.46	398.66	11.41	-42.05
CCC[N@@H+]1CCCC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006262005	0	53	0.0	-68.73	382.35	10.34	-58.39
CCC[N@H+]1CCCC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006262005	1	53	0.0	-74.24	383.08	10.36	-63.88
O=C([O-])C1CC2(CCCC2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006262033	0	51	0.0	-37.15	368.63	6.42	-30.73
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006262217	0	53	0.0	-58.73	366.45	10.74	-47.99
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006262217	1	53	0.0	-57.15	365.64	10.13	-47.02
C[N@@H+]1CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C(C(F)(F)F)C1	REAL300006262218	0	47	0.0	-66.54	352.47	9.12	-57.42
C[N@H+]1CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C(C(F)(F)F)C1	REAL300006262218	1	47	0.0	-53.60	342.65	8.62	-44.98
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CCCC3)CC2C(=O)[O-])N1	REAL300006262240	1	48	0.0	-40.64	366.40	8.62	-32.02
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=C1	REAL300006262637	0	53	0.0	-65.47	396.49	11.24	-54.23
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1	REAL300006262645	0	54	0.0	-65.08	402.36	10.15	-54.93
O=C([O-])C1CC2(CCCC2)CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006262738	0	60	0.0	-53.44	435.00	13.23	-40.21
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])C=C2)CCO1	REAL300006262740	1	58	0.0	-62.93	422.46	10.64	-52.29
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])C=C2)CCO1	REAL300006262740	1	58	0.0	-65.30	421.34	10.57	-54.73
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300006262770	0	53	0.0	-72.51	368.19	10.02	-62.49
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])=CN21	REAL300006262774	0	45	0.0	-47.90	349.43	10.26	-37.64
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006262824	0	56	0.0	-63.40	390.24	11.25	-52.15
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006262824	1	56	0.0	-60.26	386.63	11.43	-48.83
CC[N@@H+]1CCCC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006262825	0	50	0.0	-58.71	352.47	9.83	-48.88
CC[N@H+]1CCCC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300006262825	1	50	0.0	-59.58	350.39	10.06	-49.52
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])O1	REAL300006262831	1	47	0.0	-57.63	358.11	9.61	-48.02
O=C([O-])C1CC2(CCCC2)CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006262839	0	49	0.0	-27.65	350.23	9.73	-17.92
O=C([O-])C1CC2(CCCC2)CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006262839	1	49	0.0	-28.00	346.22	9.68	-18.32
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006263901	0	57	0.0	-53.76	412.89	12.30	-41.46
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006265224	0	51	0.0	-81.82	364.24	10.14	-71.68
CC1=[NH+]C=C2CCC(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])CN12	REAL300006265251	1	49	0.0	-45.12	361.31	9.92	-35.20
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])CC2)=CS1	REAL300006265314	1	56	0.0	-84.72	417.42	10.24	-74.48
CC(C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])N1CC[NH+](C)CC1	REAL300006265315	1	52	0.0	-77.30	363.53	7.18	-70.12
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006265387	0	60	0.0	-87.74	448.52	12.15	-75.59
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006265444	0	42	0.0	-85.03	330.41	11.32	-73.71
C[NH+](C)CC1(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CCCCC1	REAL300006265472	0	56	0.0	-87.17	364.64	10.72	-76.45
C[N@H+](CCC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300006265476	0	56	0.0	-73.41	391.84	11.14	-62.27
C[N@@H+](CCC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300006265476	1	56	0.0	-74.12	391.83	11.14	-62.98
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006265537	0	50	0.0	-57.24	374.15	9.36	-47.88
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006265552	0	58	0.0	-76.03	396.11	9.48	-66.55
CC1=[NH+]C=CN1CCCC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265579	1	48	0.0	-75.20	365.41	10.31	-64.89
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCCC[NH+]1CCOCC1	REAL300006265580	1	54	0.0	-81.90	391.69	9.13	-72.77
CC[N@H+](CC1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300006265581	0	59	0.0	-90.84	414.43	12.51	-78.33
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300006265581	1	59	0.0	-55.32	402.15	11.41	-43.91
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006265600	0	54	0.0	-74.39	397.23	11.78	-62.61
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006265600	1	54	0.0	-74.74	398.13	12.04	-62.70
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006265601	0	55	0.0	-57.46	386.00	10.54	-46.92
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006265629	0	58	0.0	-72.52	388.55	9.43	-63.09
CCC(C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[NH+](CC)CC	REAL300006265633	0	52	0.0	-62.42	355.32	9.54	-52.88
CC(C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006265635	0	53	0.0	-64.21	386.47	11.45	-52.76
CC(C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006265635	1	53	0.0	-69.97	385.83	11.65	-58.32
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006265643	0	60	0.0	-81.12	428.18	13.17	-67.95
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006265643	1	60	0.0	-45.83	436.01	13.25	-32.58
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=N1	REAL300006265657	0	49	0.0	-87.66	365.55	9.10	-78.56
CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265664	0	58	0.0	-75.83	411.40	11.50	-64.33
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265672	1	48	0.0	-64.49	360.13	10.09	-54.40
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006265686	0	54	0.0	-92.94	392.97	11.57	-81.37
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006265691	0	57	0.0	-62.55	404.71	12.09	-50.46
CCN1CCC([NH+]2CCC(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])CC2)CC1	REAL300006265696	0	65	0.0	-82.98	440.23	9.66	-73.32
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006265715	1	58	0.0	-84.47	428.98	11.92	-72.55
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006265715	1	58	0.0	-88.16	422.29	11.88	-76.28
CC1=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006265730	1	48	0.0	-87.61	362.56	9.22	-78.39
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006265733	0	57	0.0	-93.51	411.51	12.38	-81.13
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006265744	1	50	0.0	-84.32	377.06	10.04	-74.28
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006265745	0	53	0.0	-96.44	392.45	11.37	-85.07
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265751	1	46	0.0	-66.82	342.05	8.37	-58.45
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006265752	1	55	0.0	-49.98	391.79	10.84	-39.14
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006265752	1	55	0.0	-48.70	400.89	11.09	-37.61
CC(C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006265761	0	63	0.0	-65.01	443.86	13.75	-51.26
CC(C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[NH+]1CCSCC1	REAL300006265795	1	48	0.0	-65.08	345.79	9.00	-56.08
C[N@H+](CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])CC(C)(C)C	REAL300006265801	0	52	0.0	-65.11	363.37	10.05	-55.06
C[N@@H+](CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])CC(C)(C)C	REAL300006265801	1	52	0.0	-64.69	365.50	10.20	-54.49
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265803	0	53	0.0	-67.81	392.56	11.93	-55.88
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265803	1	53	0.0	-67.74	394.87	12.09	-55.65
COCCOCC[N@H+](C)CCC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265804	0	57	0.0	-72.45	421.56	8.17	-64.28
COCCOCC[N@@H+](C)CCC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265804	1	57	0.0	-75.94	421.61	8.17	-67.77
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006265807	0	51	0.0	-74.35	362.93	8.09	-66.26
C[N@H+]1CCCC(O)(CC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006265807	1	51	0.0	-69.70	364.07	7.87	-61.83
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006265817	0	62	0.0	-81.46	448.73	11.54	-69.92
CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265819	0	55	0.0	-66.49	397.15	11.26	-55.23
CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265819	1	55	0.0	-66.44	399.28	11.41	-55.03
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006265833	1	42	0.0	-86.82	330.50	11.34	-75.48
C[N@H+](CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1CCSC1	REAL300006265848	0	48	0.0	-69.67	354.04	9.60	-60.07
C[N@@H+](CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1CCSC1	REAL300006265848	1	48	0.0	-67.89	353.96	9.60	-58.29
CC(C)[NH+]1CCN(CCC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006265861	0	58	0.0	-80.53	410.05	8.56	-71.97
CC(C)N1CC[NH+](CCC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006265861	1	58	0.0	-72.25	405.28	8.51	-63.74
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006265862	0	61	0.0	-78.61	427.78	9.15	-69.46
CC(C)N1CC[NH+](CCCC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006265862	1	61	0.0	-76.36	426.28	9.27	-67.09
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300006265863	0	51	0.0	-64.69	359.29	10.00	-54.69
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300006265863	1	51	0.0	-59.58	355.61	10.20	-49.38
C[NH+](C)CCN1C=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=N1	REAL300006265865	0	50	0.0	-89.22	375.86	8.55	-80.67
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])CC2)=C1	REAL300006265868	0	62	0.0	-76.74	448.66	11.40	-65.34
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006265870	0	59	0.0	-76.08	426.22	10.88	-65.20
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006265872	0	56	0.0	-87.92	401.24	10.62	-77.30
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006265872	1	56	0.0	-48.51	409.82	10.64	-37.87
CC(C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006265877	1	54	0.0	-68.90	389.11	12.05	-56.85
CC(C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006265877	1	54	0.0	-66.98	386.23	11.85	-55.13
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006265897	0	57	0.0	-81.63	418.27	12.77	-68.86
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006265897	1	57	0.0	-81.05	420.02	12.88	-68.17
C[NH+](C)CCN1C=CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300006265911	0	50	0.0	-100.75	376.59	9.08	-91.67
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265912	0	50	0.0	-64.33	370.00	8.67	-55.66
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265913	1	51	0.0	-68.89	381.27	10.86	-58.03
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC[N@@H+]1C	REAL300006265916	0	50	0.0	-74.89	353.19	9.07	-65.82
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC[N@H+]1C	REAL300006265916	1	50	0.0	-71.04	351.23	9.37	-61.67
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=NN1	REAL300006265919	1	51	0.0	-88.41	378.35	8.93	-79.48
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=NN1	REAL300006265919	1	51	0.0	-86.92	378.80	8.91	-78.01
CC1C[N@H+](C)CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])O1	REAL300006265926	1	48	0.0	-51.07	345.77	8.29	-42.78
CC1C[N@@H+](C)CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])O1	REAL300006265926	1	48	0.0	-91.81	349.26	8.62	-83.19
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006265930	0	57	0.0	-87.63	412.74	12.45	-75.18
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006265930	1	57	0.0	-78.22	422.05	12.52	-65.70
CC(C[NH+]1CCOCC1)C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265935	1	51	0.0	-42.14	358.39	7.66	-34.48
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006265936	0	58	0.0	-75.70	423.96	10.30	-65.40
CC1CC[NH+](CC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006265946	0	50	0.0	-65.90	355.71	9.96	-55.94
CC[N@@H+]1CCOC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006265959	1	48	0.0	-88.35	344.18	8.41	-79.94
CC[N@H+]1CCOC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006265959	1	48	0.0	-78.69	338.95	8.33	-70.36
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006265991	0	57	0.0	-73.66	396.55	11.15	-62.51
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006265991	1	57	0.0	-69.86	394.35	11.26	-58.60
C[N@@H+]1CCCC1CCC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265997	0	50	0.0	-75.84	355.07	9.55	-66.29
C[N@H+]1CCCC1CCC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006265997	1	50	0.0	-74.66	356.64	9.42	-65.24
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300006266009	0	51	0.0	-63.39	356.33	10.24	-53.15
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300006266009	1	51	0.0	-62.28	359.49	10.33	-51.95
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])=C2)CC1	REAL300006266023	0	59	0.0	-87.74	428.58	9.94	-77.80
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006266024	0	59	0.0	-90.68	428.53	9.96	-80.72
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006266024	1	59	0.0	-56.78	424.71	9.62	-47.16
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006266025	0	60	0.0	-88.97	430.78	11.38	-77.59
CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006266033	0	53	0.0	-82.02	369.38	9.93	-72.09
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300006266106	0	48	0.0	-78.22	327.80	8.26	-69.96
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300006266106	1	48	0.0	-78.36	327.94	8.18	-70.18
CC1CCC(C)[NH+]1CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006266146	0	50	0.0	-66.00	341.85	8.98	-57.02
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=C1	REAL300006266147	0	50	0.0	-81.35	368.21	10.43	-70.92
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006266148	0	57	0.0	-45.50	402.03	12.47	-33.03
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006266148	1	57	0.0	-73.99	413.86	12.37	-61.62
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006266199	0	49	0.0	-84.46	360.22	9.94	-74.52
CC[NH+]1CCN(CCC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006266201	0	55	0.0	-82.24	392.80	8.01	-74.23
CCN1CC[NH+](CCC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006266201	1	55	0.0	-72.96	393.05	8.05	-64.91
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006266208	1	51	0.0	-67.56	381.01	10.85	-56.71
CC(C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[NH+]1CCCCCC1	REAL300006266239	0	53	0.0	-63.93	363.75	10.22	-53.71
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])=CC=C1N2	REAL300006266273	1	55	0.0	-103.77	404.77	10.91	-92.86
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])=CC=C1N2	REAL300006266273	1	55	0.0	-75.01	397.65	10.59	-64.42
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])O1	REAL300006266316	0	53	0.0	-87.77	390.78	10.72	-77.05
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCCC[NH+]1CCCC1	REAL300006266317	0	53	0.0	-79.58	385.77	10.72	-68.86
CC1=CC=C(N2CCC(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300006266319	1	56	0.0	-56.35	407.78	10.14	-46.21
C[N@H+](CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300006266320	1	50	0.0	-69.07	372.22	11.24	-57.83
C[N@@H+](CC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300006266320	1	50	0.0	-68.73	372.18	11.24	-57.49
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006266324	0	62	0.0	-68.26	426.99	10.41	-57.85
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006266340	1	45	0.0	-86.57	348.63	8.43	-78.14
C[NH+](C)CC1=CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=NO1	REAL300006266364	1	46	0.0	-86.21	350.82	8.84	-77.37
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006266368	0	57	0.0	-86.12	418.38	12.55	-73.57
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006266368	1	57	0.0	-74.03	411.57	12.55	-61.48
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006266386	0	50	0.0	-64.13	351.28	9.54	-54.59
CC(C)[N@H+]1CCCC1C(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300006266386	1	50	0.0	-63.90	339.59	9.24	-54.66
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006266393	0	58	0.0	-92.80	434.68	11.97	-80.83
C[NH+]1CCC(OCC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006266408	0	51	0.0	-86.99	375.58	9.80	-77.19
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006266413	0	54	0.0	-88.75	397.80	11.28	-77.47
CCC[N@@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006266561	0	53	0.0	-43.28	375.73	10.14	-33.14
CCC[N@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006266561	1	53	0.0	-72.18	372.79	10.25	-61.93
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006266589	0	51	0.0	-69.83	366.74	6.68	-63.15
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006266773	0	53	0.0	-64.35	361.72	10.20	-54.15
CC(C)[N@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006266773	1	53	0.0	-71.24	369.92	10.19	-61.05
C[N@@H+]1CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006266774	0	47	0.0	-77.68	345.78	8.99	-68.69
C[N@H+]1CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006266774	1	47	0.0	-76.75	344.00	8.92	-67.83
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])N1	REAL300006266796	1	48	0.0	-68.93	365.13	8.69	-60.24
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=C1	REAL300006267193	0	53	0.0	-87.06	391.62	11.28	-75.78
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006267201	0	54	0.0	-91.12	399.79	10.32	-80.80
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006267294	0	60	0.0	-78.95	433.09	13.49	-65.46
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300006267296	1	58	0.0	-96.29	422.06	10.63	-85.66
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300006267296	1	58	0.0	-95.52	415.41	10.60	-84.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300006267326	0	53	0.0	-76.82	361.35	9.89	-66.93
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])=CN21	REAL300006267330	0	45	0.0	-50.18	336.12	10.04	-40.14
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006267380	0	56	0.0	-45.86	390.95	10.84	-35.02
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006267380	1	56	0.0	-45.78	381.80	10.90	-34.88
CC[N@@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006267381	0	50	0.0	-64.13	347.18	9.83	-54.30
CC[N@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300006267381	1	50	0.0	-72.35	352.62	9.34	-63.01
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])O1	REAL300006267387	1	47	0.0	-91.69	354.99	9.37	-82.32
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006267395	0	49	0.0	-66.96	355.96	10.00	-56.96
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006267395	1	49	0.0	-75.32	344.85	10.87	-64.45
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CO)CC2CCOC2)C1	REAL300006267443	0	48	0.0	-48.46	357.70	3.53	-44.93
O=C([O-])C1CCC[N@H+](CC(=O)NC(CO)CC2CCOC2)C1	REAL300006267443	1	48	0.0	-48.40	353.25	2.68	-45.72
CC(C)N1C=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006267596	0	49	0.0	-45.78	373.13	7.41	-38.37
CC(C)N1C=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006267596	1	49	0.0	-46.31	373.19	7.41	-38.90
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1COC2CCCCC12	REAL300006267752	0	48	0.0	-49.72	347.82	6.42	-43.30
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1COC2CCCCC12	REAL300006267752	1	48	0.0	-46.94	343.26	6.24	-40.70
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=C(OCC(F)F)C=C1	REAL300006268968	0	51	0.0	-72.82	406.09	9.44	-63.38
O=C([O-])C(NC(=O)C1CCC[N@@H+]1C1CC1)C1=CC=C(OCC(F)F)C=C1	REAL300006268986	0	48	0.0	-59.06	393.10	8.96	-50.10
O=C([O-])C(NC(=O)C1CCC[N@H+]1C1CC1)C1=CC=C(OCC(F)F)C=C1	REAL300006268986	1	48	0.0	-62.02	389.41	8.86	-53.16
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(OCC(F)F)C=C3)CN12	REAL300006268990	1	49	0.0	-66.32	404.55	9.24	-57.08
C[NH+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269033	0	40	0.0	-64.63	336.73	6.58	-58.05
C[N@@H+]1CCCCC1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269034	0	47	0.0	-65.07	367.50	7.94	-57.13
C[N@H+]1CCCCC1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269034	1	47	0.0	-63.22	378.96	8.11	-55.11
CC(C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)N1CC[NH+](C)CC1	REAL300006269035	1	52	0.0	-74.39	407.86	6.33	-68.06
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269064	0	47	0.0	-58.98	378.95	8.11	-50.87
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269064	1	47	0.0	-61.74	369.36	8.01	-53.73
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006269104	0	47	0.0	-77.03	381.50	8.16	-68.87
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(OCC(F)F)C=C1	REAL300006269129	0	42	0.0	-74.48	366.49	10.07	-64.41
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CCCCC1	REAL300006269148	0	56	0.0	-75.71	420.07	10.96	-64.75
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CCCCC1	REAL300006269152	0	56	0.0	-70.21	434.74	10.16	-60.05
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CCCCC1	REAL300006269152	1	56	0.0	-70.45	435.33	10.11	-60.34
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269161	0	44	0.0	-66.30	356.97	7.06	-59.24
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269161	1	44	0.0	-61.13	363.40	7.52	-53.61
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006269200	0	47	0.0	-77.03	381.50	8.16	-68.87
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269231	1	48	0.0	-71.65	407.94	9.42	-62.23
C[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)[NH+](C)C	REAL300006269237	0	43	0.0	-61.43	354.62	6.99	-54.44
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269238	0	44	0.0	-65.97	356.73	7.14	-58.83
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269238	1	44	0.0	-63.64	361.80	7.64	-56.00
C[C@H](C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)[NH+](C)C	REAL300006269242	0	43	0.0	-64.49	354.75	6.99	-57.50
C[NH+](C)C1(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006269250	0	44	0.0	-69.46	357.82	7.95	-61.51
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)[NH+](CC)CC	REAL300006269305	0	52	0.0	-58.59	403.10	8.81	-49.78
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C=N1	REAL300006269322	0	49	0.0	-81.63	410.25	8.18	-73.45
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006269325	1	45	0.0	-82.43	374.34	6.97	-75.46
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006269325	1	45	0.0	-82.13	374.07	7.04	-75.09
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269334	1	48	0.0	-61.60	402.32	9.33	-52.27
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006269342	0	47	0.0	-70.88	389.88	8.24	-62.64
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269347	0	49	0.0	-77.52	402.06	8.70	-68.82
CC(C)C(C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)[NH+](C)C	REAL300006269357	0	49	0.0	-60.21	381.30	8.02	-52.19
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269373	1	46	0.0	-62.92	386.03	7.66	-55.26
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269379	0	46	0.0	-62.98	375.96	7.99	-54.99
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269379	1	46	0.0	-63.08	375.91	8.01	-55.07
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CCC1	REAL300006269396	0	47	0.0	-60.90	383.02	8.50	-52.40
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CCC1	REAL300006269396	1	47	0.0	-61.76	383.15	8.51	-53.25
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)CC(C)(C)C	REAL300006269409	0	52	0.0	-63.19	406.59	8.99	-54.20
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)CC(C)(C)C	REAL300006269409	1	52	0.0	-63.30	406.70	9.07	-54.23
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)[NH+](C)C	REAL300006269412	0	46	0.0	-62.55	367.16	7.53	-55.02
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006269414	0	51	0.0	-71.97	404.37	6.92	-65.05
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006269414	1	51	0.0	-63.13	407.23	6.87	-56.26
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269434	0	55	0.0	-64.77	440.64	10.28	-54.49
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269434	1	55	0.0	-64.14	440.45	10.33	-53.81
O=C([O-])C(NC(=O)C12CCC[NH+]1CCC2)C1=CC=C(OCC(F)F)C=C1	REAL300006269440	0	48	0.0	-70.59	381.70	8.49	-62.10
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=C(OCC(F)F)C=C1	REAL300006269447	1	42	0.0	-82.33	367.36	10.02	-72.31
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CCSC1	REAL300006269453	0	48	0.0	-66.89	397.45	8.81	-58.08
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CCSC1	REAL300006269453	1	48	0.0	-68.71	396.25	8.74	-59.97
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=C(OCC(F)F)C=C1	REAL300006269467	0	51	0.0	-57.73	401.26	9.42	-48.31
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=C(OCC(F)F)C=C1	REAL300006269467	1	51	0.0	-58.04	400.87	9.39	-48.65
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C=N1	REAL300006269468	0	50	0.0	-82.50	421.03	8.07	-74.43
CCCC(C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)[NH+](C)C	REAL300006269486	0	49	0.0	-63.89	388.75	8.34	-55.55
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=N1	REAL300006269495	0	50	0.0	-92.79	421.41	8.09	-84.70
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269496	0	50	0.0	-63.51	417.24	8.02	-55.49
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC[N@@H+]1C	REAL300006269498	0	47	0.0	-74.11	374.48	7.70	-66.41
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC[N@H+]1C	REAL300006269498	1	47	0.0	-74.48	379.19	7.80	-66.68
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269500	1	51	0.0	-65.57	422.87	9.73	-55.84
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC[N@@H+]1C	REAL300006269502	0	50	0.0	-71.93	394.16	8.18	-63.75
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC[N@H+]1C	REAL300006269502	1	50	0.0	-67.26	397.99	8.72	-58.54
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269504	1	46	0.0	-62.62	383.59	8.31	-54.31
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269504	1	46	0.0	-62.46	389.47	8.80	-53.66
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)O1	REAL300006269507	1	48	0.0	-81.79	388.12	7.71	-74.08
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)O1	REAL300006269507	1	48	0.0	-78.73	388.05	7.34	-71.39
O=C([O-])C(NC(=O)C[NH+]1CCCC1)C1=CC=C(OCC(F)F)C=C1	REAL300006269513	0	44	0.0	-62.86	360.27	7.59	-55.27
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269515	1	42	0.0	-63.36	366.40	8.13	-55.23
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269517	0	51	0.0	-69.92	407.63	7.28	-62.64
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006269535	0	50	0.0	-62.95	399.28	9.05	-53.90
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006269543	1	48	0.0	-72.19	392.14	7.62	-64.57
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006269543	1	48	0.0	-59.65	384.98	7.43	-52.22
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269566	0	50	0.0	-72.43	400.30	8.92	-63.51
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269566	1	50	0.0	-71.12	398.62	8.59	-62.53
O=C([O-])C(NC(=O)C12CCC[NH+](CCC1)C2)C1=CC=C(OCC(F)F)C=C1	REAL300006269574	0	51	0.0	-74.21	394.34	8.71	-65.50
C[N@@H+]1CC(O)CC1(C)C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269576	1	48	0.0	-73.11	384.64	4.79	-68.32
C[N@H+]1CC(O)CC1(C)C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269576	1	48	0.0	-68.52	382.51	5.07	-63.45
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=C(OCC(F)F)C=C1	REAL300006269577	0	51	0.0	-59.69	397.52	9.05	-50.64
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=C(OCC(F)F)C=C1	REAL300006269577	1	51	0.0	-63.74	398.58	8.99	-54.75
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269588	0	46	0.0	-62.42	368.29	7.66	-54.76
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006269590	0	53	0.0	-75.16	412.19	9.13	-66.03
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C1=CC=C(OCC(F)F)C=C1	REAL300006269643	0	45	0.0	-74.32	368.33	7.08	-67.24
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)[NH+](C)C	REAL300006269646	0	46	0.0	-63.12	367.37	7.51	-55.61
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=C(OCC(F)F)C=C1	REAL300006269653	0	48	0.0	-74.29	378.73	7.80	-66.49
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=C(OCC(F)F)C=C1	REAL300006269653	1	48	0.0	-81.31	377.78	7.84	-73.47
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269681	0	50	0.0	-60.98	394.06	8.53	-52.45
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=C1	REAL300006269682	0	50	0.0	-79.46	414.47	10.06	-69.40
C[NH+](C)C1(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CCC1	REAL300006269707	0	47	0.0	-60.82	370.24	8.20	-52.62
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006269723	0	49	0.0	-79.92	406.48	9.45	-70.47
CCC[N@@H+]1CCCCC1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269724	0	53	0.0	-62.38	418.21	9.52	-52.86
CCC[N@H+]1CCCCC1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269724	1	53	0.0	-61.37	408.81	9.31	-52.06
C[NH+](C)CC1=CC=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269725	0	50	0.0	-58.98	407.55	10.31	-48.67
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006269726	0	55	0.0	-76.27	434.17	7.08	-69.19
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006269726	1	55	0.0	-69.78	435.53	7.17	-62.61
CC(C)[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269727	0	46	0.0	-61.57	371.39	7.70	-53.87
CC(C)[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269727	1	46	0.0	-61.61	371.33	7.71	-53.90
CC(C)C(C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)[NH+]1CCCCC1	REAL300006269728	0	56	0.0	-60.64	425.33	9.99	-50.65
C[NH+](C)C(C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1=CC=CC=C1	REAL300006269729	1	50	0.0	-58.70	411.64	10.02	-48.68
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269734	1	51	0.0	-64.55	421.73	9.71	-54.84
O=C([O-])C(NC(=O)C1CCC[N@@H+]1C1CCCC1)C1=CC=C(OCC(F)F)C=C1	REAL300006269739	0	54	0.0	-63.16	419.91	10.04	-53.12
O=C([O-])C(NC(=O)C1CCC[N@H+]1C1CCCC1)C1=CC=C(OCC(F)F)C=C1	REAL300006269739	1	54	0.0	-67.18	413.95	10.47	-56.71
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CC1	REAL300006269741	0	47	0.0	-61.14	377.41	8.13	-53.01
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CC1	REAL300006269741	1	47	0.0	-59.45	381.21	8.31	-51.14
CC(C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)[NH+]1CCCCCC1	REAL300006269754	0	53	0.0	-58.91	406.35	8.98	-49.93
C[N@@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269757	0	44	0.0	-62.24	362.38	7.52	-54.72
C[N@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269757	1	44	0.0	-60.95	356.93	7.07	-53.88
CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269799	0	46	0.0	-61.97	375.92	6.21	-55.76
O=C([O-])C(NC(=O)CCCC[NH+]1CCCC1)C1=CC=C(OCC(F)F)C=C1	REAL300006269800	0	53	0.0	-76.10	428.25	9.82	-66.28
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)CC1=CC=CC=C1	REAL300006269802	1	50	0.0	-66.94	413.63	10.11	-56.83
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)CC1=CC=CC=C1	REAL300006269802	1	50	0.0	-66.80	413.63	10.10	-56.70
CC(C)[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)[NH+](C)C	REAL300006269809	0	49	0.0	-62.67	386.83	8.75	-53.92
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=NO1	REAL300006269832	1	46	0.0	-83.51	396.04	7.56	-75.95
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269841	0	50	0.0	-61.09	395.65	8.68	-52.41
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269841	1	50	0.0	-61.15	395.63	8.70	-52.45
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006269855	0	51	0.0	-82.74	416.92	8.60	-74.14
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006269954	0	53	0.0	-70.70	420.70	9.52	-61.18
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006269954	1	53	0.0	-70.06	420.07	9.56	-60.50
CC(C)C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269969	0	53	0.0	-62.36	421.55	9.67	-52.69
CC(C)C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300006269969	1	53	0.0	-60.83	414.80	9.21	-51.62
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=C(OCC(F)F)C=C1	REAL300006269970	1	51	0.0	-64.20	410.71	5.71	-58.49
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270100	0	53	0.0	-67.28	415.23	9.34	-57.94
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270100	1	53	0.0	-60.24	409.59	9.50	-50.74
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)N1	REAL300006270115	1	48	0.0	-65.27	406.96	7.86	-57.41
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270463	0	47	0.0	-70.67	386.46	8.30	-62.37
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300006270467	0	53	0.0	-62.16	409.24	9.21	-52.95
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270505	0	56	0.0	-59.91	428.21	10.43	-49.48
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270505	1	56	0.0	-59.91	428.21	10.43	-49.48
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270506	0	50	0.0	-70.34	399.16	8.78	-61.56
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270506	1	50	0.0	-70.34	399.16	8.78	-61.56
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270511	0	47	0.0	-70.37	381.30	8.19	-62.18
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270511	1	47	0.0	-70.37	381.30	8.19	-62.18
CN(C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)O1	REAL300006270513	0	47	0.0	-84.48	400.46	8.22	-76.26
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)O1	REAL300006270513	1	47	0.0	-84.48	400.46	8.22	-76.26
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270518	0	56	0.0	-80.57	419.03	9.26	-71.31
C[N@H+]1CCCC(C(C)(C)C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300006270518	1	56	0.0	-80.57	419.03	9.26	-71.31
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O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C(OCC(F)F)C=C1	REAL300006270521	1	49	0.0	-64.63	394.19	9.13	-55.50
COC1=CC=C(CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300006271525	0	57	0.0	-77.66	444.55	11.46	-66.20
COC1=CC=C(CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006272087	0	54	0.0	-62.82	429.36	10.87	-51.95
COC1=CC=C(CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006272087	1	54	0.0	-59.97	428.04	10.86	-49.11
COC1=CC=C(CC(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300006272927	0	51	0.0	-70.62	393.80	9.06	-61.56
COC1=CC=C(CC(NC(=O)C2CCC[N@@H+]2C2CC2)C(=O)[O-])C=C1	REAL300006272952	0	48	0.0	-62.07	374.78	8.20	-53.87
COC1=CC=C(CC(NC(=O)C2CCC[N@H+]2C2CC2)C(=O)[O-])C=C1	REAL300006272952	1	48	0.0	-57.39	368.74	7.88	-49.51
COC1=CC=C(CC(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(=O)[O-])C=C1	REAL300006272958	1	49	0.0	-62.50	391.91	8.94	-53.56
COC1=CC=C(CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006272959	0	57	0.0	-60.82	448.10	11.36	-49.46
COC1=CC=C(CC(NC(=O)C2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300006273039	0	47	0.0	-54.73	366.26	7.80	-46.93
COC1=CC=C(CC(NC(=O)C2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300006273039	1	47	0.0	-62.34	354.90	7.63	-54.71
COC1=CC=C(CC(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300006273040	1	52	0.0	-69.93	397.31	6.10	-63.83
COC1=CC=C(CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300006273080	0	47	0.0	-59.34	356.78	7.68	-51.66
COC1=CC=C(CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300006273080	1	47	0.0	-59.40	366.26	7.81	-51.59
COC1=CC=C(CC(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300006273167	0	47	0.0	-71.73	368.07	7.89	-63.84
COC1=CC=C(CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C=C1	REAL300006273197	0	42	0.0	-71.55	354.28	9.77	-61.78
COC1=CC=C(CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300006273231	0	56	0.0	-74.03	408.49	9.45	-64.58
COC1=CC=C(CC(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300006273236	0	56	0.0	-68.70	422.76	9.77	-58.93
COC1=CC=C(CC(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300006273236	1	56	0.0	-65.92	421.87	9.80	-56.12
COC1=CC=C(CC(NC(=O)C2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300006273253	0	44	0.0	-58.34	344.35	6.75	-51.59
COC1=CC=C(CC(NC(=O)C2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300006273253	1	44	0.0	-59.53	350.15	7.24	-52.29
COC1=CC=C(CC(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300006273309	0	47	0.0	-71.73	368.07	7.89	-63.84
COC1=CC=C(CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])C=C1	REAL300006273313	0	50	0.0	-85.49	413.61	8.83	-76.66
COC1=CC=C(CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C(=O)[O-])C=C1	REAL300006273333	0	57	0.0	-58.15	416.94	10.13	-48.02
COC1=CC=C(CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)C(=O)[O-])C=C1	REAL300006273333	1	57	0.0	-58.52	414.87	10.12	-48.40
COC1=CC=C(CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])C=C1	REAL300006273334	0	58	0.0	-77.16	436.01	8.47	-68.69
COC1=CC=C(CC(NC(=O)CCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300006273370	1	48	0.0	-66.45	395.26	9.10	-57.35
COC1=CC=C(CC(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300006273371	1	54	0.0	-76.14	422.62	7.77	-68.37
CC[N@H+](CC1=CC=C(C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1)C(C)C	REAL300006273374	0	59	0.0	-82.31	447.48	11.13	-71.18
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1)C(C)C	REAL300006273374	1	59	0.0	-80.60	441.82	10.86	-69.74
COC1=CC=C(CC(NC(=O)[C@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300006273377	0	44	0.0	-57.00	350.00	7.16	-49.84
COC1=CC=C(CC(NC(=O)[C@H]2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300006273377	1	44	0.0	-64.67	344.32	6.77	-57.90
COC1=CC=C(CC(NC(=O)C2([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300006273386	0	44	0.0	-72.85	344.14	7.27	-65.58
COC1=CC=C(CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300006273432	0	54	0.0	-68.47	427.67	10.66	-57.81
COC1=CC=C(CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300006273432	1	54	0.0	-66.85	427.44	10.58	-56.27
COC1=CC=C(CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])C=C1	REAL300006273433	0	55	0.0	-76.27	428.09	10.09	-66.18
COC1=CC=C(CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])C=C1	REAL300006273457	0	58	0.0	-66.45	420.20	8.07	-58.38
CCC(C(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-])[NH+](CC)CC	REAL300006273461	0	52	0.0	-54.72	386.70	8.28	-46.44
COC1=CC=C(CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006273463	0	53	0.0	-60.92	418.44	10.20	-50.72
COC1=CC=C(CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006273463	1	53	0.0	-59.66	418.99	10.27	-49.39
COC1=CC=C(CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])C=C1	REAL300006273496	0	49	0.0	-80.79	398.30	7.82	-72.97
CCC[NH+](CCC)CCCC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300006273502	0	58	0.0	-70.50	442.44	10.10	-60.40
CC[N@H+](C)C(C(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300006273503	0	53	0.0	-52.27	417.45	10.32	-41.95
CC[N@@H+](C)C(C(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300006273503	1	53	0.0	-59.73	416.88	10.34	-49.39
COC1=CC=C(CC(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1	REAL300006273505	1	45	0.0	-83.61	361.72	6.66	-76.95
COC1=CC=C(CC(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1	REAL300006273505	1	45	0.0	-52.48	353.51	6.54	-45.94
CC[NH+](CC)C(C(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300006273507	0	56	0.0	-51.32	416.54	10.22	-41.10
COC1=CC=C(CC(NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1	REAL300006273516	1	48	0.0	-58.49	389.74	9.00	-49.49
COC1=CC=C(CC(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300006273521	1	50	0.0	-56.19	415.75	10.21	-45.98
COC1=CC=C(CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])C=C1	REAL300006273534	0	54	0.0	-85.14	426.19	10.83	-74.31
COC1=CC=C(CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])C=C1	REAL300006273541	0	57	0.0	-73.89	443.77	11.61	-62.28
COC1=CC=C(CC(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300006273545	0	47	0.0	-59.61	376.14	7.96	-51.65
COC1=CC=C(CC(NC(=O)CCCC[NH+](C)C)C(=O)[O-])C=C1	REAL300006273554	0	49	0.0	-74.71	389.47	8.40	-66.31
COC1=CC=C(CC(NC(=O)C(C(C)C)[NH+](C)C)C(=O)[O-])C=C1	REAL300006273563	0	49	0.0	-65.14	371.75	8.32	-56.82
COC1=CC=C(CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006273576	0	57	0.0	-53.21	442.10	11.38	-41.83
COC1=CC=C(CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006273576	1	57	0.0	-54.36	432.68	11.22	-43.14
COC1=CC=C(CC(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C=C1	REAL300006273578	1	48	0.0	-80.09	400.05	8.09	-72.00
COC1=CC=C(CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])C=C1	REAL300006273586	0	57	0.0	-85.36	443.51	11.56	-73.80
COC1=CC=C(CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1	REAL300006273599	1	50	0.0	-75.97	406.87	8.33	-67.64
COC1=CC=C(CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300006273600	0	53	0.0	-88.84	424.73	10.61	-78.23
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300006273611	1	46	0.0	-58.33	373.35	7.35	-50.98
COC1=CC=C(CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300006273613	1	55	0.0	-70.63	420.29	9.81	-60.82
COC1=CC=C(CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300006273613	1	55	0.0	-74.18	424.80	9.95	-64.23
CCC[N@H+](C)CC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300006273622	0	46	0.0	-60.95	363.58	7.61	-53.34
CCC[N@@H+](C)CC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300006273622	1	46	0.0	-59.32	363.53	7.62	-51.70
COC1=CC=C(CC(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])C=C1	REAL300006273644	0	47	0.0	-57.59	370.41	8.17	-49.42
COC1=CC=C(CC(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])C=C1	REAL300006273644	1	47	0.0	-58.97	370.60	8.19	-50.78
COC1=CC=C(CC(NC(=O)C(C)[NH+]2CCSCC2)C(=O)[O-])C=C1	REAL300006273668	1	48	0.0	-60.12	379.66	8.06	-52.06
COC1=CC=C(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])C=C1	REAL300006273673	0	52	0.0	-58.00	393.24	8.77	-49.23
COC1=CC=C(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])C=C1	REAL300006273673	1	52	0.0	-60.69	392.19	8.60	-52.09
COC1=CC=C(CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006273675	0	53	0.0	-62.00	423.43	10.64	-51.36
COC1=CC=C(CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006273675	1	53	0.0	-62.84	423.25	10.71	-52.13
COCCOCC[N@H+](C)CCC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300006273676	0	57	0.0	-67.56	452.52	6.79	-60.77
COCCOCC[N@@H+](C)CCC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300006273676	1	57	0.0	-66.31	452.23	6.88	-59.43
CC[C@@H](C(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-])[NH+](C)C	REAL300006273680	0	46	0.0	-58.70	354.95	7.20	-51.50
COC1=CC=C(CC(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300006273682	0	51	0.0	-70.12	382.09	6.44	-63.68
COC1=CC=C(CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300006273682	1	51	0.0	-64.89	384.72	6.41	-58.48
COC1=CC=C(CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300006273703	1	56	0.0	-57.37	437.98	9.60	-47.77
COC1=CC=C(CC(NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300006273703	1	56	0.0	-61.95	437.10	9.63	-52.32
CCCCCC[N@H+](C)CC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300006273706	0	55	0.0	-59.32	427.18	9.99	-49.33
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300006273706	1	55	0.0	-61.37	427.83	10.01	-51.36
COC1=CC=C(CC(NC(=O)C23CCC[NH+]2CCC3)C(=O)[O-])C=C1	REAL300006273716	0	48	0.0	-70.70	369.08	8.20	-62.50
COC1=CC=C(CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])C=C1	REAL300006273724	1	42	0.0	-79.31	354.55	9.78	-69.53
COC1=CC=C(CC(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])C=C1	REAL300006273737	0	48	0.0	-64.68	383.69	8.42	-56.26
COC1=CC=C(CC(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])C=C1	REAL300006273737	1	48	0.0	-61.24	384.18	8.47	-52.77
COC1=CC=C(CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300006273754	0	58	0.0	-70.22	439.64	7.37	-62.85
COC1=CC=C(CC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1	REAL300006273754	1	58	0.0	-64.96	435.12	7.19	-57.77
COC1=CC=C(CC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300006273755	0	61	0.0	-69.65	456.03	7.81	-61.84
COC1=CC=C(CC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1	REAL300006273755	1	61	0.0	-70.76	457.27	8.02	-62.74
COC1=CC=C(CC(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])C=C1	REAL300006273756	0	51	0.0	-55.60	388.90	9.04	-46.56
COC1=CC=C(CC(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])C=C1	REAL300006273756	1	51	0.0	-62.30	380.54	8.76	-53.54
COC1=CC=C(CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])C=C1	REAL300006273758	0	50	0.0	-81.85	408.42	7.76	-74.09
COC1=CC=C(CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C=C1	REAL300006273769	0	56	0.0	-67.14	433.22	9.87	-57.27
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COC1=CC=C(CC(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300006273774	1	54	0.0	-61.22	419.27	10.76	-50.46
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CC[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])C1	REAL300006275577	0	50	0.0	-67.93	386.56	8.47	-59.46
CC[N@H+]1CCCC(C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])C1	REAL300006275577	1	50	0.0	-65.29	385.69	8.50	-56.79
COC1=CC=C(CC(NC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300006275582	0	47	0.0	-68.73	368.86	7.80	-60.93
COC1=CC=C(CC(NC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300006275582	1	47	0.0	-69.85	368.70	7.88	-61.97
COC1=CC=C(CC(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])C=C1	REAL300006275584	1	47	0.0	-83.93	388.93	8.02	-75.91
COC1=CC=C(CC(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300006275590	0	56	0.0	-77.23	406.71	8.88	-68.35
COC1=CC=C(CC(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300006275590	1	56	0.0	-75.73	414.28	9.31	-66.42
COC1=CC=C(CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])C=C1	REAL300006275593	1	49	0.0	-70.19	355.77	8.43	-61.76
C=CCSCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006276895	0	51	0.0	-71.00	415.21	10.86	-60.14
C=CCSCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300006277630	1	48	0.0	-49.72	392.22	9.83	-39.89
C=CCSCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300006277630	1	48	0.0	-54.13	392.15	9.80	-44.33
C=CCSCC(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300006278556	0	45	0.0	-67.12	363.62	8.62	-58.50
C=CCSCC(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300006278591	1	43	0.0	-58.41	362.50	8.50	-49.91
C=CCSCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300006278592	0	51	0.0	-60.47	417.92	10.92	-49.55
C=CCSCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300006278665	1	50	0.0	-70.87	422.94	8.67	-62.20
C=CCSCC(NC(=O)C(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300006278666	1	46	0.0	-66.20	366.82	5.65	-60.55
C=CCSCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006278751	0	54	0.0	-75.84	448.47	10.42	-65.42
C=CCSCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006278763	0	54	0.0	-76.27	448.36	12.88	-63.39
C=CCSCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006278763	1	54	0.0	-74.98	449.03	12.83	-62.15
C=CCSCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006278765	0	54	0.0	-53.99	427.92	11.40	-42.59
C=CCSCC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300006278824	0	36	0.0	-66.20	323.66	9.32	-56.88
C=CCSCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300006278855	0	50	0.0	-68.77	373.86	9.16	-59.61
C=CCSCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300006278859	0	50	0.0	-61.52	392.57	9.32	-52.20
C=CCSCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300006278859	1	50	0.0	-60.91	391.90	9.40	-51.51
C=CCSCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300006278941	0	44	0.0	-76.70	383.32	8.40	-68.30
C=CCSCC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300006278968	0	51	0.0	-52.63	391.27	9.47	-43.16
C=CCSCC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300006278968	1	51	0.0	-53.18	386.83	9.68	-43.50
C=CCSCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300006278969	0	52	0.0	-74.27	406.12	7.96	-66.31
C=CCSCC(NC(=O)CCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300006279001	1	42	0.0	-63.42	365.13	8.65	-54.77
C=CCSCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300006279002	1	48	0.0	-71.13	392.44	7.34	-63.79
C=CCSCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300006279004	0	53	0.0	-74.63	420.19	10.90	-63.73
C=CCSCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300006279004	1	53	0.0	-74.68	410.99	10.47	-64.21
C=CCSCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006279028	0	48	0.0	-63.01	397.59	10.06	-52.95
C=CCSCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006279028	1	48	0.0	-61.56	396.64	10.18	-51.38
C=CCSCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300006279029	0	49	0.0	-70.13	394.22	9.32	-60.81
C=CCSCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300006279057	1	53	0.0	-61.57	426.90	9.11	-52.46
C=CCSCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300006279058	0	52	0.0	-64.02	391.47	7.64	-56.38
C=CCSCC(NC(=O)C(CC)[NH+](CC)CC)C(=O)[O-]	REAL300006279062	0	46	0.0	-49.18	360.34	8.07	-41.11
C=CCSCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006279064	0	47	0.0	-53.66	389.15	9.72	-43.94
C=CCSCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006279064	1	47	0.0	-54.18	388.95	9.74	-44.44
C=CCSCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006279075	0	54	0.0	-53.31	430.89	11.99	-41.32
C=CCSCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006279075	1	54	0.0	-67.44	438.03	11.75	-55.69
C=CCSCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300006279101	0	43	0.0	-73.86	367.42	7.82	-66.04
C=CCSCC(NC(=O)CCC[NH+](CCC)CCC)C(=O)[O-]	REAL300006279111	0	52	0.0	-65.89	412.26	9.67	-56.22
C=CCSCC(NC(=O)C(C1=CC=CC=C1)[N@@H+](C)CC)C(=O)[O-]	REAL300006279113	0	47	0.0	-50.83	378.03	9.50	-41.33
C=CCSCC(NC(=O)C(C1=CC=CC=C1)[N@H+](C)CC)C(=O)[O-]	REAL300006279113	1	47	0.0	-48.11	386.02	9.95	-38.16
C=CCSCC(NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300006279118	0	50	0.0	-56.63	393.11	10.04	-46.59
C=CCSCC(NC(=O)CN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300006279125	1	42	0.0	-52.65	359.15	8.54	-44.11
C=CCSCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300006279128	1	44	0.0	-56.82	385.56	9.76	-47.06
C=CCSCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300006279142	0	48	0.0	-77.58	395.58	10.37	-67.21
C=CCSCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300006279149	0	51	0.0	-70.63	413.87	11.08	-59.55
C=CCSCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300006279155	0	59	0.0	-67.39	449.27	8.62	-58.77
C=CCSCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300006279162	1	55	0.0	-81.56	446.48	10.18	-71.38
C=CCSCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006279173	1	52	0.0	-74.80	421.71	10.22	-64.58
C=CCSCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006279173	1	52	0.0	-74.52	421.95	10.16	-64.36
C=CCSCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300006279189	1	51	0.0	-49.48	412.60	10.98	-38.50
C=CCSCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300006279189	1	51	0.0	-51.39	403.37	10.74	-40.65
C=CCSCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006279191	1	42	0.0	-76.98	369.92	7.64	-69.34
C=CCSCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300006279199	0	51	0.0	-79.14	413.58	11.05	-68.09
C=CCSCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300006279212	1	44	0.0	-75.47	377.81	7.78	-67.69
C=CCSCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006279213	0	47	0.0	-83.00	394.14	10.13	-72.87
C=CCSCC(NC(=O)C1=CC=C(C)[NH+]=C1NC)C(=O)[O-]	REAL300006279224	1	40	0.0	-54.88	343.47	6.83	-48.05
C=CCSCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006279225	1	49	0.0	-65.29	400.47	9.67	-55.62
C=CCSCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006279225	1	49	0.0	-66.71	401.46	9.54	-57.17
C=CCSCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006279239	0	57	0.0	-53.14	447.25	12.04	-41.10
C=CCSCC(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300006279288	0	46	0.0	-54.20	362.00	8.16	-46.04
C=CCSCC(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300006279288	1	46	0.0	-54.68	363.95	8.31	-46.37
C=CCSCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006279290	0	47	0.0	-56.66	392.63	10.25	-46.41
C=CCSCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006279290	1	47	0.0	-57.37	393.29	10.19	-47.18
C=CCSCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300006279291	0	51	0.0	-62.14	422.53	6.30	-55.84
C=CCSCC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300006279291	1	51	0.0	-62.96	422.35	6.38	-56.58
C=CCSCC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300006279295	0	45	0.0	-55.90	354.77	5.91	-49.99
C=CCSCC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300006279295	1	45	0.0	-64.89	351.91	5.99	-58.90
C=CCSCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006279305	0	56	0.0	-69.75	448.47	9.90	-59.85
C=CCSCC(NC(=O)C[N@@H+](C)CCCCCC)C(=O)[O-]	REAL300006279309	0	49	0.0	-56.41	398.12	9.44	-46.97
C=CCSCC(NC(=O)C[N@H+](C)CCCCCC)C(=O)[O-]	REAL300006279309	1	49	0.0	-56.07	397.90	9.50	-46.57
C=CCSCC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300006279323	1	36	0.0	-73.19	323.94	9.32	-63.87
C=CCSCC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300006279341	0	42	0.0	-59.07	355.12	7.92	-51.15
C=CCSCC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300006279341	1	42	0.0	-58.85	352.83	8.03	-50.82
C=CCSCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300006279356	0	52	0.0	-67.76	409.51	6.92	-60.84
C=CCSCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300006279356	1	52	0.0	-61.65	405.83	6.73	-54.92
C=CCSCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300006279357	0	55	0.0	-67.97	431.02	7.73	-60.24
C=CCSCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300006279357	1	55	0.0	-65.62	427.33	7.51	-58.11
C=CCSCC(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300006279358	0	45	0.0	-52.59	350.31	8.28	-44.31
C=CCSCC(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300006279358	1	45	0.0	-48.74	358.85	8.59	-40.15
C=CCSCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300006279360	0	44	0.0	-76.69	378.48	7.24	-69.45
C=CCSCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300006279367	0	56	0.0	-65.35	448.37	9.76	-55.59
C=CCSCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006279369	0	53	0.0	-65.11	426.98	9.09	-56.02
C=CCSCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006279372	0	50	0.0	-62.32	403.26	9.36	-52.96
C=CCSCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006279372	1	50	0.0	-59.63	404.12	9.23	-50.40
C=CCSCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006279405	0	51	0.0	-70.15	419.43	10.91	-59.24
C=CCSCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006279405	1	51	0.0	-69.24	417.12	10.92	-58.32
C=CCSCC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006279420	0	44	0.0	-82.27	378.18	7.31	-74.96
C=CCSCC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300006279421	0	44	0.0	-56.96	373.80	7.22	-49.74
C=CCSCC(NC(=O)CC(C)N1C=C[NH+]=C1CC)C(=O)[O-]	REAL300006279427	1	45	0.0	-57.48	380.11	8.96	-48.52
C=CCSCC(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(=O)[O-]	REAL300006279430	0	44	0.0	-63.28	351.11	7.42	-55.86
C=CCSCC(NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(=O)[O-]	REAL300006279430	1	44	0.0	-62.34	356.34	7.77	-54.57
C=CCSCC(NC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)[O-]	REAL300006279439	1	42	0.0	-72.75	345.76	6.99	-65.76
C=CCSCC(NC(=O)C1C[N@H+](C)CC(C)O1)C(=O)[O-]	REAL300006279439	1	42	0.0	-73.08	346.01	6.92	-66.16
C=CCSCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006279445	0	51	0.0	-62.90	414.78	11.27	-51.63
C=CCSCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006279445	1	51	0.0	-65.00	421.68	11.01	-53.99
C=CCSCC(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300006279451	0	45	0.0	-61.45	364.81	6.53	-54.92
C=CCSCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300006279452	0	52	0.0	-63.72	424.02	8.55	-55.17
C=CCSCC(NC(=O)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300006279461	1	44	0.0	-54.07	356.46	8.29	-45.78
C=CCSCC(NC(=O)C1C[N@H+](CC)CCO1)C(=O)[O-]	REAL300006279475	1	42	0.0	-65.95	349.37	6.86	-59.09
C=CCSCC(NC(=O)C1C[N@@H+](CC)CCO1)C(=O)[O-]	REAL300006279475	1	42	0.0	-50.39	342.23	6.67	-43.72
C=CCSCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300006279510	1	51	0.0	-75.60	411.70	9.18	-66.42
C=CCSCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006279511	0	51	0.0	-57.47	399.04	9.73	-47.74
C=CCSCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006279511	1	51	0.0	-63.02	399.50	9.62	-53.40
C=CCSCC(NC(=O)CCC1CCC[N@H+]1C)C(=O)[O-]	REAL300006279519	0	44	0.0	-66.69	361.32	8.31	-58.38
C=CCSCC(NC(=O)CCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300006279519	1	44	0.0	-63.80	356.34	7.71	-56.09
C=CCSCC(NC(=O)C12CCC[NH+](CCC1)C2)C(=O)[O-]	REAL300006279531	0	45	0.0	-66.63	351.57	7.95	-58.68
C=CCSCC(NC(=O)C1(C)CC(O)C[N@H+]1C)C(=O)[O-]	REAL300006279535	1	42	0.0	-55.56	343.20	3.97	-51.59
C=CCSCC(NC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)[O-]	REAL300006279535	1	42	0.0	-63.28	340.36	3.98	-59.30
C=CCSCC(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300006279536	0	45	0.0	-55.30	355.02	8.23	-47.07
C=CCSCC(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300006279536	1	45	0.0	-51.92	354.88	8.24	-43.68
C=CCSCC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300006279544	0	48	0.0	-52.72	373.49	6.87	-45.85
C=CCSCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300006279549	0	57	0.0	-67.69	443.40	9.53	-58.16
C=CCSCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300006279549	1	57	0.0	-57.29	436.54	8.99	-48.30
C=CCSCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300006279550	0	51	0.0	-65.36	399.92	7.82	-57.54
C=CCSCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300006279550	1	51	0.0	-78.33	418.18	8.58	-69.75
C=CCSCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300006279555	0	53	0.0	-73.00	431.00	8.67	-64.33
C=CCSCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300006279556	0	53	0.0	-76.91	430.06	8.48	-68.43
C=CCSCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300006279556	1	53	0.0	-79.77	430.41	8.55	-71.22
C=CCSCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300006279557	0	54	0.0	-77.92	437.31	10.39	-67.53
C=CCSCC(NC(=O)C1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300006279564	0	47	0.0	-64.02	369.40	8.36	-55.66
C=CCSCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300006279688	0	55	0.0	-81.67	444.89	8.46	-73.21
C=CCSCC(NC(=O)C[NH+]1C(C)CCC1C)C(=O)[O-]	REAL300006279693	0	44	0.0	-50.76	350.53	7.69	-43.07
C=CCSCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300006279694	0	44	0.0	-73.96	372.55	9.18	-64.78
C=CCSCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006279695	0	51	0.0	-60.94	415.55	10.87	-50.07
C=CCSCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006279695	1	51	0.0	-61.30	415.23	10.94	-50.36
C#CC[NH+]1CCC(C(=O)NC(CSCC=C)C(=O)[O-])CC1	REAL300006279762	0	43	0.0	-68.96	363.93	8.61	-60.35
C=CCSCC(NC(=O)C1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300006279764	0	47	0.0	-56.53	366.28	8.51	-48.02
C=CCSCC(NC(=O)C1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300006279764	1	47	0.0	-49.65	374.77	8.79	-40.86
C=CCSCC(NC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300006279766	0	44	0.0	-51.86	364.99	9.47	-42.39
C=CCSCC(NC(=O)CCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300006279768	0	49	0.0	-68.72	391.85	6.18	-62.54
C=CCSCC(NC(=O)CC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300006279768	1	49	0.0	-61.35	392.78	6.41	-54.94
C=CCSCC(NC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300006279770	0	50	0.0	-47.53	382.53	9.26	-38.27
C=CCSCC(NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300006279771	1	44	0.0	-50.35	368.86	9.25	-41.10
C=CCSCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006279775	0	49	0.0	-60.32	407.15	7.22	-53.10
C=CCSCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006279775	1	49	0.0	-60.18	407.49	7.22	-52.96
C=CCSCC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300006279781	1	45	0.0	-57.31	379.83	8.84	-48.47
C=CCSCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300006279782	0	47	0.0	-53.26	399.50	9.59	-43.67
C=CCSCC(NC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300006279788	0	48	0.0	-53.85	376.46	9.35	-44.50
C=CCSCC(NC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300006279788	1	48	0.0	-55.74	380.30	9.06	-46.68
C=CCSCC(NC(=O)C(C)[NH+]1CCCCCC1)C(=O)[O-]	REAL300006279817	0	47	0.0	-51.60	365.49	8.46	-43.14
C=CCSCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006279852	1	49	0.0	-79.76	407.12	9.68	-70.08
C=CCSCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006279852	1	49	0.0	-79.05	407.31	9.65	-69.40
C=CCSCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300006279910	0	47	0.0	-71.54	394.51	8.93	-62.61
C=CCSCC(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300006279911	0	47	0.0	-68.22	385.50	9.07	-59.15
C=CCSCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300006279913	1	50	0.0	-67.53	408.19	8.83	-58.70
C=CCSCC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006279914	1	44	0.0	-56.75	370.15	9.40	-47.35
C=CCSCC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006279914	1	44	0.0	-58.34	371.06	9.28	-49.06
C=CCSCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300006279918	0	56	0.0	-79.03	440.32	9.61	-69.42
C=CCSCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006279933	1	39	0.0	-75.32	353.47	7.19	-68.13
C=CCSCC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300006279962	1	40	0.0	-77.49	353.52	6.71	-70.78
C=CCSCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006279967	0	51	0.0	-66.78	418.87	10.74	-56.04
C=CCSCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006279967	1	51	0.0	-64.91	415.75	10.79	-54.12
C=CCSCC(NC(=O)C1CCC[N@H+]1C(C)C)C(=O)[O-]	REAL300006279986	0	44	0.0	-56.35	343.35	7.86	-48.49
C=CCSCC(NC(=O)C1CCC[N@@H+]1C(C)C)C(=O)[O-]	REAL300006279986	1	44	0.0	-56.97	342.98	8.18	-48.79
C=CCSCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006279992	0	52	0.0	-79.98	436.65	10.21	-69.77
C=CCSCC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300006280009	0	45	0.0	-75.02	374.36	7.77	-67.25
C=CCSCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300006280015	0	48	0.0	-72.46	398.56	9.40	-63.06
C=CCSCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300006280056	0	50	0.0	-66.22	407.93	9.00	-57.22
C=CCSCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300006280056	1	50	0.0	-61.47	406.79	9.04	-52.43
C=CCSCC(NC(=O)C1CCC[N@@H+](CCC)C1)C(=O)[O-]	REAL300006280203	0	47	0.0	-51.54	370.73	9.02	-42.52
C=CCSCC(NC(=O)C1CCC[N@H+](CCC)C1)C(=O)[O-]	REAL300006280203	1	47	0.0	-54.56	371.66	8.97	-45.59
C=CCSCC(NC(=O)C1CCC[N@H+]1CC(C)C)C(=O)[O-]	REAL300006280237	0	47	0.0	-51.40	370.58	8.41	-42.99
C=CCSCC(NC(=O)C1CCC[N@@H+]1CC(C)C)C(=O)[O-]	REAL300006280237	1	47	0.0	-52.85	378.47	8.84	-44.01
C=CCSCC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300006280238	1	45	0.0	-54.25	367.29	4.98	-49.27
C=CCSCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300006280335	0	52	0.0	-71.68	422.17	11.25	-60.43
C=CCSCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300006280335	1	52	0.0	-70.31	423.25	11.32	-58.99
C=CCSCC(NC(=O)C1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300006280462	0	47	0.0	-60.57	373.05	8.54	-52.03
C=CCSCC(NC(=O)C1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300006280462	1	47	0.0	-60.98	373.08	8.54	-52.44
C=CCSCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006280463	0	41	0.0	-61.79	357.88	7.55	-54.24
C=CCSCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006280463	1	41	0.0	-64.13	357.79	7.55	-56.58
C=CCSCC(NC(=O)CCC1=[NH+]C(C)=C(C)N1)C(=O)[O-]	REAL300006280488	1	42	0.0	-57.72	364.64	6.97	-50.75
C=CCSCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300006280967	0	47	0.0	-76.03	394.80	10.07	-65.96
C=CCSCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006280974	0	48	0.0	-78.98	401.43	9.10	-69.88
C=CCSCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006281066	0	54	0.0	-63.94	433.88	11.70	-52.24
C=CCSCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006281068	1	52	0.0	-81.26	419.68	9.40	-71.86
C=CCSCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006281068	1	52	0.0	-80.96	419.73	9.42	-71.54
C=CCSCC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300006281113	0	47	0.0	-54.47	366.47	8.45	-46.02
C=CCSCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300006281181	0	50	0.0	-61.94	395.60	9.46	-52.48
C=CCSCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300006281181	1	50	0.0	-61.94	395.60	9.46	-52.48
C=CCSCC(NC(=O)C1CCC[N@@H+](CC)C1)C(=O)[O-]	REAL300006281182	0	44	0.0	-61.26	355.74	8.08	-53.18
C=CCSCC(NC(=O)C1CCC[N@H+](CC)C1)C(=O)[O-]	REAL300006281182	1	44	0.0	-61.26	355.74	8.08	-53.18
C=CCSCC(NC(=O)C1=CC=C(CN(C)C)O1)C(=O)[O-]	REAL300006281188	0	41	0.0	-74.83	358.75	7.57	-67.26
C=CCSCC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300006281188	1	41	0.0	-74.83	358.75	7.57	-67.26
C=CCSCC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300006281194	0	50	0.0	-72.73	376.28	8.50	-64.23
C=CCSCC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300006281194	1	50	0.0	-72.73	376.28	8.50	-64.23
C=CCSCC(NC(=O)C12CC(C1)CN2C1CC1)C(=O)[O-]	REAL300006281197	0	43	0.0	-56.72	350.88	8.44	-48.28
C=CCSCC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300006281197	1	43	0.0	-60.35	344.72	8.75	-51.60
C=CCSCC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300006281197	1	43	0.0	-60.35	344.72	8.75	-51.60
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCSCC1	REAL300006281308	0	44	0.0	-48.52	333.85	8.62	-39.90
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCSCC1	REAL300006281308	1	44	0.0	-48.52	333.85	8.62	-39.90
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006282710	0	53	0.0	-90.10	408.61	12.37	-77.73
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300006283447	0	50	0.0	-76.62	385.32	11.26	-65.36
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006283447	1	50	0.0	-78.34	391.65	11.80	-66.54
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006284397	0	47	0.0	-84.05	356.97	10.01	-74.04
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300006284428	0	44	0.0	-73.87	345.25	9.68	-64.19
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C1CC1	REAL300006284428	1	44	0.0	-72.32	339.67	9.42	-62.90
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC2=C[NH+]=C(C)N2C1	REAL300006284434	1	45	0.0	-75.60	355.58	9.88	-65.72
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006284435	0	53	0.0	-75.00	412.18	12.34	-62.66
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300006284516	1	52	0.0	-85.79	414.94	10.35	-75.44
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300006284517	1	48	0.0	-78.80	358.70	7.01	-71.79
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300006284604	0	56	0.0	-88.92	441.82	11.90	-77.02
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006284617	0	56	0.0	-72.94	421.59	12.78	-60.16
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006284676	0	38	0.0	-82.03	317.24	10.61	-71.42
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300006284707	0	52	0.0	-79.74	375.78	10.52	-69.22
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300006284712	0	52	0.0	-82.95	386.17	10.74	-72.21
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300006284712	1	52	0.0	-82.84	385.47	10.69	-72.15
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006284734	1	50	0.0	-83.90	399.72	11.80	-72.10
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006284734	1	50	0.0	-76.57	391.39	11.27	-65.30
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006284790	0	46	0.0	-89.06	376.34	9.74	-79.32
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COC[C@@H](CC(=O)[O-])NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006294505	0	53	0.0	-51.94	401.53	8.66	-43.28
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COC[C@@H](CC(=O)[O-])NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006294681	0	50	0.0	-49.57	358.84	6.80	-42.77
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COC[C@@H](CC(=O)[O-])NC(=O)CCCC[NH+]1CCOCC1	REAL300006294707	1	47	0.0	-66.22	366.23	4.52	-61.70
CC[N@H+](CC1=CC=C(C(=O)N[C@@H](COC)CC(=O)[O-])C=C1)C(C)C	REAL300006294708	0	52	0.0	-76.76	387.81	7.55	-69.21
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COCC1=C(C(=O)[O-])SC(NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300006299501	1	48	0.0	-82.56	387.84	6.04	-76.52
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(COC)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300006299504	0	53	0.0	-83.05	416.24	9.56	-73.49
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(COC)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300006299504	1	53	0.0	-84.51	407.84	9.30	-75.21
COCC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300006299557	0	48	0.0	-79.87	394.29	8.88	-70.99
COCC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300006299557	1	48	0.0	-80.48	394.60	8.95	-71.53
COCC1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300006299558	0	49	0.0	-87.02	389.36	8.08	-78.94
COCC1=C(C(=O)[O-])SC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300006299582	0	52	0.0	-81.03	386.32	6.30	-74.73
CCC(C(=O)NC1=CC(COC)=C(C(=O)[O-])S1)[NH+](CC)CC	REAL300006299586	0	46	0.0	-69.27	353.05	6.90	-62.37
COCC1=C(C(=O)[O-])SC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1	REAL300006299588	1	47	0.0	-78.30	384.49	8.44	-69.86
COCC1=C(C(=O)[O-])SC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300006299588	1	47	0.0	-77.69	384.32	8.44	-69.25
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=C1	REAL300006299620	0	43	0.0	-83.04	363.50	6.08	-76.96
CCC[NH+](CCC)CCCC(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006299629	0	52	0.0	-79.25	412.14	8.66	-70.59
CC[N@H+](C)C(C(=O)NC1=CC(COC)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300006299630	1	47	0.0	-74.58	376.99	8.38	-66.20
CC[N@@H+](C)C(C(=O)NC1=CC(COC)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300006299630	1	47	0.0	-72.32	382.87	8.56	-63.76
CC[NH+](CC)C(C(=O)NC1=CC(COC)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300006299635	0	50	0.0	-74.75	388.92	8.86	-65.89
COCC1=C(C(=O)[O-])SC(NC(=O)CN2C=C[NH+]=C2C(C)C)=C1	REAL300006299644	1	42	0.0	-72.14	355.23	7.19	-64.95
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300006299662	0	48	0.0	-85.92	392.51	9.10	-76.82
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300006299669	0	51	0.0	-79.15	409.27	9.80	-69.35
COCC1=C(C(=O)[O-])SC(NC(=O)C2(C[NH+](C)C)CC2)=C1	REAL300006299675	0	41	0.0	-79.07	338.74	6.27	-72.80
COCC1=C(C(=O)[O-])SC(NC(=O)CCCC[NH+](C)C)=C1	REAL300006299684	0	43	0.0	-80.66	354.94	6.59	-74.07
COCC1=C(C(=O)[O-])SC(NC(=O)C(C(C)C)[NH+](C)C)=C1	REAL300006299693	0	43	0.0	-74.42	337.36	6.09	-68.33
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300006299706	1	51	0.0	-74.23	408.22	9.59	-64.64
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300006299706	1	51	0.0	-75.46	398.79	9.42	-66.04
COCC1=C(C(=O)[O-])SC(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300006299708	1	42	0.0	-84.51	365.32	6.34	-78.17
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300006299716	0	51	0.0	-86.24	409.25	9.81	-76.43
COCC1=C(C(=O)[O-])SC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300006299730	1	44	0.0	-81.84	374.06	6.64	-75.20
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=C1	REAL300006299731	0	47	0.0	-87.81	390.19	8.79	-79.02
CCC[N@H+](C)CC(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006299754	0	40	0.0	-77.96	328.81	5.87	-72.09
CCC[N@@H+](C)CC(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006299754	1	40	0.0	-77.99	328.81	5.87	-72.12
COCC1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)C2CCC2)=C1	REAL300006299777	0	41	0.0	-75.50	335.70	6.44	-69.06
COCC1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)C2CCC2)=C1	REAL300006299777	1	41	0.0	-75.08	335.80	6.44	-68.64
COCC1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)CC(C)(C)C)=C1	REAL300006299807	0	46	0.0	-77.64	359.36	7.00	-70.64
COCC1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)CC(C)(C)C)=C1	REAL300006299807	1	46	0.0	-77.73	357.42	6.86	-70.87
COCC1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=C1	REAL300006299809	1	47	0.0	-81.57	388.71	8.89	-72.68
COCC1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=C1	REAL300006299809	1	47	0.0	-81.60	388.72	8.89	-72.71
COCCOCC[N@H+](C)CCC(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006299810	0	51	0.0	-80.22	417.75	5.07	-75.15
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006299810	1	51	0.0	-81.41	417.76	5.08	-76.33
CC[C@@H](C(=O)NC1=CC(COC)=C(C(=O)[O-])S1)[NH+](C)C	REAL300006299814	0	40	0.0	-73.73	319.99	5.45	-68.28
COCC1=C(C(=O)[O-])SC(NC(=O)CC2(O)CCC[N@H+](C)C2)=C1	REAL300006299816	0	45	0.0	-72.37	359.88	4.71	-67.66
COCC1=C(C(=O)[O-])SC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=C1	REAL300006299816	1	45	0.0	-73.10	350.23	4.51	-68.59
CCCCCC[N@H+](C)CC(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006299839	0	49	0.0	-79.30	393.30	8.22	-71.08
CCCCCC[N@@H+](C)CC(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006299839	1	49	0.0	-79.32	393.30	8.21	-71.11
COCC1=C(C(=O)[O-])SC(NC(=O)C23CCC[NH+]2CCC3)=C1	REAL300006299849	0	42	0.0	-76.96	334.24	6.42	-70.54
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=C1	REAL300006299857	1	36	0.0	-83.84	319.98	7.97	-75.87
COCC1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)C2CCSC2)=C1	REAL300006299871	1	42	0.0	-81.98	348.85	6.71	-75.27
COCC1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)C2CCSC2)=C1	REAL300006299871	1	42	0.0	-82.78	349.07	6.69	-76.09
COCC1=C(C(=O)[O-])SC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=C1	REAL300006299887	0	52	0.0	-77.76	404.93	5.63	-72.13
COCC1=C(C(=O)[O-])SC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)=C1	REAL300006299888	0	55	0.0	-75.59	426.43	6.43	-69.16
COCC1=C(C(=O)[O-])SC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=C1	REAL300006299888	1	55	0.0	-80.35	423.25	6.26	-74.09
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300006299889	0	45	0.0	-74.40	346.19	7.00	-67.40
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300006299889	1	45	0.0	-74.29	346.36	7.02	-67.27
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)=C1	REAL300006299891	0	44	0.0	-85.10	373.86	5.96	-79.14
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=C1	REAL300006299902	0	50	0.0	-82.19	399.38	8.08	-74.11
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C1	REAL300006299902	1	50	0.0	-82.21	399.35	8.08	-74.13
CCCC(C(=O)NC1=CC(COC)=C(C(=O)[O-])S1)[NH+](C)C	REAL300006299928	0	43	0.0	-75.63	344.84	6.71	-68.92
COCC1=C(C(=O)[O-])SC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300006299929	0	51	0.0	-83.80	412.47	9.61	-74.19
COCC1=C(C(=O)[O-])SC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300006299929	1	51	0.0	-84.80	415.16	9.67	-75.13
COCC1=C(C(=O)[O-])SC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)=C1	REAL300006299944	0	44	0.0	-89.58	374.24	5.98	-83.60
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=NN2CC[NH+](C)C)=C1	REAL300006299945	0	44	0.0	-67.07	369.12	5.93	-61.14
COCC1=C(C(=O)[O-])SC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=C1	REAL300006299949	0	41	0.0	-82.54	326.17	5.43	-77.11
COCC1=C(C(=O)[O-])SC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=C1	REAL300006299949	1	41	0.0	-79.13	331.68	5.89	-73.24
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006299951	1	45	0.0	-72.64	375.54	7.67	-64.97
CC[C@@H]1[C@@H](C(=O)NC2=CC(COC)=C(C(=O)[O-])S2)CC[N@@H+]1C	REAL300006299954	0	44	0.0	-79.93	346.24	6.15	-73.78
CC[C@@H]1[C@@H](C(=O)NC2=CC(COC)=C(C(=O)[O-])S2)CC[N@H+]1C	REAL300006299954	1	44	0.0	-79.41	352.10	6.44	-72.97
COCC1=C(C(=O)[O-])SC(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)=C1	REAL300006299956	1	45	0.0	-81.15	370.64	5.05	-76.10
COCC1=C(C(=O)[O-])SC(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)=C1	REAL300006299956	1	45	0.0	-83.77	375.33	5.53	-78.24
COCC1=C(C(=O)[O-])SC(NC(=O)CN2C=C[NH+]=C2C)=C1	REAL300006299973	1	36	0.0	-72.99	319.01	6.07	-66.92
COCC1=C(C(=O)[O-])SC(NC(=O)C(C)C[NH+]2CCOCC2)=C1	REAL300006299975	1	45	0.0	-79.80	360.91	5.20	-74.60
COCC1=C(C(=O)[O-])SC(NC(=O)C[NH+]2CCC(C)CC2)=C1	REAL300006299990	1	44	0.0	-78.59	352.54	6.94	-71.65
COCC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=C1	REAL300006300040	0	51	0.0	-79.22	396.25	8.36	-70.86
COCC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=C1	REAL300006300040	1	51	0.0	-79.67	394.88	8.31	-71.36
COCC1=C(C(=O)[O-])SC(NC(=O)CCC2CCC[N@@H+]2C)=C1	REAL300006300046	0	44	0.0	-77.23	351.53	6.48	-70.75
COCC1=C(C(=O)[O-])SC(NC(=O)CCC2CCC[N@H+]2C)=C1	REAL300006300046	1	44	0.0	-81.65	356.97	6.95	-74.70
COCC1=C(C(=O)[O-])SC(NC(=O)C23CCC[NH+](CCC2)C3)=C1	REAL300006300059	0	45	0.0	-77.85	346.97	6.64	-71.21
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC3CCCC[N@@H+]32)=C1	REAL300006300062	0	45	0.0	-71.13	357.46	7.43	-63.70
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC3CCCC[N@H+]32)=C1	REAL300006300062	1	45	0.0	-73.80	350.48	6.94	-66.86
COCC1=C(C(=O)[O-])SC(NC(=O)C(C)(C)C[NH+]2CCOCC2)=C1	REAL300006300069	1	48	0.0	-75.10	370.38	5.54	-69.56
COCC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=C1	REAL300006300074	0	51	0.0	-89.88	413.61	7.26	-82.62
COCC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=C1	REAL300006300074	1	51	0.0	-90.56	405.98	6.82	-83.74
CC[NH+](CC)CC(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006300085	0	40	0.0	-75.80	325.68	5.80	-70.00
COCC1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](C(C)C)CC2)=C1	REAL300006300087	0	47	0.0	-80.20	368.46	7.30	-72.90
COCC1=C(C(=O)[O-])SC(NC(=O)C23CC[NH+](CC2)C3)=C1	REAL300006300167	0	39	0.0	-80.47	321.11	4.98	-75.49
CCC(C(=O)NC1=CC(COC)=C(C(=O)[O-])S1)[NH+](C)C	REAL300006300170	0	40	0.0	-73.46	319.82	5.46	-68.00
COCC1=C(C(=O)[O-])SC(NC(=O)C23CC[N@H+](C2)CCC3)=C1	REAL300006300178	0	42	0.0	-79.04	331.55	5.66	-73.38
COCC1=C(C(=O)[O-])SC(NC(=O)C23CC[N@@H+](C2)CCC3)=C1	REAL300006300178	1	42	0.0	-78.94	331.23	5.67	-73.27
COCC1=C(C(=O)[O-])SC(NC(=O)C[NH+]2C(C)CCC2C)=C1	REAL300006300226	0	44	0.0	-73.47	346.61	6.33	-67.14
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)=C1	REAL300006300227	0	44	0.0	-80.12	367.71	7.95	-72.17
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300006300228	0	51	0.0	-77.79	410.71	9.63	-68.16
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300006300228	1	51	0.0	-77.78	410.68	9.63	-68.15
COCC1=C(C(=O)[O-])SC(NC(=O)C2([NH+](C)C)CCC2)=C1	REAL300006300267	0	41	0.0	-79.63	322.01	5.95	-73.68
C#CC[NH+]1CCC(C(=O)NC2=CC(COC)=C(C(=O)[O-])S2)CC1	REAL300006300298	0	43	0.0	-83.48	358.81	7.26	-76.22
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006300300	1	47	0.0	-74.81	361.43	7.26	-67.55
CCC[N@H+]1CCCCC1C(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006300300	1	47	0.0	-72.34	370.87	7.43	-64.91
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC=C2C[NH+](C)C)=C1	REAL300006300301	0	44	0.0	-63.65	360.43	8.18	-55.47
CC[NH+]1CCN(CCC(=O)NC2=CC(COC)=C(C(=O)[O-])S2)CC1	REAL300006300303	0	49	0.0	-80.00	387.02	4.96	-75.04
COCC1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)C(C)C)=C1	REAL300006300304	0	40	0.0	-74.96	324.00	5.65	-69.31
COCC1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)C(C)C)=C1	REAL300006300304	1	40	0.0	-75.01	324.00	5.65	-69.36
COCC1=C(C(=O)[O-])SC(NC(=O)C(C(C)C)[NH+]2CCCCC2)=C1	REAL300006300305	0	50	0.0	-73.27	380.89	8.31	-64.96
COCC1=C(C(=O)[O-])SC(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)=C1	REAL300006300306	1	44	0.0	-73.09	364.31	7.94	-65.15
COCC1=C(C(=O)[O-])SC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300006300310	0	49	0.0	-76.04	403.45	5.89	-70.15
COCC1=C(C(=O)[O-])SC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300006300310	1	49	0.0	-77.06	402.92	5.92	-71.14
COCC1=C(C(=O)[O-])SC(NC(=O)CCN2C=C[NH+]=C2C(C)C)=C1	REAL300006300315	1	45	0.0	-72.14	374.99	7.61	-64.53
COCC1=C(C(=O)[O-])SC(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=C1	REAL300006300317	0	47	0.0	-66.59	394.84	8.30	-58.29
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=C1	REAL300006300323	0	48	0.0	-77.46	366.29	7.65	-69.81
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+]2C2CCCC2)=C1	REAL300006300323	1	48	0.0	-74.68	375.50	7.83	-66.85
CC[N@H+](CC(=O)NC1=CC(COC)=C(C(=O)[O-])S1)C1CC1	REAL300006300325	1	41	0.0	-73.57	338.18	6.49	-67.08
CC[N@@H+](CC(=O)NC1=CC(COC)=C(C(=O)[O-])S1)C1CC1	REAL300006300325	1	41	0.0	-73.28	334.38	6.21	-67.07
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COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+]2CC(C)C)=C1	REAL300006300777	1	47	0.0	-76.47	364.16	7.54	-68.93
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](C(C)C)C2)=C1	REAL300006301005	0	47	0.0	-70.25	362.22	7.45	-62.80
COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](C(C)C)C2)=C1	REAL300006301005	1	47	0.0	-75.48	368.46	7.24	-68.24
COCC1=C(C(=O)[O-])SC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=C1	REAL300006301006	0	41	0.0	-83.07	346.94	5.93	-77.14
COCC1=C(C(=O)[O-])SC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=C1	REAL300006301006	1	41	0.0	-84.92	340.39	6.68	-78.24
COCC1=C(C(=O)[O-])SC(NC(=O)CCC2=[NH+]C(C)=C(C)N2)=C1	REAL300006301032	1	42	0.0	-73.37	359.82	5.74	-67.63
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=C1	REAL300006301526	0	47	0.0	-80.76	390.19	8.79	-71.97
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=C1	REAL300006301533	0	48	0.0	-85.69	397.49	7.73	-77.96
COCC1=C(C(=O)[O-])SC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)=C1	REAL300006301671	0	41	0.0	-78.50	339.31	6.18	-72.32
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COCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](CC(C)C)C2)=C1	REAL300006301742	0	50	0.0	-76.45	390.75	8.17	-68.28
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C[N@@H+](CCC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)C1CCCCC1	REAL300006304810	1	52	0.0	-72.27	389.31	11.06	-61.21
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CC[N@H+](CC1=CC=C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C=C1)C(C)C	REAL300006304947	0	55	0.0	-75.69	407.90	12.14	-63.55
CC[N@@H+](CC1=CC=C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C=C1)C(C)C	REAL300006304947	1	55	0.0	-73.81	406.76	12.07	-61.74
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C[NH+]1CCN(C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C2=CC=CC=C2)CC1	REAL300006305023	1	55	0.0	-69.47	425.82	10.56	-58.91
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CCC(C(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)[NH+](CC)CC	REAL300006305028	0	48	0.0	-61.71	357.18	9.84	-51.87
CC(C(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)[N@H+](C)CC1=CC=CC=C1	REAL300006305030	1	49	0.0	-68.05	384.66	11.42	-56.63
CC(C(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300006305030	1	49	0.0	-68.61	385.79	11.50	-57.11
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C[NH+](C)CC1=CC=C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C=N1	REAL300006305064	0	45	0.0	-74.50	363.18	9.03	-65.47
CCC[NH+](CCC)CCCC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300006305073	0	54	0.0	-71.80	413.47	11.69	-60.11
CC[N@H+](C)C(C(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)C1=CC=CC=C1	REAL300006305075	1	49	0.0	-62.68	382.38	11.52	-51.16
CC[N@@H+](C)C(C(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)C1=CC=CC=C1	REAL300006305075	1	49	0.0	-63.55	382.78	11.53	-52.02
CC[NH+](CC)C(C(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)C1=CC=CC=C1	REAL300006305080	1	52	0.0	-65.59	390.26	11.88	-53.71
CC(C)C1=[NH+]C=CN1CC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300006305089	1	44	0.0	-63.27	354.93	10.14	-53.13
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CC(C)C(C(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)[NH+](C)C	REAL300006305140	0	45	0.0	-66.15	335.25	8.99	-57.16
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O=C([O-])C1CCC2=NC(NC(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)=NN2C1	REAL300006305142	1	54	0.0	-78.73	423.90	11.91	-66.82
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C[NH+](C)CCC1=CC=C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C=C1	REAL300006305179	0	49	0.0	-78.96	389.90	11.73	-67.23
C[N@H+](CC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)C1CCC1	REAL300006305224	1	43	0.0	-66.60	337.01	9.46	-57.14
C[N@@H+](CC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)C1CCC1	REAL300006305224	1	43	0.0	-66.07	335.51	9.39	-56.68
C[N@H+](CC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)CC(C)(C)C	REAL300006305255	0	48	0.0	-68.88	358.75	9.89	-58.99
C[N@@H+](CC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1)CC(C)(C)C	REAL300006305255	1	48	0.0	-67.88	359.06	9.94	-57.94
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300006305257	1	49	0.0	-72.15	388.41	11.83	-60.32
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300006305257	1	49	0.0	-72.32	388.69	11.85	-60.47
COCCOCC[N@H+](C)CCC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300006305258	0	53	0.0	-72.17	419.06	8.09	-64.08
COCCOCC[N@@H+](C)CCC(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300006305258	1	53	0.0	-73.12	419.08	8.10	-65.02
C[N@@H+]1CCCC(O)(CC(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C1	REAL300006305263	0	47	0.0	-66.27	351.53	7.59	-58.68
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CC(C)C[N@@H+]1CCCC(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C1	REAL300006307257	0	52	0.0	-63.71	381.74	11.30	-52.41
CC(C)C[N@H+]1CCCC(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C1	REAL300006307257	1	52	0.0	-63.71	381.74	11.30	-52.41
CC[N@@H+]1CCCC(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C1	REAL300006307258	0	46	0.0	-62.71	345.25	9.87	-52.84
CC[N@H+]1CCCC(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C1	REAL300006307258	1	46	0.0	-62.71	345.25	9.87	-52.84
C[N@@H+]1CCCC(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C1	REAL300006307262	0	43	0.0	-70.72	335.49	9.09	-61.63
C[N@H+]1CCCC(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C1	REAL300006307262	1	43	0.0	-70.72	335.49	9.09	-61.63
CN(C)CC1=CC=C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)O1	REAL300006307264	0	43	0.0	-75.30	353.04	9.14	-66.16
C[NH+](C)CC1=CC=C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)O1	REAL300006307264	1	43	0.0	-75.30	353.04	9.14	-66.16
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C1	REAL300006307270	0	52	0.0	-73.62	380.91	10.59	-63.03
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C1	REAL300006307270	1	52	0.0	-73.62	380.91	10.59	-63.03
COCCCCN(CC1=CC=CC(O)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006307409	0	57	0.0	-48.25	430.37	7.95	-40.30
COCCCCN(CC1=CC=CC(O)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006307409	1	57	0.0	-48.25	430.37	7.95	-40.30
CN1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307444	0	44	0.0	-82.14	351.51	9.01	-73.13
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307444	1	44	0.0	-82.19	360.56	9.76	-72.43
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307444	1	44	0.0	-82.19	360.56	9.76	-72.43
CN1CC[C@@H](NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307445	0	48	0.0	-89.26	383.91	9.25	-80.01
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307445	1	48	0.0	-89.03	392.26	9.96	-79.07
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307445	1	48	0.0	-89.03	392.26	9.96	-79.07
CN1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307446	0	44	0.0	-92.54	351.51	9.00	-83.54
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307446	1	44	0.0	-92.71	360.59	9.74	-82.97
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307446	1	44	0.0	-92.71	360.59	9.74	-82.97
CN1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])S2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307447	0	41	0.0	-73.60	347.12	8.14	-65.46
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])S2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307447	1	41	0.0	-73.77	355.43	8.87	-64.90
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])S2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307447	1	41	0.0	-73.77	355.43	8.87	-64.90
CN1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307448	0	43	0.0	-65.29	350.94	7.25	-58.04
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307448	1	43	0.0	-65.96	359.27	7.98	-57.98
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307448	1	43	0.0	-65.96	359.27	7.98	-57.98
C[N@@H+]1CC[C@@H](NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307449	0	50	0.0	-85.84	407.15	11.20	-74.64
CN1CC[C@@H](NC(=O)C2=CC=NC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307450	0	43	0.0	-95.25	347.59	7.23	-88.02
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=NC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307450	1	43	0.0	-95.34	356.67	8.00	-87.34
C[N@H+]1CC[C@@H](NC(=O)C2=CC=NC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307450	1	43	0.0	-95.34	356.67	8.00	-87.34
C[N@@H+]1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307451	0	48	0.0	-86.10	395.65	10.88	-75.22
CN1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307452	0	46	0.0	-83.98	381.05	9.65	-74.33
C[N@@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307452	1	46	0.0	-66.53	388.75	10.44	-56.09
C[N@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307452	1	46	0.0	-66.53	388.75	10.44	-56.09
CN1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307453	0	46	0.0	-83.98	381.05	9.65	-74.33
C[N@@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307453	1	46	0.0	-66.53	388.75	10.44	-56.09
C[N@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307453	1	46	0.0	-66.53	388.75	10.44	-56.09
CN1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307454	0	41	0.0	-67.88	339.26	7.37	-60.51
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307454	1	41	0.0	-68.26	347.58	8.09	-60.17
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307454	1	41	0.0	-68.26	347.58	8.09	-60.17
C[N@@H+]1CC[C@@H](NC(=O)CCC2=CC=CC=C2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307455	0	50	0.0	-76.65	398.23	10.93	-65.72
C[N@@H+]1CC[C@@H](NC(=O)CC2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307456	0	47	0.0	-91.93	385.15	10.44	-81.49
CN1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307457	0	41	0.0	-55.70	324.29	7.56	-48.14
C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307457	1	41	0.0	-56.75	333.10	8.33	-48.42
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307457	1	41	0.0	-56.75	333.10	8.33	-48.42
CN1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307458	0	41	0.0	-55.70	324.29	7.56	-48.14
C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307458	1	41	0.0	-56.75	333.10	8.33	-48.42
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307458	1	41	0.0	-56.75	333.10	8.33	-48.42
CN1CC[C@@H](NC(=O)C2CCCC(C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307459	0	50	0.0	-90.24	372.31	9.06	-81.18
C[N@@H+]1CC[C@@H](NC(=O)C2CCCC(C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307459	1	50	0.0	-88.22	386.72	9.94	-78.28
C[N@H+]1CC[C@@H](NC(=O)C2CCCC(C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307459	1	50	0.0	-88.22	386.72	9.94	-78.28
CN1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])N=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307460	0	43	0.0	-81.41	347.38	7.22	-74.19
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])N=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307460	1	43	0.0	-81.46	356.46	7.97	-73.49
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])N=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307460	1	43	0.0	-81.46	356.46	7.97	-73.49
CN1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307461	0	43	0.0	-70.90	350.23	7.25	-63.65
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307461	1	43	0.0	-71.02	358.54	7.97	-63.05
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307461	1	43	0.0	-71.02	358.54	7.97	-63.05
C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307462	0	49	0.0	-79.88	369.65	9.20	-70.68
CN1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2F)[C@@H]1C1=CC=C(F)C=C1	REAL300006307463	0	44	0.0	-83.05	357.37	9.06	-73.99
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2F)[C@@H]1C1=CC=C(F)C=C1	REAL300006307463	1	44	0.0	-83.01	365.13	9.81	-73.20
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2F)[C@@H]1C1=CC=C(F)C=C1	REAL300006307463	1	44	0.0	-83.01	365.13	9.81	-73.20
CN1CC[C@@H](NC(=O)C2=CN=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307464	0	42	0.0	-72.93	344.50	5.41	-67.52
C[N@@H+]1CC[C@@H](NC(=O)C2=CN=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307464	1	42	0.0	-73.10	353.55	6.18	-66.92
C[N@H+]1CC[C@@H](NC(=O)C2=CN=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307464	1	42	0.0	-73.10	353.55	6.18	-66.92
CN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307465	0	50	0.0	-80.61	377.64	9.18	-71.43
C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307465	1	50	0.0	-80.52	385.32	9.99	-70.53
C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307465	1	50	0.0	-80.52	385.32	9.99	-70.53
CN1CC[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307466	0	50	0.0	-81.28	378.83	9.22	-72.06
C[N@@H+]1CC[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307466	1	50	0.0	-81.20	387.13	9.94	-71.26
C[N@H+]1CC[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307466	1	50	0.0	-81.20	387.13	9.94	-71.26
C[N@@H+]1CC[C@@H](NC(=O)CC2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307467	0	47	0.0	-94.04	385.12	10.46	-83.58
CN1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307468	0	43	0.0	-94.82	354.59	5.64	-89.18
C[N@@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307468	1	43	0.0	-95.09	362.37	6.41	-88.68
C[N@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307468	1	43	0.0	-95.09	362.37	6.41	-88.68
CC1=NC(C(=O)N[C@@H]2CCN(C)[C@H]2C2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300006307469	0	46	0.0	-71.26	366.60	7.77	-63.49
CC1=NC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300006307469	1	46	0.0	-71.22	374.81	8.49	-62.73
CC1=NC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300006307469	1	46	0.0	-71.22	374.81	8.49	-62.73
CN1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307470	0	44	0.0	-82.14	351.51	9.01	-73.13
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307470	1	44	0.0	-82.19	360.56	9.76	-72.43
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307470	1	44	0.0	-82.19	360.56	9.76	-72.43
CN1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307471	0	47	0.0	-86.60	358.72	8.56	-78.04
C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307471	1	47	0.0	-87.60	367.81	9.37	-78.23
C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307471	1	47	0.0	-87.60	367.81	9.37	-78.23
CN1CC[C@@H](NC(=O)C2=CC=CC(CC(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307472	0	47	0.0	-84.25	375.01	9.74	-74.51
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(CC(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307472	1	47	0.0	-84.04	383.32	10.46	-73.58
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(CC(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307472	1	47	0.0	-84.04	383.32	10.46	-73.58
CN1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])OC=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307473	0	44	0.0	-80.91	353.93	7.90	-73.01
C[N@@H+]1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])OC=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307473	1	44	0.0	-81.15	363.11	8.67	-72.48
C[N@H+]1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])OC=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307473	1	44	0.0	-81.15	363.11	8.67	-72.48
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@@H]1CCN(C)[C@H]1C1=CC=C(F)C=C1	REAL300006307474	0	47	0.0	-81.91	382.14	8.52	-73.39
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(F)C=C1	REAL300006307474	1	47	0.0	-56.07	389.87	9.31	-46.76
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(F)C=C1	REAL300006307474	1	47	0.0	-56.07	389.87	9.31	-46.76
CN1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307475	0	43	0.0	-78.43	350.45	7.27	-71.16
C[N@@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307475	1	43	0.0	-78.20	358.21	8.03	-70.17
C[N@H+]1CC[C@@H](NC(=O)C2=CC(C(=O)[O-])=CC=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307475	1	43	0.0	-78.20	358.21	8.03	-70.17
CN1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)[C@@H]1C1=CC=C(F)C=C1	REAL300006307476	0	45	0.0	-79.15	356.21	8.54	-70.61
C[N@@H+]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)[C@@H]1C1=CC=C(F)C=C1	REAL300006307476	1	45	0.0	-79.73	364.45	9.28	-70.45
C[N@H+]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)[C@@H]1C1=CC=C(F)C=C1	REAL300006307476	1	45	0.0	-79.73	364.45	9.28	-70.45
CN1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307477	0	44	0.0	-59.34	339.63	7.96	-51.38
C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307477	1	44	0.0	-58.81	347.29	8.75	-50.06
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307477	1	44	0.0	-58.81	347.29	8.75	-50.06
CN1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307478	0	43	0.0	-82.24	331.27	8.24	-74.00
C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307478	1	43	0.0	-82.89	340.45	8.96	-73.93
C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307478	1	43	0.0	-82.89	340.45	8.96	-73.93
C[N@@H+]1CC[C@@H](NC(=O)CC2CCC(C(=O)[O-])CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307479	0	53	0.0	-73.44	398.24	10.48	-62.96
CN1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)C3)[C@@H]1C1=CC=C(F)C=C1	REAL300006307480	0	51	0.0	-75.33	386.64	9.38	-65.95
C[N@@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)C3)[C@@H]1C1=CC=C(F)C=C1	REAL300006307480	1	51	0.0	-77.23	394.11	10.14	-67.09
C[N@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)C3)[C@@H]1C1=CC=C(F)C=C1	REAL300006307480	1	51	0.0	-77.23	394.11	10.14	-67.09
CN1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1C1=CC=C(F)C=C1	REAL300006307481	0	54	0.0	-84.23	396.41	9.88	-74.35
C[N@@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1C1=CC=C(F)C=C1	REAL300006307481	1	54	0.0	-84.50	404.07	10.68	-73.82
C[N@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1C1=CC=C(F)C=C1	REAL300006307481	1	54	0.0	-84.50	404.07	10.68	-73.82
C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307482	0	49	0.0	-79.88	369.65	9.20	-70.68
C[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307483	0	43	0.0	-82.67	347.38	8.38	-74.29
CC(CC(=O)[O-])CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(F)C=C1	REAL300006307484	0	46	0.0	-81.87	350.93	8.06	-73.81
CN1CC[C@@H](NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)[C@@H]1C1=CC=C(F)C=C1	REAL300006307485	0	46	0.0	-80.71	374.71	8.30	-72.41
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)[C@@H]1C1=CC=C(F)C=C1	REAL300006307485	1	46	0.0	-79.35	382.44	9.06	-70.29
C[N@H+]1CC[C@@H](NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)[C@@H]1C1=CC=C(F)C=C1	REAL300006307485	1	46	0.0	-79.35	382.44	9.06	-70.29
CN1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307486	0	51	0.0	-86.67	403.65	9.70	-76.97
C[N@@H+]1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307486	1	51	0.0	-86.81	412.70	10.48	-76.33
C[N@H+]1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307486	1	51	0.0	-86.81	412.70	10.48	-76.33
CN1CC[C@@H](NC(=O)C2=NOC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307487	0	40	0.0	-69.28	333.65	6.55	-62.73
C[N@@H+]1CC[C@@H](NC(=O)C2=NOC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307487	1	40	0.0	-68.61	341.41	7.34	-61.27
C[N@H+]1CC[C@@H](NC(=O)C2=NOC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307487	1	40	0.0	-68.61	341.41	7.34	-61.27
CN1CC[C@@H](NC(=O)C2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307488	0	47	0.0	-61.74	355.08	8.51	-53.23
C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307488	1	47	0.0	-59.30	362.90	9.34	-49.96
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307488	1	47	0.0	-59.30	362.90	9.34	-49.96
CC1=C(C(=O)N[C@@H]2CCN(C)[C@H]2C2=CC=C(F)C=C2)C=C(C(=O)[O-])O1	REAL300006307489	0	44	0.0	-71.69	354.82	8.16	-63.53
CC1=C(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C2=CC=C(F)C=C2)C=C(C(=O)[O-])O1	REAL300006307489	1	44	0.0	-73.24	364.28	8.84	-64.40
CC1=C(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C2=CC=C(F)C=C2)C=C(C(=O)[O-])O1	REAL300006307489	1	44	0.0	-73.24	364.28	8.84	-64.40
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H]2CCN(C)[C@H]2C2=CC=C(F)C=C2)=C1	REAL300006307490	0	44	0.0	-68.07	357.18	7.95	-60.12
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C2=CC=C(F)C=C2)=C1	REAL300006307490	1	44	0.0	-68.44	365.48	8.68	-59.76
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C2=CC=C(F)C=C2)=C1	REAL300006307490	1	44	0.0	-68.44	365.48	8.68	-59.76
CN1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307491	0	44	0.0	-90.40	359.48	7.13	-83.27
C[N@@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307491	1	44	0.0	-90.45	367.27	7.90	-82.55
C[N@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307491	1	44	0.0	-90.45	367.27	7.90	-82.55
CN1CC[C@@H](NC(=O)C2=CC=C(C=CC(=O)[O-])O2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307492	0	45	0.0	-71.98	372.38	8.56	-63.42
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C=CC(=O)[O-])O2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307492	1	45	0.0	-72.31	380.70	9.28	-63.03
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C=CC(=O)[O-])O2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307492	1	45	0.0	-72.31	380.70	9.28	-63.03
CN1CC[C@@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307493	0	51	0.0	-54.91	385.01	9.90	-45.01
C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307493	1	51	0.0	-59.66	392.04	10.43	-49.23
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307493	1	51	0.0	-59.66	392.04	10.43	-49.23
CN1CC[C@@H](NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307494	0	48	0.0	-82.10	382.52	9.28	-72.82
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307494	1	48	0.0	-82.04	391.57	10.04	-72.00
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307494	1	48	0.0	-82.04	391.57	10.04	-72.00
C[N@@H+]1CC[C@@H](NC(=O)CCSCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307495	0	44	0.0	-78.45	370.31	8.96	-69.49
CN1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307496	0	43	0.0	-70.90	350.23	7.25	-63.65
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307496	1	43	0.0	-71.02	358.54	7.97	-63.05
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C(=O)[O-])C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307496	1	43	0.0	-71.02	358.54	7.97	-63.05
CN1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307497	0	41	0.0	-85.08	329.64	6.78	-78.30
C[N@@H+]1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307497	1	41	0.0	-84.68	339.52	7.61	-77.07
C[N@H+]1CC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307497	1	41	0.0	-84.68	339.52	7.61	-77.07
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@@H]1CCN(C)[C@H]1C1=CC=C(F)C=C1	REAL300006307498	0	44	0.0	-77.54	363.02	7.43	-70.11
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(F)C=C1	REAL300006307498	1	44	0.0	-77.74	353.97	6.66	-71.08
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(F)C=C1	REAL300006307498	1	44	0.0	-77.74	353.97	6.66	-71.08
C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(C)[C@H]2C2=CC=C(F)C=C2)O[C@H]1C(=O)[O-]	REAL300006307499	0	48	0.0	-86.04	382.86	9.28	-76.76
C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C2=CC=C(F)C=C2)O[C@H]1C(=O)[O-]	REAL300006307499	1	48	0.0	-86.22	375.02	8.48	-77.74
C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C2=CC=C(F)C=C2)O[C@H]1C(=O)[O-]	REAL300006307499	1	48	0.0	-86.22	375.02	8.48	-77.74
CN1CC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307500	0	49	0.0	-85.55	370.75	8.53	-77.02
C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307500	1	49	0.0	-85.37	379.03	9.26	-76.11
C[N@H+]1CC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307500	1	49	0.0	-85.37	379.03	9.26	-76.11
CN1CC[C@@H](NC(=O)C2=CC=C(CC(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307501	0	47	0.0	-77.98	373.70	9.76	-68.22
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(CC(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307501	1	47	0.0	-77.86	382.75	10.52	-67.34
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(CC(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307501	1	47	0.0	-77.86	382.75	10.52	-67.34
CN1CC[C@@H](NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307502	0	48	0.0	-83.81	383.60	10.28	-73.53
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307502	1	48	0.0	-87.17	392.65	11.04	-76.13
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307502	1	48	0.0	-87.17	392.65	11.04	-76.13
C[N@@H+]1CC[C@@H](NC(=O)C=CC2=CC(C(=O)[O-])=CO2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307503	0	45	0.0	-82.06	380.21	9.14	-72.92
CN1CC[C@@H](NC(=O)C2=CC=CC=C2CCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307504	0	50	0.0	-86.70	387.57	10.52	-76.18
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC=C2CCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307504	1	50	0.0	-86.10	396.54	11.24	-74.86
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC=C2CCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307504	1	50	0.0	-86.10	396.54	11.24	-74.86
CN1CC[C@@H](NC(=O)COCC2=C(C(=O)[O-])N=CO2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307505	0	47	0.0	-88.51	384.47	4.75	-83.76
C[N@@H+]1CC[C@@H](NC(=O)COCC2=C(C(=O)[O-])N=CO2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307505	1	47	0.0	-88.53	393.34	5.49	-83.04
C[N@H+]1CC[C@@H](NC(=O)COCC2=C(C(=O)[O-])N=CO2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307505	1	47	0.0	-88.53	393.34	5.49	-83.04
C[N@@H+]1CC[C@@H](NC(=O)C=CC2=CC=C(C(=O)[O-])O2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307506	0	45	0.0	-76.96	381.75	9.50	-67.46
CN1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307507	0	47	0.0	-86.60	358.72	8.56	-78.04
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C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307507	1	47	0.0	-87.60	367.81	9.37	-78.23
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C[N@@H+]1CC[C@@H](NC(=O)C2=CN=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307509	1	43	0.0	-84.39	355.81	7.97	-76.42
C[N@H+]1CC[C@@H](NC(=O)C2=CN=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307509	1	43	0.0	-84.39	355.81	7.97	-76.42
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C[N@@H+]1CC[C@@H](NC(=O)CCCN2C=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307512	0	50	0.0	-101.77	410.18	9.30	-92.47
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C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307513	1	44	0.0	-56.03	349.09	8.74	-47.29
C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307513	1	44	0.0	-56.03	349.09	8.74	-47.29
CN1CC[C@@H](NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307514	0	51	0.0	-89.93	395.12	8.91	-81.02
C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307514	1	51	0.0	-88.80	404.97	9.65	-79.15
C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307514	1	51	0.0	-88.80	404.97	9.65	-79.15
C[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307515	0	51	0.0	-81.95	403.31	8.58	-73.37
CN1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307516	0	44	0.0	-56.07	335.78	7.64	-48.43
C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307516	1	44	0.0	-56.03	349.09	8.74	-47.29
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C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307517	1	41	0.0	-82.19	334.32	8.27	-73.92
C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307517	1	41	0.0	-82.19	334.32	8.27	-73.92
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C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307519	1	52	0.0	-52.40	380.82	11.00	-41.40
C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307519	1	52	0.0	-52.40	380.82	11.00	-41.40
CCC(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(F)C=C1	REAL300006307520	0	43	0.0	-55.71	332.40	7.51	-48.20
CC(C)C(C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(F)C=C1	REAL300006307521	0	46	0.0	-60.51	351.60	7.93	-52.58
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C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307522	1	50	0.0	-78.13	373.89	10.50	-67.63
C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307522	1	50	0.0	-78.13	373.89	10.50	-67.63
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C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307524	1	41	0.0	-76.58	336.91	8.31	-68.27
C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300006307524	1	41	0.0	-76.58	336.91	8.31	-68.27
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C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307525	1	51	0.0	-56.39	404.17	11.61	-44.78
C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307525	1	51	0.0	-56.39	404.17	11.61	-44.78
CN1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307526	0	51	0.0	-86.67	403.65	9.70	-76.97
C[N@@H+]1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307526	1	51	0.0	-86.81	412.70	10.48	-76.33
C[N@H+]1CC[C@@H](NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307526	1	51	0.0	-86.81	412.70	10.48	-76.33
CN1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)[C@@H]1C1=CC=C(F)C=C1	REAL300006307527	0	51	0.0	-102.89	410.88	11.11	-91.78
C[N@@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)[C@@H]1C1=CC=C(F)C=C1	REAL300006307527	1	51	0.0	-103.49	418.55	11.88	-91.61
C[N@H+]1CC[C@@H](NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)[C@@H]1C1=CC=C(F)C=C1	REAL300006307527	1	51	0.0	-103.49	418.55	11.88	-91.61
CN1CC[C@@H](NC(=O)C2CC3(CC3C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307528	0	48	0.0	-75.45	374.89	9.38	-66.07
C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307528	1	48	0.0	-76.15	383.85	10.08	-66.07
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C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307532	1	47	0.0	-70.37	370.02	9.21	-61.16
C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307532	1	47	0.0	-70.37	370.02	9.21	-61.16
CN1CC[C@@H](NC(=O)C2=C(C(=O)[O-])SC=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300006307533	0	41	0.0	-86.23	338.78	8.95	-77.28
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CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006317246	1	53	0.0	-76.75	399.60	10.35	-66.40
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300006317264	0	54	0.0	-81.49	419.00	9.71	-71.78
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300006317282	0	50	0.0	-79.55	382.63	8.94	-70.61
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300006317313	0	52	0.0	-78.54	391.84	8.47	-70.07
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300006317313	1	52	0.0	-74.10	390.47	8.57	-65.53
O=C([O-])[C@H]1CC[C@H](NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300006317552	0	54	0.0	-81.98	406.52	10.74	-71.24
O=C([O-])[C@H]1CC[C@H](NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300006317552	1	54	0.0	-79.92	406.07	10.76	-69.16
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300006317584	1	53	0.0	-76.11	402.92	10.48	-65.63
O=C([O-])[C@H]1CC[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300006317584	1	53	0.0	-71.34	402.86	10.48	-60.86
C[N@@H+]1CC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006317667	0	43	0.0	-79.80	333.80	6.79	-73.01
C[N@H+]1CC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006317667	1	43	0.0	-82.43	340.30	7.03	-75.40
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300006318099	0	49	0.0	-77.57	377.15	9.58	-67.99
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300006318105	0	50	0.0	-81.90	384.45	8.54	-73.36
O=C([O-])[C@H]1CC[C@H](NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006318184	0	56	0.0	-75.97	415.91	11.13	-64.84
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3CC[C@H](C(=O)[O-])CC3)C=C2)CCO1	REAL300006318186	1	54	0.0	-85.32	410.07	8.97	-76.35
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3CC[C@H](C(=O)[O-])CC3)C=C2)CCO1	REAL300006318186	1	54	0.0	-84.52	402.03	8.91	-75.61
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300006318272	0	52	0.0	-66.58	371.42	9.16	-57.42
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300006318272	1	52	0.0	-66.58	371.42	9.16	-57.42
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300006318280	0	52	0.0	-76.87	358.89	7.93	-68.94
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300006318280	1	52	0.0	-76.87	358.89	7.93	-68.94
CCOCCN(CC1=CC=CC(O)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006318354	0	54	0.0	-52.29	412.13	7.73	-44.56
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2=CC=CC=C2)CC2=CC=CC=C2)C1	REAL300006318458	0	56	0.0	-49.18	422.76	12.66	-36.52
CC1(C)CC(O)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006318565	0	50	0.0	-44.96	341.35	5.46	-39.50
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CC(C3=CC=C(Cl)C=C3)C2)C1	REAL300006318676	0	50	0.0	-49.92	392.44	10.47	-39.45
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=CN=CN=C3)=C2)C1	REAL300006318861	0	45	0.0	-53.95	354.13	8.75	-45.20
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=CC=CN=C3)=C2)C1	REAL300006319075	0	46	0.0	-51.58	353.69	8.98	-42.60
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3=CC=CN=C3)=C2)C1	REAL300006319075	1	46	0.0	-52.57	359.44	8.93	-43.64
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CN=C1OC(F)F	REAL300006319227	1	43	0.0	-55.74	348.31	5.46	-50.28
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CN=C1OC(F)F	REAL300006319227	1	43	0.0	-55.10	342.87	5.48	-49.62
CC(CC1=CC=CC=C1)CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006319355	0	52	0.0	-48.15	381.94	11.36	-36.79
CC(CC1=CC=CC=C1)CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006319355	1	52	0.0	-48.02	388.70	11.40	-36.62
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NN(C)C=C1	REAL300006319446	0	46	0.0	-46.80	347.01	6.05	-40.75
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NN(C)C=C1	REAL300006319446	1	46	0.0	-51.86	344.81	6.65	-45.21
COC1=CN=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006319521	0	43	0.0	-49.28	334.10	4.94	-44.34
COC1=CN=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006319521	1	43	0.0	-50.18	340.29	4.96	-45.22
CN(CC1=CC=CC(F)=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006319621	0	43	0.0	-51.38	333.39	9.57	-41.81
CN(CC1=CC=CC(F)=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006319621	1	43	0.0	-51.02	340.34	9.59	-41.43
CN(CC1=CN(C2=CC=CC=C2)N=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006319741	0	50	0.0	-51.60	392.99	10.69	-40.91
CN(CC1=CN(C2=CC=CC=C2)N=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006319741	1	50	0.0	-51.79	394.15	10.73	-41.06
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2C2CC2(F)F)C1	REAL300006319859	0	44	0.0	-51.05	342.48	9.69	-41.36
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2C2CC2(F)F)C1	REAL300006319859	1	44	0.0	-49.06	341.66	9.24	-39.82
CN(CC1=NC=CN1C1CC1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006319961	0	47	0.0	-51.63	354.86	9.27	-42.36
CN(CC1=NC=CN1C1CC1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006319961	1	47	0.0	-49.35	354.31	9.09	-40.26
CC1=CC(C)=C([C@H](C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300006320079	0	52	0.0	-45.31	375.68	9.88	-35.43
CC1=CC(C)=C([C@H](C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300006320079	1	52	0.0	-46.40	376.35	10.35	-36.05
CN(CC1=NC2=C(CCCC2)N1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006320204	0	53	0.0	-49.15	395.03	10.15	-39.00
CN(CC1=NC2=C(CCCC2)N1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006320204	1	53	0.0	-50.04	390.71	10.11	-39.93
CC(C)N(CC1=NC=CN1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006320315	0	49	0.0	-49.56	362.81	8.86	-40.70
CC(C)N(CC1=NC=CN1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006320315	1	49	0.0	-46.52	354.31	9.48	-37.04
CCN(CC1=NC=CN1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006320392	0	46	0.0	-44.95	346.52	8.86	-36.09
CCN(CC1=NC=CN1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006320392	1	46	0.0	-52.26	344.54	8.67	-43.59
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=CC(C2=NNC3=C2COCC3)=C1	REAL300006320499	0	52	0.0	-58.85	394.74	7.16	-51.69
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=CC(C2=NNC3=C2COCC3)=C1	REAL300006320499	1	52	0.0	-55.60	399.96	7.16	-48.44
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H](C2CC2)C(F)(F)F)C1	REAL300006320577	1	40	0.0	-47.85	314.15	6.97	-40.88
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H](C2CC2)C(F)(F)F)C1	REAL300006320577	1	40	0.0	-49.78	319.66	6.94	-42.84
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H](C2CC2)C(F)(F)F)C1	REAL300006320639	1	40	0.0	-50.93	314.16	6.97	-43.96
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H](C2CC2)C(F)(F)F)C1	REAL300006320639	1	40	0.0	-49.27	312.83	6.77	-42.50
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC(C(F)F)CC1	REAL300006320743	0	49	0.0	-49.31	364.42	9.66	-39.65
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC(C(F)F)CC1	REAL300006320743	1	49	0.0	-49.78	364.32	9.67	-40.11
O=C([O-])C1(CF)CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006322110	0	50	0.0	-82.11	378.55	10.33	-71.78
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006322880	0	47	0.0	-58.22	358.64	9.51	-48.71
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006322880	1	47	0.0	-59.61	366.05	9.97	-49.64
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300006323692	1	47	0.0	-68.65	381.72	10.48	-58.17
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300006323692	1	47	0.0	-63.20	382.75	10.47	-52.73
CC1=[NH+]C=C2CCC(C(=O)N3CCC(CF)(C(=O)[O-])C3)CN12	REAL300006323785	1	42	0.0	-53.22	331.27	8.05	-45.17
O=C([O-])C1(CF)CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300006323786	0	50	0.0	-68.03	383.19	10.51	-57.52
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(CF)(C(=O)[O-])C3)CC2)=CS1	REAL300006323855	1	49	0.0	-83.51	385.68	8.07	-75.44
CC(C(=O)N1CCC(CF)(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300006323856	1	45	0.0	-76.98	329.81	5.03	-71.95
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(CF)(C(=O)[O-])C2)C=C1	REAL300006323935	0	53	0.0	-75.71	416.45	10.31	-65.40
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)=C1	REAL300006323949	0	53	0.0	-77.57	413.60	12.19	-65.38
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)=C1	REAL300006323949	1	53	0.0	-78.68	413.54	12.18	-66.50
CC1(C(=O)N2CCC(CF)(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006323950	0	53	0.0	-69.60	387.28	10.60	-59.00
C[NH+](C)CC1(C(=O)N2CCC(CF)(C(=O)[O-])C2)CCCCC1	REAL300006324033	0	49	0.0	-69.55	335.73	8.69	-60.86
C[N@H+](CCC(=O)N1CCC(CF)(C(=O)[O-])C1)C1CCCCC1	REAL300006324036	0	49	0.0	-73.15	360.80	9.17	-63.98
C[N@@H+](CCC(=O)N1CCC(CF)(C(=O)[O-])C1)C1CCCCC1	REAL300006324036	1	49	0.0	-72.73	361.28	9.19	-63.54
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300006324060	1	50	0.0	-73.59	379.38	10.40	-63.19
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300006324060	1	50	0.0	-59.17	385.09	10.56	-48.61
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300006324061	1	47	0.0	-69.62	371.40	10.03	-59.59
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300006324061	1	47	0.0	-64.07	372.43	10.01	-54.06
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300006324117	0	43	0.0	-57.65	343.07	7.50	-50.15
C[NH+](C)CCN1N=CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300006324122	0	53	0.0	-79.77	413.13	9.85	-69.92
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300006324147	0	50	0.0	-65.62	358.77	9.18	-56.44
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300006324147	1	50	0.0	-56.29	353.13	9.86	-46.43
O=C([O-])C1(CF)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300006324148	0	51	0.0	-73.44	362.80	7.23	-66.21
O=C([O-])C1(CF)CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300006324176	1	47	0.0	-79.24	359.57	7.09	-72.15
CC[N@H+](CC1=CC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C=C1)C(C)C	REAL300006324178	0	52	0.0	-74.23	382.18	10.00	-64.23
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C=C1)C(C)C	REAL300006324178	1	52	0.0	-76.89	377.40	9.81	-67.08
O=C([O-])C1(CF)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006324202	0	47	0.0	-74.74	360.73	9.72	-65.02
O=C([O-])C1(CF)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006324202	1	47	0.0	-75.63	359.78	9.60	-66.03
O=C([O-])C1(CF)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300006324203	0	48	0.0	-84.47	357.61	8.79	-75.68
C[NH+]1CCN(C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300006324227	1	52	0.0	-65.58	395.86	8.48	-57.10
O=C([O-])C1(CF)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300006324228	0	51	0.0	-67.74	360.36	7.37	-60.37
CC(C(=O)N1CCC(CF)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300006324231	0	46	0.0	-72.01	355.45	9.36	-62.65
CC(C(=O)N1CCC(CF)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006324231	1	46	0.0	-66.10	355.61	9.39	-56.71
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300006324240	0	53	0.0	-70.02	398.53	11.58	-58.44
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300006324240	1	53	0.0	-70.13	395.48	11.46	-58.67
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C=N1	REAL300006324269	0	42	0.0	-79.09	331.17	7.06	-72.03
CCC[NH+](CCC)CCCC(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324280	0	51	0.0	-74.09	379.38	9.43	-64.66
O=C([O-])C1(CF)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300006324281	1	51	0.0	-57.58	386.22	7.17	-50.41
CC[N@H+](C)C(C(=O)N1CCC(CF)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006324282	0	46	0.0	-58.59	343.77	9.16	-49.43
CC[N@@H+](C)C(C(=O)N1CCC(CF)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006324282	1	46	0.0	-54.56	351.42	9.30	-45.26
CC[NH+](CC)C(C(=O)N1CCC(CF)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006324287	0	49	0.0	-69.95	357.52	9.88	-60.07
C[NH+](C)C(C(=O)N1CCC(CF)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300006324293	1	43	0.0	-59.01	350.40	9.18	-49.83
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300006324307	0	47	0.0	-76.85	358.65	9.57	-67.28
O=C([O-])C1(CF)CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300006324314	0	50	0.0	-74.83	378.49	10.44	-64.39
CCN1CCC([NH+]2CCC(C(=O)N3CCC(CF)(C(=O)[O-])C3)CC2)CC1	REAL300006324320	0	58	0.0	-79.30	408.65	7.84	-71.46
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(CF)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300006324327	1	54	0.0	-74.04	410.75	9.38	-64.66
O=C([O-])C1(CF)CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006324337	1	51	0.0	-84.57	395.60	10.07	-74.50
O=C([O-])C1(CF)CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006324337	1	51	0.0	-81.90	389.00	10.00	-71.90
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006324351	0	50	0.0	-68.65	372.96	10.33	-58.32
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006324351	1	50	0.0	-63.69	367.55	10.09	-53.60
CC1=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300006324353	1	41	0.0	-72.64	329.23	6.86	-65.78
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300006324361	0	50	0.0	-72.69	377.40	10.35	-62.34
O=C([O-])C1(CF)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300006324373	1	43	0.0	-79.43	343.49	7.75	-71.68
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C=C1	REAL300006324374	0	46	0.0	-75.71	358.33	9.34	-66.37
O=C([O-])C1(CF)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006324384	1	48	0.0	-78.15	372.95	9.42	-68.73
O=C([O-])C1(CF)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006324384	1	48	0.0	-73.73	364.78	9.14	-64.59
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324390	0	57	0.0	-57.86	420.05	11.81	-46.05
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324390	1	57	0.0	-62.34	414.69	11.55	-50.79
CC(C(=O)N1CCC(CF)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006324398	0	56	0.0	-65.05	411.89	11.58	-53.47
CC(C(=O)N1CCC(CF)(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300006324432	1	41	0.0	-71.08	321.15	7.51	-63.57
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324439	0	46	0.0	-67.87	361.38	9.89	-57.98
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324439	1	46	0.0	-74.70	361.32	9.87	-64.83
COCCOCC[N@H+](C)CCC(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324440	0	50	0.0	-68.84	390.42	6.10	-62.74
COCCOCC[N@@H+](C)CCC(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324440	1	50	0.0	-72.69	390.44	6.11	-66.58
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(CF)(C(=O)[O-])C2)C1	REAL300006324443	0	44	0.0	-68.32	325.19	5.73	-62.59
C[N@H+]1CCCC(O)(CC(=O)N2CCC(CF)(C(=O)[O-])C2)C1	REAL300006324443	1	44	0.0	-62.68	319.29	5.79	-56.89
O=C([O-])C1(CF)CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006324451	0	55	0.0	-79.44	415.60	9.64	-69.80
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300006324452	1	49	0.0	-60.33	366.71	8.54	-51.79
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300006324452	1	49	0.0	-74.59	368.58	8.57	-66.02
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300006324453	1	49	0.0	-68.00	361.40	8.20	-59.80
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300006324453	1	49	0.0	-63.76	374.61	8.76	-55.00
CCCCCC[N@H+](C)CC(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324454	0	48	0.0	-72.51	365.91	9.19	-63.32
CCCCCC[N@@H+](C)CC(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324454	1	48	0.0	-65.60	365.97	9.22	-56.38
C[N@H+](CC(=O)N1CCC(CF)(C(=O)[O-])C1)C1CCSC1	REAL300006324479	0	41	0.0	-76.62	321.28	7.67	-68.95
C[N@@H+](CC(=O)N1CCC(CF)(C(=O)[O-])C1)C1CCSC1	REAL300006324479	1	41	0.0	-66.45	317.79	7.56	-58.89
CC(C)[NH+]1CCN(CCC(=O)N2CCC(CF)(C(=O)[O-])C2)CC1	REAL300006324490	0	51	0.0	-77.04	377.29	6.62	-70.42
CC(C)N1CC[NH+](CCC(=O)N2CCC(CF)(C(=O)[O-])C2)CC1	REAL300006324490	1	51	0.0	-73.35	374.52	6.51	-66.84
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(CF)(C(=O)[O-])C2)CC1	REAL300006324491	0	54	0.0	-69.21	399.09	7.47	-61.74
CC(C)N1CC[NH+](CCCC(=O)N2CCC(CF)(C(=O)[O-])C2)CC1	REAL300006324491	1	54	0.0	-71.24	395.59	7.26	-63.98
C[NH+](C)CCN1C=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C=N1	REAL300006324493	0	43	0.0	-81.52	339.96	6.53	-74.99
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(CF)(C(=O)[O-])C3)CC2)=C1	REAL300006324498	0	55	0.0	-77.52	416.87	9.54	-67.98
O=C([O-])C1(CF)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006324500	0	52	0.0	-77.57	395.46	8.87	-68.70
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300006324504	0	49	0.0	-63.82	376.41	8.71	-55.11
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300006324504	1	49	0.0	-84.05	365.66	8.48	-75.57
CC(C(=O)N1CCC(CF)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006324509	0	47	0.0	-65.49	356.54	9.86	-55.63
CC(C(=O)N1CCC(CF)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006324509	1	47	0.0	-65.60	359.19	9.78	-55.82
CCC(CC)C(C(=O)N1CCC(CF)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300006324524	1	53	0.0	-63.95	362.75	7.49	-56.46
O=C([O-])C1(CF)CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006324537	0	50	0.0	-73.90	385.22	10.65	-63.25
O=C([O-])C1(CF)CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006324537	1	50	0.0	-75.54	387.57	10.72	-64.82
C[NH+](C)CCN1C=CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)=N1	REAL300006324549	0	43	0.0	-91.71	343.96	7.27	-84.44
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324550	0	43	0.0	-60.08	335.70	6.58	-53.50
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324555	1	44	0.0	-64.41	348.21	8.69	-55.72
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)=NN1	REAL300006324558	1	44	0.0	-80.68	345.77	6.77	-73.91
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)=NN1	REAL300006324558	1	44	0.0	-78.89	336.58	6.14	-72.75
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300006324568	0	50	0.0	-79.42	387.54	10.53	-68.89
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300006324568	1	50	0.0	-83.78	377.20	10.40	-73.38
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300006324569	1	46	0.0	-61.17	360.50	8.34	-52.83
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300006324569	1	46	0.0	-59.18	355.72	7.74	-51.44
CC(C[NH+]1CCOCC1)C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324573	0	44	0.0	-67.78	334.22	6.05	-61.73
O=C([O-])C1(CF)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300006324574	0	51	0.0	-78.08	393.23	8.29	-69.79
O=C([O-])C1(CF)CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300006324623	0	50	0.0	-65.06	363.70	9.62	-55.44
O=C([O-])C1(CF)CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300006324623	1	50	0.0	-73.88	365.45	9.31	-64.57
O=C([O-])C1(CF)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300006324644	0	55	0.0	-79.89	412.80	9.57	-70.32
O=C([O-])C1(CF)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300006324644	1	55	0.0	-68.69	413.97	9.91	-58.78
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324651	0	47	0.0	-73.78	337.53	6.23	-67.55
CC(C)[N@@H+]1CCC(C(=O)N2CCC(CF)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006324654	0	56	0.0	-78.17	424.00	9.41	-68.76
CC(C)[N@H+]1CCC(C(=O)N2CCC(CF)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006324654	1	56	0.0	-72.97	409.34	9.09	-63.88
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(CF)(C(=O)[O-])C2)C=N1	REAL300006324655	0	50	0.0	-76.12	385.02	8.05	-68.07
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(CF)(C(=O)[O-])C2)C=N1	REAL300006324655	1	50	0.0	-76.32	361.79	7.47	-68.85
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(CF)(C(=O)[O-])C3)=C2)CC1	REAL300006324661	0	52	0.0	-80.81	395.45	7.94	-72.87
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(CF)(C(=O)[O-])C3)C=C2)CC1	REAL300006324662	0	52	0.0	-79.22	396.21	7.98	-71.24
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(CF)(C(=O)[O-])C3)C=C2)CC1	REAL300006324662	1	52	0.0	-73.48	393.90	7.80	-65.68
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C=C1	REAL300006324663	0	53	0.0	-59.77	393.21	9.21	-50.56
CC(C)[NH+]1CCC(C(=O)N2CCC(CF)(C(=O)[O-])C2)CC1	REAL300006324670	0	46	0.0	-79.66	336.44	7.98	-71.68
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300006324768	0	54	0.0	-63.70	405.32	7.53	-56.17
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)=C1	REAL300006324772	0	43	0.0	-78.74	336.91	8.59	-70.15
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006324773	0	50	0.0	-52.76	371.59	10.97	-41.79
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006324773	1	50	0.0	-70.22	379.20	10.42	-59.80
CCC[N@@H+]1CCCCC1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324830	0	46	0.0	-55.62	343.30	8.41	-47.21
CCC[N@H+]1CCCCC1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324830	1	46	0.0	-64.62	332.82	8.14	-56.48
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324832	0	43	0.0	-69.17	334.35	8.57	-60.60
CC[NH+]1CCN(CCC(=O)N2CCC(CF)(C(=O)[O-])C2)CC1	REAL300006324834	0	48	0.0	-78.59	360.04	6.06	-72.53
CCN1CC[NH+](CCC(=O)N2CCC(CF)(C(=O)[O-])C2)CC1	REAL300006324834	1	48	0.0	-73.45	361.28	6.19	-67.26
CC(C)C(C(=O)N1CCC(CF)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300006324837	0	49	0.0	-54.27	344.71	9.11	-45.16
C[NH+](C)C(C(=O)N1CCC(CF)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006324838	1	43	0.0	-69.05	332.77	8.70	-60.35
O=C([O-])C1(CF)CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006324842	0	48	0.0	-68.77	374.01	6.78	-61.99
O=C([O-])C1(CF)CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006324842	1	48	0.0	-59.16	370.93	6.93	-52.23
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006324848	1	44	0.0	-62.16	347.64	8.64	-53.52
C[NH+](C)CC1=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300006324849	0	46	0.0	-59.79	364.10	9.29	-50.50
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300006324853	0	47	0.0	-67.69	340.04	8.74	-58.95
O=C([O-])C1(CF)CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300006324853	1	47	0.0	-58.49	345.85	9.20	-49.29
O=C([O-])C1(CF)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300006324877	1	48	0.0	-66.20	374.41	10.36	-55.84
CC(C)C(C(=O)N1CCC(CF)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006324878	1	53	0.0	-57.04	370.74	7.36	-49.68
CC(C(=O)N1CCC(CF)(C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300006324879	0	46	0.0	-61.92	330.83	7.82	-54.10
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(CF)(C(=O)[O-])C3)=CC=C1N2	REAL300006324909	1	48	0.0	-76.45	371.33	8.91	-67.54
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(CF)(C(=O)[O-])C3)=CC=C1N2	REAL300006324909	1	48	0.0	-77.82	372.64	8.95	-68.87
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)O1	REAL300006324963	0	46	0.0	-68.65	354.15	8.32	-60.33
O=C([O-])C1(CF)CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300006324964	0	46	0.0	-78.20	354.00	8.85	-69.35
CC1=CC=C(N2CCC(C(=O)N3CCC(CF)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300006324965	1	49	0.0	-68.69	371.91	8.25	-60.44
C[N@H+](CC(=O)N1CCC(CF)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006324966	1	43	0.0	-76.69	338.60	9.00	-67.69
C[N@@H+](CC(=O)N1CCC(CF)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006324966	1	43	0.0	-68.54	338.91	9.04	-59.50
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(CF)(C(=O)[O-])C3)C=C2)CC1	REAL300006324969	0	55	0.0	-85.87	404.21	8.87	-77.00
O=C([O-])C1(CF)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300006324980	1	38	0.0	-74.13	316.88	6.57	-67.56
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006325013	0	50	0.0	-76.85	384.94	10.39	-66.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006325013	1	50	0.0	-72.94	383.57	10.52	-62.42
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(CF)(C(=O)[O-])C2)C=C1	REAL300006325031	0	51	0.0	-81.00	404.53	9.96	-71.04
C[NH+]1CCC(OCC(=O)N2CCC(CF)(C(=O)[O-])C2)CC1	REAL300006325046	0	44	0.0	-72.13	340.73	8.29	-63.84
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006325050	0	47	0.0	-77.35	363.95	9.03	-68.32
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(CF)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006325082	0	49	0.0	-75.30	373.28	8.52	-66.78
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(CF)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006325082	1	49	0.0	-57.66	371.64	8.50	-49.16
CCC[N@@H+]1CCCC(C(=O)N2CCC(CF)(C(=O)[O-])C2)C1	REAL300006325217	0	46	0.0	-59.17	336.39	8.52	-50.65
CCC[N@H+]1CCCC(C(=O)N2CCC(CF)(C(=O)[O-])C2)C1	REAL300006325217	1	46	0.0	-56.56	336.80	8.45	-48.11
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006325245	0	46	0.0	-64.39	342.22	8.12	-56.27
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006325245	1	46	0.0	-59.58	343.01	8.40	-51.18
O=C([O-])C1(CF)CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300006325248	0	44	0.0	-66.10	335.66	4.61	-61.49
O=C([O-])C1(CF)CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300006325332	0	51	0.0	-64.09	385.17	10.64	-53.45
O=C([O-])C1(CF)CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300006325332	1	51	0.0	-78.15	388.57	10.76	-67.39
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300006325365	1	50	0.0	-61.21	374.29	10.22	-50.99
O=C([O-])C1(CF)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300006325365	1	50	0.0	-60.57	384.79	10.58	-49.99
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CF)(C(=O)[O-])C2)C1	REAL300006325447	0	46	0.0	-66.42	336.71	7.97	-58.45
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CF)(C(=O)[O-])C2)C1	REAL300006325447	1	46	0.0	-50.33	337.97	8.01	-42.32
C[N@@H+]1CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006325448	0	40	0.0	-79.91	323.56	7.09	-72.82
C[N@H+]1CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006325448	1	40	0.0	-74.14	316.60	6.79	-67.35
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)=C1	REAL300006325888	0	46	0.0	-81.38	359.40	9.44	-71.94
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C=C1	REAL300006325894	0	47	0.0	-61.63	361.81	8.15	-53.48
O=C([O-])C1(CF)CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006325972	0	53	0.0	-75.02	401.67	11.37	-63.65
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(CF)(C(=O)[O-])C3)C=C2)CCO1	REAL300006325974	1	51	0.0	-84.87	382.78	8.77	-76.10
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(CF)(C(=O)[O-])C3)C=C2)CCO1	REAL300006325974	1	51	0.0	-74.63	382.70	8.77	-65.86
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CF)(C(=O)[O-])C2)CC1	REAL300006326008	0	46	0.0	-60.05	330.65	7.86	-52.19
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(CF)(C(=O)[O-])C3)=CN12	REAL300006326012	0	38	0.0	-62.70	311.25	8.39	-54.31
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(CF)(C(=O)[O-])C2)C1	REAL300006326062	0	49	0.0	-56.86	352.95	9.13	-47.73
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CF)(C(=O)[O-])C2)C1	REAL300006326062	1	49	0.0	-66.27	359.40	9.00	-57.27
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(CF)(C(=O)[O-])C2)C1	REAL300006326070	0	49	0.0	-83.48	336.11	7.46	-76.02
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(CF)(C(=O)[O-])C2)C1	REAL300006326070	1	49	0.0	-65.15	341.73	8.00	-57.15
O=C([O-])C12CC(CNC(=O)C3CC[NH+](C4CC4)CC3)(C1)OC2C1=CC=CC=C1	REAL300006327400	0	56	0.0	-72.34	423.55	9.60	-62.74
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3C3CC3)(C1)OC2C1=CC=CC=C1	REAL300006327418	0	53	0.0	-63.28	412.93	9.33	-53.95
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3C3CC3)(C1)OC2C1=CC=CC=C1	REAL300006327418	1	53	0.0	-65.57	406.63	9.10	-56.47
CC1=[NH+]C=C2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)CN21	REAL300006327422	1	54	0.0	-62.65	419.09	9.45	-53.20
C[NH+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327465	0	45	0.0	-71.06	353.22	6.75	-64.31
C[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327466	0	52	0.0	-68.16	385.41	8.19	-59.97
C[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327466	1	52	0.0	-66.42	394.80	8.37	-58.05
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)N1CC[NH+](C)CC1	REAL300006327467	1	57	0.0	-71.33	425.09	6.55	-64.78
C[N@@H+]1CCCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327496	0	52	0.0	-64.55	395.83	8.43	-56.12
C[N@H+]1CCCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327496	1	52	0.0	-65.85	386.32	8.23	-57.62
C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300006327534	0	52	0.0	-75.15	398.72	8.39	-66.76
O=C([O-])C12CC(CNC(=O)C3=CN4C=[NH+]C=C4C=C3)(C1)OC2C1=CC=CC=C1	REAL300006327558	0	47	0.0	-72.64	383.39	10.24	-62.40
C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327588	0	49	0.0	-68.20	383.24	7.86	-60.34
C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327588	1	49	0.0	-67.71	380.89	7.83	-59.88
C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300006327626	0	52	0.0	-75.15	398.72	8.39	-66.76
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327654	1	53	0.0	-68.95	424.19	9.66	-59.29
C[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)[NH+](C)C	REAL300006327660	0	48	0.0	-69.17	372.04	7.14	-62.03
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327661	0	49	0.0	-70.24	377.50	7.45	-62.79
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327661	1	49	0.0	-68.63	382.81	7.99	-60.64
C[C@H](C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)[NH+](C)C	REAL300006327665	0	48	0.0	-65.36	369.79	7.12	-58.24
C[NH+](C)C1(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300006327673	0	49	0.0	-73.87	380.69	8.11	-65.76
CCC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)[NH+](CC)CC	REAL300006327728	0	57	0.0	-64.12	419.38	9.05	-55.07
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=N1	REAL300006327744	0	54	0.0	-76.52	428.09	8.36	-68.16
C[N@@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006327747	1	50	0.0	-80.88	394.94	7.35	-73.53
C[N@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006327747	1	50	0.0	-68.50	381.72	6.97	-61.53
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327756	1	53	0.0	-65.82	419.90	9.46	-56.36
C[NH+](C)CC1(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300006327764	0	52	0.0	-71.88	408.80	8.72	-63.16
C[NH+](C)CCCCC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327769	0	54	0.0	-73.73	418.58	8.89	-64.84
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)[NH+](C)C	REAL300006327779	0	54	0.0	-67.38	397.44	8.30	-59.08
CNC1=[NH+]C(C)=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327794	1	51	0.0	-64.49	403.44	7.80	-56.69
CCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327800	0	51	0.0	-70.70	393.37	8.15	-62.55
CCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327800	1	51	0.0	-70.64	393.37	8.15	-62.49
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CCC1	REAL300006327817	0	52	0.0	-68.36	400.24	8.71	-59.65
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CCC1	REAL300006327817	1	52	0.0	-64.71	397.09	8.70	-56.01
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)CC(C)(C)C	REAL300006327830	0	57	0.0	-70.04	423.77	9.22	-60.82
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)CC(C)(C)C	REAL300006327830	1	57	0.0	-69.82	423.00	9.31	-60.51
CC[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)[NH+](C)C	REAL300006327833	0	51	0.0	-67.77	384.38	7.75	-60.02
C[N@@H+]1CCCC(O)(CC(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006327835	0	56	0.0	-71.78	424.99	7.34	-64.44
C[N@H+]1CCCC(O)(CC(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006327835	1	56	0.0	-68.63	409.08	6.96	-61.67
CCCCCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327855	0	60	0.0	-71.83	457.87	10.49	-61.34
CCCCCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327855	1	60	0.0	-71.83	457.87	10.49	-61.34
O=C([O-])C12CC(CNC(=O)C34CCC[NH+]3CCC4)(C1)OC2C1=CC=CC=C1	REAL300006327861	0	53	0.0	-64.73	398.10	8.82	-55.91
O=C([O-])C12CC(CNC(=O)C3=CC4=C[NH+]=CN4C=C3)(C1)OC2C1=CC=CC=C1	REAL300006327868	1	47	0.0	-76.53	383.66	10.26	-66.27
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CCSC1	REAL300006327874	0	53	0.0	-75.35	412.57	9.00	-66.35
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CCSC1	REAL300006327874	1	53	0.0	-71.73	410.19	8.93	-62.80
O=C([O-])C12CC(CNC(=O)C3CCCC4CCC[N@@H+]43)(C1)OC2C1=CC=CC=C1	REAL300006327887	0	56	0.0	-65.05	413.29	9.45	-55.60
O=C([O-])C12CC(CNC(=O)C3CCCC4CCC[N@H+]43)(C1)OC2C1=CC=CC=C1	REAL300006327887	1	56	0.0	-63.09	408.04	9.27	-53.82
C[NH+](C)CCN1C=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=N1	REAL300006327888	0	55	0.0	-79.62	437.53	8.23	-71.39
CCCC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)[NH+](C)C	REAL300006327905	0	54	0.0	-69.11	408.47	9.12	-59.99
C[NH+](C)CCN1C=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300006327914	0	55	0.0	-83.42	438.83	8.24	-75.18
C[NH+](C)CCN1N=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327915	0	55	0.0	-72.20	428.00	8.40	-63.80
C[C@@H]1[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC[N@@H+]1C	REAL300006327917	0	52	0.0	-69.90	391.32	7.99	-61.91
C[C@@H]1[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC[N@H+]1C	REAL300006327917	1	52	0.0	-72.54	394.12	7.93	-64.61
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327919	1	56	0.0	-65.96	440.10	9.94	-56.02
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC[N@@H+]1C	REAL300006327921	0	55	0.0	-72.72	411.62	8.42	-64.30
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC[N@H+]1C	REAL300006327921	1	55	0.0	-66.14	411.83	8.93	-57.21
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327923	1	51	0.0	-66.61	400.12	8.52	-58.09
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327923	1	51	0.0	-63.90	404.51	8.99	-54.91
CC1C[N@H+](C)CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)O1	REAL300006327926	1	53	0.0	-71.53	405.58	7.77	-63.76
CC1C[N@@H+](C)CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)O1	REAL300006327926	1	53	0.0	-74.96	410.74	7.91	-67.05
O=C(C[NH+]1CCCC1)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327932	0	49	0.0	-69.65	378.10	7.76	-61.89
CC1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327934	1	47	0.0	-64.00	380.29	8.32	-55.68
CC(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327936	0	56	0.0	-72.86	424.58	7.51	-65.35
CC1CC[NH+](CC(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300006327953	0	55	0.0	-70.74	417.10	9.22	-61.52
CC[N@@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006327960	1	53	0.0	-69.41	400.82	7.72	-61.69
CC[N@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006327960	1	53	0.0	-71.88	401.57	7.69	-64.19
C[N@@H+]1CCCC1CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327983	0	55	0.0	-70.22	417.25	9.15	-61.07
C[N@H+]1CCCC1CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327983	1	55	0.0	-68.08	412.85	8.74	-59.34
O=C([O-])C12CC(CNC(=O)C34CCC[NH+](CCC3)C4)(C1)OC2C1=CC=CC=C1	REAL300006327991	0	56	0.0	-73.62	414.94	9.10	-64.52
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327993	1	53	0.0	-67.65	399.68	4.85	-62.80
C[N@H+]1CC(O)CC1(C)C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006327993	1	53	0.0	-67.79	400.54	4.99	-62.80
O=C([O-])C12CC(CNC(=O)C3CCC4CCCC[N@@H+]43)(C1)OC2C1=CC=CC=C1	REAL300006327994	0	56	0.0	-62.57	423.37	9.76	-52.81
O=C([O-])C12CC(CNC(=O)C3CCC4CCCC[N@H+]43)(C1)OC2C1=CC=CC=C1	REAL300006327994	1	56	0.0	-61.99	421.96	9.76	-52.23
CC[NH+](CC)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328005	0	51	0.0	-68.60	384.80	7.84	-60.76
CC(C)[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300006328007	0	58	0.0	-72.67	429.41	9.35	-63.32
O=C([O-])C12CC(CNC(=O)C34CC[NH+](CC3)C4)(C1)OC2C1=CC=CC=C1	REAL300006328058	0	50	0.0	-74.73	389.07	7.41	-67.32
CCC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)[NH+](C)C	REAL300006328061	0	51	0.0	-67.17	383.45	7.78	-59.39
O=C([O-])C12CC(CNC(=O)C34CC[N@H+](C3)CCC4)(C1)OC2C1=CC=CC=C1	REAL300006328068	0	53	0.0	-71.26	392.22	8.02	-63.24
O=C([O-])C12CC(CNC(=O)C34CC[N@@H+](C3)CCC4)(C1)OC2C1=CC=CC=C1	REAL300006328068	1	53	0.0	-72.65	396.86	7.99	-64.66
CC1CCC(C)[NH+]1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328095	0	55	0.0	-66.47	410.35	8.78	-57.69
C[NH+](C)CC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300006328096	0	55	0.0	-75.38	432.30	10.22	-65.16
C[NH+](C)C1(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CCC1	REAL300006328121	0	52	0.0	-72.64	391.71	8.06	-64.58
C#CC[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300006328136	0	54	0.0	-76.05	422.45	9.56	-66.49
CCC[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328137	0	58	0.0	-65.57	428.46	9.72	-55.85
CCC[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328137	1	58	0.0	-65.77	432.47	9.68	-56.09
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328138	0	55	0.0	-62.79	424.72	10.49	-52.30
CC(C)[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328139	0	51	0.0	-67.93	387.64	7.95	-59.98
CC(C)[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328139	1	51	0.0	-68.20	388.56	7.93	-60.27
C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1=CC=CC=C1	REAL300006328140	1	55	0.0	-68.09	427.94	10.24	-57.85
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328145	1	56	0.0	-65.34	438.63	9.91	-55.43
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3C3CCCC3)(C1)OC2C1=CC=CC=C1	REAL300006328150	0	59	0.0	-65.98	431.48	10.16	-55.82
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3C3CCCC3)(C1)OC2C1=CC=CC=C1	REAL300006328150	1	59	0.0	-64.37	440.28	10.20	-54.17
CC[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CC1	REAL300006328152	0	52	0.0	-66.59	401.81	8.78	-57.81
CC[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CC1	REAL300006328152	1	52	0.0	-67.70	400.52	8.75	-58.95
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)[NH+]1CCCCCC1	REAL300006328165	0	58	0.0	-65.99	422.24	9.22	-56.77
C[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328168	0	49	0.0	-68.88	383.86	7.98	-60.90
C[N@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328168	1	49	0.0	-65.92	371.96	7.25	-58.67
CC(C)(C)[NH2+]CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328209	0	51	0.0	-69.43	392.17	6.48	-62.95
O=C(CCCC[NH+]1CCCC1)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328210	0	58	0.0	-72.66	445.47	10.05	-62.61
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)CC1=CC=CC=C1	REAL300006328212	1	55	0.0	-74.61	430.80	10.32	-64.29
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)CC1=CC=CC=C1	REAL300006328212	1	55	0.0	-74.66	430.85	10.32	-64.34
CC(C)[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)[NH+](C)C	REAL300006328219	0	54	0.0	-69.31	402.38	8.93	-60.38
C[NH+](C)CC1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=NO1	REAL300006328242	1	51	0.0	-79.51	412.14	7.71	-71.80
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328251	0	55	0.0	-65.24	408.64	9.12	-56.12
CC(C)[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328251	1	55	0.0	-62.52	410.54	8.84	-53.68
C[NH+]1CCC(OCC(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300006328264	0	56	0.0	-77.14	433.17	8.85	-68.29
CCC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006328356	0	58	0.0	-62.40	431.51	9.98	-52.42
CCC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006328356	1	58	0.0	-67.37	437.77	9.77	-57.60
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328370	0	58	0.0	-67.17	438.79	9.96	-57.21
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300006328370	1	58	0.0	-65.00	441.34	10.09	-54.91
O=C([O-])C12CC(CNC(=O)C[NH+]3CCC(CO)CC3)(C1)OC2C1=CC=CC=C1	REAL300006328371	1	56	0.0	-71.67	427.01	5.94	-65.73
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006328496	0	58	0.0	-65.52	430.24	9.49	-56.03
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006328496	1	58	0.0	-65.64	430.28	9.49	-56.15
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)N1	REAL300006328511	1	53	0.0	-66.54	424.38	8.02	-58.52
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006328850	0	52	0.0	-73.01	407.21	8.63	-64.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300006328854	0	58	0.0	-67.82	426.46	9.43	-58.39
CC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006328892	0	55	0.0	-70.37	416.41	9.01	-61.36
CC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006328892	1	55	0.0	-70.37	416.41	9.01	-61.36
C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006328897	0	52	0.0	-64.97	391.07	8.59	-56.38
C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300006328897	1	52	0.0	-64.97	391.07	8.59	-56.38
CN(C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)O1	REAL300006328899	0	52	0.0	-77.80	418.68	8.54	-69.26
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)O1	REAL300006328899	1	52	0.0	-77.80	418.68	8.54	-69.26
O=C([O-])C12CC(CNC(=O)C34CC(C3)C[N@@H+]4C3CC3)(C1)OC2C1=CC=CC=C1	REAL300006328906	0	54	0.0	-64.19	409.71	10.16	-54.03
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)C1	REAL300006328976	0	56	0.0	-48.06	386.42	8.82	-39.24
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)C1	REAL300006328976	1	56	0.0	-48.06	386.42	8.82	-39.24
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])O1	REAL300006329015	0	51	0.0	-72.68	421.10	9.03	-63.65
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC=C(C(=O)[O-])O1	REAL300006329015	1	51	0.0	-75.41	419.29	8.87	-66.54
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006329016	0	59	0.0	-86.12	443.77	10.08	-76.04
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006329016	1	59	0.0	-86.06	442.00	9.90	-76.16
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006329017	0	57	0.0	-92.89	441.83	10.22	-82.67
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006329017	1	57	0.0	-93.88	442.05	10.06	-83.82
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006329018	0	59	0.0	-86.12	443.77	10.08	-76.04
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006329018	1	59	0.0	-86.06	442.00	9.90	-76.16
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC(=O)[O-]	REAL300006329019	0	53	0.0	-88.38	421.47	9.23	-79.15
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC(=O)[O-]	REAL300006329019	1	53	0.0	-86.61	421.93	9.25	-77.36
CC(CC(=O)[O-])CC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329020	0	56	0.0	-87.34	433.47	9.64	-77.70
CC(CC(=O)[O-])CC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329020	1	56	0.0	-86.66	432.86	9.71	-76.95
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=NOC(C(=O)[O-])=C1	REAL300006329021	0	50	0.0	-75.07	415.51	8.21	-66.86
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=NOC(C(=O)[O-])=C1	REAL300006329021	1	50	0.0	-72.85	416.18	8.24	-64.61
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)COCC(=O)[O-]	REAL300006329022	0	51	0.0	-90.51	413.55	8.50	-82.01
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)COCC(=O)[O-]	REAL300006329022	1	51	0.0	-90.30	411.77	8.32	-81.98
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006329023	0	57	0.0	-92.89	441.83	10.22	-82.67
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006329023	1	57	0.0	-93.88	442.05	10.06	-83.82
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006329024	0	54	0.0	-56.05	422.97	9.62	-46.43
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006329024	1	54	0.0	-61.26	422.78	9.45	-51.81
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006329025	0	54	0.0	-56.05	422.97	9.62	-46.43
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006329025	1	54	0.0	-61.26	422.78	9.45	-51.81
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300006329026	0	51	0.0	-89.34	407.92	9.16	-80.18
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300006329026	1	51	0.0	-90.00	407.55	8.98	-81.02
CCC(C(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329027	0	53	0.0	-61.63	418.76	9.01	-52.62
CCC(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329027	1	53	0.0	-70.22	418.32	9.12	-61.10
CC(C)C(C(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329028	0	56	0.0	-63.42	433.86	9.49	-53.93
CC(C)C(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329028	1	56	0.0	-58.86	428.92	9.76	-49.10
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300006329029	0	51	0.0	-82.86	411.00	9.16	-73.70
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300006329029	1	51	0.0	-81.58	410.97	9.16	-72.42
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300006329030	0	54	0.0	-90.37	425.00	9.62	-80.75
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300006329030	1	54	0.0	-91.44	424.67	9.46	-81.98
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CC(C)(C(=O)[O-])C1	REAL300006329031	0	57	0.0	-78.37	444.12	10.06	-68.31
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CC(C)(C(=O)[O-])C1	REAL300006329031	1	57	0.0	-76.92	444.25	10.05	-66.87
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(C(=O)[O-])=NN1	REAL300006329032	0	51	0.0	-93.02	418.97	7.09	-85.93
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(C(=O)[O-])=NN1	REAL300006329032	1	51	0.0	-91.19	419.18	7.08	-84.11
CCCC(C(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329033	0	56	0.0	-58.46	441.60	9.90	-48.56
CCCC(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329033	1	56	0.0	-62.97	439.82	9.90	-53.07
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC1(CC(=O)[O-])CC1	REAL300006329034	0	57	0.0	-80.79	446.97	10.40	-70.39
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC1(CC(=O)[O-])CC1	REAL300006329034	1	57	0.0	-81.89	445.64	10.30	-71.59
COC(C(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329035	0	51	0.0	-68.91	411.21	8.34	-60.57
COC(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329035	1	51	0.0	-70.97	411.26	8.36	-62.61
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300006329036	0	54	0.0	-92.49	424.83	10.67	-81.82
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300006329036	1	54	0.0	-87.86	430.68	9.62	-78.24
CC(C(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329037	0	50	0.0	-85.80	397.84	8.29	-77.51
CC(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300006329037	1	50	0.0	-84.10	394.42	9.35	-74.75
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300006329038	0	57	0.0	-81.95	439.85	10.18	-71.77
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300006329038	1	57	0.0	-82.13	440.72	10.12	-72.01
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(CO)C3(CCC3)C2)C1	REAL300006329081	0	48	0.0	-45.51	353.55	5.65	-39.86
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(CO)C3(CCC3)C2)C1	REAL300006329081	1	48	0.0	-43.47	346.73	5.18	-38.29
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006329179	0	53	0.0	-52.07	382.32	9.42	-42.65
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006329179	1	53	0.0	-50.71	382.30	9.41	-41.30
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CC3(CCC3)OC3=CC=C(F)C=C32)C1	REAL300006329320	0	52	0.0	-53.08	385.01	9.54	-43.54
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CC3(CCC3)OC3=CC=C(F)C=C32)C1	REAL300006329320	1	52	0.0	-50.05	390.84	9.53	-40.52
CC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300006329434	0	43	0.0	-47.62	345.96	8.50	-39.12
CC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300006329434	1	43	0.0	-49.54	352.17	8.53	-41.01
CC1(C)CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)O1	REAL300006329552	0	56	0.0	-49.16	398.65	8.06	-41.10
CC1(C)CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)O1	REAL300006329552	1	56	0.0	-46.67	396.64	7.62	-39.05
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C2=CC=CC=C2)C1	REAL300006329716	0	52	0.0	-47.34	381.16	11.00	-36.34
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C2=CC=CC=C2)C1	REAL300006329716	1	52	0.0	-47.51	386.13	10.97	-36.54
C=CCN(CC1=CC=C(Cl)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006329824	0	47	0.0	-46.11	378.38	11.54	-34.57
C=CCN(CC1=CC=C(Cl)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006329824	1	47	0.0	-45.49	374.05	10.97	-34.52
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(Cl)=CC=C2Cl)C1	REAL300006329943	0	40	0.0	-47.85	347.81	8.40	-39.45
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(Cl)=CC=C2Cl)C1	REAL300006329943	1	40	0.0	-46.76	341.65	8.33	-38.43
CC1(C)CCOC1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006330037	0	50	0.0	-49.04	362.73	6.40	-42.64
CC1(C)CCOC1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006330037	1	50	0.0	-45.63	360.80	5.95	-39.68
O=C([O-])C1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C1	REAL300006330069	0	45	0.0	-71.91	335.91	8.46	-63.45
O=C([O-])COC1=CC=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=C1	REAL300006330070	0	49	0.0	-80.73	363.58	10.39	-70.34
O=C([O-])C1=CC=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=C1	REAL300006330071	0	45	0.0	-80.77	343.39	8.74	-72.03
O=C([O-])C1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)S1	REAL300006330072	0	42	0.0	-65.87	328.01	9.36	-56.51
O=C([O-])C1=CC=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=N1	REAL300006330073	0	44	0.0	-58.32	331.82	8.45	-49.87
CC(SC1=CC=CC=C1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300006330074	0	52	0.0	-77.89	395.81	10.48	-67.41
CCOC1=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=CC=C1OCC(=O)[O-]	REAL300006330075	0	56	0.0	-77.67	414.54	11.07	-66.60
O=C([O-])C1=CC=C(CCC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C1	REAL300006330076	0	51	0.0	-76.27	379.76	11.67	-64.60
O=C([O-])C1=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=CC=N1	REAL300006330077	0	44	0.0	-83.12	339.47	6.97	-76.15
O=C([O-])C1=CC=C(C=CC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C1	REAL300006330078	0	49	0.0	-76.66	368.21	11.37	-65.29
O=C([O-])C1=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=CC([N+](=O)[O-])=C1	REAL300006330079	0	47	0.0	-58.49	371.41	9.39	-49.10
O=C([O-])C1=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=CC([N+](=O)[O-])=C1	REAL300006330080	0	47	0.0	-58.49	371.41	9.39	-49.10
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C1	REAL300006330081	0	55	0.0	-77.15	410.89	10.03	-67.12
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=C1	REAL300006330082	0	52	0.0	-72.91	391.07	11.20	-61.71
O=C([O-])C1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)O1	REAL300006330083	0	42	0.0	-59.88	329.89	7.10	-52.78
O=C([O-])C1=CC=CC=C1CCC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330084	0	51	0.0	-68.11	370.80	11.40	-56.71
CC1=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=CC(C)=C1OCC(=O)[O-]	REAL300006330085	0	55	0.0	-73.78	411.02	10.29	-63.49
O=C([O-])C1=CC(CC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=CC=C1	REAL300006330086	0	48	0.0	-80.45	360.59	9.12	-71.33
O=C([O-])C1CCCC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300006330087	0	51	0.0	-81.25	357.78	10.33	-70.92
O=C([O-])C1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=N1	REAL300006330088	0	44	0.0	-71.49	328.45	8.33	-63.16
O=C([O-])C1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)N=C1	REAL300006330089	0	44	0.0	-63.01	331.10	8.45	-54.56
CC(C)(CC(=O)[O-])CC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330090	0	50	0.0	-71.60	342.86	9.62	-61.98
O=C([O-])C1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(F)=C1	REAL300006330091	0	45	0.0	-72.77	336.87	10.19	-62.58
O=C([O-])C1=CN=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=N1	REAL300006330092	0	43	0.0	-64.32	336.44	5.12	-59.20
O=C([O-])[C@H]1CC[C@H](C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC1	REAL300006330093	0	51	0.0	-71.13	355.86	10.27	-60.86
O=C([O-])C1CCC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC1	REAL300006330094	0	51	0.0	-72.01	357.42	10.30	-61.71
O=C([O-])C1=CC=C(CC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C1	REAL300006330095	0	48	0.0	-84.44	358.36	10.86	-73.58
O=C([O-])C1=CN(CC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)N=N1	REAL300006330096	0	44	0.0	-86.02	328.07	6.58	-79.44
CC1=NC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=CC=C1C(=O)[O-]	REAL300006330097	0	47	0.0	-61.76	356.92	7.51	-54.25
O=C([O-])C1=CC(Br)=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=C1	REAL300006330098	0	45	0.0	-76.04	353.73	10.71	-65.33
O=C([O-])C1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C1	REAL300006330099	0	45	0.0	-71.91	335.91	8.46	-63.45
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300006330100	0	48	0.0	-76.39	350.48	8.23	-68.16
O=C([O-])CC1=CC=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=C1	REAL300006330101	0	48	0.0	-77.68	347.44	10.62	-67.06
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330102	0	55	0.0	-73.42	398.61	13.46	-59.96
O=C([O-])CC1=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=CO1	REAL300006330103	0	45	0.0	-76.98	336.09	9.09	-67.89
CC1=COC(CC(=O)[O-])=C1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330104	0	48	0.0	-55.90	360.18	9.66	-46.24
O=C([O-])C1=CC=NC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=C1	REAL300006330105	0	44	0.0	-68.78	340.85	7.01	-61.77
O=C([O-])C12CC(C(=O)NC3CC4CCC(C3)[NH+]4C3CC3)(C1)C2	REAL300006330106	0	46	0.0	-70.92	336.18	9.72	-61.20
O=C(CC1CCC(C(=O)[O-])CC1)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330107	0	54	0.0	-78.69	378.49	11.11	-67.58
O=C([O-])C12CCC(C(=O)NC3CC4CCC(C3)[NH+]4C3CC3)(CC1)C2	REAL300006330108	0	52	0.0	-78.73	376.06	9.08	-69.65
O=C([O-])C12CCC(C(=O)NC3CC4CCC(C3)[NH+]4C3CC3)(CC1)CC2	REAL300006330109	0	55	0.0	-73.79	379.08	9.35	-64.44
CC(C)(CC(=O)[O-])CC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330110	0	50	0.0	-71.60	342.86	9.62	-61.98
O=C([O-])C1=C2N=CC=C(C(=O)NC3CC4CCC(C3)[NH+]4C3CC3)N2N=C1	REAL300006330111	0	47	0.0	-73.20	350.09	9.62	-63.58
O=C([O-])CC1=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)NC2=CC=CC=C21	REAL300006330112	0	52	0.0	-77.63	395.40	9.42	-68.21
O=C([O-])C1=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=NO1	REAL300006330113	0	41	0.0	-60.03	324.12	6.29	-53.74
O=C([O-])C1(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCCC1	REAL300006330114	0	48	0.0	-57.56	347.41	8.38	-49.18
O=C([O-])C1=CC=C2CCCC(CC(=O)NC3CC4CCC(C3)[NH+]4C3CC3)C2=C1	REAL300006330115	0	58	0.0	-68.17	412.21	13.10	-55.07
CC1=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C(C(=O)[O-])O1	REAL300006330116	0	45	0.0	-64.23	346.46	7.85	-56.38
CC1=C(C(=O)[O-])OC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=C1	REAL300006330117	0	45	0.0	-60.58	338.04	9.17	-51.41
O=C([O-])C1=CN(CC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)N=C1	REAL300006330118	0	45	0.0	-79.53	342.66	6.60	-72.93
O=C([O-])C=CC1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)O1	REAL300006330119	0	46	0.0	-63.30	353.13	9.79	-53.51
O=C([O-])C1(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC2(CCC2)C1	REAL300006330120	0	52	0.0	-51.42	374.02	9.42	-42.00
O=C([O-])COC1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C1	REAL300006330121	0	49	0.0	-71.35	366.92	8.75	-62.60
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300006330122	0	54	0.0	-81.59	401.97	10.75	-70.84
O=C([O-])CSCCC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330123	0	45	0.0	-69.59	343.54	9.38	-60.21
O=C([O-])C1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)N=C1	REAL300006330124	0	44	0.0	-63.01	331.10	8.45	-54.56
CN1N=C(C(=O)[O-])C=C1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330125	0	45	0.0	-70.11	338.24	6.11	-64.00
C[C@@H]1C[C@H](C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)O[C@H]1C(=O)[O-]	REAL300006330126	0	49	0.0	-77.43	365.39	8.22	-69.21
CC(C)(CCC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330127	0	50	0.0	-78.40	340.00	9.28	-69.12
O=C([O-])CC1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C1	REAL300006330128	0	48	0.0	-69.08	358.10	9.23	-59.85
O=C([O-])C=CC1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C1	REAL300006330129	0	49	0.0	-73.15	368.00	9.76	-63.39
O=C([O-])C1=COC(C=CC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=C1	REAL300006330130	0	46	0.0	-71.36	362.45	8.18	-63.18
O=C([O-])CCC1=CC=CC=C1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330131	0	51	0.0	-75.84	378.24	10.25	-65.59
O=C([O-])C1=C(COCC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)OC=N1	REAL300006330132	0	48	0.0	-82.11	366.46	5.90	-76.21
O=C([O-])C1=CC=C(C=CC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)O1	REAL300006330133	0	46	0.0	-67.63	354.30	9.99	-57.64
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300006330134	0	48	0.0	-76.39	350.48	8.23	-68.16
CC1=CC=C(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C=C1C(=O)[O-]	REAL300006330135	0	48	0.0	-83.00	348.23	10.63	-72.37
O=C([O-])C1=CN=CC(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=C1	REAL300006330136	0	44	0.0	-73.04	338.55	6.92	-66.12
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300006330137	0	47	0.0	-58.76	354.80	7.57	-51.19
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CC[N@H+](CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOC2)C=C1)C(C)C	REAL300006333251	0	53	0.0	-66.07	383.50	8.07	-58.00
CC[N@@H+](CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOC2)C=C1)C(C)C	REAL300006333251	1	53	0.0	-65.70	377.78	7.72	-57.98
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CC(C(=O)NC1(CC(=O)[O-])CCOC1)[N@H+](C)CC1=CC=CC=C1	REAL300006333295	0	47	0.0	-45.52	354.94	7.03	-38.49
CC(C(=O)NC1(CC(=O)[O-])CCOC1)[N@@H+](C)CC1=CC=CC=C1	REAL300006333295	1	47	0.0	-46.14	355.34	7.07	-39.07
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CC1C[NH+](CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCOC3)C=C2)CC(C)O1	REAL300006333363	1	55	0.0	-71.24	413.62	7.47	-63.77
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CC(C(=O)NC1(CC(=O)[O-])CCOC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006333414	0	57	0.0	-49.47	418.91	9.52	-39.95
CC(C(=O)NC1(CC(=O)[O-])CCOC1)[NH+]1CCSCC1	REAL300006333437	1	42	0.0	-51.44	320.19	5.08	-46.36
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(CC(=O)[O-])CCOC1	REAL300006333444	0	47	0.0	-50.50	359.71	7.54	-42.96
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(CC(=O)[O-])CCOC1	REAL300006333444	1	47	0.0	-52.59	360.07	7.53	-45.06
COCCOCC[N@H+](C)CCC(=O)NC1(CC(=O)[O-])CCOC1	REAL300006333445	0	51	0.0	-53.63	389.27	3.67	-49.96
COCCOCC[N@@H+](C)CCC(=O)NC1(CC(=O)[O-])CCOC1	REAL300006333445	1	51	0.0	-59.09	389.28	3.71	-55.38
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C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300006336885	0	50	0.0	-47.43	391.49	8.65	-38.78
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C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300006337153	0	47	0.0	-56.45	369.51	7.60	-48.85
C[N@H+]1CCC[C@@H]1C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300006337153	1	47	0.0	-54.33	375.36	7.95	-46.38
C[C@H](C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-])[NH+](C)C	REAL300006337157	0	46	0.0	-53.90	367.14	7.58	-46.32
C[NH+](C)C1(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300006337165	0	47	0.0	-67.63	366.31	8.72	-58.91
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CCC(C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-])[NH+](CC)CC	REAL300006337231	0	55	0.0	-49.80	415.39	9.35	-40.45
CC(C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006337233	0	56	0.0	-68.01	441.33	10.60	-57.41
CC(C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006337233	1	56	0.0	-69.28	441.29	10.65	-58.63
C[NH+](C)CC1=CC=C(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300006337256	0	52	0.0	-71.60	423.70	8.58	-63.02
CCC[NH+](CCC)CCCC(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300006337261	0	61	0.0	-61.58	471.86	11.25	-50.33
CC[N@H+](C)C(C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC=C1	REAL300006337262	0	56	0.0	-63.83	438.96	10.79	-53.04
CC[N@@H+](C)C(C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC=C1	REAL300006337262	1	56	0.0	-52.31	442.26	11.16	-41.15
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C[N@H+]1CCOC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006337263	1	48	0.0	-81.70	382.77	7.05	-74.65
CC[NH+](CC)C(C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC=C1	REAL300006337265	0	59	0.0	-57.15	443.52	10.87	-46.28
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300006337275	1	51	0.0	-51.71	415.38	9.68	-42.03
O=C([O-])C[C@@H](COCC1=CC=CC=C1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006337286	0	57	0.0	-74.02	452.71	11.59	-62.43
C[NH+](C)CC1(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300006337295	0	50	0.0	-47.12	392.32	9.46	-37.66
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CCC[N@@H+]1CCCC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006338212	0	56	0.0	-63.40	423.43	9.83	-53.57
CCC[N@H+]1CCCC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006338212	1	56	0.0	-52.78	426.84	10.13	-42.65
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300006338239	0	56	0.0	-66.09	425.62	9.47	-56.62
CC(C)C[N@H+]1CCCC1C(=O)N[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300006338239	1	56	0.0	-65.01	431.33	9.81	-55.20
O=C([O-])C[C@@H](COCC1=CC=CC=C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006338240	1	54	0.0	-52.69	423.44	6.22	-46.47
CC(C)[N@@H+]1CCCC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006338434	0	56	0.0	-59.48	428.24	9.70	-49.78
CC(C)[N@H+]1CCCC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006338434	1	56	0.0	-68.75	425.26	9.43	-59.32
C[N@@H+]1CC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C(C(F)(F)F)C1	REAL300006338435	0	50	0.0	-81.19	400.46	8.78	-72.41
C[N@H+]1CC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C(C(F)(F)F)C1	REAL300006338435	1	50	0.0	-52.41	412.41	8.71	-43.70
CC1=C(C)[NH+]=C(CCC(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])N1	REAL300006338458	1	51	0.0	-55.88	419.80	8.19	-47.69
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300006338875	0	56	0.0	-74.53	450.39	11.26	-63.27
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006339005	0	50	0.0	-72.40	395.29	8.33	-64.07
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300006339009	0	56	0.0	-65.16	417.83	9.28	-55.88
CC1=[NH+]C=C2C=CC(C(=O)N[C@H](COCC3=CC=CC=C3)CC(=O)[O-])=CN21	REAL300006339012	0	48	0.0	-60.01	401.34	10.23	-49.78
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006339068	0	59	0.0	-70.04	447.40	10.36	-59.68
CC(C)C[N@H+]1CCCC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006339068	1	59	0.0	-71.25	447.95	10.35	-60.90
CC[N@@H+]1CCCC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006339069	0	53	0.0	-61.14	411.46	9.32	-51.82
CC[N@H+]1CCCC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006339069	1	53	0.0	-51.16	404.76	9.39	-41.77
C[N@@H+]1CCCC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006339074	0	50	0.0	-72.71	390.79	8.27	-64.44
C[N@H+]1CCCC(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006339074	1	50	0.0	-71.26	390.66	8.26	-63.00
C[NH+](C)CC1=CC=C(C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300006339076	1	50	0.0	-71.71	414.28	8.76	-62.95
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006339082	0	59	0.0	-77.08	435.75	9.73	-67.35
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300006339082	1	59	0.0	-68.48	439.77	10.06	-58.42
O=C([O-])C[C@@H](COCC1=CC=CC=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006339085	0	52	0.0	-57.81	406.59	9.56	-48.25
O=C([O-])C[C@@H](COCC1=CC=CC=C1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006339085	1	52	0.0	-54.04	403.62	10.42	-43.62
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(S(=O)(=O)NCC3CC3)C2)C1	REAL300006339166	0	52	0.0	-54.32	395.93	4.55	-49.77
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(S(=O)(=O)NCC3CC3)C2)C1	REAL300006339166	1	52	0.0	-58.26	404.63	5.33	-52.93
COC1=CC2=C(C=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OCO2	REAL300006339298	0	47	0.0	-49.28	364.98	5.39	-43.89
COC1=CC2=C(C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OCO2	REAL300006339298	1	47	0.0	-51.11	371.18	5.41	-45.70
CC(C)C[C@@H](CO)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006339371	0	49	0.0	-43.22	350.74	6.07	-37.15
CC(C)C[C@@H](CO)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006339371	1	49	0.0	-45.99	357.28	6.44	-39.55
O=C([O-])C1=CC=C(C2(CNC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CC2)C=C1	REAL300006340431	0	57	0.0	-78.28	447.99	12.88	-65.40
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2)C=C1	REAL300006341003	0	54	0.0	-67.86	418.63	11.53	-56.33
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2)C=C1	REAL300006341003	1	54	0.0	-69.67	423.78	12.06	-57.61
O=C([O-])C1=CC=C(C2(CNC(=O)C3CC[NH+](C4CC4)CC3)CC2)C=C1	REAL300006341860	0	51	0.0	-63.55	393.60	10.64	-52.91
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCC[N@@H+]3C3CC3)CC2)C=C1	REAL300006341886	0	48	0.0	-66.32	383.98	10.16	-56.16
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCC[N@H+]3C3CC3)CC2)C=C1	REAL300006341886	1	48	0.0	-61.04	376.64	10.14	-50.90
CC1=[NH+]C=C2CCC(C(=O)NCC3(C4=CC=C(C(=O)[O-])C=C4)CC3)CN21	REAL300006341892	1	49	0.0	-65.91	389.21	10.19	-55.72
O=C([O-])C1=CC=C(C2(CNC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CC2)C=C1	REAL300006341893	0	57	0.0	-71.72	433.25	12.15	-59.57
C[N@@H+]1CCCCC1C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006341972	0	47	0.0	-68.26	357.62	9.02	-59.24
C[N@H+]1CCCCC1C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006341972	1	47	0.0	-72.93	367.03	8.99	-63.94
CC(C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)N1CC[NH+](C)CC1	REAL300006341973	1	52	0.0	-73.01	391.77	7.23	-65.78
C[N@@H+]1CCCC[C@H]1C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342014	0	47	0.0	-67.61	367.36	9.14	-58.47
C[N@H+]1CCCC[C@H]1C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342014	1	47	0.0	-67.29	358.27	8.99	-58.30
C[NH+]1CCC(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300006342098	0	47	0.0	-75.92	366.14	9.09	-66.83
O=C([O-])C1=CC=C(C2(CNC(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)C=C1	REAL300006342127	0	42	0.0	-73.37	355.81	11.07	-62.30
C[NH+](C)CC1(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CCCCC1	REAL300006342162	0	56	0.0	-73.51	395.19	12.01	-61.50
C[N@H+](CCC(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1CCCCC1	REAL300006342167	0	56	0.0	-66.52	422.60	11.37	-55.15
C[N@@H+](CCC(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1CCCCC1	REAL300006342167	1	56	0.0	-67.31	422.60	11.36	-55.95
C[N@@H+]1CCCC1C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342183	0	44	0.0	-69.38	350.90	8.50	-60.88
C[N@H+]1CCCC1C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342183	1	44	0.0	-68.18	347.37	8.47	-59.71
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)CC2)C=C1	REAL300006342188	1	54	0.0	-77.22	432.65	12.18	-65.04
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)CC2)C=C1	REAL300006342188	1	54	0.0	-76.06	428.82	12.15	-63.91
C[NH+]1CCC(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300006342239	0	47	0.0	-75.92	366.14	9.09	-66.83
O=C([O-])C1=CC=C(C2(CNC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CC2)C=C1	REAL300006342243	0	50	0.0	-80.30	410.73	10.08	-70.22
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCCC[N@@H+]3C3CCCC3)CC2)C=C1	REAL300006342263	0	57	0.0	-68.78	419.33	11.51	-57.27
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCCC[N@H+]3C3CCCC3)CC2)C=C1	REAL300006342263	1	57	0.0	-69.27	417.99	11.48	-57.79
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)C=C1	REAL300006342264	0	58	0.0	-75.91	432.14	9.78	-66.13
CC1=[NH+]C=CN1CCCC(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342299	1	48	0.0	-72.03	390.99	10.29	-61.74
O=C([O-])C1=CC=C(C2(CNC(=O)CCCC[NH+]3CCOCC3)CC2)C=C1	REAL300006342300	1	54	0.0	-79.16	416.79	9.03	-70.13
CC[N@H+](CC1=CC=C(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1)C(C)C	REAL300006342303	0	59	0.0	-78.56	447.42	12.54	-66.02
CC[N@@H+](CC1=CC=C(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1)C(C)C	REAL300006342303	1	59	0.0	-80.38	438.16	12.31	-68.07
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342306	0	44	0.0	-69.60	344.83	8.13	-61.47
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342306	1	44	0.0	-68.84	351.56	8.72	-60.12
C[NH+](C)C1(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300006342315	0	44	0.0	-69.28	342.34	9.02	-60.26
O=C([O-])C1=CC=C(C2(CNC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC2)C=C1	REAL300006342361	0	54	0.0	-73.29	424.66	11.81	-61.48
O=C([O-])C1=CC=C(C2(CNC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)C=C1	REAL300006342361	1	54	0.0	-71.76	430.46	12.07	-59.69
O=C([O-])C1=CC=C(C2(CNC(=O)C3CC[NH+](C4CCSC4)CC3)CC2)C=C1	REAL300006342362	0	55	0.0	-81.64	430.72	11.54	-70.10
O=C([O-])C1=CC=C(C2(CNC(=O)CC3([NH+]4CCOCC4)CCCC3)CC2)C=C1	REAL300006342386	0	58	0.0	-74.77	423.08	9.36	-65.41
CCC(C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)[NH+](CC)CC	REAL300006342390	0	52	0.0	-69.56	387.58	9.69	-59.87
CC(C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300006342392	0	53	0.0	-73.59	415.90	11.40	-62.19
CC(C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300006342392	1	53	0.0	-63.16	419.05	11.74	-51.42
C[NH+](C)CC1=CC=C(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=N1	REAL300006342425	0	49	0.0	-79.87	394.78	9.04	-70.83
CCC[NH+](CCC)CCCC(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342431	0	58	0.0	-68.00	446.48	11.94	-56.06
CC[N@H+](C)C(C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1=CC=CC=C1	REAL300006342432	0	53	0.0	-67.15	411.58	11.71	-55.44
CC[N@@H+](C)C(C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1=CC=CC=C1	REAL300006342432	1	53	0.0	-63.42	414.07	11.58	-51.84
C[N@@H+]1CCOC(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300006342434	1	45	0.0	-82.13	363.05	8.03	-74.10
C[N@H+]1CCOC(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300006342434	1	45	0.0	-65.68	361.54	8.23	-57.45
CC[NH+](CC)C(C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1=CC=CC=C1	REAL300006342436	0	56	0.0	-57.48	423.88	11.97	-45.51
CC(C)C1=[NH+]C=CN1CC(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342445	1	48	0.0	-66.48	387.23	10.16	-56.32
C[NH+](C)C(C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1=CC=C(Cl)C=C1	REAL300006342450	1	50	0.0	-72.51	415.64	11.79	-60.72
O=C([O-])C1=CC=C(C2(CNC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC2)C=C1	REAL300006342463	0	54	0.0	-80.54	423.79	12.05	-68.49
O=C([O-])C1=CC=C(C2(CNC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)CC2)C=C1	REAL300006342470	0	57	0.0	-76.06	440.49	12.75	-63.31
C[NH+](C)CC1(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300006342475	0	47	0.0	-64.54	370.66	9.25	-55.29
C[NH+](C)CCCCC(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342484	0	49	0.0	-70.51	389.55	9.91	-60.60
CC(C)C(C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1)[NH+](C)C	REAL300006342493	0	49	0.0	-73.28	369.30	9.66	-63.62
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)CC2)C=C1	REAL300006342506	0	57	0.0	-67.00	443.56	12.73	-54.27
O=C([O-])C1=CC=C(C2(CNC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)CC2)C=C1	REAL300006342506	1	57	0.0	-62.57	443.63	12.74	-49.83
CC1=C(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300006342508	1	48	0.0	-83.53	399.34	9.40	-74.13
O=C([O-])C1=CC=C(C2(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)CC2)C=C1	REAL300006342516	0	57	0.0	-78.71	441.29	12.79	-65.92
O=C([O-])C1=CC=C(C2(CNC(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC2)C=C1	REAL300006342530	1	50	0.0	-82.11	408.60	9.65	-72.46
C[NH+](C)CCC1=CC=C(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300006342531	0	53	0.0	-76.62	424.83	12.10	-64.52
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342542	1	46	0.0	-61.71	374.00	8.66	-53.05
O=C([O-])C1=CC=C(C2(CNC(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)CC2)C=C1	REAL300006342544	1	55	0.0	-80.96	432.43	11.43	-69.53
O=C([O-])C1=CC=C(C2(CNC(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)CC2)C=C1	REAL300006342544	1	55	0.0	-85.99	425.55	11.30	-74.69
CCC[N@H+](C)CC(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342553	0	46	0.0	-69.85	360.81	8.84	-61.01
CCC[N@@H+](C)CC(=O)NCC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006342553	1	46	0.0	-65.21	363.41	9.18	-56.03
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CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300006345484	0	47	0.0	-71.85	373.40	8.17	-63.68
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300006345485	0	52	0.0	-84.60	410.99	8.76	-75.84
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCSCC(=O)[O-])CC1	REAL300006345486	0	43	0.0	-71.05	354.27	7.45	-63.60
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300006345487	0	42	0.0	-63.85	339.05	6.94	-56.91
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC(C(=O)[O-])=NN2C)CC1	REAL300006345488	0	43	0.0	-70.91	342.66	5.66	-65.25
CC1=C[NH+]=CC=C1N1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1	REAL300006345489	0	47	0.0	-79.17	362.51	7.61	-71.56
CC1=C[NH+]=CC=C1N1CCN(C(=O)C(C)(C)CCC(=O)[O-])CC1	REAL300006345490	0	48	0.0	-79.76	353.23	7.29	-72.47
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300006345491	0	46	0.0	-65.52	366.70	8.73	-56.79
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300006345492	0	47	0.0	-73.64	374.46	9.16	-64.48
CC1=C[NH+]=CC=C1N1CCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC1	REAL300006345493	0	44	0.0	-74.21	362.05	7.74	-66.47
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CC1	REAL300006345494	0	49	0.0	-73.14	382.82	9.43	-63.71
CC1=C[NH+]=CC=C1N1CCN(C(=O)COCC2=C(C(=O)[O-])N=CO2)CC1	REAL300006345495	0	46	0.0	-82.64	377.22	4.03	-78.61
CC1=C[NH+]=CC=C1N1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300006345496	0	44	0.0	-68.77	363.60	8.08	-60.69
CC1=C[NH+]=CC=C1N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300006345497	0	46	0.0	-79.86	341.55	7.28	-72.58
CC1=CC=C(C(=O)N2CCN(C3=CC=[NH+]C=C3C)CC2)C=C1C(=O)[O-]	REAL300006345498	0	46	0.0	-77.89	359.40	8.51	-69.38
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300006345499	0	42	0.0	-63.86	339.52	6.16	-57.70
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC(C(=O)[O-])=CN=C2C)CC1	REAL300006345500	0	45	0.0	-65.66	357.33	6.74	-58.92
CC1=C[NH+]=CC=C1N1CCN(C(=O)CN2C=CC(C(=O)[O-])=N2)CC1	REAL300006345501	0	43	0.0	-96.56	350.51	6.38	-90.18
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC1	REAL300006345502	0	49	0.0	-95.92	394.12	7.80	-88.12
CC1=C[NH+]=CC=C1N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300006345503	0	43	0.0	-60.94	329.57	7.00	-53.94
CC1=C[NH+]=CC=C1N1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	REAL300006345504	0	50	0.0	-83.36	384.43	8.05	-75.31
CC1=C[NH+]=CC=C1N1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	REAL300006345505	0	50	0.0	-75.88	387.00	7.09	-68.79
CC1=C[NH+]=CC=C1N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300006345506	0	43	0.0	-60.94	329.57	7.00	-53.94
CC1=C(C(=O)N2CCN(C3=CC=[NH+]C=C3C)CC2)OC(C(=O)[O-])=C1	REAL300006345507	0	43	0.0	-62.48	345.18	7.25	-55.23
CC1=C[NH+]=CC=C1N1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC1	REAL300006345508	0	51	0.0	-78.16	366.95	9.46	-68.70
CC1=C[NH+]=CC=C1N1CCN(C(=O)C(C(=O)[O-])C(C)C)CC1	REAL300006345509	0	45	0.0	-58.29	340.72	7.05	-51.24
CC1=C[NH+]=CC=C1N1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300006345510	0	49	0.0	-71.40	356.31	8.70	-62.70
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300006345512	0	50	0.0	-72.33	383.10	9.52	-62.81
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300006345513	0	50	0.0	-81.38	400.53	8.60	-72.78
CC1=C[NH+]=CC=C1N1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300006345514	0	50	0.0	-95.38	402.46	10.33	-85.05
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2CC3(CC3C(=O)[O-])C2)CC1	REAL300006345515	0	47	0.0	-82.57	366.92	8.61	-73.96
CC1=C[NH+]=CC=C1N1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300006345516	0	43	0.0	-74.93	335.59	7.19	-67.74
CC1=C[NH+]=CC=C1N1CCN(C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)CC1	REAL300006345517	0	49	0.0	-86.20	366.96	8.99	-77.21
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCN(C2=CC=[NH+]C=C2C)CC1	REAL300006345518	0	46	0.0	-68.93	362.80	8.58	-60.35
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2CC(C)(C(=O)[O-])C2)CC1	REAL300006345519	0	46	0.0	-65.38	353.08	7.60	-57.78
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=C(C(=O)[O-])SC=C2)CC1	REAL300006345520	0	40	0.0	-76.49	333.21	7.92	-68.57
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC(C(=O)[O-])=NN2)CC1	REAL300006345521	0	40	0.0	-75.96	325.49	4.68	-71.28
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2C)CC1	REAL300006345522	0	45	0.0	-68.21	353.21	6.63	-61.58
CCCC(C(=O)[O-])C(=O)N1CCN(C2=CC=[NH+]C=C2C)CC1	REAL300006345523	0	45	0.0	-68.50	348.84	7.40	-61.10
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300006345524	0	46	0.0	-71.42	362.05	8.57	-62.85
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300006345525	0	43	0.0	-69.16	360.09	8.41	-60.75
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300006345526	0	50	0.0	-75.63	384.21	9.07	-66.56
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CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C(=O)[O-])N2C)CC1	REAL300006345528	0	44	0.0	-72.23	344.21	7.13	-65.10
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1	REAL300006345529	0	44	0.0	-66.90	331.70	7.18	-59.72
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300006345530	0	49	0.0	-70.03	388.10	9.53	-60.50
CC1=NNC(C(=O)N2CCN(C3=CC=[NH+]C=C3C)CC2)=C1C(=O)[O-]	REAL300006345531	0	43	0.0	-69.25	346.74	4.90	-64.35
CC1=C(C(=O)[O-])C(C(=O)N2CCN(C3=CC=[NH+]C=C3C)CC2)=NN1	REAL300006345531	1	43	0.0	-81.34	339.18	6.42	-74.92
CC1=C[NH+]=CC=C1N1CCN(C(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300006345532	0	46	0.0	-69.93	357.87	8.00	-61.93
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300006345533	0	47	0.0	-77.31	377.64	8.66	-68.65
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CSC(C(=O)[O-])=N2)CC1	REAL300006345534	0	39	0.0	-58.81	330.84	5.88	-52.93
CC1=C[NH+]=CC=C1N1CCN(C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])CC1	REAL300006345535	0	43	0.0	-59.06	329.58	6.78	-52.28
CC1=C(C(=O)N2CCN(C3=CC=[NH+]C=C3C)CC2)C=C(C(=O)[O-])S1	REAL300006345536	0	43	0.0	-68.06	356.40	7.72	-60.34
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300006345537	0	43	0.0	-73.36	372.15	8.46	-64.90
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCN(C3=CC=[NH+]C=C3C)CC2)=C1	REAL300006345538	0	47	0.0	-71.61	384.49	7.58	-64.03
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)CC1	REAL300006345539	0	46	0.0	-63.56	368.83	8.51	-55.05
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300006345540	0	46	0.0	-86.00	375.73	9.04	-76.96
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300006345541	0	48	0.0	-73.91	377.70	7.81	-66.10
CC1=C[NH+]=CC=C1N1CCN(C(=O)C23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006345542	0	45	0.0	-67.92	351.94	6.10	-61.82
CC1=C[NH+]=CC=C1N1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006345543	0	47	0.0	-77.05	377.69	9.44	-67.61
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2(C(=O)[O-])CC2C)CC1	REAL300006345544	0	43	0.0	-70.18	333.13	6.94	-63.24
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300006345545	0	50	0.0	-66.17	373.80	8.68	-57.49
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300006345546	0	43	0.0	-68.46	350.88	5.58	-62.88
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300006345547	0	44	0.0	-65.66	366.02	7.46	-58.20
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300006345548	0	44	0.0	-72.83	366.46	7.61	-65.22
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300006345549	0	44	0.0	-66.59	357.56	6.61	-59.98
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300006345550	0	46	0.0	-74.19	358.64	8.53	-65.66
CC1=C[NH+]=CC=C1N1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300006345551	0	46	0.0	-77.81	373.61	7.63	-70.18
C=C1CCC1(C(=O)[O-])C(=O)N1CCN(C2=CC=[NH+]C=C2C)CC1	REAL300006345552	0	44	0.0	-68.22	340.14	7.34	-60.88
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300006345553	0	40	0.0	-81.16	333.75	6.78	-74.38
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CC1=C[NH+]=CC=C1N1CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300006345558	0	43	0.0	-80.82	360.46	8.10	-72.72
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C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300006350223	0	55	0.0	-73.63	414.59	8.19	-65.44
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300006350223	1	55	0.0	-76.43	414.07	8.07	-68.36
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300006350224	0	56	0.0	-73.78	420.99	9.91	-63.87
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300006350325	0	57	0.0	-77.74	428.39	7.86	-69.88
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300006350329	0	46	0.0	-73.27	355.41	8.74	-64.53
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006350330	0	53	0.0	-68.52	398.96	10.47	-58.05
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006350330	1	53	0.0	-67.97	398.42	10.44	-57.53
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300006350386	0	46	0.0	-58.93	348.18	8.98	-49.95
CC[NH+]1CCN(CCC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300006350388	0	51	0.0	-69.47	375.91	5.92	-63.55
CCN1CC[NH+](CCC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300006350388	1	51	0.0	-69.09	375.91	5.91	-63.18
CC(C)C(C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300006350391	0	52	0.0	-62.36	366.23	9.35	-53.01
C[NH+](C)C(C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300006350392	1	46	0.0	-64.87	352.49	8.76	-56.11
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006350396	0	51	0.0	-67.69	390.30	6.70	-60.99
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006350396	1	51	0.0	-67.63	391.56	6.72	-60.91
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300006350401	1	47	0.0	-62.59	363.34	8.43	-54.16
C[NH+](C)CC1=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)OC2=CC=CC=C21	REAL300006350402	0	49	0.0	-65.00	377.09	9.11	-55.89
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300006350406	0	50	0.0	-62.75	360.68	8.83	-53.92
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300006350406	1	50	0.0	-64.22	355.94	8.66	-55.56
CC(C)C(C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006350430	1	56	0.0	-63.62	400.32	7.82	-55.80
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=CC=C1N2	REAL300006350458	1	51	0.0	-77.54	391.00	9.17	-68.37
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=CC=C1N2	REAL300006350458	1	51	0.0	-77.41	390.45	9.17	-68.24
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)O1	REAL300006350510	0	49	0.0	-71.04	373.16	8.16	-62.88
CC1=CC=C(N2CCC(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)[NH+]=C1	REAL300006350511	1	52	0.0	-66.45	391.62	8.18	-58.27
C[N@H+](CC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006350512	1	46	0.0	-70.01	354.49	8.87	-61.14
C[N@@H+](CC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006350512	1	46	0.0	-69.91	354.02	8.86	-61.05
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300006350515	0	58	0.0	-75.71	419.52	8.90	-66.81
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300006350526	1	41	0.0	-76.17	336.61	6.70	-69.47
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300006350560	0	53	0.0	-71.40	402.85	10.45	-60.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300006350560	1	53	0.0	-70.85	399.04	10.34	-60.51
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300006350578	0	54	0.0	-75.57	419.80	9.73	-65.84
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006350596	0	50	0.0	-71.71	382.39	8.86	-62.85
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006350627	0	52	0.0	-71.27	391.26	8.48	-62.79
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006350627	1	52	0.0	-68.53	390.47	8.58	-59.95
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300006350866	0	54	0.0	-72.47	406.71	10.78	-61.69
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300006350866	1	54	0.0	-73.43	407.51	10.73	-62.70
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300006350898	1	53	0.0	-62.98	402.93	10.49	-52.49
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300006350898	1	53	0.0	-64.69	392.94	10.31	-54.38
C[N@@H+]1CC(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006350981	0	43	0.0	-75.40	334.92	6.83	-68.57
C[N@H+]1CC(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006350981	1	43	0.0	-77.00	341.27	6.99	-70.01
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300006351413	0	49	0.0	-74.43	377.95	9.59	-64.84
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300006351419	0	50	0.0	-75.18	385.79	8.57	-66.61
O=C([O-])[C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006351498	0	56	0.0	-71.49	417.02	11.20	-60.29
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)CCO1	REAL300006351500	1	54	0.0	-77.48	402.81	8.92	-68.56
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)CCO1	REAL300006351500	1	54	0.0	-77.60	402.82	8.92	-68.68
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300006351586	0	52	0.0	-66.51	378.47	8.97	-57.54
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300006351586	1	52	0.0	-66.51	378.47	8.97	-57.54
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300006351594	0	52	0.0	-71.25	367.31	8.38	-62.87
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300006351594	1	52	0.0	-71.25	367.31	8.38	-62.87
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCN1S(C)(=O)=O	REAL300006351680	0	51	0.0	-57.63	376.84	5.30	-52.33
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC(F)(F)C(F)(F)F)C1	REAL300006351809	0	42	0.0	-50.03	349.79	7.20	-42.83
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=C(F)C=C(F)C=C1F	REAL300006351940	0	43	0.0	-45.94	342.93	8.49	-37.45
CC1CN2N=CC=C2CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006352030	0	44	0.0	-52.90	328.91	7.19	-45.71
CC1CN2N=CC=C2CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006352030	1	44	0.0	-49.78	321.38	6.72	-43.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(CC(F)F)C2)C1	REAL300006352173	0	46	0.0	-45.95	338.46	8.52	-37.43
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(CC(F)F)C2)C1	REAL300006352173	1	46	0.0	-49.05	345.15	8.99	-40.06
CC(F)(F)C1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006352291	0	46	0.0	-48.63	352.69	9.26	-39.37
CC(F)(F)C1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006352291	1	46	0.0	-47.22	358.85	9.28	-37.94
C[C@@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=C(F)C=C(F)C=C1F	REAL300006352418	0	43	0.0	-44.58	342.18	8.03	-36.55
C[C@@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=C(F)C=C(F)C=C1F	REAL300006352418	1	43	0.0	-46.48	343.05	8.49	-37.99
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006353726	0	51	0.0	-83.58	408.34	9.96	-73.62
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=CNC4=CC=CC(F)=C34)C(=O)[O-])CN12	REAL300006353748	1	49	0.0	-76.15	402.11	9.63	-66.52
C[NH+](C)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006353794	0	40	0.0	-61.64	326.93	7.10	-54.54
CC(C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006353795	1	52	0.0	-76.42	392.44	6.71	-69.71
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006353820	0	47	0.0	-67.82	376.50	8.49	-59.33
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006353820	1	47	0.0	-71.77	367.16	8.31	-63.46
C[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300006353858	0	47	0.0	-76.19	371.51	8.77	-67.42
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006353885	0	42	0.0	-83.90	364.66	10.39	-73.51
C[NH+](C)CC1(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CCCCC1	REAL300006353906	0	56	0.0	-91.93	413.44	10.19	-81.74
C[N@H+](CCC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CCCCC1	REAL300006353909	0	56	0.0	-79.69	432.66	10.55	-69.14
C[N@@H+](CCC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CCCCC1	REAL300006353909	1	56	0.0	-80.66	432.66	10.54	-70.12
C[N@@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006353921	0	44	0.0	-77.01	354.49	7.44	-69.57
C[N@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006353921	1	44	0.0	-71.20	360.74	7.94	-63.26
C[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300006353960	0	47	0.0	-76.19	371.51	8.77	-67.42
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006353992	1	48	0.0	-70.27	397.90	9.99	-60.28
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCCC[NH+]1CCOCC1	REAL300006353993	1	54	0.0	-79.48	425.20	8.68	-70.80
C[C@@H](C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])[NH+](C)C	REAL300006353997	0	43	0.0	-61.71	344.19	7.55	-54.16
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006353998	0	44	0.0	-55.29	344.39	7.65	-47.64
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006353998	1	44	0.0	-59.09	347.03	8.05	-51.04
C[C@H](C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])[NH+](C)C	REAL300006354001	0	43	0.0	-59.50	345.14	7.51	-51.99
CCC(C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])[NH+](CC)CC	REAL300006354054	0	52	0.0	-57.44	389.31	9.17	-48.27
CC(C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006354056	0	53	0.0	-58.22	421.61	11.19	-47.03
CC(C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006354056	1	53	0.0	-76.34	429.27	10.88	-65.46
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C=N1	REAL300006354069	0	49	0.0	-94.10	408.45	8.90	-85.20
CCC[NH+](CCC)CCCC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354071	0	58	0.0	-73.54	445.03	11.01	-62.53
C[N@@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006354072	1	45	0.0	-71.61	347.54	7.01	-64.60
C[N@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006354072	1	45	0.0	-87.23	364.81	7.15	-80.08
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354080	1	48	0.0	-59.50	392.59	9.84	-49.66
C[NH+](C)CC1(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300006354089	0	47	0.0	-87.80	385.15	8.74	-79.06
C[NH+](C)CCCCC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354093	0	49	0.0	-78.52	392.29	9.23	-69.29
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C=C1	REAL300006354112	0	53	0.0	-93.51	424.53	11.29	-82.22
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354116	1	46	0.0	-63.03	373.69	8.08	-54.95
CCC[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354120	0	46	0.0	-72.12	373.47	8.37	-63.75
CCC[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354120	1	46	0.0	-72.05	373.48	8.37	-63.68
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CCC1	REAL300006354132	0	47	0.0	-57.19	373.16	9.08	-48.11
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CCC1	REAL300006354132	1	47	0.0	-57.99	373.05	9.08	-48.91
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])CC(C)(C)C	REAL300006354148	0	52	0.0	-71.79	402.08	9.36	-62.43
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])CC(C)(C)C	REAL300006354148	1	52	0.0	-71.91	404.62	9.46	-62.45
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354150	0	53	0.0	-74.53	433.39	11.39	-63.14
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354150	1	53	0.0	-74.55	433.38	11.39	-63.16
CC[C@@H](C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])[NH+](C)C	REAL300006354152	0	46	0.0	-64.28	359.56	8.26	-56.02
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006354154	0	51	0.0	-81.85	401.94	7.30	-74.55
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006354154	1	51	0.0	-61.45	397.04	7.52	-53.93
CCCCCC[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354165	0	55	0.0	-60.44	430.66	10.85	-49.59
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354165	1	55	0.0	-73.23	437.97	10.71	-62.52
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006354177	1	42	0.0	-92.39	364.92	10.41	-81.98
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CCSC1	REAL300006354184	0	48	0.0	-60.29	386.18	9.40	-50.89
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CCSC1	REAL300006354184	1	48	0.0	-74.15	395.24	9.10	-65.05
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006354198	0	51	0.0	-67.08	398.79	9.80	-57.28
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1CCCC2CCC[N@H+]21	REAL300006354198	1	51	0.0	-71.96	388.03	9.41	-62.55
C[NH+](C)CCN1C=C(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C=N1	REAL300006354199	0	50	0.0	-85.49	408.54	8.57	-76.92
C[NH+](C)CCN1C=CC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=N1	REAL300006354225	0	50	0.0	-94.38	411.60	8.62	-85.76
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354226	0	50	0.0	-60.75	391.21	8.36	-52.39
C[C@@H]1[C@H](C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC[N@@H+]1C	REAL300006354228	0	47	0.0	-73.52	362.69	8.22	-65.30
C[C@@H]1[C@H](C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC[N@H+]1C	REAL300006354228	1	47	0.0	-80.37	373.60	8.14	-72.23
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354229	1	51	0.0	-75.04	420.20	10.16	-64.88
CC[C@@H]1[C@@H](C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC[N@@H+]1C	REAL300006354232	0	50	0.0	-75.10	381.43	8.79	-66.31
CC[C@@H]1[C@@H](C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC[N@H+]1C	REAL300006354232	1	50	0.0	-76.61	395.52	9.10	-67.51
CC1C[N@H+](C)CC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])O1	REAL300006354238	1	48	0.0	-86.71	386.11	8.12	-78.59
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])O1	REAL300006354238	1	48	0.0	-81.95	373.60	7.73	-74.22
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C[NH+]1CCCC1	REAL300006354243	0	44	0.0	-72.90	359.98	8.02	-64.88
CC1=[NH+]C=CN1CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354245	1	42	0.0	-58.40	356.13	8.78	-49.62
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354247	0	51	0.0	-80.62	405.56	7.68	-72.94
CC1CC[NH+](CC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300006354266	0	50	0.0	-72.49	397.20	9.45	-63.04
CC[N@@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006354277	1	48	0.0	-94.80	389.69	7.99	-86.81
CC[N@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006354277	1	48	0.0	-86.04	389.69	7.98	-78.06
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354305	0	50	0.0	-74.45	393.48	9.63	-64.82
C[N@H+]1CCCC1CCC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354305	1	50	0.0	-80.50	396.15	8.96	-71.54
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006354313	0	51	0.0	-59.78	387.53	9.64	-50.14
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1CCC2CCCC[N@H+]21	REAL300006354313	1	51	0.0	-56.37	387.41	9.64	-46.73
CC[NH+](CC)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354329	0	46	0.0	-58.31	358.28	8.25	-50.06
CC(C)[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300006354331	0	53	0.0	-72.56	405.83	9.95	-62.61
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C12CC[NH+](CC1)C2	REAL300006354390	0	45	0.0	-74.88	357.97	7.67	-67.21
CCC(C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])[NH+](C)C	REAL300006354393	0	46	0.0	-56.73	357.42	8.08	-48.65
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C12CC[N@H+](C1)CCC2	REAL300006354400	0	48	0.0	-85.28	375.83	8.17	-77.11
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300006354400	1	48	0.0	-80.87	361.88	8.20	-72.67
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354428	0	50	0.0	-69.79	391.52	8.78	-61.01
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=C1	REAL300006354429	0	50	0.0	-90.56	412.64	10.38	-80.18
C#CC[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300006354464	0	49	0.0	-93.43	404.25	9.76	-83.67
CC[NH+]1CCN(CCC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300006354466	0	55	0.0	-88.28	432.60	7.51	-80.77
CCN1CC[NH+](CCC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300006354466	1	55	0.0	-78.95	432.86	7.60	-71.35
CC(C)[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354467	0	46	0.0	-70.16	368.66	8.14	-62.02
CC(C)[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354467	1	46	0.0	-70.15	368.91	8.08	-62.07
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354471	1	51	0.0	-65.32	412.34	10.25	-55.07
CC[N@H+](CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CC1	REAL300006354476	0	47	0.0	-73.03	375.34	8.52	-64.51
CC[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CC1	REAL300006354476	1	47	0.0	-70.86	380.86	8.87	-61.99
CC(C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])[NH+]1CCCCCC1	REAL300006354491	0	53	0.0	-68.21	405.34	9.73	-58.48
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354494	0	44	0.0	-60.73	352.99	8.14	-52.59
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354494	1	44	0.0	-63.39	346.66	7.71	-55.68
CC(C)(C)[NH2+]CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354539	0	46	0.0	-58.09	365.88	6.82	-51.27
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCCC[NH+]1CCCC1	REAL300006354540	0	53	0.0	-85.40	425.58	10.26	-75.14
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])CC1=CC=CC=C1	REAL300006354542	1	50	0.0	-61.82	403.59	10.69	-51.13
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])CC1=CC=CC=C1	REAL300006354542	1	50	0.0	-76.20	411.20	10.48	-65.72
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006354562	1	45	0.0	-84.42	383.76	8.46	-75.96
C[NH+](C)CC1=CC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=NO1	REAL300006354573	1	46	0.0	-86.58	386.04	8.14	-78.44
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354583	0	50	0.0	-71.38	393.37	9.02	-62.36
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300006354583	1	50	0.0	-60.43	384.30	9.16	-51.27
C[NH+]1CCC(OCC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300006354597	0	51	0.0	-82.14	406.88	9.19	-72.95
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006354696	0	53	0.0	-68.64	405.09	9.98	-58.66
CCC[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006354696	1	53	0.0	-78.45	418.02	9.97	-68.48
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006354712	1	51	0.0	-73.63	408.28	6.07	-67.56
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006354837	0	53	0.0	-57.02	397.24	10.09	-46.93
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006354837	1	53	0.0	-68.45	407.13	9.88	-58.57
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])N1	REAL300006354854	1	48	0.0	-75.35	404.72	8.17	-67.18
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=C1	REAL300006355122	0	53	0.0	-92.84	435.13	11.21	-81.63
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006355210	0	47	0.0	-86.87	384.05	8.61	-78.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300006355214	0	53	0.0	-69.66	406.78	9.58	-60.08
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=CNC4=CC=CC(F)=C34)C(=O)[O-])=CN21	REAL300006355217	0	45	0.0	-80.27	386.07	10.18	-70.09
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006355253	0	56	0.0	-78.69	435.43	10.65	-68.04
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006355253	1	56	0.0	-63.81	412.45	10.81	-53.00
CC[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006355254	0	50	0.0	-71.55	390.50	9.37	-62.18
CC[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006355254	1	50	0.0	-69.03	388.24	9.41	-59.62
C[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006355259	0	47	0.0	-58.46	364.39	8.96	-49.50
C[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300006355259	1	47	0.0	-72.19	371.26	8.78	-63.41
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])O1	REAL300006355261	1	47	0.0	-83.95	390.67	8.95	-75.00
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006355269	0	49	0.0	-70.86	387.09	9.77	-61.09
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006355269	1	49	0.0	-83.86	373.89	9.66	-74.20
COC1=CC=C2NC=C(CC(NC(=O)C3CC[NH+](C4CC4)CC3)C(=O)[O-])C2=C1	REAL300006356212	0	55	0.0	-69.09	422.75	9.11	-59.98
COC1=CC=C2NC=C(CC(NC(=O)C3CCC4=C[NH+]=C(C)N4C3)C(=O)[O-])C2=C1	REAL300006356230	1	53	0.0	-74.45	425.67	8.93	-65.52
COC1=CC=C2NC=C(CC(NC(=O)C[NH+](C)C)C(=O)[O-])C2=C1	REAL300006356264	0	44	0.0	-59.33	353.44	6.24	-53.09
COC1=CC=C2NC=C(CC(NC(=O)C(C)N3CC[NH+](C)CC3)C(=O)[O-])C2=C1	REAL300006356265	1	56	0.0	-72.54	418.53	5.92	-66.62
COC1=CC=C2NC=C(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C(=O)[O-])C2=C1	REAL300006356288	0	51	0.0	-69.78	390.72	7.62	-62.16
COC1=CC=C2NC=C(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C(=O)[O-])C2=C1	REAL300006356288	1	51	0.0	-65.70	400.04	7.79	-57.91
COC1=CC=C2NC=C(CC(NC(=O)C3CC[NH+](C)CC3)C(=O)[O-])C2=C1	REAL300006356314	0	51	0.0	-72.34	397.70	7.97	-64.37
COC1=CC=C2NC=C(CC(NC(=O)C3=CN4C=[NH+]C=C4C=C3)C(=O)[O-])C2=C1	REAL300006356333	0	46	0.0	-82.15	388.22	9.70	-72.45
COC1=CC=C2NC=C(CC(NC(=O)C3CCC[N@@H+]3C)C(=O)[O-])C2=C1	REAL300006356358	0	48	0.0	-69.83	384.54	7.18	-62.65
COC1=CC=C2NC=C(CC(NC(=O)C3CCC[N@H+]3C)C(=O)[O-])C2=C1	REAL300006356358	1	48	0.0	-56.85	378.41	7.33	-49.52
COC1=CC=C2NC=C(CC(NC(=O)C3CC[NH+](C)CC3)C(=O)[O-])C2=C1	REAL300006356388	0	51	0.0	-72.34	397.70	7.97	-64.37
COC1=CC=C2NC=C(CC(NC(=O)CCCN3C=C[NH+]=C3C)C(=O)[O-])C2=C1	REAL300006356410	1	52	0.0	-67.98	424.42	9.16	-58.82
COC1=CC=C2NC=C(CC(NC(=O)[C@H](C)[NH+](C)C)C(=O)[O-])C2=C1	REAL300006356413	0	47	0.0	-59.08	370.66	6.70	-52.38
COC1=CC=C2NC=C(CC(NC(=O)[C@H]3CCC[N@@H+]3C)C(=O)[O-])C2=C1	REAL300006356414	0	48	0.0	-71.52	383.08	7.26	-64.26
COC1=CC=C2NC=C(CC(NC(=O)[C@H]3CCC[N@H+]3C)C(=O)[O-])C2=C1	REAL300006356414	1	48	0.0	-55.37	373.45	6.80	-48.57
COC1=CC=C2NC=C(CC(NC(=O)[C@@H](C)[NH+](C)C)C(=O)[O-])C2=C1	REAL300006356417	0	47	0.0	-55.93	370.70	6.70	-49.23
CCC(C(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-])[NH+](CC)CC	REAL300006356466	0	56	0.0	-52.79	419.06	8.48	-44.31
COC1=CC=C2NC=C(CC(NC(=O)C3=CC=C(C[NH+](C)C)N=C3)C(=O)[O-])C2=C1	REAL300006356478	0	53	0.0	-92.95	432.22	8.15	-84.80
COC1=CC=C2NC=C(CC(NC(=O)C3C[N@H+](C)CCO3)C(=O)[O-])C2=C1	REAL300006356480	1	49	0.0	-66.21	388.54	6.41	-59.80
COC1=CC=C2NC=C(CC(NC(=O)C3C[N@@H+](C)CCO3)C(=O)[O-])C2=C1	REAL300006356480	1	49	0.0	-85.57	388.58	6.39	-79.18
COC1=CC=C2NC=C(CC(NC(=O)CN3C=C[NH+]=C3C(C)C)C(=O)[O-])C2=C1	REAL300006356488	1	52	0.0	-56.55	418.77	9.06	-47.49
COC1=CC=C2NC=C(CC(NC(=O)C3(C[NH+](C)C)CC3)C(=O)[O-])C2=C1	REAL300006356495	0	51	0.0	-85.92	408.39	7.96	-77.96
COC1=CC=C2NC=C(CC(NC(=O)CCCC[NH+](C)C)C(=O)[O-])C2=C1	REAL300006356499	0	53	0.0	-76.15	418.81	8.38	-67.77
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300006356520	1	50	0.0	-59.12	402.10	7.38	-51.74
CCC[N@H+](C)CC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300006356524	0	50	0.0	-70.81	397.29	7.60	-63.21
CCC[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300006356524	1	50	0.0	-71.57	397.53	7.54	-64.03
COC1=CC=C2NC=C(CC(NC(=O)C[N@H+](C)C3CCC3)C(=O)[O-])C2=C1	REAL300006356535	0	51	0.0	-56.01	399.56	8.23	-47.78
COC1=CC=C2NC=C(CC(NC(=O)C[N@@H+](C)C3CCC3)C(=O)[O-])C2=C1	REAL300006356535	1	51	0.0	-54.42	399.33	8.31	-46.11
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COC1=CC=C2NC=C(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])C2=C1	REAL300006356547	1	56	0.0	-56.86	421.18	8.67	-48.19
CC[C@@H](C(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-])[NH+](C)C	REAL300006356549	0	50	0.0	-56.60	382.73	7.31	-49.29
COC1=CC=C2NC=C(CC(NC(=O)CC3(O)CCC[N@H+](C)C3)C(=O)[O-])C2=C1	REAL300006356551	0	55	0.0	-60.30	423.75	6.60	-53.70
COC1=CC=C2NC=C(CC(NC(=O)CC3(O)CCC[N@@H+](C)C3)C(=O)[O-])C2=C1	REAL300006356551	1	55	0.0	-79.99	425.50	6.61	-73.38
CCCCCC[N@H+](C)CC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300006356562	0	59	0.0	-71.93	461.78	9.94	-61.99
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300006356562	1	59	0.0	-72.55	462.02	9.88	-62.67
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COC1=CC=C2NC=C(CC(NC(=O)C[N@H+](C)C3CCSC3)C(=O)[O-])C2=C1	REAL300006356575	0	52	0.0	-60.78	412.71	8.49	-52.29
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COC1=CC=C2NC=C(CC(NC(=O)C3CCCC4CCC[N@H+]43)C(=O)[O-])C2=C1	REAL300006356587	1	55	0.0	-73.09	414.45	8.68	-64.41
COC1=CC=C2NC=C(CC(NC(=O)C3=CN(CC[NH+](C)C)N=C3)C(=O)[O-])C2=C1	REAL300006356588	0	54	0.0	-83.48	437.75	7.74	-75.74
COC1=CC=C2NC=C(CC(NC(=O)C3=NN(CC[NH+](C)C)C=C3)C(=O)[O-])C2=C1	REAL300006356606	0	54	0.0	-91.53	438.00	7.77	-83.76
COC1=CC=C2NC=C(CC(NC(=O)C3=CC=NN3CC[NH+](C)C)C(=O)[O-])C2=C1	REAL300006356607	0	54	0.0	-66.83	437.47	7.62	-59.21
COC1=CC=C2NC=C(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(=O)[O-])C2=C1	REAL300006356609	0	51	0.0	-70.56	389.36	7.31	-63.25
COC1=CC=C2NC=C(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(=O)[O-])C2=C1	REAL300006356609	1	51	0.0	-80.61	399.30	7.32	-73.29
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300006356610	1	55	0.0	-74.36	444.25	9.33	-65.03
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COC1=CC=C2NC=C(CC(NC(=O)C3C[N@@H+](C)CC(C)O3)C(=O)[O-])C2=C1	REAL300006356616	1	52	0.0	-86.17	410.12	7.30	-78.87
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COC1=CC=C2NC=C(CC(NC(=O)CN3C=C[NH+]=C3C)C(=O)[O-])C2=C1	REAL300006356623	1	46	0.0	-56.52	382.51	7.94	-48.58
COC1=CC=C2NC=C(CC(NC(=O)C(C)C[NH+]3CCOCC3)C(=O)[O-])C2=C1	REAL300006356625	0	55	0.0	-79.95	429.60	6.85	-73.10
COC1=CC=C2NC=C(CC(NC(=O)C[NH+]3CCC(C)CC3)C(=O)[O-])C2=C1	REAL300006356642	0	54	0.0	-57.43	416.41	8.74	-48.69
CC[N@@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=C(OC)C=C23)C(=O)[O-])C1	REAL300006356648	1	52	0.0	-93.36	413.49	7.23	-86.13
CC[N@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=C(OC)C=C23)C(=O)[O-])C1	REAL300006356648	1	52	0.0	-84.87	413.47	7.22	-77.65
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COC1=CC=C2NC=C(CC(NC(=O)C3CCC4CCCC[N@@H+]43)C(=O)[O-])C2=C1	REAL300006356676	0	55	0.0	-58.02	414.28	8.72	-49.30
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COC1=CC=C2NC=C(CC(NC(=O)C3CC[NH+](C(C)C)CC3)C(=O)[O-])C2=C1	REAL300006356688	0	57	0.0	-69.50	432.25	9.09	-60.41
COC1=CC=C2NC=C(CC(NC(=O)C34CC[NH+](CC3)C4)C(=O)[O-])C2=C1	REAL300006356730	0	49	0.0	-71.74	384.83	6.76	-64.98
CCC(C(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-])[NH+](C)C	REAL300006356733	0	50	0.0	-54.78	383.95	7.24	-47.54
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COC1=CC=C2NC=C(CC(NC(=O)C[N@H+](C)C(C)C)C(=O)[O-])C2=C1	REAL300006356793	0	50	0.0	-68.06	392.47	7.39	-60.67
COC1=CC=C2NC=C(CC(NC(=O)C[N@@H+](C)C(C)C)C(=O)[O-])C2=C1	REAL300006356793	1	50	0.0	-68.94	392.47	7.38	-61.56
COC1=CC=C2NC=C(CC(NC(=O)CCN3C=C[NH+]=C3C(C)C)C(=O)[O-])C2=C1	REAL300006356797	1	55	0.0	-62.51	438.60	9.47	-53.04
CC[N@H+](CC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-])C1CC1	REAL300006356802	0	51	0.0	-67.52	406.65	8.22	-59.30
CC[N@@H+](CC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-])C1CC1	REAL300006356802	1	51	0.0	-68.93	404.42	8.17	-60.76
COC1=CC=C2NC=C(CC(NC(=O)C(C)[NH+]3CCCCCC3)C(=O)[O-])C2=C1	REAL300006356815	0	57	0.0	-68.49	428.12	8.60	-59.89
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COC1=CC=C2NC=C(CC(NC(=O)C3=NOC(C[NH+](C)C)=C3)C(=O)[O-])C2=C1	REAL300006356882	1	50	0.0	-84.17	412.45	7.30	-76.87
COC1=CC=C2NC=C(CC(NC(=O)C3CCC[N@@H+]3C(C)C)C(=O)[O-])C2=C1	REAL300006356891	0	54	0.0	-56.66	410.60	8.37	-48.29
COC1=CC=C2NC=C(CC(NC(=O)C3CCC[N@H+]3C(C)C)C(=O)[O-])C2=C1	REAL300006356891	1	54	0.0	-70.15	417.18	8.26	-61.89
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CCC[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=C(OC)C=C23)C(=O)[O-])C1	REAL300006356977	0	57	0.0	-66.46	432.61	9.10	-57.36
CCC[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=C(OC)C=C23)C(=O)[O-])C1	REAL300006356977	1	57	0.0	-77.15	441.80	9.21	-67.94
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CCC(C(=O)[O-])N(CC)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300006360266	0	55	0.0	-74.90	416.88	13.20	-61.70
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300006360266	1	55	0.0	-77.98	416.04	13.13	-64.85
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COC1(C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])CCC1	REAL300006371978	0	50	0.0	-82.68	385.32	7.97	-74.71
COC1(C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])CCC1	REAL300006371985	0	51	0.0	-78.71	392.09	6.82	-71.89
COC1(C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])CCC1	REAL300006372067	0	57	0.0	-65.84	423.79	9.50	-56.34
COC1(C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(=O)[O-])CCC1	REAL300006372069	1	55	0.0	-87.87	410.54	7.40	-80.47
COC1(C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(=O)[O-])CCC1	REAL300006372069	1	55	0.0	-87.08	409.38	8.50	-78.58
COC1(C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])CCC1	REAL300006372097	0	50	0.0	-58.67	356.95	6.35	-52.32
COC1(C(NC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C(=O)[O-])CCC1	REAL300006372102	0	42	0.0	-70.13	335.53	7.93	-62.20
COC1(C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C(=O)[O-])CCC1	REAL300006372151	0	53	0.0	-68.57	386.30	7.40	-61.17
COC1(C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])CCC1	REAL300006372151	1	53	0.0	-68.75	385.14	7.40	-61.35
COC1(C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])CCC1	REAL300006372157	1	44	0.0	-82.65	349.69	6.13	-76.52
COC1(C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])CCC1	REAL300006372165	1	46	0.0	-57.21	340.39	6.07	-51.14
COC1(C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])CCC1	REAL300006372165	1	46	0.0	-53.11	338.35	5.81	-47.30
CC1=NC(C2=CC=C(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=NO1	REAL300006372251	0	48	0.0	-52.52	382.79	6.73	-45.79
CC1=NC(C2=CC=C(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=NO1	REAL300006372251	1	48	0.0	-51.74	380.88	6.29	-45.45
CC1(C)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C[C@@H]2CCO[C@@H]21	REAL300006372380	0	54	0.0	-46.67	374.14	8.78	-37.89
CC1(C)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C[C@@H]2CCO[C@@H]21	REAL300006372380	1	54	0.0	-42.77	366.58	8.44	-34.33
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCOCC12CCCC2	REAL300006372622	0	54	0.0	-49.65	382.99	7.42	-42.23
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CCOCC12CCCC2	REAL300006372622	1	54	0.0	-49.12	382.35	7.39	-41.73
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(CCC3)CC2)C1	REAL300006372713	0	50	0.0	-46.15	345.33	9.67	-36.48
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(CCC3)CC2)C1	REAL300006372713	1	50	0.0	-43.14	341.06	9.52	-33.62
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3CCCC2C3CO)C1	REAL300006372779	0	48	0.0	-46.93	334.51	5.85	-41.08
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3CCCC2C3CO)C1	REAL300006372779	1	48	0.0	-43.74	332.60	5.42	-38.32
O=C([O-])C12CC(CNC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)(C1)OC2	REAL300006374234	0	52	0.0	-73.10	403.01	8.44	-64.66
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)(C1)OC2	REAL300006374990	0	49	0.0	-62.50	379.99	7.34	-55.16
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)(C1)OC2	REAL300006374990	1	49	0.0	-63.33	385.55	7.88	-55.45
O=C([O-])C12CC(CNC(=O)C3CC[NH+](C4CC4)CC3)(C1)OC2	REAL300006375924	0	46	0.0	-67.47	351.32	6.07	-61.40
CC1=[NH+]C=C2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)CN21	REAL300006375954	1	44	0.0	-61.28	349.55	5.94	-55.34
O=C([O-])C12CC(CNC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)(C1)OC2	REAL300006375955	0	52	0.0	-67.79	395.04	7.97	-59.82
CC1=NC(C[NH+]2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)CC2)=CS1	REAL300006376029	1	51	0.0	-71.75	410.42	6.20	-65.55
CC(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)N1CC[NH+](C)CC1	REAL300006376030	1	47	0.0	-67.90	352.94	3.04	-64.86
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=C1	REAL300006376116	0	55	0.0	-71.90	435.98	7.95	-63.95
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=C1	REAL300006376128	0	55	0.0	-75.58	436.86	10.30	-65.28
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=C1	REAL300006376128	1	55	0.0	-75.57	436.80	10.30	-65.27
CC1(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006376130	0	55	0.0	-65.60	415.80	8.88	-56.72
O=C([O-])C12CC(CNC(=O)C3=CN4C=[NH+]C=C4C=C3)(C1)OC2	REAL300006376189	0	37	0.0	-68.25	312.08	6.71	-61.54
C[NH+](C)CC1(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)CCCCC1	REAL300006376219	0	51	0.0	-67.22	366.48	6.90	-60.32
C[N@H+](CCC(=O)NCC12CC(C(=O)[O-])(C1)CO2)C1CCCCC1	REAL300006376223	0	51	0.0	-68.22	380.32	6.81	-61.41
C[N@@H+](CCC(=O)NCC12CC(C(=O)[O-])(C1)CO2)C1CCCCC1	REAL300006376223	1	51	0.0	-68.18	380.33	6.80	-61.38
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)(C1)OC2	REAL300006376247	1	49	0.0	-69.15	393.83	7.99	-61.16
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)(C1)OC2	REAL300006376247	1	49	0.0	-67.85	391.95	7.95	-59.90
O=C([O-])C12CC(CNC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)(C1)OC2	REAL300006376303	0	45	0.0	-71.22	371.15	5.82	-65.40
C[NH+](C)CCN1N=CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=C1C1=CC=CC=C1	REAL300006376308	0	55	0.0	-74.64	439.45	8.04	-66.60
O=C([O-])C12CC(CNC(=O)C3CCCC[N@@H+]3C3CCCC3)(C1)OC2	REAL300006376332	0	52	0.0	-60.10	379.86	7.01	-53.09
O=C([O-])C12CC(CNC(=O)C3CCCC[N@H+]3C3CCCC3)(C1)OC2	REAL300006376332	1	52	0.0	-60.91	374.60	7.19	-53.72
O=C([O-])C12CC(CNC(=O)C3CCC([NH+]4CCOCC4)CC3)(C1)OC2	REAL300006376333	0	53	0.0	-71.80	393.63	5.48	-66.32
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376365	1	43	0.0	-65.08	352.88	6.11	-58.97
O=C(CCCC[NH+]1CCOCC1)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376366	1	49	0.0	-71.63	380.18	4.80	-66.83
CC[N@H+](CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=C1)C(C)C	REAL300006376368	0	54	0.0	-70.60	405.04	8.13	-62.47
CC[N@@H+](CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=C1)C(C)C	REAL300006376368	1	54	0.0	-70.66	399.42	7.87	-62.79
O=C([O-])C12CC(CNC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)(C1)OC2	REAL300006376392	0	49	0.0	-68.84	386.10	7.76	-61.08
O=C([O-])C12CC(CNC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)(C1)OC2	REAL300006376392	1	49	0.0	-68.17	386.93	7.70	-60.47
O=C([O-])C12CC(CNC(=O)C3CC[NH+](C4CCSC4)CC3)(C1)OC2	REAL300006376393	0	50	0.0	-75.54	385.78	7.11	-68.43
C[NH+]1CCN(C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C2=CC=CC=C2)CC1	REAL300006376421	1	54	0.0	-67.14	415.33	6.50	-60.64
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376422	0	53	0.0	-67.74	378.65	5.05	-62.69
CC(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)[N@H+](C)CC1=CC=CC=C1	REAL300006376427	0	48	0.0	-66.07	376.83	7.19	-58.88
CC(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)[N@@H+](C)CC1=CC=CC=C1	REAL300006376427	1	48	0.0	-65.21	376.92	7.21	-58.00
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)(C1)OC2	REAL300006376438	0	55	0.0	-71.26	425.86	9.26	-62.00
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)(C1)OC2	REAL300006376438	1	55	0.0	-64.71	419.30	9.46	-55.25
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=N1	REAL300006376466	0	44	0.0	-72.34	355.86	4.84	-67.50
CCC[NH+](CCC)CCCC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376477	0	53	0.0	-68.56	399.93	7.18	-61.38
O=C([O-])C12CC(CNC(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)(C1)OC2	REAL300006376478	1	53	0.0	-63.96	410.01	5.15	-58.81
CC[N@H+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)C1=CC=CC=C1	REAL300006376479	0	48	0.0	-63.16	369.33	7.15	-56.01
CC[N@@H+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)C1=CC=CC=C1	REAL300006376479	1	48	0.0	-63.41	369.44	7.19	-56.22
CC[NH+](CC)C(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)C1=CC=CC=C1	REAL300006376484	0	51	0.0	-61.89	383.58	7.48	-54.41
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376490	1	43	0.0	-61.37	347.67	5.93	-55.44
C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)C1=CC=C(Cl)C=C1	REAL300006376492	1	45	0.0	-66.80	373.30	7.21	-59.59
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)(C1)OC2	REAL300006376506	0	49	0.0	-73.59	384.87	7.84	-65.75
O=C([O-])C12CC(CNC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)(C1)OC2	REAL300006376513	0	52	0.0	-70.16	401.63	8.54	-61.62
CCN1CCC([NH+]2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)CC2)CC1	REAL300006376520	0	60	0.0	-70.09	435.68	6.02	-64.07
CC1C[NH+](CC2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)C=C2)CC(C)O1	REAL300006376527	1	56	0.0	-76.57	434.90	7.57	-69.00
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376538	1	53	0.0	-76.71	409.74	7.69	-69.02
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376538	1	53	0.0	-74.56	416.00	7.76	-66.80
O=C([O-])C12CC(CNC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)(C1)OC2	REAL300006376554	0	52	0.0	-62.18	400.59	8.34	-53.84
O=C([O-])C12CC(CNC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)(C1)OC2	REAL300006376554	1	52	0.0	-63.37	391.31	8.21	-55.16
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=NN1C1=CC=[NH+]C=C1	REAL300006376556	1	43	0.0	-76.11	356.07	5.06	-71.05
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)(C1)OC2	REAL300006376564	0	52	0.0	-73.91	401.62	8.55	-65.36
O=C([O-])C12CC(CNC(=O)C3=NOC(C[NH+]4CCCC4)=C3)(C1)OC2	REAL300006376576	1	45	0.0	-74.92	365.30	5.29	-69.63
C[NH+](C)CCC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=C1	REAL300006376577	0	48	0.0	-76.07	382.55	7.54	-68.53
CNC1=[NH+]C(C)=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376588	1	41	0.0	-59.15	331.21	4.28	-54.87
O=C([O-])C12CC(CNC(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)(C1)OC2	REAL300006376589	1	50	0.0	-73.82	396.14	7.25	-66.57
O=C([O-])C12CC(CNC(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)(C1)OC2	REAL300006376589	1	50	0.0	-73.34	396.39	7.22	-66.12
CC(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006376603	0	58	0.0	-64.45	440.16	9.67	-54.78
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376650	0	48	0.0	-69.69	381.05	7.63	-62.06
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376650	1	48	0.0	-69.72	381.05	7.64	-62.08
COCCOCC[N@H+](C)CCC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376651	0	52	0.0	-68.57	410.08	3.82	-64.75
COCCOCC[N@@H+](C)CCC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376651	1	52	0.0	-69.45	410.09	3.83	-65.62
C[N@@H+]1CCCC(O)(CC(=O)NCC23CC(C(=O)[O-])(C2)CO3)C1	REAL300006376655	0	46	0.0	-66.54	349.36	3.65	-62.89
C[N@H+]1CCCC(O)(CC(=O)NCC23CC(C(=O)[O-])(C2)CO3)C1	REAL300006376655	1	46	0.0	-67.27	339.64	3.47	-63.80
O=C([O-])C12CC(CNC(=O)CCC[NH+]3CCN(C4=CC=CC=C4)CC3)(C1)OC2	REAL300006376665	0	57	0.0	-73.15	436.21	7.35	-65.80
CCCCCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376669	0	50	0.0	-66.92	385.64	6.96	-59.96
CCCCCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376669	1	50	0.0	-66.82	385.64	6.97	-59.85
O=C([O-])C12CC(CNC(=O)C3=CC4=C[NH+]=CN4C=C3)(C1)OC2	REAL300006376681	1	37	0.0	-71.86	312.44	6.74	-65.12
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)CO2)C1CCSC1	REAL300006376699	0	43	0.0	-70.73	341.34	5.48	-65.25
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)CO2)C1CCSC1	REAL300006376699	1	43	0.0	-71.07	341.19	5.47	-65.60
CC(C)[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006376714	0	53	0.0	-67.39	392.15	4.00	-63.39
CC(C)N1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006376714	1	53	0.0	-68.26	393.77	4.18	-64.08
CC(C)[NH+]1CCN(CCCC(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006376715	0	56	0.0	-66.33	418.76	5.18	-61.15
CC(C)N1CC[NH+](CCCC(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006376715	1	56	0.0	-69.04	415.07	4.97	-64.07
O=C([O-])C12CC(CNC(=O)C3CCCC4CCC[N@@H+]43)(C1)OC2	REAL300006376716	0	46	0.0	-62.27	338.58	5.77	-56.50
O=C([O-])C12CC(CNC(=O)C3CCCC4CCC[N@H+]43)(C1)OC2	REAL300006376716	1	46	0.0	-58.87	346.65	6.06	-52.81
C[NH+](C)CCN1C=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=N1	REAL300006376718	0	45	0.0	-76.08	366.22	4.69	-71.39
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC34CC(C(=O)[O-])(C3)CO4)CC2)=C1	REAL300006376725	0	57	0.0	-72.82	436.05	7.26	-65.56
O=C([O-])C12CC(CNC(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)(C1)OC2	REAL300006376727	0	54	0.0	-72.65	414.71	6.54	-66.11
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)(C1)OC2	REAL300006376730	0	51	0.0	-71.70	398.10	6.65	-65.05
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)(C1)OC2	REAL300006376730	1	51	0.0	-71.27	398.20	6.54	-64.73
CC(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006376735	1	49	0.0	-65.72	376.89	7.78	-57.94
CC(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)[N@H+]1CCC2=CC=CC=C2C1	REAL300006376735	1	49	0.0	-65.20	380.27	7.57	-57.63
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376763	0	52	0.0	-71.57	404.81	8.36	-63.21
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376763	1	52	0.0	-72.19	407.49	8.41	-63.78
C[NH+](C)CCN1C=CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=N1	REAL300006376778	0	45	0.0	-76.98	366.60	4.71	-72.27
C[NH+](C)CCN1N=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376779	0	45	0.0	-64.83	361.90	4.67	-60.16
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376785	1	46	0.0	-61.55	367.87	6.41	-55.14
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)(C1)OC2	REAL300006376801	0	52	0.0	-71.66	409.46	8.46	-63.20
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)(C1)OC2	REAL300006376801	1	52	0.0	-71.35	409.74	8.46	-62.89
CC(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376806	0	46	0.0	-68.43	353.22	3.94	-64.49
O=C([O-])C12CC(CNC(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)(C1)OC2	REAL300006376807	0	53	0.0	-72.46	411.94	5.92	-66.54
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006376861	1	52	0.0	-76.65	399.47	6.64	-70.01
O=C([O-])C12CC(CNC(=O)C3CC[N@@H+](C4CCCCC4)C3)(C1)OC2	REAL300006376862	0	52	0.0	-66.94	388.85	7.13	-59.81
O=C([O-])C12CC(CNC(=O)C3CC[N@H+](C4CCCCC4)C3)(C1)OC2	REAL300006376862	1	52	0.0	-65.47	387.41	7.13	-58.34
O=C([O-])C12CC(CNC(=O)C34CCC[NH+](CCC3)C4)(C1)OC2	REAL300006376881	0	46	0.0	-68.25	339.30	5.41	-62.84
O=C([O-])C12CC(CNC(=O)C3CCC4CCCC[N@@H+]43)(C1)OC2	REAL300006376885	0	46	0.0	-59.93	349.84	6.14	-53.79
O=C([O-])C12CC(CNC(=O)C3CCC4CCCC[N@H+]43)(C1)OC2	REAL300006376885	1	46	0.0	-60.05	349.42	6.09	-53.96
CC(C)(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006376893	0	49	0.0	-65.04	362.69	4.28	-60.76
CC(C)[N@@H+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C(C2=CN(C)N=C2)C1	REAL300006376898	0	58	0.0	-69.75	432.05	6.95	-62.80
CC(C)[N@H+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C(C2=CN(C)N=C2)C1	REAL300006376898	1	58	0.0	-70.39	431.94	6.94	-63.45
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=N1	REAL300006376899	0	52	0.0	-76.78	398.56	5.59	-71.19
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=N1	REAL300006376899	1	52	0.0	-77.25	398.51	5.59	-71.66
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)=C2)CC1	REAL300006376904	0	54	0.0	-72.52	418.77	6.14	-66.38
C[NH+]1CCN(CC2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)C=C2)CC1	REAL300006376905	0	54	0.0	-72.40	418.67	6.12	-66.28
CN1CC[NH+](CC2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)C=C2)CC1	REAL300006376905	1	54	0.0	-74.80	418.15	5.99	-68.81
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=C1	REAL300006376906	0	55	0.0	-71.92	425.06	7.81	-64.11
CC(C)[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006376913	0	48	0.0	-67.27	357.18	5.82	-61.45
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCC(CO)CC4)C=C3)(C1)OC2	REAL300006377030	0	56	0.0	-77.46	433.32	5.85	-71.61
C[NH+](C)CC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=C1	REAL300006377034	0	45	0.0	-71.70	360.16	6.71	-64.99
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)(C1)OC2	REAL300006377035	0	52	0.0	-67.50	403.06	8.39	-59.11
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)(C1)OC2	REAL300006377035	1	52	0.0	-67.31	402.78	8.42	-58.89
C#CC[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006377102	0	44	0.0	-71.30	351.68	6.06	-65.24
CCC[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006377104	0	48	0.0	-62.65	353.74	6.04	-56.61
CCC[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006377104	1	48	0.0	-62.42	353.47	6.09	-56.33
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006377106	0	45	0.0	-59.13	352.49	6.96	-52.17
CC[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006377108	0	50	0.0	-68.66	379.36	3.71	-64.95
CCN1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006377108	1	50	0.0	-68.35	380.02	3.82	-64.53
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)[NH+]1CCCCC1	REAL300006377110	0	51	0.0	-61.51	373.20	7.25	-54.26
C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)C1=CC=CC=C1	REAL300006377111	1	45	0.0	-63.12	356.57	6.69	-56.43
O=C([O-])C12CC(CNC(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)(C1)OC2	REAL300006377115	0	50	0.0	-66.81	394.78	4.61	-62.20
O=C([O-])C12CC(CNC(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)(C1)OC2	REAL300006377115	1	50	0.0	-66.47	395.91	4.66	-61.81
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006377121	1	46	0.0	-61.31	367.32	6.36	-54.95
C[NH+](C)CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)OC2=CC=CC=C21	REAL300006377122	0	48	0.0	-64.92	387.25	7.06	-57.86
O=C([O-])C12CC(CNC(=O)C3CCC[N@@H+]3C3CCCC3)(C1)OC2	REAL300006377127	0	49	0.0	-61.86	364.43	6.76	-55.10
O=C([O-])C12CC(CNC(=O)C3CCC[N@H+]3C3CCCC3)(C1)OC2	REAL300006377127	1	49	0.0	-62.54	368.05	6.60	-55.94
CC(C(=O)NCC12CC(C(=O)[O-])(C1)CO2)[NH+]1CCCCCC1	REAL300006377156	0	48	0.0	-61.81	351.02	5.69	-56.12
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)=CC=C1N2	REAL300006377191	1	50	0.0	-76.04	394.50	7.18	-68.86
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)=CC=C1N2	REAL300006377191	1	50	0.0	-76.18	395.30	7.11	-69.07
CC[NH+](CC)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)O1	REAL300006377249	0	48	0.0	-70.29	377.76	6.10	-64.19
O=C(CCCC[NH+]1CCCC1)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006377250	0	48	0.0	-68.40	373.24	6.52	-61.88
CC1=CC=C(N2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)CC2)[NH+]=C1	REAL300006377252	1	51	0.0	-65.29	395.95	6.28	-59.01
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)CO2)CC1=CC=CC=C1	REAL300006377253	1	45	0.0	-69.53	358.56	6.79	-62.74
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)CO2)CC1=CC=CC=C1	REAL300006377253	1	45	0.0	-69.46	358.62	6.79	-62.67
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)C=C2)CC1	REAL300006377257	0	57	0.0	-72.87	428.08	7.05	-65.82
O=C([O-])C12CC(CNC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)(C1)OC2	REAL300006377272	1	40	0.0	-75.24	341.21	4.64	-70.60
C[NH+](C)CC1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=NO1	REAL300006377301	1	41	0.0	-76.47	341.03	4.23	-72.24
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006377306	0	52	0.0	-72.90	406.23	8.29	-64.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006377306	1	52	0.0	-69.57	403.68	8.26	-61.31
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=C1	REAL300006377330	0	53	0.0	-74.07	424.33	7.73	-66.34
C[NH+]1CCC(OCC(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006377347	0	46	0.0	-73.39	361.80	5.34	-68.05
O=C([O-])C12CC(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)(C1)OC2	REAL300006377353	0	49	0.0	-70.74	387.00	6.79	-63.95
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)CO3)[C@@H](C(F)(F)F)C1	REAL300006377394	0	51	0.0	-68.58	395.93	6.40	-62.18
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)CO3)[C@@H](C(F)(F)F)C1	REAL300006377394	1	51	0.0	-65.42	394.77	6.49	-58.93
CCC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C1	REAL300006377539	0	48	0.0	-61.40	359.50	6.45	-54.95
CCC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C1	REAL300006377539	1	48	0.0	-66.35	365.97	6.22	-60.13
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006377572	0	48	0.0	-62.29	366.58	6.42	-55.87
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006377572	1	48	0.0	-63.47	356.08	6.49	-56.98
O=C([O-])C12CC(CNC(=O)C[NH+]3CCC(CO)CC3)(C1)OC2	REAL300006377575	1	46	0.0	-67.01	355.71	2.38	-64.63
O=C([O-])C12CC(CNC(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)(C1)OC2	REAL300006377670	0	53	0.0	-71.29	411.06	8.66	-62.63
O=C([O-])C12CC(CNC(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)(C1)OC2	REAL300006377670	1	53	0.0	-70.06	412.03	8.64	-61.42
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C1	REAL300006377797	0	48	0.0	-64.48	361.03	6.01	-58.47
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C1	REAL300006377797	1	48	0.0	-64.44	360.81	6.00	-58.44
C[N@@H+]1CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C(C(F)(F)F)C1	REAL300006377798	0	42	0.0	-73.94	345.94	4.98	-68.96
C[N@H+]1CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C(C(F)(F)F)C1	REAL300006377798	1	42	0.0	-74.08	333.34	5.74	-68.34
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(C(=O)[O-])(C2)CO3)N1	REAL300006377823	1	43	0.0	-62.12	352.15	4.49	-57.63
C[NH+](C)CCC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=C1	REAL300006378305	0	48	0.0	-73.17	382.64	7.55	-65.62
C[NH+](C)CCOC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=C1	REAL300006378312	0	49	0.0	-73.40	389.85	6.47	-66.93
O=C([O-])C12CC(CNC(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)(C1)OC2	REAL300006378402	0	55	0.0	-70.06	421.62	9.14	-60.92
CC1C[N@H+](CC2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)C=C2)CCO1	REAL300006378404	1	53	0.0	-76.17	407.42	6.86	-69.31
CC1C[N@@H+](CC2=CC=C(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)C=C2)CCO1	REAL300006378404	1	53	0.0	-76.32	407.48	6.86	-69.46
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)CO3)CC1	REAL300006378447	0	48	0.0	-64.28	353.85	5.94	-58.34
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C1	REAL300006378513	0	51	0.0	-65.51	382.85	6.95	-58.56
CC(C)C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C1	REAL300006378513	1	51	0.0	-65.51	382.85	6.95	-58.56
CN(C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)O1	REAL300006378519	0	42	0.0	-71.99	345.41	4.92	-67.07
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)O1	REAL300006378519	1	42	0.0	-71.99	345.41	4.92	-67.07
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C1	REAL300006378525	0	51	0.0	-70.95	364.26	5.90	-65.05
C[N@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C1	REAL300006378525	1	51	0.0	-70.95	364.26	5.90	-65.05
O=C([O-])C12CC(CNC(=O)C34CC(C3)C[N@@H+]4C3CC3)(C1)OC2	REAL300006378528	0	44	0.0	-62.65	334.13	6.48	-56.17
CC1=CC(F)=CC=C1CC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006378599	0	50	0.0	-45.83	374.47	9.55	-36.28
CC1=CC(F)=CC=C1CC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006378599	1	50	0.0	-45.83	374.47	9.55	-36.28
CN1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(CC2=CC=CC=C2)C1=O	REAL300006378707	0	54	0.0	-58.63	409.41	10.15	-48.48
O=C([O-])C1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCC(C(F)F)CC1	REAL300006379625	0	56	0.0	-80.42	419.16	12.30	-68.12
O=C([O-])C1(NC(=O)C2CC[NH+](C3CC3)CC2)CCC(C(F)F)CC1	REAL300006380790	0	50	0.0	-71.59	371.41	10.16	-61.43
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CCC(C(F)F)CC3)CN12	REAL300006380814	1	48	0.0	-62.35	359.13	9.12	-53.23
CC(C(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)N1CC[NH+](C)CC1	REAL300006380880	1	51	0.0	-72.90	371.68	6.91	-65.99
C[N@@H+]1CCCC[C@H]1C(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300006380912	0	46	0.0	-59.88	339.83	8.66	-51.22
C[N@H+]1CCCC[C@H]1C(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300006380912	1	46	0.0	-55.52	326.08	8.17	-47.35
C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300006380979	0	46	0.0	-71.69	342.15	8.75	-62.94
O=C([O-])C1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCC(C(F)F)CC1	REAL300006381006	0	41	0.0	-73.03	328.51	10.65	-62.38
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CCCCC1	REAL300006381036	0	55	0.0	-55.50	372.73	10.00	-45.50
C[N@H+](CCC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1CCCCC1	REAL300006381040	0	55	0.0	-70.34	396.77	10.72	-59.62
C[N@@H+](CCC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1CCCCC1	REAL300006381040	1	55	0.0	-66.00	395.98	10.68	-55.32
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C=CCCC1(C(=O)[O-])CCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006390035	0	63	0.0	-73.18	438.10	12.80	-60.38
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300006390066	0	50	0.0	-77.02	358.24	9.32	-67.70
C=CCCC1(C(=O)[O-])CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1	REAL300006390126	0	59	0.0	-71.92	412.01	11.41	-60.51
C=CCCC1(C(=O)[O-])CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1	REAL300006390126	1	59	0.0	-72.64	412.01	11.41	-61.23
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006390141	1	57	0.0	-65.94	416.35	11.93	-54.01
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006390141	1	57	0.0	-75.43	419.21	12.16	-63.27
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300006390198	0	53	0.0	-79.08	401.46	10.04	-69.04
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300006390221	0	60	0.0	-66.72	404.63	11.30	-55.42
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300006390221	1	60	0.0	-61.68	409.32	11.50	-50.18
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300006390222	0	61	0.0	-72.45	415.35	9.67	-62.78
C=CCCC1(C(=O)[O-])CCN(C(=O)CCCN2C=C[NH+]=C2C)CC1	REAL300006390255	1	51	0.0	-69.63	384.56	10.72	-58.91
C=CCCC1(C(=O)[O-])CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300006390256	1	57	0.0	-77.60	414.06	9.43	-68.17
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@@H+](CC)C(C)C)C=C2)CC1	REAL300006390259	0	62	0.0	-78.68	439.83	12.51	-66.17
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@H+](CC)C(C)C)C=C2)CC1	REAL300006390259	1	62	0.0	-74.65	428.47	12.07	-62.58
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006390308	0	57	0.0	-72.88	413.16	12.01	-60.87
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006390308	1	57	0.0	-74.69	415.04	12.09	-62.60
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300006390309	0	58	0.0	-81.40	416.74	11.56	-69.84
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)CC1	REAL300006390335	1	62	0.0	-68.74	446.16	10.74	-58.00
C=CCCC1(C(=O)[O-])CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300006390336	0	61	0.0	-71.50	410.37	9.69	-61.81
C=CCCC1(C(=O)[O-])CCN(C(=O)C(CC)[NH+](CC)CC)CC1	REAL300006390340	0	55	0.0	-61.85	376.27	9.94	-51.91
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)CC1	REAL300006390342	0	56	0.0	-67.74	407.04	11.75	-55.99
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300006390342	1	56	0.0	-66.59	406.07	11.69	-54.90
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300006390354	0	63	0.0	-79.59	458.60	13.76	-65.83
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300006390354	1	63	0.0	-74.95	457.35	13.72	-61.23
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)CC1	REAL300006390376	0	52	0.0	-77.71	386.18	9.34	-68.37
C=CCCC1(C(=O)[O-])CCN(C(=O)CCC[NH+](CCC)CCC)CC1	REAL300006390385	0	61	0.0	-72.06	436.15	12.02	-60.04
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[N@@H+](C)CC)CC1	REAL300006390386	0	56	0.0	-66.08	402.30	11.67	-54.41
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[N@H+](C)CC)CC1	REAL300006390386	1	56	0.0	-68.30	397.30	11.66	-56.64
C=CCCC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](C)CCO2)CC1	REAL300006390388	1	48	0.0	-79.00	341.74	7.85	-71.15
C=CCCC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](C)CCO2)CC1	REAL300006390388	1	48	0.0	-77.13	339.53	7.83	-69.30
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+](CC)CC)CC1	REAL300006390391	0	59	0.0	-68.15	408.71	12.00	-56.15
C=CCCC1(C(=O)[O-])CCN(C(=O)CN2C=C[NH+]=C2C(C)C)CC1	REAL300006390400	1	51	0.0	-64.66	379.36	10.51	-54.15
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)CC1	REAL300006390405	1	53	0.0	-64.54	398.41	11.49	-53.05
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300006390418	0	57	0.0	-80.27	415.24	12.06	-68.21
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300006390426	0	60	0.0	-73.50	432.00	12.77	-60.73
C=CCCC1(C(=O)[O-])CCN(C(=O)C(CC)[N@@H+]2CCOC(CC)C2)CC1	REAL300006390428	1	60	0.0	-65.47	418.21	9.78	-55.69
C=CCCC1(C(=O)[O-])CCN(C(=O)C(CC)[N@H+]2CCOC(CC)C2)CC1	REAL300006390428	1	60	0.0	-65.06	411.51	9.68	-55.38
C=CCCC1(C(=O)[O-])CCN(C(=O)C2(C[NH+](C)C)CC2)CC1	REAL300006390431	0	50	0.0	-74.22	362.72	9.37	-64.85
C=CCCC1(C(=O)[O-])CCN(C(=O)CCCC[NH+](C)C)CC1	REAL300006390440	0	52	0.0	-74.00	378.95	9.94	-64.06
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C(C)C)[NH+](C)C)CC1	REAL300006390449	0	52	0.0	-71.07	353.94	9.28	-61.79
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300006390462	0	60	0.0	-63.93	432.04	12.93	-51.00
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300006390462	1	60	0.0	-62.50	430.83	12.91	-49.59
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300006390464	1	51	0.0	-79.10	388.34	9.31	-69.79
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300006390472	0	60	0.0	-81.05	432.32	12.70	-68.35
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300006390486	1	53	0.0	-78.58	395.22	10.26	-68.32
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)CC1	REAL300006390487	0	56	0.0	-82.63	412.92	11.75	-70.88
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C)[NH+]=C2NC)CC1	REAL300006390498	1	49	0.0	-63.08	366.61	8.40	-54.68
C=CCCC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300006390500	1	58	0.0	-82.96	423.89	11.57	-71.39
C=CCCC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300006390500	1	58	0.0	-66.81	418.03	11.45	-55.36
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)C2CCC2)CC1	REAL300006390531	0	50	0.0	-67.94	360.41	9.73	-58.21
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)C2CCC2)CC1	REAL300006390531	1	50	0.0	-66.25	359.84	9.75	-56.50
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C)[NH+]2CCSCC2)CC1	REAL300006390554	1	51	0.0	-67.62	371.02	9.73	-57.89
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1	REAL300006390559	0	55	0.0	-68.62	381.44	10.16	-58.46
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1	REAL300006390559	1	55	0.0	-67.97	383.37	10.32	-57.65
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)CC1	REAL300006390561	0	56	0.0	-72.58	412.74	12.21	-60.37
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)CC1	REAL300006390561	1	56	0.0	-74.08	413.46	12.19	-61.89
C=CCCC1(C(=O)[O-])CCN(C(=O)CC[N@@H+](C)CCOCCOC)CC1	REAL300006390562	0	60	0.0	-71.91	441.76	8.43	-63.48
C=CCCC1(C(=O)[O-])CCN(C(=O)CC[N@H+](C)CCOCCOC)CC1	REAL300006390562	1	60	0.0	-74.33	443.98	8.47	-65.86
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300006390585	1	59	0.0	-68.95	414.64	10.69	-58.26
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300006390585	1	59	0.0	-70.33	415.60	10.71	-59.62
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300006390586	1	59	0.0	-66.82	426.42	11.09	-55.73
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300006390586	1	59	0.0	-74.21	418.24	10.70	-63.51
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)CCCCCC)CC1	REAL300006390588	0	58	0.0	-70.15	417.33	11.53	-58.62
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)CCCCCC)CC1	REAL300006390588	1	58	0.0	-69.93	417.33	11.51	-58.42
C=CCCC1(C(=O)[O-])CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300006390598	0	51	0.0	-65.16	351.39	9.10	-56.06
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300006390606	1	45	0.0	-74.16	347.89	11.14	-63.02
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)C2CCSC2)CC1	REAL300006390621	0	51	0.0	-75.02	373.09	9.99	-65.03
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)C2CCSC2)CC1	REAL300006390621	1	51	0.0	-74.32	373.61	10.01	-64.31
C=CCCC1(C(=O)[O-])CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1	REAL300006390636	0	61	0.0	-72.92	429.67	8.97	-63.95
C=CCCC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)CC1	REAL300006390636	1	61	0.0	-72.06	425.44	8.79	-63.27
C=CCCC1(C(=O)[O-])CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CC1	REAL300006390637	0	64	0.0	-69.54	450.45	9.78	-59.76
C=CCCC1(C(=O)[O-])CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1	REAL300006390637	1	64	0.0	-72.99	447.26	9.62	-63.37
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300006390638	0	54	0.0	-71.48	365.24	10.19	-61.29
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300006390638	1	54	0.0	-66.09	367.48	9.85	-56.24
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)CC1	REAL300006390640	0	53	0.0	-79.92	395.08	8.92	-71.00
C=CCCC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300006390648	0	62	0.0	-76.48	446.39	11.16	-65.32
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300006390649	0	59	0.0	-74.45	420.83	11.18	-63.27
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300006390649	1	59	0.0	-66.36	419.76	10.86	-55.50
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)CC1	REAL300006390654	0	57	0.0	-67.20	408.18	12.05	-55.15
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)CC1	REAL300006390654	1	57	0.0	-70.05	408.97	12.08	-57.97
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C(CC)CC)[NH+]2CCOCC2)CC1	REAL300006390671	1	63	0.0	-67.40	417.33	9.60	-57.80
C=CCCC1(C(=O)[O-])CCN(C(=O)C(CCC)[NH+](C)C)CC1	REAL300006390675	0	52	0.0	-70.11	364.60	9.55	-60.56
C=CCCC1(C(=O)[O-])CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006390676	0	60	0.0	-77.97	439.38	13.05	-64.92
C=CCCC1(C(=O)[O-])CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006390676	1	60	0.0	-76.96	437.57	12.97	-63.99
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)CC1	REAL300006390691	0	53	0.0	-84.51	395.39	9.59	-74.92
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=NN2CC[NH+](C)C)CC1	REAL300006390692	0	53	0.0	-67.04	389.67	8.95	-58.09
C=CCCC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	REAL300006390698	0	50	0.0	-70.50	347.84	8.99	-61.51
C=CCCC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	REAL300006390698	1	50	0.0	-72.01	355.61	8.98	-63.03
C=CCCC1(C(=O)[O-])CCN(C(=O)CC(C)N2C=C[NH+]=C2CC)CC1	REAL300006390700	1	54	0.0	-66.70	401.74	11.06	-55.64
C=CCCC1(C(=O)[O-])CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	REAL300006390703	0	53	0.0	-75.26	368.50	9.35	-65.91
C=CCCC1(C(=O)[O-])CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1	REAL300006390703	1	53	0.0	-72.12	371.19	9.59	-62.53
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)CC1	REAL300006390706	1	54	0.0	-78.89	390.64	8.56	-70.33
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)CC1	REAL300006390706	1	54	0.0	-78.84	389.89	8.57	-70.27
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CCC=C)(C(=O)[O-])CC1	REAL300006390707	0	49	0.0	-63.29	358.76	9.51	-53.78
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCC=C)(C(=O)[O-])CC1	REAL300006390707	1	49	0.0	-64.65	362.30	9.87	-54.78
C=CCCC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](C)CC(C)O2)CC1	REAL300006390715	1	51	0.0	-84.03	361.45	8.31	-75.72
C=CCCC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](C)CC(C)O2)CC1	REAL300006390715	1	51	0.0	-81.52	361.82	8.34	-73.18
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300006390721	1	56	0.0	-62.17	412.77	10.82	-51.35
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300006390721	1	56	0.0	-65.53	407.39	10.04	-55.49
C=CCCC1(C(=O)[O-])CCN(C(=O)CN2C=C[NH+]=C2C)CC1	REAL300006390725	1	45	0.0	-66.75	345.20	9.39	-57.36
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C)C[NH+]2CCOCC2)CC1	REAL300006390727	0	54	0.0	-71.23	384.65	8.41	-62.82
C=CCCC1(C(=O)[O-])CCN(C(=O)C[NH+]2CCC(C)CC2)CC1	REAL300006390742	0	53	0.0	-68.89	376.18	10.24	-58.65
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C=CCCC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC)CCO2)CC1	REAL300006390755	1	51	0.0	-76.78	358.08	8.46	-68.32
C=CCCC1(C(=O)[O-])CCN(C(=O)CCC2CCC[N@H+]2C)CC1	REAL300006390800	0	53	0.0	-71.22	380.98	10.30	-60.92
C=CCCC1(C(=O)[O-])CCN(C(=O)CCC2CCC[N@@H+]2C)CC1	REAL300006390800	1	53	0.0	-70.21	375.56	9.83	-60.38
C=CCCC1(C(=O)[O-])CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300006390813	0	54	0.0	-75.01	363.73	9.45	-65.56
C=CCCC1(C(=O)[O-])CCN(C(=O)C2(C)CC(O)C[N@H+]2C)CC1	REAL300006390815	0	51	0.0	-74.13	356.44	5.59	-68.54
C=CCCC1(C(=O)[O-])CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1	REAL300006390815	1	51	0.0	-67.27	352.89	4.99	-62.28
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300006390816	0	54	0.0	-66.82	374.33	10.25	-56.57
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300006390816	1	54	0.0	-62.64	377.94	10.51	-52.13
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1	REAL300006390823	0	57	0.0	-71.34	385.34	8.34	-63.00
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)CC1	REAL300006390828	0	60	0.0	-87.10	436.91	10.41	-76.69
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)CC1	REAL300006390828	1	60	0.0	-82.51	425.43	10.23	-72.28
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)CC1	REAL300006390832	0	62	0.0	-79.04	449.69	10.32	-68.72
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)CC1	REAL300006390833	0	62	0.0	-78.21	449.04	10.34	-67.87
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)CC1	REAL300006390833	1	62	0.0	-81.96	449.15	10.20	-71.76
C=CCCC1(C(=O)[O-])CCN(C(=O)C[NH+]2C(C)CCC2C)CC1	REAL300006390974	0	53	0.0	-64.61	370.69	9.77	-54.84
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)CC1	REAL300006390975	0	53	0.0	-74.93	390.44	10.90	-64.03
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006390976	0	60	0.0	-75.61	436.08	12.89	-62.72
C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006390976	1	60	0.0	-72.45	433.35	12.74	-59.71
C#CC[NH+]1CCC(C(=O)N2CCC(CCC=C)(C(=O)[O-])CC2)CC1	REAL300006391046	0	52	0.0	-75.66	383.13	10.53	-65.13
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C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CCC)CC1	REAL300006391048	1	56	0.0	-66.03	392.60	10.67	-55.36
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2C[NH+](C)C)CC1	REAL300006391049	0	53	0.0	-67.57	387.79	10.95	-56.62
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C(C)C)[NH+]2CCCCC2)CC1	REAL300006391052	0	59	0.0	-67.35	396.00	11.13	-56.22
C=CCCC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)CC1	REAL300006391053	1	53	0.0	-68.03	384.78	11.00	-57.03
C=CCCC1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006391057	0	58	0.0	-74.29	425.87	9.11	-65.18
C=CCCC1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006391057	1	58	0.0	-67.91	426.06	9.16	-58.75
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C=CCCC1(C(=O)[O-])CCN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)CC1	REAL300006391064	0	56	0.0	-65.93	416.24	11.63	-54.30
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C=CCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300006391069	1	57	0.0	-67.63	399.47	11.14	-56.49
C=CCCC1(C(=O)[O-])CCN(C(=O)C[N@@H+](CC)C2CC2)CC1	REAL300006391071	0	50	0.0	-66.45	358.59	9.66	-56.79
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CS(=O)(=O)N1C2CCC1CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300006392718	1	52	0.0	-55.36	396.13	4.30	-51.06
CC(C)(C)C1=NOC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006392834	1	48	0.0	-52.54	363.36	7.78	-44.76
CC(C)(C)C1=CC=C(C(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300006394583	0	56	0.0	-70.38	422.61	11.36	-59.02
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)CN21	REAL300006394606	1	54	0.0	-62.34	416.41	11.02	-51.32
CC(C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)N1CC[NH+](C)CC1	REAL300006394665	1	57	0.0	-70.08	421.78	8.20	-61.88
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006394693	0	52	0.0	-58.43	390.74	9.90	-48.53
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006394693	1	52	0.0	-61.56	381.45	9.71	-51.85
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006394748	0	52	0.0	-74.44	393.34	9.94	-64.50
CC(C)(C)C1=CC=C(C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C=C1	REAL300006394775	0	47	0.0	-70.08	378.33	11.85	-58.23
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CCCCC1	REAL300006394800	0	61	0.0	-71.49	433.09	11.96	-59.53
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCCCC1	REAL300006394804	0	61	0.0	-66.07	447.18	11.88	-54.19
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCCCC1	REAL300006394804	1	61	0.0	-66.06	447.22	11.89	-54.17
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006394817	0	49	0.0	-55.81	368.81	8.85	-46.96
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006394817	1	49	0.0	-57.02	375.06	9.35	-47.67
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CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006394905	1	53	0.0	-67.40	419.73	11.19	-56.21
CC(C)(C)C1=CC=C(C(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300006394906	1	59	0.0	-74.89	447.07	9.89	-65.00
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C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006394911	0	49	0.0	-54.72	368.01	8.90	-45.82
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006394911	1	49	0.0	-56.26	375.25	9.28	-46.98
C[C@H](C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+](C)C	REAL300006394914	0	48	0.0	-57.14	366.79	8.69	-48.45
CC(C)(C)C1=CC=C(C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300006394945	0	59	0.0	-66.23	452.12	12.75	-53.48
CC(C)(C)C1=CC=C(C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300006394945	1	59	0.0	-67.04	452.35	12.69	-54.35
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+](CC)CC	REAL300006394970	0	57	0.0	-52.35	414.94	10.59	-41.76
CC(C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300006394972	0	58	0.0	-60.03	443.52	12.36	-47.67
CC(C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006394972	1	58	0.0	-60.05	443.35	12.35	-47.70
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300006394990	0	54	0.0	-79.74	422.77	10.29	-69.45
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006394993	0	63	0.0	-69.54	466.90	12.20	-57.34
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006394995	1	50	0.0	-76.77	385.95	8.82	-67.95
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006394995	1	50	0.0	-76.84	385.91	8.82	-68.02
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395003	1	53	0.0	-56.27	414.21	11.10	-45.17
CC(C)(C)C1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])C=C1	REAL300006395015	0	59	0.0	-83.28	451.53	13.00	-70.28
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006395021	0	52	0.0	-69.03	399.51	9.99	-59.04
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395026	0	54	0.0	-73.27	413.93	10.50	-62.77
CC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300006395043	1	53	0.0	-80.06	423.94	10.22	-69.84
CC(C)(C)C1=CC=C(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1	REAL300006395052	1	55	0.0	-79.22	432.22	10.37	-68.85
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300006395053	0	58	0.0	-87.84	449.44	12.63	-75.21
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395058	1	51	0.0	-58.37	398.11	9.36	-49.01
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395063	0	51	0.0	-58.57	387.99	9.71	-48.86
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395063	1	51	0.0	-58.64	387.99	9.69	-48.95
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCC1	REAL300006395077	0	52	0.0	-55.92	394.62	10.34	-45.58
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCC1	REAL300006395077	1	52	0.0	-55.43	394.80	10.36	-45.07
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)CC(C)(C)C	REAL300006395098	0	57	0.0	-57.41	418.19	10.84	-46.57
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)CC(C)(C)C	REAL300006395098	1	57	0.0	-57.17	417.94	10.88	-46.29
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395100	0	58	0.0	-61.13	447.90	12.72	-48.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395100	1	58	0.0	-60.57	447.66	12.80	-47.77
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395101	0	62	0.0	-66.24	476.94	8.91	-57.33
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395101	1	62	0.0	-66.58	476.95	8.91	-57.67
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+](C)C	REAL300006395104	0	51	0.0	-56.87	382.82	9.95	-46.92
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006395106	0	56	0.0	-67.60	416.21	8.70	-58.90
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006395106	1	56	0.0	-62.99	418.88	8.71	-54.28
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395118	0	60	0.0	-58.77	452.29	12.11	-46.66
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395118	1	60	0.0	-59.60	452.49	12.03	-47.57
CC(C)(C)C1=CC=C(C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])C=C1	REAL300006395133	1	47	0.0	-77.26	378.60	11.85	-65.41
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCSC1	REAL300006395141	0	53	0.0	-62.13	409.53	10.51	-51.62
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCSC1	REAL300006395141	1	53	0.0	-61.03	407.90	10.59	-50.44
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006395156	0	63	0.0	-71.48	463.87	9.53	-61.95
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006395156	1	63	0.0	-64.69	460.48	9.25	-55.44
CC(C)(C)C1=CC=C(C(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])C=C1	REAL300006395157	0	56	0.0	-51.57	412.51	11.15	-40.42
CC(C)(C)C1=CC=C(C(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])C=C1	REAL300006395157	1	56	0.0	-53.78	413.32	11.13	-42.65
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300006395159	0	55	0.0	-80.64	433.12	9.79	-70.85
CC(C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006395168	1	59	0.0	-57.94	443.59	12.92	-45.02
CC(C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006395168	1	59	0.0	-58.21	447.04	12.73	-45.48
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300006395193	0	55	0.0	-88.39	433.25	9.87	-78.52
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395194	0	55	0.0	-58.49	429.45	9.73	-48.76
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC[N@@H+]1C	REAL300006395196	0	52	0.0	-69.57	386.36	9.50	-60.07
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC[N@H+]1C	REAL300006395196	1	52	0.0	-67.14	389.96	9.47	-57.67
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395197	1	56	0.0	-60.30	434.11	11.54	-48.76
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC[N@@H+]1C	REAL300006395200	0	55	0.0	-70.58	405.45	9.97	-60.61
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC[N@H+]1C	REAL300006395200	1	55	0.0	-62.55	409.83	10.49	-52.06
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300006395207	1	53	0.0	-76.45	399.96	9.49	-66.96
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300006395207	1	53	0.0	-78.56	400.08	9.03	-69.53
CC(C)(C)C1=CC=C(C(NC(=O)C[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300006395213	0	49	0.0	-57.38	372.76	9.30	-48.08
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395215	1	47	0.0	-58.03	378.00	9.98	-48.05
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395217	0	56	0.0	-65.94	419.88	9.09	-56.85
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006395236	0	55	0.0	-57.95	411.53	10.86	-47.09
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006395247	1	53	0.0	-69.39	403.72	9.45	-59.94
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006395247	1	53	0.0	-52.23	396.11	9.28	-42.95
CC(C)(C)C1=CC=C(C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300006395276	0	62	0.0	-65.70	455.37	12.20	-53.50
CC(C)(C)C1=CC=C(C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300006395276	1	62	0.0	-65.91	453.49	12.21	-53.70
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395282	0	55	0.0	-67.56	415.93	10.85	-56.71
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395282	1	55	0.0	-67.17	410.73	10.31	-56.86
CC(C)(C)C1=CC=C(C(NC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])C=C1	REAL300006395293	0	56	0.0	-55.12	416.06	11.25	-43.87
CC(C)(C)C1=CC=C(C(NC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])C=C1	REAL300006395293	1	56	0.0	-55.16	409.47	10.77	-44.39
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395312	0	51	0.0	-57.26	380.16	9.44	-47.82
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006395314	0	58	0.0	-70.07	423.79	10.97	-59.10
CC(C)(C)C1=CC=C(C(NC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])C=C1	REAL300006395379	0	50	0.0	-70.21	380.41	8.80	-61.41
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+](C)C	REAL300006395382	0	51	0.0	-54.62	379.32	9.27	-45.35
CC(C)(C)C1=CC=C(C(NC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])C=C1	REAL300006395389	0	53	0.0	-69.06	390.33	9.50	-59.56
CC(C)(C)C1=CC=C(C(NC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])C=C1	REAL300006395389	1	53	0.0	-75.25	390.87	9.49	-65.76
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395424	0	55	0.0	-55.75	405.94	10.30	-45.45
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300006395425	0	55	0.0	-76.16	426.96	11.79	-64.37
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006395468	0	54	0.0	-75.06	418.32	11.22	-63.84
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006395470	0	60	0.0	-72.29	446.26	8.78	-63.51
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006395470	1	60	0.0	-64.24	447.13	9.01	-55.23
CC(C)[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395471	0	51	0.0	-55.29	382.94	9.55	-45.74
CC(C)[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395471	1	51	0.0	-55.67	382.58	9.54	-46.13
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395475	1	56	0.0	-60.17	433.98	11.51	-48.66
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CC1	REAL300006395481	0	52	0.0	-55.14	397.76	10.40	-44.74
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CC1	REAL300006395481	1	52	0.0	-54.64	393.46	10.12	-44.52
CC(C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+]1CCCCCC1	REAL300006395503	0	58	0.0	-54.87	418.80	10.71	-44.16
C[N@@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395506	0	49	0.0	-57.29	374.25	9.30	-47.99
C[N@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395506	1	49	0.0	-55.81	368.84	8.83	-46.98
CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395565	0	51	0.0	-56.19	387.52	8.08	-48.11
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300006395567	0	58	0.0	-76.29	448.77	11.54	-64.75
CC(C)(C)C1=CC=C(C(NC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300006395568	0	58	0.0	-71.39	439.89	11.67	-59.72
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)CC1=CC=CC=C1	REAL300006395570	1	55	0.0	-60.99	425.23	11.95	-49.04
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)CC1=CC=CC=C1	REAL300006395570	1	55	0.0	-61.62	425.42	11.89	-49.73
CC(C)(C)C1=CC=C(C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C=C1	REAL300006395594	1	50	0.0	-78.86	408.11	9.74	-69.12
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=NO1	REAL300006395613	1	51	0.0	-80.80	406.68	9.33	-71.47
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395625	0	55	0.0	-56.63	407.12	10.43	-46.20
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300006395625	1	55	0.0	-56.83	407.74	10.40	-46.43
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006395640	0	56	0.0	-78.34	428.47	10.45	-67.89
CC(C)(C)C1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])C=C1	REAL300006395644	0	59	0.0	-77.68	453.65	11.94	-65.74
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006395769	0	58	0.0	-55.05	425.35	11.56	-43.49
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006395769	1	58	0.0	-66.13	432.51	11.31	-54.82
CC(C)(C)C1=CC=C(C(NC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])C=C1	REAL300006395791	1	56	0.0	-58.35	422.36	7.54	-50.81
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006395944	0	58	0.0	-62.60	427.07	11.12	-51.48
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006395944	1	58	0.0	-54.42	420.51	11.33	-43.09
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C(F)(F)F)C1	REAL300006395945	0	52	0.0	-72.25	394.09	10.00	-62.25
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C(F)(F)F)C1	REAL300006395945	1	52	0.0	-76.24	412.72	10.01	-66.23
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)N1	REAL300006395967	1	53	0.0	-60.55	418.76	9.64	-50.91
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300006396310	0	58	0.0	-79.24	449.41	12.63	-66.61
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300006396316	0	59	0.0	-84.51	456.74	11.59	-72.92
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006396424	0	52	0.0	-70.87	398.53	10.02	-60.85
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300006396428	0	58	0.0	-56.41	419.51	11.03	-45.38
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=CN21	REAL300006396431	0	50	0.0	-66.75	400.35	11.57	-55.18
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006396477	0	61	0.0	-59.31	440.97	12.17	-47.14
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006396477	1	61	0.0	-55.27	440.06	12.22	-43.05
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006396478	0	55	0.0	-63.33	410.39	10.61	-52.72
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006396478	1	55	0.0	-65.09	410.39	10.61	-54.48
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006396483	0	52	0.0	-68.34	393.40	9.91	-58.43
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300006396483	1	52	0.0	-66.43	393.36	9.89	-56.54
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300006396485	1	52	0.0	-80.27	413.39	10.10	-70.17
CC(C)(C)C1=CC=C(C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])C=C1	REAL300006396493	1	54	0.0	-65.03	400.60	10.74	-54.29
CC(C)(C)C1=CC=C(C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])C=C1	REAL300006396493	1	54	0.0	-60.18	401.23	11.11	-49.07
CC(C)C1=CC=C(C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300006397377	0	59	0.0	-76.85	453.98	13.13	-63.72
CC(C)C1=CC=C(C(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300006398542	0	53	0.0	-70.32	406.63	10.97	-59.35
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(C(C)C)C=C3)CN21	REAL300006398566	1	51	0.0	-61.95	400.19	10.71	-51.24
CC(C)C1=CC=C(C(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300006398632	1	54	0.0	-70.10	405.80	7.80	-62.30
CC(C)C1=CC=C(C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300006398664	0	49	0.0	-57.62	365.47	9.31	-48.31
CC(C)C1=CC=C(C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300006398664	1	49	0.0	-58.49	374.78	9.50	-48.99
CC(C)C1=CC=C(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300006398731	0	49	0.0	-73.86	377.15	9.62	-64.24
CC(C)C1=CC=C(C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C=C1	REAL300006398758	0	44	0.0	-70.68	363.00	11.40	-59.28
CC(C)C1=CC=C(C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300006398788	0	58	0.0	-71.56	417.11	11.57	-59.99
CC(C)C1=CC=C(C(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300006398792	0	58	0.0	-65.58	430.98	11.55	-54.03
CC(C)C1=CC=C(C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300006398792	1	58	0.0	-66.09	431.20	11.48	-54.61
CC(C)C1=CC=C(C(NC(=O)C2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300006398805	0	46	0.0	-56.21	359.27	8.89	-47.32
CC(C)C1=CC=C(C(NC(=O)C2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300006398805	1	46	0.0	-55.83	352.83	8.45	-47.38
CC(C)C1=CC=C(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300006398852	0	49	0.0	-73.86	377.15	9.62	-64.24
CC(C)C1=CC=C(C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])C=C1	REAL300006398855	0	52	0.0	-82.71	422.06	10.54	-72.17
CC(C)C1=CC=C(C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])C=C1	REAL300006398866	0	60	0.0	-77.88	444.53	10.18	-67.70
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300006398898	1	50	0.0	-67.36	403.78	10.79	-56.57
CC(C)C1=CC=C(C(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300006398899	1	56	0.0	-74.42	430.84	9.55	-64.87
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1)C(C)C	REAL300006398901	0	61	0.0	-80.09	459.28	13.08	-67.01
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1)C(C)C	REAL300006398901	1	61	0.0	-80.01	450.09	12.64	-67.37
CC(C)C1=CC=C(C(NC(=O)[C@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300006398904	0	46	0.0	-59.24	357.90	8.96	-50.28
CC(C)C1=CC=C(C(NC(=O)[C@H]2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300006398904	1	46	0.0	-61.37	352.84	8.43	-52.94
CC(C)C1=CC=C(C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300006398941	0	56	0.0	-66.82	436.39	12.28	-54.54
CC(C)C1=CC=C(C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300006398941	1	56	0.0	-65.44	437.55	12.46	-52.98
CC(C)C1=CC=C(C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])C=C1	REAL300006398942	0	57	0.0	-77.29	436.59	11.77	-65.52
CC(C)C1=CC=C(C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])C=C1	REAL300006398966	0	60	0.0	-67.63	425.51	9.63	-58.00
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1)[NH+](CC)CC	REAL300006398970	0	54	0.0	-51.69	398.73	10.27	-41.42
CC(C)C1=CC=C(C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006398972	0	55	0.0	-60.08	427.55	11.97	-48.11
CC(C)C1=CC=C(C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006398972	1	55	0.0	-60.55	427.61	11.89	-48.66
CC(C)C1=CC=C(C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])C=C1	REAL300006398992	0	51	0.0	-77.83	406.10	9.96	-67.87
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300006398996	0	60	0.0	-69.12	450.65	11.89	-57.23
CC(C)C1=CC=C(C(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1	REAL300006398998	1	47	0.0	-76.77	369.97	8.43	-68.34
CC(C)C1=CC=C(C(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1	REAL300006398998	1	47	0.0	-72.19	369.95	8.43	-63.76
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300006399005	1	50	0.0	-56.83	398.48	10.64	-46.19
CC(C)C1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])C=C1	REAL300006399020	0	56	0.0	-83.61	435.79	12.54	-71.07
CC(C)C1=CC=C(C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])C=C1	REAL300006399025	0	59	0.0	-74.62	452.31	13.31	-61.31
CC(C)C1=CC=C(C(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300006399028	0	49	0.0	-68.77	383.29	9.66	-59.11
CC(C)C1=CC=C(C(NC(=O)CCCC[NH+](C)C)C(=O)[O-])C=C1	REAL300006399036	0	51	0.0	-73.26	397.93	10.09	-63.17
CC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300006399057	1	50	0.0	-80.50	408.54	9.78	-70.72
CC(C)C1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])C=C1	REAL300006399060	0	59	0.0	-83.77	452.53	13.25	-70.52
CC(C)C1=CC=C(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1	REAL300006399071	1	52	0.0	-78.71	416.00	10.06	-68.65
CC(C)C1=CC=C(C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300006399072	0	55	0.0	-86.59	433.42	12.24	-74.35
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300006399077	1	48	0.0	-58.46	382.11	8.98	-49.48
CC(C)C1=CC=C(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300006399078	1	57	0.0	-75.30	446.95	11.90	-63.40
CC(C)C1=CC=C(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300006399078	1	57	0.0	-74.91	446.27	11.96	-62.95
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300006399085	0	48	0.0	-57.81	371.79	9.38	-48.43
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300006399085	1	48	0.0	-57.57	371.42	9.35	-48.22
CC(C)C1=CC=C(C(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])C=C1	REAL300006399099	0	49	0.0	-56.10	379.07	9.90	-46.20
CC(C)C1=CC=C(C(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])C=C1	REAL300006399099	1	49	0.0	-56.50	378.91	9.87	-46.63
CC(C)C1=CC=C(C(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])C=C1	REAL300006399126	0	54	0.0	-58.12	402.56	10.43	-47.69
CC(C)C1=CC=C(C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])C=C1	REAL300006399126	1	54	0.0	-57.43	402.21	10.45	-46.98
CC(C)C1=CC=C(C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006399128	0	55	0.0	-61.13	431.92	12.33	-48.80
CC(C)C1=CC=C(C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006399128	1	55	0.0	-61.20	431.94	12.33	-48.87
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300006399129	0	59	0.0	-65.36	460.96	8.51	-56.85
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300006399129	1	59	0.0	-68.11	460.98	8.50	-59.61
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1)[NH+](C)C	REAL300006399132	0	48	0.0	-54.72	363.07	8.91	-45.81
CC(C)C1=CC=C(C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300006399134	0	53	0.0	-63.43	403.14	8.24	-55.19
CC(C)C1=CC=C(C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300006399134	1	53	0.0	-66.77	399.63	8.36	-58.41
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300006399146	0	57	0.0	-59.46	436.53	11.65	-47.81
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300006399146	1	57	0.0	-58.96	436.29	11.73	-47.23
CC(C)C1=CC=C(C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])C=C1	REAL300006399160	1	44	0.0	-77.37	363.03	11.49	-65.88
CC(C)C1=CC=C(C(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])C=C1	REAL300006399170	0	50	0.0	-61.10	391.90	10.19	-50.91
CC(C)C1=CC=C(C(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])C=C1	REAL300006399170	1	50	0.0	-61.09	392.13	10.14	-50.95
CC(C)C1=CC=C(C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300006399185	0	60	0.0	-71.49	447.91	9.14	-62.35
CC(C)C1=CC=C(C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1	REAL300006399185	1	60	0.0	-64.72	444.50	8.86	-55.86
CC(C)C1=CC=C(C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300006399186	0	63	0.0	-71.65	469.64	9.87	-61.78
CC(C)C1=CC=C(C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1	REAL300006399186	1	63	0.0	-69.64	466.00	9.65	-59.99
CC(C)C1=CC=C(C(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])C=C1	REAL300006399187	0	53	0.0	-52.42	397.14	10.71	-41.71
CC(C)C1=CC=C(C(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])C=C1	REAL300006399187	1	53	0.0	-53.78	397.34	10.73	-43.05
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CC(C)C1=CC=C(C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C=C1	REAL300006399194	0	58	0.0	-68.94	448.78	11.22	-57.72
CC(C)C1=CC=C(C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C=C1	REAL300006399194	1	58	0.0	-63.23	442.50	11.43	-51.80
CC(C)C1=CC=C(C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300006399199	1	56	0.0	-58.57	427.86	12.46	-46.11
CC(C)C1=CC=C(C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300006399199	1	56	0.0	-55.26	430.65	12.31	-42.95
CC(C)C1=CC=C(C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300006399214	0	59	0.0	-73.38	457.40	13.12	-60.26
CC(C)C1=CC=C(C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300006399214	1	59	0.0	-72.34	455.54	13.14	-59.20
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CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C1	REAL300006400662	0	58	0.0	-58.72	424.75	11.85	-46.87
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C[N@H+]1CCCC(C(=O)NC2=CC=C3NC(C(=O)[O-])=CC3=C2)C1	REAL300006406535	1	41	0.0	-75.34	326.91	7.01	-68.33
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C3NC(C(=O)[O-])=CC3=C2)O1	REAL300006406537	1	41	0.0	-79.53	346.78	7.23	-72.30
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C3NC(C(=O)[O-])=CC3=C2)C1	REAL300006406543	0	50	0.0	-76.54	372.58	8.51	-68.03
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C3NC(C(=O)[O-])=CC3=C2)C1	REAL300006406543	1	50	0.0	-76.56	372.60	8.53	-68.03
O=C([O-])C1=CC2=CC(NC(=O)C34CC(C3)CN4C3CC3)=CC=C2N1	REAL300006406546	0	43	0.0	-72.68	338.56	8.48	-64.20
O=C([O-])C1=CC2=CC(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)=CC=C2N1	REAL300006406546	1	43	0.0	-71.05	339.33	8.04	-63.01
O=C([O-])C1=CC2=CC(NC(=O)C34CC(C3)C[N@H+]4C3CC3)=CC=C2N1	REAL300006406546	1	43	0.0	-72.68	338.56	8.48	-64.20
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCC(C(F)F)CC2)C1	REAL300006406627	1	49	0.0	-49.56	357.97	8.38	-41.18
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(C=CC(=O)N3)C2)C1	REAL300006406732	0	44	0.0	-60.89	337.94	6.51	-54.38
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C=CC(=O)N3)C2)C1	REAL300006406732	1	44	0.0	-59.71	337.96	6.50	-53.21
CC1(C)CCC(F)(F)CC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006406839	1	49	0.0	-47.64	356.79	9.15	-38.49
CCOC1=CC=C(C(CO)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006406954	1	51	0.0	-47.95	388.22	5.34	-42.61
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CO)C2CCC3=CC=CC=C32)C1	REAL300006407084	0	51	0.0	-47.83	386.48	6.77	-41.06
O=C([O-])C1CCC[N@H+](CC(=O)NC(CO)C2CCC3=CC=CC=C32)C1	REAL300006407084	1	51	0.0	-45.62	378.93	6.34	-39.28
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300006407179	0	43	0.0	-50.41	339.94	8.32	-42.09
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300006407179	1	43	0.0	-51.49	341.11	8.35	-43.14
CC1C2=CC=C(Cl)C=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006407277	0	47	0.0	-49.65	368.75	10.87	-38.78
CC1C2=CC=C(Cl)C=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006407277	1	47	0.0	-46.09	360.44	10.41	-35.68
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006407318	1	44	0.0	-70.71	360.23	9.07	-61.64
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300006407319	1	48	0.0	-77.24	391.32	9.33	-67.91
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300006407320	1	44	0.0	-80.18	360.28	9.05	-71.13
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])S1	REAL300006407321	1	41	0.0	-64.12	354.53	8.22	-55.90
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300006407322	1	43	0.0	-59.95	358.36	7.33	-52.62
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300006407323	1	51	0.0	-75.96	415.10	10.89	-65.07
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(OCC(=O)[O-])C(OCC)=C1	REAL300006407324	1	55	0.0	-75.85	442.31	10.00	-65.85
CCCC1=[NH+]C=CN1CCCNC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300006407325	1	50	0.0	-74.78	406.31	10.53	-64.25
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300006407326	1	43	0.0	-82.34	356.37	7.29	-75.05
CCCC1=[NH+]C=CN1CCCNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300006407327	1	48	0.0	-74.43	394.76	10.25	-64.18
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006407328	1	46	0.0	-58.13	388.40	9.72	-48.41
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006407329	1	46	0.0	-58.13	388.40	9.72	-48.41
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1	REAL300006407330	1	54	0.0	-75.88	435.23	10.61	-65.27
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006407331	1	51	0.0	-84.46	417.88	10.64	-73.82
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])O1	REAL300006407332	1	41	0.0	-60.09	346.67	7.45	-52.64
CCCC1=[NH+]C=CN1CCCNC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300006407333	1	50	0.0	-67.84	397.65	10.28	-57.56
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300006407334	1	54	0.0	-72.67	435.33	10.89	-61.78
CCCC1=[NH+]C=CN1CCCNC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300006407335	1	47	0.0	-78.87	384.95	9.73	-69.14
CCCC1=[NH+]C=CN1CCCNC(=O)C1CCCC(C(=O)[O-])C1	REAL300006407336	1	50	0.0	-78.87	379.81	9.14	-69.73
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300006407337	1	43	0.0	-70.69	356.11	7.27	-63.42
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006407338	1	43	0.0	-61.65	357.64	7.32	-54.33
CCCC1=[NH+]C=CN1CCCNC(=O)CC(C)(C)CC(=O)[O-]	REAL300006407339	1	49	0.0	-69.31	369.44	8.48	-60.83
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300006407340	1	44	0.0	-70.83	364.76	9.14	-61.69
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300006407341	1	42	0.0	-64.11	353.23	5.46	-58.65
CCCC1=[NH+]C=CN1CCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006407342	1	50	0.0	-69.41	385.07	9.27	-60.14
CCCC1=[NH+]C=CN1CCCNC(=O)C1CCC(C(=O)[O-])CC1	REAL300006407343	1	50	0.0	-70.23	386.36	9.30	-60.93
CCCC1=[NH+]C=CN1CCCNC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300006407344	1	47	0.0	-80.93	384.91	9.74	-71.19
CCCC1=[NH+]C=CN1CCCNC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300006407345	1	43	0.0	-82.64	362.06	5.71	-76.93
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])C(C)=N1	REAL300006407346	1	46	0.0	-61.74	373.91	7.84	-53.90
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300006407347	1	44	0.0	-72.96	381.52	9.65	-63.31
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006407348	1	44	0.0	-70.71	360.23	9.07	-61.64
CCCC1=[NH+]C=CN1CCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006407349	1	47	0.0	-75.72	367.52	8.65	-67.07
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300006407350	1	47	0.0	-74.07	382.47	9.82	-64.25
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300006407351	1	54	0.0	-70.46	426.40	12.39	-58.07
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300006407352	1	44	0.0	-73.22	362.68	7.97	-65.25
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(CC(=O)[O-])OC=C1C	REAL300006407353	1	47	0.0	-57.66	389.54	8.59	-49.07
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300006407354	1	43	0.0	-69.04	357.84	7.34	-61.70
CCCC1=[NH+]C=CN1CCCNC(=O)C12CC(C(=O)[O-])(C1)C2	REAL300006407355	1	45	0.0	-68.69	363.76	8.63	-60.06
CCCC1=[NH+]C=CN1CCCNC(=O)CC1CCC(C(=O)[O-])CC1	REAL300006407356	1	53	0.0	-75.78	405.07	9.99	-65.79
CCCC1=[NH+]C=CN1CCCNC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300006407357	1	51	0.0	-77.97	394.34	9.45	-68.52
CCCC1=[NH+]C=CN1CCCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006407358	1	54	0.0	-72.08	403.80	9.96	-62.12
CCCC1=[NH+]C=CN1CCCNC(=O)CC(C)(C)CC(=O)[O-]	REAL300006407359	1	49	0.0	-69.31	369.44	8.48	-60.83
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300006407360	1	46	0.0	-72.68	382.10	8.36	-64.32
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006407361	1	51	0.0	-78.50	412.39	9.76	-68.74
CCCC1=[NH+]C=CN1CCCNC(=O)C1=NOC(C(=O)[O-])=C1	REAL300006407362	1	40	0.0	-60.04	341.10	6.62	-53.42
CCCC1=[NH+]C=CN1CCCNC(=O)C1(C(=O)[O-])CCCC1	REAL300006407363	1	47	0.0	-57.33	364.40	8.72	-48.61
CCCC1=[NH+]C=CN1CCCNC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006407364	1	57	0.0	-69.76	439.15	11.95	-57.81
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300006407365	1	44	0.0	-64.20	363.41	8.20	-56.00
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300006407366	1	44	0.0	-60.44	364.59	8.03	-52.41
CCCC1=[NH+]C=CN1CCCNC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006407367	1	44	0.0	-78.85	366.99	7.20	-71.65
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300006407368	1	45	0.0	-63.35	379.79	8.64	-54.71
CCCC1=[NH+]C=CN1CCCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300006407369	1	51	0.0	-54.44	391.37	9.76	-44.68
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300006407370	1	48	0.0	-70.40	391.24	9.33	-61.07
CCCC1=[NH+]C=CN1CCCNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006407371	1	53	0.0	-79.13	428.54	9.63	-69.50
CCCC1=[NH+]C=CN1CCCNC(=O)CCSCC(=O)[O-]	REAL300006407372	1	44	0.0	-67.99	370.11	8.25	-59.74
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006407373	1	43	0.0	-61.65	357.64	7.32	-54.33
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300006407374	1	44	0.0	-69.18	362.71	6.71	-62.47
CCCC1=[NH+]C=CN1CCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300006407375	1	48	0.0	-76.27	382.60	8.57	-67.70
CCCC1=[NH+]C=CN1CCCNC(=O)C(C)(C)CCC(=O)[O-]	REAL300006407376	1	49	0.0	-74.52	378.24	8.61	-65.91
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006407377	1	47	0.0	-68.03	382.42	9.83	-58.20
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006407378	1	48	0.0	-72.05	392.31	10.35	-61.70
CCCC1=[NH+]C=CN1CCCNC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006407379	1	45	0.0	-71.11	379.31	8.50	-62.61
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300006407380	1	50	0.0	-76.18	395.22	10.59	-65.59
CCCC1=[NH+]C=CN1CCCNC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006407381	1	47	0.0	-80.13	393.00	4.80	-75.33
CCCC1=[NH+]C=CN1CCCNC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006407382	1	45	0.0	-67.36	380.84	8.87	-58.49
CCCC1=[NH+]C=CN1CCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006407383	1	47	0.0	-75.72	367.52	8.65	-67.07
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300006407384	1	47	0.0	-79.62	376.23	9.59	-70.03
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006407385	1	43	0.0	-72.38	355.40	7.26	-65.12
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C(=O)[O-])=CN=C1C	REAL300006407386	1	46	0.0	-58.75	371.72	7.92	-50.83
CCCC1=[NH+]C=CN1CCCNC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006407387	1	44	0.0	-89.33	366.35	7.22	-82.11
CCCC1=[NH+]C=CN1CCCNC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006407388	1	50	0.0	-89.34	409.96	8.59	-80.75
CCCC1=[NH+]C=CN1CCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300006407389	1	51	0.0	-78.09	403.94	9.01	-69.08
CCCC1=[NH+]C=CN1CCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006407390	1	51	0.0	-70.90	403.08	7.86	-63.04
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(C)C=C(C(=O)[O-])O1	REAL300006407391	1	44	0.0	-60.41	364.47	8.13	-52.28
CCCC1=[NH+]C=CN1CCCNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006407392	1	52	0.0	-55.16	390.30	10.36	-44.80
CCCC1=[NH+]C=CN1CCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300006407393	1	50	0.0	-73.61	376.27	9.59	-64.02
CCCC1=NC=CN1CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006407394	0	52	0.0	-53.01	391.45	8.75	-44.26
CCCC1=NC=CN1CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006407394	1	52	0.0	-52.40	394.79	8.47	-43.93
CCCC1=[NH+]C=CN1CCCNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300006407395	1	51	0.0	-51.42	400.24	10.87	-40.55
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006407396	1	51	0.0	-78.50	412.39	9.76	-68.74
CCCC1=[NH+]C=CN1CCCNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006407397	1	51	0.0	-89.47	418.26	11.18	-78.29
CCCC1=[NH+]C=CN1CCCNC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006407398	1	48	0.0	-71.16	381.32	9.38	-61.78
CCCC1=[NH+]C=CN1CCCNC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	REAL300006407399	1	50	0.0	-76.25	392.08	9.82	-66.43
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300006407400	1	47	0.0	-60.67	376.27	9.73	-50.94
CCCC1=[NH+]C=CN1CCCNC(=O)C1CC(C)(C(=O)[O-])C1	REAL300006407401	1	47	0.0	-63.57	369.45	8.46	-55.11
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(C(=O)[O-])SC=C1	REAL300006407402	1	41	0.0	-77.38	347.31	9.01	-68.37
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C(=O)[O-])=NN1	REAL300006407403	1	41	0.0	-74.92	344.10	5.48	-69.44
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300006407404	1	46	0.0	-70.27	365.88	7.82	-62.45
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300006407405	1	47	0.0	-70.73	376.25	9.73	-61.00
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006407406	1	44	0.0	-69.43	372.71	9.56	-59.87
CCCC1=[NH+]C=CN1CCCNC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300006407407	1	51	0.0	-72.66	401.19	9.91	-62.75
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1	REAL300006407408	1	47	0.0	-58.03	388.09	6.65	-51.38
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300006407409	1	45	0.0	-70.97	362.85	8.26	-62.71
CCCC1=[NH+]C=CN1CCCNC(=O)C1(C(=O)[O-])CC=CC1	REAL300006407410	1	45	0.0	-56.86	356.71	8.59	-48.27
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006407411	1	50	0.0	-69.83	403.81	10.63	-59.20
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(C(=O)[O-])C(C)=NN1	REAL300006407412	1	44	0.0	-73.49	355.77	6.87	-66.62
CCCC1=[NH+]C=CN1CCCNC(=O)CC1(CC(=O)[O-])CC1	REAL300006407413	1	47	0.0	-64.10	371.83	8.78	-55.32
CCCC1=[NH+]C=CN1CCCNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006407414	1	48	0.0	-69.64	394.31	9.55	-60.09
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CSC(C(=O)[O-])=N1	REAL300006407415	1	40	0.0	-57.38	349.90	6.20	-51.18
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300006407416	1	44	0.0	-61.39	369.49	8.89	-52.50
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006407417	1	44	0.0	-71.50	390.05	9.63	-61.87
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl	REAL300006407418	1	48	0.0	-73.48	397.94	8.74	-64.74
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C	REAL300006407419	1	47	0.0	-62.49	384.17	9.35	-53.14
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006407420	1	47	0.0	-79.31	395.40	10.33	-68.98
CCCC1=[NH+]C=CN1CCCNC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006407421	1	49	0.0	-71.74	393.37	8.51	-63.23
CCCC1=[NH+]C=CN1CCCNC(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300006407422	1	46	0.0	-64.46	370.04	6.64	-57.82
CCCC1=[NH+]C=CN1CCCNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006407423	1	48	0.0	-74.45	394.80	10.25	-64.20
CCCC1=[NH+]C=CN1CCCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300006407424	1	51	0.0	-54.44	391.37	9.76	-44.68
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C(C(=O)[O-])C=NN1C	REAL300006407425	1	44	0.0	-69.06	366.21	6.46	-62.60
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006407426	1	45	0.0	-62.52	385.41	8.06	-54.46
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006407427	1	45	0.0	-71.84	385.59	8.20	-63.64
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006407428	1	45	0.0	-63.88	376.76	7.21	-56.67
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300006407429	1	47	0.0	-77.18	370.38	9.61	-67.57
CCCC1=[NH+]C=CN1CCCNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006407430	1	47	0.0	-75.86	390.57	8.47	-67.39
C=C1CCC1(C(=O)[O-])C(=O)NCCCN1C=C[NH+]=C1CCC	REAL300006407431	1	45	0.0	-57.14	362.13	8.35	-48.79
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC(C(=O)[O-])=CS1	REAL300006407432	1	41	0.0	-75.19	353.46	8.07	-67.12
CCCC1=[NH+]C=CN1CCCNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300006407433	1	49	0.0	-66.90	380.54	7.30	-59.60
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006407434	1	50	0.0	-76.94	396.24	11.12	-65.82
CCCC1=[NH+]C=CN1CCCNC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-]	REAL300006407435	1	50	0.0	-61.74	390.23	9.27	-52.47
CCCC1=[NH+]C=CN1CCCNC(=O)CC1=CC=C(C(=O)[O-])C=C1C	REAL300006407436	1	50	0.0	-82.26	401.62	10.20	-72.06
CCCC1=[NH+]C=CN1CCCNC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300006407437	1	44	0.0	-78.03	376.49	8.87	-69.16
CCCC1=[NH+]C=CN1CCCNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006407438	1	47	0.0	-83.66	389.45	9.77	-73.89
CCCC1=[NH+]C=CN1CCCNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300006407439	1	47	0.0	-66.06	366.88	8.59	-57.47
CCCC1=[NH+]C=CN1CCCNC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300006407440	1	51	0.0	-64.91	409.24	10.58	-54.33
CCCC1=[NH+]C=CN1CCCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006407441	1	54	0.0	-72.08	403.80	9.96	-62.12
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(O)(CC3=CC=CC(F)=C3)C2)C1	REAL300006407521	0	51	0.0	-50.73	393.40	7.83	-42.90
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(O)(CC3=CC=CC(F)=C3)C2)C1	REAL300006407521	1	51	0.0	-47.31	387.85	7.52	-39.79
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(O)(CC3=CC=C(Cl)C=C3)C2)C1	REAL300006407647	0	51	0.0	-48.59	404.44	8.27	-40.32
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(O)(CC3=CC=C(Cl)C=C3)C2)C1	REAL300006407647	1	51	0.0	-46.14	395.89	7.86	-38.28
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCOC[C@@H]2C(F)(F)F)C1	REAL300006407840	0	44	0.0	-49.27	340.25	6.56	-42.71
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCOC[C@@H]2C(F)(F)F)C1	REAL300006407840	1	44	0.0	-46.44	332.79	6.12	-40.32
CC1(C)C[C@H]2OCC[C@H]2CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006407954	0	54	0.0	-44.92	366.49	8.41	-36.51
CC1(C)C[C@H]2OCC[C@H]2CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006407954	1	54	0.0	-44.37	365.91	8.35	-36.02
C[C@@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(C)(C)C)C=C1	REAL300006408080	0	55	0.0	-45.24	403.43	10.14	-35.10
C[C@@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(C)(C)C)C=C1	REAL300006408080	1	55	0.0	-47.80	404.29	10.60	-37.20
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=COC2=C(F)C=CC=C12	REAL300006408209	0	46	0.0	-54.44	367.87	8.74	-45.70
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=COC2=C(F)C=CC=C12	REAL300006408209	1	46	0.0	-52.71	362.41	8.76	-43.95
CC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300006408294	0	46	0.0	-46.29	344.64	8.74	-37.55
CC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300006408294	1	46	0.0	-48.10	352.08	8.80	-39.30
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CCC4=CC=CC=C43)C2)C1	REAL300006408398	0	51	0.0	-45.04	373.63	10.72	-34.32
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CCC4=CC=CC=C43)C2)C1	REAL300006408398	1	51	0.0	-49.09	375.54	11.15	-37.94
C[C@@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=COC2=C(F)C=CC=C12	REAL300006408552	0	46	0.0	-54.18	368.07	8.71	-45.47
C[C@@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=COC2=C(F)C=CC=C12	REAL300006408552	1	46	0.0	-53.59	362.61	8.75	-44.84
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=NN2CC(F)(F)F)C1	REAL300006408802	0	43	0.0	-54.69	356.17	6.19	-48.50
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=NN2CC(F)(F)F)C1	REAL300006408802	1	43	0.0	-52.99	350.05	6.18	-46.81
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300006410128	0	54	0.0	-56.03	419.44	11.90	-44.13
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNC(=O)C2CCC[N@@H+]2C2CC2)=C1	REAL300006410148	0	51	0.0	-61.06	402.96	11.12	-49.94
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNC(=O)C2CCC[N@H+]2C2CC2)=C1	REAL300006410148	1	51	0.0	-53.92	398.83	10.76	-43.16
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)CN21	REAL300006410152	1	52	0.0	-58.10	417.59	11.78	-46.32
C[NH+](C)CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410198	0	43	0.0	-59.36	350.08	9.02	-50.34
C[N@@H+]1CCCCC1C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410199	0	50	0.0	-57.59	382.81	10.39	-47.20
C[N@H+]1CCCCC1C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410199	1	50	0.0	-52.81	392.02	10.63	-42.18
CC(C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300006410200	1	55	0.0	-66.57	423.74	8.84	-57.73
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410229	0	50	0.0	-61.55	391.97	10.61	-50.94
C[N@H+]1CCCC[C@H]1C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410229	1	50	0.0	-57.84	382.83	10.47	-47.37
C[NH+]1CCC(C(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300006410273	0	50	0.0	-58.27	394.67	10.69	-47.58
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300006410300	0	45	0.0	-65.26	380.13	12.52	-52.74
C[NH+](C)CC1(C(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CCCCC1	REAL300006410321	0	59	0.0	-68.50	422.21	13.32	-55.18
C[N@H+](CCC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300006410325	0	59	0.0	-61.03	448.49	12.63	-48.40
C[N@@H+](CCC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300006410325	1	59	0.0	-59.29	448.50	12.62	-46.67
C[N@@H+]1CCCC1C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410336	0	47	0.0	-58.16	375.72	9.99	-48.17
C[N@H+]1CCCC1C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410336	1	47	0.0	-62.28	369.94	9.58	-52.70
C[NH+]1CCC(C(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300006410378	0	50	0.0	-58.27	394.67	10.69	-47.58
CC1=[NH+]C=CN1CCCC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410413	1	51	0.0	-60.03	421.05	11.93	-48.10
O=C([O-])C1=CC(C2=CC=CC=C2CNC(=O)CCCC[NH+]2CCOCC2)=CC=C1	REAL300006410414	1	57	0.0	-67.57	448.35	10.61	-56.96
C[C@@H](C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300006410420	0	46	0.0	-60.50	368.15	9.42	-51.08
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410421	0	47	0.0	-53.20	369.95	9.58	-43.62
C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410421	1	47	0.0	-56.92	375.87	10.07	-46.85
C[C@H](C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300006410425	0	46	0.0	-56.25	367.75	9.51	-46.74
C[NH+](C)C1(C(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300006410433	0	47	0.0	-61.44	378.76	10.39	-51.05
CCC(C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)[NH+](CC)CC	REAL300006410488	0	55	0.0	-55.44	414.77	11.48	-43.96
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300006410507	0	52	0.0	-87.51	424.06	11.05	-76.46
CCC[NH+](CCC)CCCC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410510	0	61	0.0	-62.52	472.07	13.24	-49.28
C[N@@H+]1CCOC(C(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300006410511	1	48	0.0	-55.25	387.36	9.48	-45.77
C[N@H+]1CCOC(C(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300006410511	1	48	0.0	-67.69	379.49	9.34	-58.35
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410520	1	51	0.0	-56.11	415.73	11.75	-44.36
C[NH+](C)CC1(C(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300006410529	0	50	0.0	-68.75	401.31	10.75	-58.00
C[NH+](C)CCCCC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410534	0	52	0.0	-66.23	415.44	11.16	-55.07
CC(C)C(C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300006410543	0	52	0.0	-55.96	398.54	11.28	-44.68
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410560	1	49	0.0	-55.55	399.47	10.04	-45.51
CCC[N@H+](C)CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410567	0	49	0.0	-58.26	389.31	10.43	-47.83
CCC[N@@H+](C)CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410567	1	49	0.0	-58.46	389.27	10.44	-48.02
C[N@H+](CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCC1	REAL300006410586	0	50	0.0	-56.28	396.30	11.01	-45.27
C[N@@H+](CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCC1	REAL300006410586	1	50	0.0	-57.80	396.20	11.00	-46.80
CC(C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)[NH+]1CCSCC1	REAL300006410598	1	51	0.0	-60.45	404.92	10.89	-49.56
C[N@H+](CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)CC(C)(C)C	REAL300006410599	0	55	0.0	-57.05	417.49	11.45	-45.60
C[N@@H+](CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)CC(C)(C)C	REAL300006410599	1	55	0.0	-58.35	420.06	11.57	-46.78
CC[C@@H](C(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300006410603	0	49	0.0	-61.10	380.23	10.04	-51.06
C[N@@H+]1CCCC(O)(CC(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300006410605	0	54	0.0	-75.36	417.44	9.47	-65.89
C[N@H+]1CCCC(O)(CC(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300006410605	1	54	0.0	-56.77	420.54	9.35	-47.42
CCCCCC[N@H+](C)CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410625	0	58	0.0	-59.09	453.80	12.77	-46.32
CCCCCC[N@@H+](C)CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300006410625	1	58	0.0	-59.24	453.76	12.78	-46.46
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNC(=O)C23CCC[NH+]2CCC3)=C1	REAL300006410632	0	51	0.0	-48.30	394.62	11.01	-37.29
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNC(=O)C2=CC3=C[NH+]=CN3C=C2)=C1	REAL300006410640	1	45	0.0	-87.10	380.57	12.55	-74.55
C[N@H+](CC(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCSC1	REAL300006410647	0	51	0.0	-61.62	409.43	11.27	-50.35
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CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300006425094	0	51	0.0	-75.68	376.14	7.22	-68.46
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300006425094	1	51	0.0	-72.89	376.93	7.28	-65.61
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=C1	REAL300006425098	0	52	0.0	-73.61	397.45	9.44	-64.17
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CC(C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006425107	1	44	0.0	-62.60	334.40	9.63	-52.97
CC(C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006425107	1	44	0.0	-61.92	339.23	9.95	-51.97
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C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=NN1	REAL300006425134	1	41	0.0	-82.20	326.01	6.81	-75.39
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=NN1	REAL300006425134	1	41	0.0	-77.47	320.46	6.67	-70.80
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CC[NH+]1CCN(CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300006425282	0	45	0.0	-75.24	341.86	6.14	-69.10
CCN1CC[NH+](CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300006425282	1	45	0.0	-70.00	340.22	5.93	-64.07
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300006425369	0	52	0.0	-63.93	382.83	8.47	-55.46
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300006425400	0	47	0.0	-81.02	366.33	10.66	-70.36
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300006425400	1	47	0.0	-82.05	363.33	10.19	-71.86
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C=CC[N@@H+]1CCCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300006426430	1	48	0.0	-95.21	374.38	11.72	-83.49
C=CC[N@H+]1CCCN(C(=O)C2=CC(C(=O)[O-])=CC=C2C)CC1	REAL300006426431	0	44	0.0	-68.75	337.59	9.89	-58.86
C=CC[N@@H+]1CCCN(C(=O)C2=CC(C(=O)[O-])=CC=C2C)CC1	REAL300006426431	1	44	0.0	-67.65	334.15	9.90	-57.75
C=CC[N@H+]1CCCN(C(=O)C2=CN=CC(C(=O)[O-])=C2C)CC1	REAL300006426432	0	43	0.0	-68.30	327.04	7.96	-60.34
C=CC[N@@H+]1CCCN(C(=O)C2=CN=CC(C(=O)[O-])=C2C)CC1	REAL300006426432	1	43	0.0	-67.18	324.48	7.94	-59.24
C=CC[N@H+]1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300006426433	0	44	0.0	-72.57	336.46	9.88	-62.69
C=CC[N@@H+]1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300006426433	1	44	0.0	-72.18	334.28	9.94	-62.24
C=CC[N@H+]1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300006426434	0	41	0.0	-69.67	334.11	9.79	-59.88
C=CC[N@@H+]1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300006426434	1	41	0.0	-72.68	326.39	9.56	-63.12
C=CC[N@H+]1CCCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300006426435	0	48	0.0	-76.01	358.07	10.45	-65.56
C=CC[N@@H+]1CCCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300006426435	1	48	0.0	-72.27	355.56	10.40	-61.87
C=CC[N@H+]1CCCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)CC1	REAL300006426436	1	44	0.0	-46.91	337.63	8.00	-38.91
C=CC[N@@H+]1CCCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)CC1	REAL300006426436	1	44	0.0	-47.12	338.71	7.84	-39.28
C=CC[N@H+]1CCCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300006426437	0	47	0.0	-75.08	356.08	10.68	-64.40
C=CC[N@@H+]1CCCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300006426437	1	47	0.0	-74.08	354.82	10.68	-63.40
C=CC[N@H+]1CCCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300006426438	0	45	0.0	-70.22	351.24	10.12	-60.10
C=CC[N@@H+]1CCCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300006426438	1	45	0.0	-73.57	348.90	10.02	-63.55
C=CC[N@H+]1CCCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300006426439	0	41	0.0	-66.12	328.39	9.14	-56.98
C=CC[N@@H+]1CCCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300006426439	1	41	0.0	-66.79	326.96	9.12	-57.67
C=CC[N@H+]1CCCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300006426440	1	41	0.0	-81.06	339.62	9.57	-71.49
C=CC[N@@H+]1CCCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300006426440	1	41	0.0	-80.66	338.26	9.53	-71.13
C=CC[N@H+]1CCCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC1	REAL300006426441	0	45	0.0	-67.02	358.74	8.95	-58.07
C=CC[N@@H+]1CCCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC1	REAL300006426441	1	45	0.0	-68.87	357.87	8.93	-59.94
C=CC[N@H+]1CCCN(C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)CC1	REAL300006426442	1	44	0.0	-66.46	341.85	9.91	-56.55
C=CC[N@@H+]1CCCN(C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)CC1	REAL300006426442	1	44	0.0	-67.85	344.67	9.99	-57.86
C=CC[N@H+]1CCCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300006426443	1	44	0.0	-90.44	344.94	10.27	-80.17
C=CC[N@@H+]1CCCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300006426443	1	44	0.0	-90.21	343.59	10.23	-79.98
C=CC[N@H+]1CCCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300006426444	0	46	0.0	-67.80	351.32	9.14	-58.66
C=CC[N@@H+]1CCCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300006426444	1	46	0.0	-64.83	349.31	9.11	-55.72
C=CC[N@H+]1CCCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006426445	0	45	0.0	-79.67	351.35	10.83	-68.84
C=CC[N@@H+]1CCCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300006426445	1	45	0.0	-79.27	349.97	10.80	-68.47
C=CC[N@H+]1CCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300006426446	0	48	0.0	-49.20	347.49	10.00	-39.20
C=CC[N@@H+]1CCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300006426446	1	48	0.0	-63.70	346.49	9.92	-53.78
C=CC[N@H+]1CCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300006426447	0	42	0.0	-64.65	339.42	8.85	-55.80
C=CC[N@@H+]1CCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300006426447	1	42	0.0	-58.09	333.42	8.99	-49.10
C=CC[N@H+]1CCCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300006426448	0	42	0.0	-76.65	336.04	9.09	-67.56
C=CC[N@@H+]1CCCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300006426448	1	42	0.0	-75.49	333.85	9.18	-66.31
C=CC[N@H+]1CCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300006426449	0	42	0.0	-66.17	330.76	7.99	-58.18
C=CC[N@@H+]1CCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300006426449	1	42	0.0	-61.28	325.78	8.05	-53.23
C=CC[N@H+]1CCCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300006426450	0	44	0.0	-74.53	330.00	9.78	-64.75
C=CC[N@@H+]1CCCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300006426450	1	44	0.0	-71.83	328.25	9.75	-62.08
C=CC[N@H+]1CCCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300006426451	0	44	0.0	-80.06	347.09	9.03	-71.03
C=CC[N@@H+]1CCCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300006426451	1	44	0.0	-79.56	345.67	9.00	-70.56
C=CC[N@H+]1CCCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300006426452	0	46	0.0	-59.18	330.70	8.42	-50.76
C=CC[N@@H+]1CCCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300006426452	1	46	0.0	-68.38	334.18	7.83	-60.55
C=CC[N@H+]1CCCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300006426453	0	47	0.0	-76.50	357.77	11.39	-65.11
C=CC[N@@H+]1CCCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300006426453	1	47	0.0	-76.27	354.57	11.30	-64.97
C=CC[N@H+]1CCCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300006426454	0	47	0.0	-86.46	359.06	10.81	-75.65
C=CC[N@@H+]1CCCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300006426454	1	47	0.0	-86.46	357.61	10.76	-75.70
C=CC[N@H+]1CCCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300006426455	0	41	0.0	-83.36	333.89	9.48	-73.88
C=CC[N@@H+]1CCCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300006426455	1	41	0.0	-78.00	332.43	9.42	-68.58
C=CC[N@H+]1CCCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300006426456	0	44	0.0	-88.54	346.89	10.37	-78.17
C=CC[N@@H+]1CCCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300006426456	1	44	0.0	-86.73	345.39	10.30	-76.43
C=CC[N@H+]1CCCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300006426457	1	48	0.0	-67.66	357.35	10.45	-57.21
C=CC[N@@H+]1CCCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300006426457	1	48	0.0	-66.17	360.88	10.63	-55.54
C=CC[N@H+]1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300006426458	0	51	0.0	-76.71	352.26	9.94	-66.77
C=CC[N@@H+]1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300006426458	1	51	0.0	-75.79	349.14	9.89	-65.90
CC1=CC(C)=NN1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006426617	0	46	0.0	-56.23	355.53	6.47	-49.76
CC1=CC(C)=NN1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006426617	1	46	0.0	-51.38	352.76	5.99	-45.39
CCN1C=NN=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006426691	0	45	0.0	-55.68	348.11	9.34	-46.34
CCN1C=NN=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006426691	1	45	0.0	-53.43	344.99	9.41	-44.02
CC1=CN=CC=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006426759	0	45	0.0	-51.34	338.40	8.90	-42.44
CC1=CN=CC=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006426759	1	45	0.0	-51.91	344.95	8.92	-42.99
CN1C=CC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)=N1	REAL300006426855	0	50	0.0	-50.63	388.94	8.84	-41.79
CN1C=CC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)=N1	REAL300006426855	1	50	0.0	-49.93	398.58	9.12	-40.81
CCO[C@@H]1CCCCC[C@H]1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006427070	0	53	0.0	-46.15	383.02	7.58	-38.57
CCO[C@@H]1CCCCC[C@H]1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006427070	1	53	0.0	-48.13	377.55	7.61	-40.52
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3=NC=CC=C32)C1	REAL300006427168	0	46	0.0	-52.37	345.04	7.30	-45.07
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3=NC=CC=C32)C1	REAL300006427168	1	46	0.0	-51.58	344.54	7.31	-44.27
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C3)C1	REAL300006427209	0	45	0.0	-84.33	335.35	8.77	-75.56
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C3)C1	REAL300006427210	0	49	0.0	-94.68	366.32	9.08	-85.60
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=CC(C(=O)[O-])=C2)C3)C1	REAL300006427211	0	45	0.0	-98.78	335.26	8.80	-89.98
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C(=O)[O-])S2)C3)C1	REAL300006427212	0	42	0.0	-77.51	325.85	7.94	-69.57
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=CC(C(=O)[O-])=N2)C3)C1	REAL300006427213	0	44	0.0	-65.59	331.37	7.95	-57.64
CC(SC1=CC=CC=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3)C(=O)[O-]	REAL300006427214	0	52	0.0	-93.48	388.30	10.56	-82.92
CCOC1=CC(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)=CC=C1OCC(=O)[O-]	REAL300006427215	0	56	0.0	-86.92	415.28	9.77	-77.15
C[NH+]1CC23CCCC2(CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C3)C1	REAL300006427216	0	51	0.0	-85.43	385.07	10.69	-74.74
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=NC(C(=O)[O-])=C2)C3)C1	REAL300006427217	0	44	0.0	-97.32	329.08	7.06	-90.26
C[NH+]1CC23CCCC2(CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C3)C1	REAL300006427218	0	49	0.0	-86.41	372.33	10.37	-76.04
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C3)C1	REAL300006427219	0	47	0.0	-65.87	361.37	9.47	-56.40
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C3)C1	REAL300006427220	0	47	0.0	-65.87	361.37	9.47	-56.40
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)C=C1	REAL300006427221	0	55	0.0	-86.97	408.14	10.37	-76.60
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C3)C1	REAL300006427222	0	52	0.0	-81.89	389.87	9.91	-71.98
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C(=O)[O-])O2)C3)C1	REAL300006427223	0	42	0.0	-69.50	320.02	7.64	-61.86
C[NH+]1CC23CCCC2(CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C3)C1	REAL300006427224	0	51	0.0	-84.21	373.76	10.47	-73.74
CC1=CC(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)=CC(C)=C1OCC(=O)[O-]	REAL300006427225	0	55	0.0	-86.64	410.35	10.62	-76.02
C[NH+]1CC23CCCC2(CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C3)C1	REAL300006427226	0	48	0.0	-90.82	363.67	9.87	-80.95
C[NH+]1CC23CCCC2(CN(C(=O)C2CCCC(C(=O)[O-])C2)C3)C1	REAL300006427227	0	51	0.0	-87.45	362.05	9.31	-78.14
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)C3)C1	REAL300006427228	0	44	0.0	-83.02	331.07	6.96	-76.06
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C3)C1	REAL300006427229	0	44	0.0	-71.85	330.64	7.97	-63.88
C[NH+]1CC23CCCC2(CN(C(=O)CC(C)(C)CC(=O)[O-])C3)C1	REAL300006427230	0	50	0.0	-82.64	348.16	8.63	-74.01
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)C3)C1	REAL300006427231	0	45	0.0	-82.69	339.91	8.91	-73.78
C[NH+]1CC23CCCC2(CN(C(=O)C2=CN=C(C(=O)[O-])C=N2)C3)C1	REAL300006427232	0	43	0.0	-74.74	326.24	6.12	-68.62
C[NH+]1CC23CCCC2(CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C3)C1	REAL300006427233	0	51	0.0	-81.51	361.19	9.12	-72.39
C[NH+]1CC23CCCC2(CN(C(=O)C2CCC(C(=O)[O-])CC2)C3)C1	REAL300006427234	0	51	0.0	-82.37	361.15	9.18	-73.19
C[NH+]1CC23CCCC2(CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)C3)C1	REAL300006427235	0	48	0.0	-94.70	363.67	9.89	-84.81
C[NH+]1CC23CCCC2(CN(C(=O)CN2C=C(C(=O)[O-])N=N2)C3)C1	REAL300006427236	0	44	0.0	-97.33	340.71	5.86	-91.47
CC1=NC(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)=CC=C1C(=O)[O-]	REAL300006427237	0	47	0.0	-72.66	346.90	8.45	-64.21
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C3)C1	REAL300006427238	0	45	0.0	-87.40	354.48	9.41	-77.99
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C3)C1	REAL300006427239	0	45	0.0	-84.33	335.35	8.77	-75.56
C[NH+]1CC23CCCC2(CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C3)C1	REAL300006427240	0	48	0.0	-92.09	342.34	8.54	-83.55
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)C3)C1	REAL300006427241	0	48	0.0	-92.51	357.42	9.57	-82.94
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C3)C1	REAL300006427242	0	55	0.0	-68.28	401.34	12.11	-56.17
C[NH+]1CC23CCCC2(CN(C(=O)C2=C(CC(=O)[O-])OC=C2)C3)C1	REAL300006427243	0	45	0.0	-94.82	335.77	7.82	-87.00
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427244	0	48	0.0	-63.89	362.51	8.66	-55.23
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC(C(=O)[O-])=CC=N2)C3)C1	REAL300006427245	0	44	0.0	-83.59	330.84	8.00	-75.59
C[NH+]1CC23CCCC2(CN(C(=O)C24CC(C(=O)[O-])(C2)C4)C3)C1	REAL300006427246	0	46	0.0	-69.07	339.47	8.61	-60.46
C[NH+]1CC23CCCC2(CN(C(=O)CC2CCC(C(=O)[O-])CC2)C3)C1	REAL300006427247	0	54	0.0	-80.76	375.46	9.88	-70.88
C[NH+]1CC23CCCC2(CN(C(=O)C24CCC(C(=O)[O-])(CC2)C4)C3)C1	REAL300006427248	0	52	0.0	-90.53	362.87	9.31	-81.22
C[NH+]1CC23CCCC2(CN(C(=O)C24CCC(C(=O)[O-])(CC2)CC4)C3)C1	REAL300006427249	0	55	0.0	-84.06	373.21	9.53	-74.53
C[NH+]1CC23CCCC2(CN(C(=O)CC(C)(C)CC(=O)[O-])C3)C1	REAL300006427250	0	50	0.0	-82.64	348.16	8.63	-74.01
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=NC4=C(C(=O)[O-])C=NN42)C3)C1	REAL300006427251	0	47	0.0	-100.40	365.16	7.95	-92.45
C[NH+]1CC23CCCC2(CN(C(=O)C2=C(CC(=O)[O-])C4=CC=CC=C4N2)C3)C1	REAL300006427252	0	52	0.0	-98.65	384.21	10.10	-88.55
C[NH+]1CC23CCCC2(CN(C(=O)C2=NOC(C(=O)[O-])=C2)C3)C1	REAL300006427253	0	41	0.0	-72.31	314.51	7.02	-65.29
C[NH+]1CC23CCCC2(CN(C(=O)C2(C(=O)[O-])CCCC2)C3)C1	REAL300006427254	0	48	0.0	-71.98	328.31	8.25	-63.73
C[NH+]1CC23CCCC2(CN(C(=O)CC2CCCC4=CC=C(C(=O)[O-])C=C42)C3)C1	REAL300006427255	0	58	0.0	-77.10	415.22	12.13	-64.97
CC1=C(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)C=C(C(=O)[O-])O1	REAL300006427256	0	45	0.0	-73.66	334.78	8.07	-65.59
CC1=C(C(=O)[O-])OC(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)=C1	REAL300006427257	0	45	0.0	-69.90	337.94	8.22	-61.68
C[NH+]1CC23CCCC2(CN(C(=O)CN2C=C(C(=O)[O-])C=N2)C3)C1	REAL300006427258	0	45	0.0	-93.25	345.74	7.32	-85.93
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)C3)C1	REAL300006427259	0	46	0.0	-70.50	353.14	8.86	-61.64
C[NH+]1CC23CCCC2(CN(C(=O)C2(C(=O)[O-])CC4(CCC4)C2)C3)C1	REAL300006427260	0	52	0.0	-65.53	356.18	9.33	-56.20
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C3)C1	REAL300006427261	0	49	0.0	-84.05	366.36	9.06	-74.99
C[NH+]1CC23CCCC2(CN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C3)C1	REAL300006427262	0	54	0.0	-93.56	404.27	9.73	-83.83
C[NH+]1CC23CCCC2(CN(C(=O)CCSCC(=O)[O-])C3)C1	REAL300006427263	0	45	0.0	-80.21	348.84	8.40	-71.81
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C3)C1	REAL300006427264	0	44	0.0	-71.85	330.64	7.97	-63.88
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427265	0	45	0.0	-78.37	333.87	6.59	-71.78
C[C@@H]1C[C@H](C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)O[C@H]1C(=O)[O-]	REAL300006427266	0	49	0.0	-82.93	357.41	8.58	-74.35
C[NH+]1CC23CCCC2(CN(C(=O)C(C)(C)CCC(=O)[O-])C3)C1	REAL300006427267	0	50	0.0	-88.62	345.85	8.24	-80.38
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)C3)C1	REAL300006427268	0	48	0.0	-82.83	357.51	9.55	-73.28
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C3)C1	REAL300006427269	0	49	0.0	-89.31	367.46	10.06	-79.25
C[NH+]1CC23CCCC2(CN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)C3)C1	REAL300006427270	0	46	0.0	-84.16	356.81	8.62	-75.54
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=CC=C2CCC(=O)[O-])C3)C1	REAL300006427271	0	51	0.0	-94.07	370.16	10.34	-83.73
C[NH+]1CC23CCCC2(CN(C(=O)COCC2=C(C(=O)[O-])N=CO2)C3)C1	REAL300006427272	0	48	0.0	-92.97	371.78	4.99	-87.98
C[NH+]1CC23CCCC2(CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C3)C1	REAL300006427273	0	46	0.0	-77.68	358.41	8.98	-68.70
C[NH+]1CC23CCCC2(CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C3)C1	REAL300006427274	0	48	0.0	-92.09	342.34	8.54	-83.55
CC1=CC=C(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)C=C1C(=O)[O-]	REAL300006427275	0	48	0.0	-95.55	349.33	9.34	-86.21
C[NH+]1CC23CCCC2(CN(C(=O)C2=CN=CC(C(=O)[O-])=C2)C3)C1	REAL300006427276	0	44	0.0	-66.60	328.21	7.02	-59.58
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427277	0	47	0.0	-69.32	350.19	7.68	-61.64
C[NH+]1CC23CCCC2(CN(C(=O)CN2C=CC(C(=O)[O-])=N2)C3)C1	REAL300006427278	0	45	0.0	-107.51	345.07	7.34	-100.17
C[NH+]1CC23CCCC2(CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C3)C1	REAL300006427279	0	51	0.0	-105.14	388.69	8.74	-96.40
C[NH+]1CC23CCCC2(CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C3)C1	REAL300006427280	0	52	0.0	-85.31	376.57	9.05	-76.26
C[NH+]1CC23CCCC2(CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C3)C1	REAL300006427281	0	52	0.0	-74.55	381.60	8.02	-66.53
CC1=C(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)OC(C(=O)[O-])=C1	REAL300006427282	0	45	0.0	-72.07	339.90	8.32	-63.75
C[NH+]1CC23CCCC2(CN(C(=O)[C@@H]2C4C=CC(CC4)[C@@H]2C(=O)[O-])C3)C1	REAL300006427283	0	53	0.0	-73.90	368.45	10.28	-63.62
C[NH+]1CC23CCCC2(CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C3)C1	REAL300006427284	0	51	0.0	-68.54	349.70	9.29	-59.25
C[NH+]1CC23CCCC2(CN(C(=O)CN2CCCC(C(=O)[O-])C2)C3)C1	REAL300006427285	1	53	0.0	-80.41	378.09	7.25	-73.16
C[NH+]1CC23CCCC2(CN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C3)C1	REAL300006427286	0	52	0.0	-85.48	379.69	10.54	-74.94
C[NH+]1CC23CCCC2(CN(C(=O)C2=C(CC(=O)[O-])C4=CC=CC=C4N2)C3)C1	REAL300006427287	0	52	0.0	-98.65	384.21	10.10	-88.55
C[NH+]1CC23CCCC2(CN(C(=O)CN2C=C(C(=O)[O-])C4=CC=CC=C42)C3)C1	REAL300006427288	0	52	0.0	-104.99	397.02	11.30	-93.69
C[NH+]1CC23CCCC2(CN(C(=O)C2CC4(CC4C(=O)[O-])C2)C3)C1	REAL300006427289	0	49	0.0	-93.37	362.31	9.61	-83.76
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427290	0	51	0.0	-84.64	366.30	10.42	-74.22
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427291	0	48	0.0	-75.52	353.27	9.49	-66.03
C[NH+]1CC23CCCC2(CN(C(=O)C2CC(C)(C(=O)[O-])C2)C3)C1	REAL300006427292	0	48	0.0	-85.93	347.68	8.67	-77.26
C[NH+]1CC23CCCC2(CN(C(=O)C2=C(C(=O)[O-])SC=C2)C3)C1	REAL300006427293	0	42	0.0	-95.33	322.78	8.83	-86.50
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC(C(=O)[O-])=NN2)C3)C1	REAL300006427294	0	42	0.0	-87.95	315.81	5.68	-82.27
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427295	0	47	0.0	-82.28	343.66	7.61	-74.67
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427296	0	48	0.0	-82.87	354.94	9.47	-73.40
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C3)C1	REAL300006427297	0	45	0.0	-80.69	348.76	9.33	-71.36
C[NH+]1CC23CCCC2(CN(C(=O)C2CC4(CC(C(=O)[O-])C4)C2)C3)C1	REAL300006427298	0	52	0.0	-77.61	377.23	10.07	-67.54
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)=C1	REAL300006427299	0	48	0.0	-65.80	363.17	7.27	-58.53
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427300	0	46	0.0	-83.96	334.08	8.11	-75.85
C[NH+]1CC23CCCC2(CN(C(=O)C2(C(=O)[O-])CC=CC2)C3)C1	REAL300006427301	0	46	0.0	-67.82	327.26	8.24	-59.58
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C3)C1	REAL300006427302	0	51	0.0	-83.87	378.91	10.36	-73.51
CC1=NNC(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)=C1C(=O)[O-]	REAL300006427303	0	45	0.0	-71.50	341.44	5.87	-65.63
CC1=C(C(=O)[O-])C(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)=NN1	REAL300006427303	1	45	0.0	-94.15	333.59	7.41	-86.74
C[NH+]1CC23CCCC2(CN(C(=O)CC2(CC(=O)[O-])CC2)C3)C1	REAL300006427304	0	48	0.0	-75.40	351.76	8.95	-66.45
C[NH+]1CC23CCCC2(CN(C(=O)C2CC4(C2)C(C(=O)[O-])C4(F)F)C3)C1	REAL300006427305	0	49	0.0	-95.49	370.07	9.70	-85.79
C[NH+]1CC23CCCC2(CN(C(=O)C2=CSC(C(=O)[O-])=N2)C3)C1	REAL300006427306	0	41	0.0	-65.08	323.07	6.83	-58.25
CC1=C(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)C=C(C(=O)[O-])S1	REAL300006427307	0	45	0.0	-69.67	343.43	8.68	-60.99
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC4=C(SC(C(=O)[O-])=C4)S2)C3)C1	REAL300006427308	0	45	0.0	-86.87	361.35	9.35	-77.52
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)=C1	REAL300006427309	0	49	0.0	-87.19	373.96	8.50	-78.69
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427310	0	48	0.0	-76.21	360.72	9.43	-66.78
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC4=C(C(=O)[O-])C=CC=C4S2)C3)C1	REAL300006427311	0	48	0.0	-98.86	366.71	10.04	-88.82
C[NH+]1CC23CCCC2(CN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C3)C1	REAL300006427312	0	50	0.0	-89.21	370.27	8.72	-80.49
C[NH+]1CC23CCCC2(CN(C(=O)C24CC(C(=O)[O-])(C2)CO4)C3)C1	REAL300006427313	0	47	0.0	-64.22	345.51	7.05	-57.17
C[NH+]1CC23CCCC2(CN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C3)C1	REAL300006427314	0	49	0.0	-84.64	370.15	10.41	-74.23
C[NH+]1CC23CCCC2(CN(C(=O)C2(C(=O)[O-])CC4(CCC4)C2)C3)C1	REAL300006427315	0	52	0.0	-65.53	356.18	9.33	-56.20
CN1N=CC(C(=O)[O-])=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427316	0	45	0.0	-90.00	343.00	6.61	-83.39
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC4=C(N2)C(C(=O)[O-])=CS4)C3)C1	REAL300006427317	0	46	0.0	-70.59	357.11	8.39	-62.20
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC4=C(C=C(C(=O)[O-])S4)N2)C3)C1	REAL300006427318	0	46	0.0	-82.37	357.62	8.53	-73.84
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC4=C(N2)C(C(=O)[O-])=CO4)C3)C1	REAL300006427319	0	46	0.0	-72.29	348.45	7.53	-64.76
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427320	0	48	0.0	-90.35	347.33	9.36	-80.99
C[NH+]1CC23CCCC2(CN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C3)C1	REAL300006427321	0	48	0.0	-86.93	368.10	8.59	-78.34
C=C1CCC1(C(=O)[O-])C(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427322	0	46	0.0	-70.77	332.33	8.16	-62.61
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC(C(=O)[O-])=CS2)C3)C1	REAL300006427323	0	42	0.0	-92.66	325.21	7.82	-84.84
C[NH+]1CC23CCCC2(CN(C(=O)[C@@H]2[C@H]4CC[C@H](O4)[C@@H]2C(=O)[O-])C3)C1	REAL300006427324	0	50	0.0	-84.55	355.42	7.60	-76.95
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=CC4=C(C(=O)[O-])C=CC=C24)C3)C1	REAL300006427325	0	51	0.0	-87.58	372.60	10.92	-76.66
CC(C)[C@]1(C(=O)N2CC34CCCC3(C2)C[NH+](C)C4)C[C@H]1C(=O)[O-]	REAL300006427326	0	51	0.0	-63.63	355.82	9.04	-54.59
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC23CCCC2(C1)C[NH+](C)C3	REAL300006427327	0	51	0.0	-96.40	380.36	10.35	-86.05
C[NH+]1CC23CCCC2(CN(C(=O)CC2=CC(C(=O)[O-])=CS2)C3)C1	REAL300006427328	0	45	0.0	-90.93	355.21	9.02	-81.91
C[NH+]1CC23CCCC2(CN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C3)C1	REAL300006427329	0	48	0.0	-97.00	368.21	9.91	-87.09
C[NH+]1CC23CCCC2(CN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C3)C1	REAL300006427330	0	48	0.0	-43.88	339.45	8.89	-34.99
C[NH+]1CC23CCCC2(CN(C(=O)C2=C4CCCCC4=C(C(=O)[O-])S2)C3)C1	REAL300006427331	0	52	0.0	-76.57	380.90	10.34	-66.23
C[NH+]1CC23CCCC2(CN(C(=O)C24CCC(C(=O)[O-])(CC2)CC4)C3)C1	REAL300006427332	0	55	0.0	-84.06	373.21	9.53	-74.53
COC1=CC(Br)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006427530	0	44	0.0	-47.86	360.24	7.36	-40.50
COC1=CC(Br)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006427530	1	44	0.0	-48.67	366.44	7.39	-41.28
CC1CC2(CCCC2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006427656	0	50	0.0	-44.96	360.10	9.71	-35.25
CC1CC2(CCCC2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006427656	1	50	0.0	-45.16	352.55	9.67	-35.49
CC12CCCC1N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CCC2	REAL300006427744	0	50	0.0	-46.35	339.16	10.18	-36.17
CC12CCCC1N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CCC2	REAL300006427744	1	50	0.0	-46.33	346.64	10.14	-36.19
O=C([O-])C1CCC[N@H+](CC(=O)NCCN(CC(F)(F)F)C2CC2)C1	REAL300006427874	0	48	0.0	-46.77	365.88	5.54	-41.23
O=C([O-])C1CCC[N@@H+](CC(=O)NCCN(CC(F)(F)F)C2CC2)C1	REAL300006427874	1	48	0.0	-48.73	367.42	5.91	-42.82
CC(C)N(CC1=CN=CN1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006428006	0	49	0.0	-46.96	350.55	9.29	-37.67
CC(C)N(CC1=CN=CN1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006428006	1	49	0.0	-47.35	351.34	9.18	-38.17
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006429086	0	49	0.0	-83.74	373.29	11.42	-72.32
CC1=[NH+]C=C2CCC(C(=O)N3C4C=CC(C4)C3C(=O)[O-])CN12	REAL300006430337	1	41	0.0	-67.79	321.19	8.98	-58.81
CC1=NC(C[NH+]2CCC(C(=O)N3C4C=CC(C4)C3C(=O)[O-])CC2)=CS1	REAL300006430388	1	48	0.0	-83.70	380.64	9.16	-74.54
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C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])=C1	REAL300006430448	1	52	0.0	-60.46	402.99	13.02	-47.44
C[NH+](C)CC1(C(=O)N2C3C=CC(C3)C2C(=O)[O-])CCCCC1	REAL300006430512	0	48	0.0	-43.88	306.41	8.99	-34.89
C[N@H+](CCC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1CCCCC1	REAL300006430514	0	48	0.0	-44.22	348.14	9.92	-34.30
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CC[N@H+](CC1=CC=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1)C(C)C	REAL300006430613	0	51	0.0	-54.04	374.06	10.88	-43.16
CC[N@@H+](CC1=CC=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1)C(C)C	REAL300006430613	1	51	0.0	-59.96	365.72	10.73	-49.23
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006430629	0	46	0.0	-47.30	351.10	10.59	-36.71
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006430629	1	46	0.0	-47.90	350.69	10.50	-37.40
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CC(C(=O)N1C2C=CC(C2)C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006430657	0	45	0.0	-67.62	345.96	10.64	-56.98
CC(C(=O)N1C2C=CC(C2)C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006430657	1	45	0.0	-32.35	343.10	10.22	-22.13
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O=C([O-])C1C2C=CC(C2)N1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006430665	1	52	0.0	-78.57	395.59	12.36	-66.21
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CCC[NH+](CCC)CCCC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300006430689	0	50	0.0	-50.65	367.71	10.20	-40.45
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006430707	0	46	0.0	-60.74	349.41	10.45	-50.29
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006430712	0	49	0.0	-57.03	367.89	11.28	-45.75
CCN1CCC([NH+]2CCC(C(=O)N3C4C=CC(C4)C3C(=O)[O-])CC2)CC1	REAL300006430718	0	57	0.0	-81.67	407.37	9.18	-72.49
CC1C[NH+](CC2=CC=C(C(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC(C)O1	REAL300006430724	1	53	0.0	-62.24	401.19	10.31	-51.93
O=C([O-])C1C2C=CC(C2)N1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006430734	1	50	0.0	-51.95	373.32	10.33	-41.62
O=C([O-])C1C2C=CC(C2)N1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006430734	1	50	0.0	-51.64	377.91	10.82	-40.82
CC1=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006430749	1	40	0.0	-69.72	324.77	7.75	-61.97
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006430752	0	49	0.0	-60.57	365.87	11.11	-49.46
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006430762	1	42	0.0	-65.87	332.27	8.78	-57.09
C[NH+](C)CCC1=CC=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300006430763	0	45	0.0	-68.09	348.80	10.27	-57.82
O=C([O-])C1C2C=CC(C2)N1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006430767	1	47	0.0	-83.20	355.05	9.95	-73.25
O=C([O-])C1C2C=CC(C2)N1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006430767	1	47	0.0	-78.38	363.62	10.22	-68.16
CC(C(=O)N1C2C=CC(C2)C1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006430777	0	55	0.0	-68.36	409.39	12.85	-55.51
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300006430804	0	45	0.0	-41.14	348.85	10.72	-30.42
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300006430804	1	45	0.0	-39.37	349.32	10.72	-28.65
COCCOCC[N@H+](C)CCC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300006430805	0	49	0.0	-46.00	377.75	6.91	-39.09
COCCOCC[N@@H+](C)CCC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300006430805	1	49	0.0	-43.94	377.81	6.90	-37.04
O=C([O-])C1C2C=CC(C2)N1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006430811	0	54	0.0	-53.29	403.93	10.42	-42.87
CC(C)[NH+]1CCN(CCC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300006430842	0	50	0.0	-56.62	359.77	7.19	-49.43
CC(C)N1CC[NH+](CCC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300006430842	1	50	0.0	-43.68	361.58	7.31	-36.37
CC(C)[NH+]1CCN(CCCC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300006430843	0	53	0.0	-58.76	386.47	8.26	-50.50
CC(C)N1CC[NH+](CCCC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300006430843	1	53	0.0	-49.08	383.29	8.09	-40.99
C[NH+](C)CCN1C=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C=N1	REAL300006430845	0	42	0.0	-58.41	326.95	7.33	-51.08
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C4C=CC(C4)C3C(=O)[O-])CC2)=C1	REAL300006430848	0	54	0.0	-46.94	403.94	10.34	-36.60
O=C([O-])C1C2C=CC(C2)N1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006430850	0	51	0.0	-44.93	382.43	9.61	-35.32
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006430853	0	48	0.0	-73.10	369.14	9.72	-63.38
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006430853	1	48	0.0	-37.98	353.09	9.62	-28.36
CC(C(=O)N1C2C=CC(C2)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006430857	1	46	0.0	-66.14	349.29	10.74	-55.40
CC(C(=O)N1C2C=CC(C2)C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006430857	1	46	0.0	-65.63	349.69	10.86	-54.77
O=C([O-])C1C2C=CC(C2)N1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006430876	0	49	0.0	-50.33	371.19	11.36	-38.97
O=C([O-])C1C2C=CC(C2)N1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006430876	1	49	0.0	-51.39	375.56	11.51	-39.88
C[NH+](C)CCN1C=CC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300006430887	0	42	0.0	-58.45	325.98	8.01	-50.44
C[NH+](C)CCN1N=CC=C1C(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300006430888	0	42	0.0	-58.71	323.86	7.36	-51.35
CCC1=[NH+]C=CN1C(C)CC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300006430889	1	43	0.0	-43.84	335.58	9.48	-34.36
C[N@@H+]1CCCC1C1=CC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])=NN1	REAL300006430892	1	43	0.0	-65.74	332.25	7.62	-58.12
C[N@H+]1CCCC1C1=CC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])=NN1	REAL300006430892	1	43	0.0	-66.17	333.77	7.70	-58.47
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006430899	0	49	0.0	-73.15	380.63	11.55	-61.60
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006430899	1	49	0.0	-67.10	368.10	12.02	-55.08
O=C([O-])C1C2C=CC(C2)N1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006430902	0	50	0.0	-43.70	379.65	8.98	-34.72
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006430935	0	49	0.0	-46.19	352.34	10.04	-36.15
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006430935	1	49	0.0	-73.85	355.85	10.27	-63.58
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C4C=CC(C4)C3C(=O)[O-])=C2)CC1	REAL300006430959	0	51	0.0	-62.78	383.62	8.69	-54.09
C[NH+]1CCN(CC2=CC=C(C(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC1	REAL300006430960	0	51	0.0	-67.88	384.92	8.85	-59.03
CN1CC[NH+](CC2=CC=C(C(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC1	REAL300006430960	1	51	0.0	-60.76	382.70	8.61	-52.15
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300006430961	0	52	0.0	-64.14	391.26	10.57	-53.57
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006431026	0	53	0.0	-61.59	397.89	8.47	-53.12
C[NH+](C)CC1=CC=CC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])=C1	REAL300006431030	0	42	0.0	-55.99	325.05	9.26	-46.73
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006431031	0	49	0.0	-76.39	372.21	12.08	-64.31
O=C([O-])C1C2C=CC(C2)N1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006431031	1	49	0.0	-43.15	372.20	11.38	-31.77
CC[NH+]1CCN(CCC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300006431072	0	47	0.0	-55.31	348.78	6.98	-48.33
CCN1CC[NH+](CCC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300006431072	1	47	0.0	-43.92	348.33	6.99	-36.93
CC(C)C1=[NH+]C=CN1CCC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300006431078	1	43	0.0	-43.26	335.08	9.44	-33.82
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C4C=CC(C4)C3C(=O)[O-])=CC=C1N2	REAL300006431120	1	47	0.0	-70.25	361.33	9.77	-60.48
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C4C=CC(C4)C3C(=O)[O-])=CC=C1N2	REAL300006431120	1	47	0.0	-73.83	362.38	9.79	-64.04
CC[NH+](CC)CC1=CC=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])O1	REAL300006431160	0	45	0.0	-47.15	343.52	9.43	-37.72
CC1=CC=C(N2CCC(C(=O)N3C4C=CC(C4)C3C(=O)[O-])CC2)[NH+]=C1	REAL300006431161	1	48	0.0	-79.91	365.93	9.43	-70.48
C[N@H+](CC(=O)N1C2C=CC(C2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300006431162	1	42	0.0	-37.40	326.37	9.88	-27.52
C[N@@H+](CC(=O)N1C2C=CC(C2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300006431162	1	42	0.0	-36.77	326.89	9.88	-26.89
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC1	REAL300006431165	0	54	0.0	-93.52	395.42	9.79	-83.73
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006431173	1	37	0.0	-69.21	303.21	7.22	-61.99
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300006431197	0	49	0.0	-50.11	370.56	11.12	-38.99
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300006431197	1	49	0.0	-48.45	371.77	11.12	-37.33
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300006431214	0	50	0.0	-70.17	393.00	10.77	-59.40
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006431228	0	46	0.0	-48.93	352.13	10.20	-38.73
C[N@@H+]1CC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006431505	0	39	0.0	-58.74	309.33	7.79	-50.95
C[N@H+]1CC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006431505	1	39	0.0	-83.85	316.06	8.04	-75.81
C[NH+](C)CCC1=CC=CC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])=C1	REAL300006431825	0	45	0.0	-64.51	348.60	10.21	-54.30
C[NH+](C)CCOC1=CC=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300006431829	0	46	0.0	-62.63	355.14	9.09	-53.54
O=C([O-])C1C2C=CC(C2)N1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006431893	0	52	0.0	-58.65	389.43	12.27	-46.38
CC1C[N@H+](CC2=CC=C(C(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CCO1	REAL300006431895	1	50	0.0	-62.24	378.75	9.50	-52.74
CC1C[N@@H+](CC2=CC=C(C(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CCO1	REAL300006431895	1	50	0.0	-65.90	381.03	9.51	-56.39
CC(C)C[N@@H+]1CCCC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300006431951	0	48	0.0	-66.02	342.58	9.96	-56.06
CC(C)C[N@H+]1CCCC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300006431951	1	48	0.0	-37.32	348.47	9.72	-27.60
O=C([O-])C1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1	REAL300006431960	0	44	0.0	-72.68	357.66	9.89	-62.79
O=C([O-])COC1=CC=CC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1	REAL300006431961	0	48	0.0	-81.36	388.74	10.16	-71.20
O=C([O-])C1=CC=CC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1	REAL300006431962	0	44	0.0	-83.82	357.67	9.89	-73.93
O=C([O-])C1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)S1	REAL300006431963	1	41	0.0	-62.01	346.44	8.04	-53.97
O=C([O-])C1=CC=CC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=N1	REAL300006431964	0	43	0.0	-49.81	350.28	7.15	-42.66
O=C([O-])C1=CC=C(CCC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1	REAL300006431965	0	50	0.0	-77.82	398.26	10.39	-67.43
O=C([O-])C1=CC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=CC=N1	REAL300006431966	0	43	0.0	-86.45	353.75	8.13	-78.32
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006431967	0	48	0.0	-78.22	393.35	11.07	-67.15
O=C([O-])C1=CC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=CC([N+](=O)[O-])=C1	REAL300006431968	0	46	0.0	-56.03	386.91	10.48	-45.55
O=C([O-])C1=CC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=CC([N+](=O)[O-])=C1	REAL300006431969	0	46	0.0	-56.03	386.91	10.48	-45.55
O=C([O-])C1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)O1	REAL300006431970	0	41	0.0	-54.47	338.59	7.27	-47.20
O=C([O-])C1=CC=CC=C1CCC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006431971	0	50	0.0	-66.32	395.62	11.16	-55.16
O=C([O-])C1=CC(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=CC=C1	REAL300006431972	0	47	0.0	-79.94	383.41	10.48	-69.46
O=C([O-])C1(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC1	REAL300006431973	0	41	0.0	-39.95	329.85	8.38	-31.57
O=C([O-])C1(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC1	REAL300006431974	0	41	0.0	-39.95	329.85	8.38	-31.57
O=C([O-])C1CCCC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300006431975	0	50	0.0	-81.06	378.31	9.13	-71.93
O=C([O-])C1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=N1	REAL300006431976	0	43	0.0	-71.97	348.07	7.11	-64.86
O=C([O-])C1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)N=C1	REAL300006431977	0	43	0.0	-59.71	355.02	8.15	-51.56
CC(C)(CC(=O)[O-])CC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006431978	0	49	0.0	-71.50	367.99	9.30	-62.20
O=C([O-])C1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C(F)=C1	REAL300006431979	0	44	0.0	-74.25	356.67	8.96	-65.29
O=C([O-])C1=CN=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=N1	REAL300006431980	0	42	0.0	-62.66	345.14	5.29	-57.37
O=C([O-])[C@H]1CC[C@H](C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC1	REAL300006431981	0	50	0.0	-72.58	388.61	9.49	-63.09
O=C([O-])C1CCC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC1	REAL300006431982	0	50	0.0	-72.74	383.78	10.13	-62.61
O=C([O-])C1=CC=C(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1	REAL300006431983	0	47	0.0	-87.01	382.32	10.57	-76.44
O=C([O-])C1=CN(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)N=N1	REAL300006431984	0	43	0.0	-87.43	360.56	6.47	-80.96
CC1=NC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=CC=C1C(=O)[O-]	REAL300006431985	0	46	0.0	-59.91	365.75	7.63	-52.28
O=C([O-])C1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1	REAL300006431986	0	44	0.0	-72.68	357.66	9.89	-62.79
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300006431987	0	47	0.0	-76.47	370.32	8.85	-67.62
O=C([O-])CC1=CC=CC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1	REAL300006431988	0	47	0.0	-76.94	379.85	10.65	-66.29
O=C([O-])CC1=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=CO1	REAL300006431989	0	44	0.0	-72.44	354.59	7.80	-64.64
CC1=COC(CC(=O)[O-])=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006431990	0	47	0.0	-52.44	388.31	9.43	-43.01
O=C([O-])C1=CC=NC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1	REAL300006431991	0	43	0.0	-68.57	356.39	8.18	-60.39
O=C([O-])C12CC(C(=O)NCC(C3=CSC=C3)[NH+]3CCCC3)(C1)C2	REAL300006431992	0	45	0.0	-69.66	362.25	9.44	-60.22
O=C([O-])C1(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCC1	REAL300006431993	0	44	0.0	-42.62	343.13	8.55	-34.07
CC(C)(C(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006431994	0	43	0.0	-72.39	336.29	9.06	-63.33
O=C([O-])C1CCC(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC1	REAL300006431995	0	53	0.0	-80.12	403.53	10.75	-69.37
O=C([O-])C12CCC(C(=O)NCC(C3=CSC=C3)[NH+]3CCCC3)(CC1)C2	REAL300006431996	0	51	0.0	-82.93	386.16	9.27	-73.66
O=C([O-])C12CCC(C(=O)NCC(C3=CSC=C3)[NH+]3CCCC3)(CC1)CC2	REAL300006431997	0	54	0.0	-75.35	401.56	10.68	-64.67
CC(C)(CC(=O)[O-])CC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006431998	0	49	0.0	-71.50	367.99	9.30	-62.20
O=C([O-])CCCC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006431999	0	43	0.0	-74.08	345.63	8.47	-65.61
CC(CC(=O)[O-])CC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432000	0	46	0.0	-73.00	358.24	8.92	-64.08
O=C([O-])C1=C2N=CC=C(C(=O)NCC(C3=CSC=C3)[NH+]3CCCC3)N2N=C1	REAL300006432001	0	46	0.0	-66.98	374.02	8.19	-58.79
O=C([O-])CC1=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)NC2=CC=CC=C21	REAL300006432002	0	51	0.0	-79.24	404.30	9.59	-69.65
O=C([O-])C1=CC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=NO1	REAL300006432003	0	40	0.0	-57.93	339.66	7.45	-50.48
O=C([O-])C1(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCCC1	REAL300006432004	0	47	0.0	-50.01	356.30	8.55	-41.46
CC1=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C(C(=O)[O-])O1	REAL300006432005	0	44	0.0	-61.27	362.10	9.04	-52.23
CC1=C(C(=O)[O-])OC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1	REAL300006432006	0	44	0.0	-55.26	361.97	8.87	-46.39
O=C([O-])C1=CN(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)N=C1	REAL300006432007	0	44	0.0	-82.51	365.49	7.96	-74.55
O=C([O-])C=CC1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)O1	REAL300006432008	0	45	0.0	-59.96	371.72	8.46	-51.50
O=C([O-])C1(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC2(CCC2)C1	REAL300006432009	0	51	0.0	-42.03	392.51	10.60	-31.43
O=C([O-])COC1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1	REAL300006432010	0	48	0.0	-73.58	388.67	10.18	-63.40
O=C([O-])CSCCC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432011	0	44	0.0	-69.98	368.66	9.06	-60.92
O=C([O-])C1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)N=C1	REAL300006432012	0	43	0.0	-59.71	355.02	8.15	-51.56
O=C([O-])COCC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432013	0	41	0.0	-75.76	337.76	7.72	-68.04
CN1N=C(C(=O)[O-])C=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432014	0	44	0.0	-81.80	354.07	7.54	-74.26
C[C@@H]1C[C@H](C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)O[C@H]1C(=O)[O-]	REAL300006432015	0	48	0.0	-79.53	381.07	9.39	-70.14
CC(C)(CCC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432016	0	49	0.0	-76.88	374.50	9.35	-67.53
O=C([O-])CC1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1	REAL300006432017	0	47	0.0	-69.99	379.84	10.66	-59.33
O=C([O-])C=CC1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1	REAL300006432018	0	48	0.0	-75.42	389.74	11.17	-64.25
O=C(C=CC1=CC(C(=O)[O-])=CO1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432019	0	45	0.0	-73.61	377.81	9.25	-64.36
O=C([O-])CCC1=CC=CC=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432020	0	50	0.0	-79.38	387.35	10.39	-68.99
O=C([O-])C1=C(COCC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)OC=N1	REAL300006432021	0	47	0.0	-82.25	391.60	5.61	-76.64
O=C(C=CC1=CC=C(C(=O)[O-])O1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432022	0	45	0.0	-66.55	379.35	9.62	-56.93
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300006432023	0	47	0.0	-76.47	370.32	8.85	-67.62
CC1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1C(=O)[O-]	REAL300006432024	0	47	0.0	-82.66	374.05	10.52	-72.14
O=C([O-])C1=CN=CC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1	REAL300006432025	0	43	0.0	-74.93	352.82	8.10	-66.83
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432026	0	46	0.0	-54.98	369.19	8.77	-46.21
O=C([O-])C1=NN(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1	REAL300006432027	0	44	0.0	-94.70	364.82	7.98	-86.72
O=C([O-])C1=NN(CCCC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1	REAL300006432028	0	50	0.0	-94.62	401.87	8.43	-86.19
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432029	0	44	0.0	-56.22	334.86	7.43	-48.79
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)O1	REAL300006432030	0	51	0.0	-79.03	406.15	9.15	-69.88
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432031	0	51	0.0	-74.21	401.53	8.60	-65.61
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432032	0	44	0.0	-56.22	334.86	7.43	-48.79
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432033	0	41	0.0	-65.41	330.44	8.26	-57.15
CC1=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)OC(C(=O)[O-])=C1	REAL300006432034	0	44	0.0	-54.48	356.40	7.95	-46.53
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432035	0	52	0.0	-59.39	389.42	10.92	-48.47
CCC(C(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432036	0	43	0.0	-43.83	343.37	8.31	-35.52
CC(C)C(C(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432037	0	46	0.0	-45.38	349.42	8.63	-36.75
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432038	0	50	0.0	-67.40	372.19	10.57	-56.83
O=C([O-])C1CCCN(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300006432039	1	52	0.0	-69.32	397.92	7.86	-61.46
O=C([O-])[C@@H]1C[C@H]1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432040	0	41	0.0	-64.89	335.14	8.41	-56.48
O=C([O-])C1(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC1C1=CC=CC=C1	REAL300006432041	0	51	0.0	-36.79	394.59	11.40	-25.39
O=C([O-])CC1=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)NC2=CC=CC=C21	REAL300006432042	0	51	0.0	-79.24	404.30	9.59	-69.65
O=C([O-])C1=CN(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C2=CC=CC=C12	REAL300006432043	0	51	0.0	-93.41	416.85	12.00	-81.41
O=C([O-])C1CC12CC(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C2	REAL300006432044	0	48	0.0	-74.02	379.82	10.12	-63.90
O=C([O-])[C@H]1C[C@@H](C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300006432045	0	44	0.0	-72.10	350.61	8.86	-63.24
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432046	0	50	0.0	-77.69	382.92	10.00	-67.69
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432047	0	47	0.0	-55.21	374.90	10.58	-44.63
CC1(C(=O)[O-])CC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300006432048	0	47	0.0	-59.93	367.99	9.28	-50.65
O=C([O-])C1=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=CS1	REAL300006432049	0	41	0.0	-69.74	342.27	8.64	-61.10
O=C([O-])C1=NNC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1	REAL300006432050	0	41	0.0	-76.82	341.48	6.32	-70.50
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432051	0	46	0.0	-73.00	363.12	8.67	-64.33
CCCC(C(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432052	0	46	0.0	-45.61	365.40	9.04	-36.57
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432053	0	47	0.0	-73.11	368.65	9.63	-63.48
O=C([O-])C1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C(Cl)=C1	REAL300006432054	0	44	0.0	-72.53	364.64	9.39	-63.14
O=C([O-])C1CC2(C1)CC(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C2	REAL300006432055	0	51	0.0	-74.88	403.42	10.09	-64.79
COC1=CC(C(=O)[O-])=NC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1	REAL300006432056	0	47	0.0	-49.89	385.46	7.49	-42.40
CN1C(C(=O)[O-])=CC=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432057	0	45	0.0	-72.93	355.29	8.13	-64.80
O=C([O-])C1(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC=CC1	REAL300006432058	0	45	0.0	-44.53	350.75	9.17	-35.36
O=C([O-])CCC1=CC=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1	REAL300006432059	0	50	0.0	-73.05	401.24	11.47	-61.58
CC1=NNC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1C(=O)[O-]	REAL300006432060	0	44	0.0	-73.08	353.14	7.72	-65.36
O=C([O-])CC1(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC1	REAL300006432061	0	47	0.0	-58.37	371.29	9.65	-48.72
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C2	REAL300006432062	0	48	0.0	-73.22	392.82	10.29	-62.93
O=C([O-])C1=NC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=CS1	REAL300006432063	0	40	0.0	-49.08	341.82	6.03	-43.05
COC(C(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432064	0	41	0.0	-51.43	334.19	7.61	-43.82
C[C@]1(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C[C@H]1C(=O)[O-]	REAL300006432065	0	44	0.0	-72.45	359.41	8.13	-64.32
CC1=C(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C(C(=O)[O-])S1	REAL300006432066	0	44	0.0	-56.98	368.04	9.74	-47.24
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432067	0	47	0.0	-63.34	385.76	10.30	-53.04
O=C([O-])C1=NC=CC=C1CCC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432068	0	49	0.0	-72.71	392.40	9.27	-63.44
O=C([O-])C12CC(C(=O)NCC(C3=CSC=C3)[NH+]3CCCC3)(C1)OC2	REAL300006432069	0	46	0.0	-63.70	361.96	6.46	-57.24
O=C(/C=C/C1=CC=C(C(=O)[O-])C=C1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432070	0	48	0.0	-78.15	386.67	10.07	-68.08
CC1CC1(C(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432071	0	44	0.0	-38.82	346.36	8.96	-29.86
O=C([O-])C1(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC2(CCC2)C1	REAL300006432072	0	51	0.0	-42.03	392.51	10.60	-31.43
CN1N=CC(C(=O)[O-])=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432073	0	44	0.0	-78.18	348.25	8.43	-69.75
O=C([O-])C1=CSC2=C1NC(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)=C2	REAL300006432074	0	45	0.0	-58.65	383.95	8.81	-49.84
O=C([O-])C1=CC2=C(C=C(C(=O)NCC(C3=CSC=C3)[NH+]3CCCC3)N2)S1	REAL300006432075	0	45	0.0	-74.90	377.51	8.03	-66.87
O=C([O-])C1=COC2=C1NC(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)=C2	REAL300006432076	0	45	0.0	-60.72	368.68	7.04	-53.68
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432077	0	47	0.0	-80.32	368.98	10.47	-69.85
O=C(C=CC1=CC=C(C(=O)[O-])N=C1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432078	0	47	0.0	-78.87	382.50	8.31	-70.56
C=C1CCC1(C(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432079	0	45	0.0	-50.20	352.18	9.01	-41.19
O=C([O-])C1=CSC(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1	REAL300006432080	1	41	0.0	-76.56	350.83	8.90	-67.66
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432081	0	49	0.0	-65.91	382.17	7.86	-58.05
O=C([O-])C1=CC=CC2=C(C(=O)NCC(C3=CSC=C3)[NH+]3CCCC3)C=CC=C12	REAL300006432082	0	50	0.0	-80.98	394.86	11.99	-68.99
CC(C)[C@]1(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C[C@H]1C(=O)[O-]	REAL300006432083	0	50	0.0	-70.18	376.13	11.33	-58.85
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432084	0	50	0.0	-88.70	400.12	10.96	-77.74
O=C([O-])C1=CSC(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=C1	REAL300006432085	0	44	0.0	-80.44	374.96	9.63	-70.81
O=C([O-])C1=CC=C(CC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C=C1F	REAL300006432086	0	47	0.0	-89.68	387.95	10.52	-79.16
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300006432087	0	47	0.0	-63.72	358.82	8.42	-55.30
O=C([O-])C12CCC(C(=O)NCC(C3=CSC=C3)[NH+]3CCCC3)(CC1)CC2	REAL300006432088	0	54	0.0	-75.35	401.56	10.68	-64.67
COC1=C(F)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006432123	1	41	0.0	-51.02	328.95	6.89	-44.13
COC1=C(F)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006432123	1	41	0.0	-49.19	323.45	6.92	-42.27
C[C@H](O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006432228	0	44	0.0	-50.87	340.94	5.56	-45.31
C[C@H](O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006432228	1	44	0.0	-50.73	335.20	5.60	-45.13
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300006432331	0	50	0.0	-49.10	364.30	10.83	-38.27
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300006432331	1	50	0.0	-47.89	364.24	10.98	-36.91
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CNC3=CC=CC(F)=C23)C1	REAL300006432433	0	41	0.0	-46.77	321.09	7.45	-39.32
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CNC3=CC=CC(F)=C23)C1	REAL300006432433	1	41	0.0	-48.98	326.58	7.42	-41.56
CC1=NN(C2=CC=CC=C2)N=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006432581	0	49	0.0	-52.64	391.74	7.72	-44.92
CC1=NN(C2=CC=CC=C2)N=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006432581	1	49	0.0	-53.33	391.63	7.73	-45.60
CC1(C)CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300006433692	0	53	0.0	-83.41	386.26	11.41	-72.00
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C)(C)C3C(=O)[O-])CN12	REAL300006434980	1	45	0.0	-69.29	333.56	8.91	-60.38
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C)(C)C3C(=O)[O-])CC2)=CS1	REAL300006435032	1	52	0.0	-78.95	391.96	9.69	-69.26
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300006435094	0	56	0.0	-87.20	426.10	11.17	-76.03
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C)(C)C2C(=O)[O-])=C1	REAL300006435100	0	56	0.0	-84.82	421.44	13.01	-71.81
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C)(C)C2C(=O)[O-])=C1	REAL300006435100	1	56	0.0	-83.34	421.43	13.02	-70.32
C[NH+](C)CC1(C(=O)N2CCC(C)(C)C2C(=O)[O-])CCCCC1	REAL300006435168	0	52	0.0	-63.23	336.22	9.36	-53.87
C[N@H+](CCC(=O)N1CCC(C)(C)C1C(=O)[O-])C1CCCCC1	REAL300006435170	0	52	0.0	-72.42	370.46	9.99	-62.43
C[N@@H+](CCC(=O)N1CCC(C)(C)C1C(=O)[O-])C1CCCCC1	REAL300006435170	1	52	0.0	-73.20	370.46	10.02	-63.18
CC1(C)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1C(=O)[O-]	REAL300006435229	0	46	0.0	-93.38	354.65	8.92	-84.46
CC1(C)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1C(=O)[O-]	REAL300006435248	0	54	0.0	-86.91	377.24	8.47	-78.44
CC1(C)CCN(C(=O)CCCC[NH+]2CCOCC2)C1C(=O)[O-]	REAL300006435272	1	50	0.0	-80.56	366.49	8.33	-72.23
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1)C(C)C	REAL300006435273	0	55	0.0	-89.19	390.25	11.46	-77.73
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1)C(C)C	REAL300006435273	1	55	0.0	-90.44	383.57	10.95	-79.49
CC1(C)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006435290	0	50	0.0	-72.47	371.21	10.99	-61.48
CC1(C)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006435290	1	50	0.0	-72.68	374.48	10.54	-62.14
CC1(C)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1C(=O)[O-]	REAL300006435291	0	51	0.0	-83.61	371.87	10.56	-73.05
CC1(C)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1C(=O)[O-]	REAL300006435313	0	54	0.0	-73.77	366.83	8.29	-65.48
CC(C(=O)N1CCC(C)(C)C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006435316	0	49	0.0	-68.58	365.56	10.35	-58.23
CC(C(=O)N1CCC(C)(C)C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006435316	1	49	0.0	-64.19	363.38	10.45	-53.74
CC1(C)CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006435324	0	56	0.0	-76.92	410.11	12.47	-64.45
CC1(C)CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006435324	1	56	0.0	-74.82	407.48	12.49	-62.33
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])C=N1	REAL300006435341	0	45	0.0	-90.03	340.30	7.95	-82.08
CCC[NH+](CCC)CCCC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300006435348	0	54	0.0	-73.96	390.77	10.94	-63.02
CC1(C)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1C(=O)[O-]	REAL300006435366	0	50	0.0	-92.88	367.28	11.05	-81.83
CC1(C)CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1C(=O)[O-]	REAL300006435371	0	53	0.0	-79.78	386.30	11.27	-68.51
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C)(C)C3C(=O)[O-])CC2)CC1	REAL300006435377	0	61	0.0	-82.05	420.33	9.18	-72.87
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(C)(C)C3C(=O)[O-])C=C2)CC(C)O1	REAL300006435384	1	57	0.0	-57.72	417.54	9.83	-47.89
CC1(C)CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300006435393	1	54	0.0	-88.78	400.67	10.69	-78.09
CC1(C)CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300006435393	1	54	0.0	-86.22	398.35	11.04	-75.18
CC1=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006435407	1	44	0.0	-87.49	340.55	8.19	-79.30
CC1(C)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1C(=O)[O-]	REAL300006435410	0	53	0.0	-59.75	384.24	10.81	-48.94
CC1(C)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1C(=O)[O-]	REAL300006435421	1	46	0.0	-83.64	350.57	8.86	-74.78
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300006435422	0	49	0.0	-67.41	365.17	9.80	-57.61
CC1(C)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300006435426	1	51	0.0	-64.66	373.75	9.99	-54.67
CC1(C)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1C(=O)[O-]	REAL300006435426	1	51	0.0	-79.43	374.86	9.90	-69.53
CC(C(=O)N1CCC(C)(C)C1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006435435	0	59	0.0	-67.51	421.35	12.67	-54.84
CC(C(=O)N1CCC(C)(C)C1C(=O)[O-])[NH+]1CCSCC1	REAL300006435457	1	44	0.0	-65.84	322.52	7.97	-57.87
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300006435464	0	49	0.0	-65.71	367.36	11.07	-54.64
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300006435464	1	49	0.0	-66.88	371.21	10.80	-56.08
COCCOCC[N@H+](C)CCC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300006435465	0	53	0.0	-71.64	396.38	7.35	-64.29
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300006435465	1	53	0.0	-75.02	400.22	7.05	-67.97
CC1(C)CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300006435472	0	58	0.0	-79.04	422.02	10.83	-68.21
C[N@H+](CC(=O)N1CCC(C)(C)C1C(=O)[O-])C1CCSC1	REAL300006435494	0	44	0.0	-67.70	331.41	8.62	-59.08
C[N@@H+](CC(=O)N1CCC(C)(C)C1C(=O)[O-])C1CCSC1	REAL300006435494	1	44	0.0	-68.09	331.40	8.61	-59.48
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300006435504	0	54	0.0	-79.31	387.42	7.60	-71.71
CC(C)N1CC[NH+](CCC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300006435504	1	54	0.0	-72.20	386.79	7.57	-64.63
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300006435505	0	57	0.0	-74.85	399.96	8.34	-66.51
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300006435505	1	57	0.0	-74.54	401.38	8.50	-66.04
C[NH+](C)CCN1C=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])C=N1	REAL300006435507	0	46	0.0	-87.28	349.17	7.57	-79.71
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C)(C)C3C(=O)[O-])CC2)=C1	REAL300006435510	0	58	0.0	-75.09	426.26	10.42	-64.67
CC1(C)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300006435512	0	55	0.0	-75.47	404.84	9.75	-65.72
CC1(C)CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1C(=O)[O-]	REAL300006435515	0	52	0.0	-74.11	381.72	9.66	-64.45
CC1(C)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1C(=O)[O-]	REAL300006435515	1	52	0.0	-71.72	379.84	9.77	-61.95
CC(C(=O)N1CCC(C)(C)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006435520	1	50	0.0	-65.01	359.09	10.85	-54.16
CC(C(=O)N1CCC(C)(C)C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006435520	1	50	0.0	-63.23	360.01	10.34	-52.89
CC1(C)CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006435539	0	53	0.0	-78.71	390.87	11.85	-66.86
CC1(C)CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300006435539	1	53	0.0	-78.41	393.78	11.84	-66.57
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300006435550	0	46	0.0	-98.48	353.77	8.15	-90.33
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300006435551	0	46	0.0	-58.19	344.23	7.85	-50.34
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300006435552	1	47	0.0	-66.67	354.18	9.88	-56.79
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C)(C)C2C(=O)[O-])=NN1	REAL300006435555	1	47	0.0	-85.77	351.04	8.03	-77.74
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C)(C)C2C(=O)[O-])=NN1	REAL300006435555	1	47	0.0	-87.92	355.59	7.69	-80.23
CC1(C)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1C(=O)[O-]	REAL300006435563	0	53	0.0	-72.01	385.25	11.77	-60.24
CC1(C)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1C(=O)[O-]	REAL300006435563	1	53	0.0	-66.21	387.04	11.62	-54.59
CC1(C)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1C(=O)[O-]	REAL300006435567	0	54	0.0	-73.95	398.79	9.50	-64.45
CC1(C)CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1C(=O)[O-]	REAL300006435603	0	53	0.0	-72.97	372.22	10.24	-62.73
CC1(C)CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1C(=O)[O-]	REAL300006435603	1	53	0.0	-71.04	372.24	10.43	-60.61
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(C)(C)C3C(=O)[O-])=C2)CC1	REAL300006435628	0	55	0.0	-79.02	403.38	8.84	-70.18
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C)(C)C3C(=O)[O-])C=C2)CC1	REAL300006435629	0	55	0.0	-89.57	401.10	9.33	-80.24
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(C)(C)C3C(=O)[O-])C=C2)CC1	REAL300006435629	1	55	0.0	-60.00	400.75	8.26	-51.74
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300006435630	0	56	0.0	-59.97	402.46	10.00	-49.97
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C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C)(C)C2C(=O)[O-])=C1	REAL300006435711	0	46	0.0	-82.06	344.71	9.42	-72.64
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CC[NH+]1CCN(CCC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300006435753	0	51	0.0	-81.02	370.68	7.08	-73.94
CCN1CC[NH+](CCC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300006435753	1	51	0.0	-71.97	370.65	7.06	-64.91
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C)(C)C3C(=O)[O-])=CC=C1N2	REAL300006435806	1	51	0.0	-94.36	382.24	9.66	-84.70
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])O1	REAL300006435846	0	49	0.0	-86.57	367.47	9.76	-76.81
CC1=CC=C(N2CCC(C(=O)N3CCC(C)(C)C3C(=O)[O-])CC2)[NH+]=C1	REAL300006435847	1	52	0.0	-80.35	381.70	9.18	-71.17
C[N@H+](CC(=O)N1CCC(C)(C)C1C(=O)[O-])CC1=CC=CC=C1	REAL300006435848	1	46	0.0	-66.63	344.88	10.22	-56.41
C[N@@H+](CC(=O)N1CCC(C)(C)C1C(=O)[O-])CC1=CC=CC=C1	REAL300006435848	1	46	0.0	-67.81	348.72	9.96	-57.85
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CC1(C)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1C(=O)[O-]	REAL300006435860	1	41	0.0	-84.87	324.15	7.52	-77.35
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300006435887	0	53	0.0	-71.99	385.56	11.53	-60.46
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CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCCC[C@H]12)[N@@H+](C)CC1=CC=CC=C1	REAL300006439352	1	56	0.0	-64.80	390.13	11.77	-53.03
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O=C([O-])CC1CC2(CN1C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)CCOCC2	REAL300006443353	1	58	0.0	-77.59	422.41	10.32	-67.27
O=C([O-])CC1CC2(CN1C(=O)C1CC[NH+](C3CCSC3)CC1)CCOCC2	REAL300006443354	0	59	0.0	-89.21	422.29	9.64	-79.57
O=C([O-])CC1CC2(CN1C(=O)CC1([NH+]3CCOCC3)CCCC1)CCOCC2	REAL300006443376	0	62	0.0	-52.14	416.23	8.45	-43.69
CCC(C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)[NH+](CC)CC	REAL300006443380	0	56	0.0	-64.14	384.22	8.20	-55.94
CC(C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)[N@H+](C)CC1=CC=CC=C1	REAL300006443382	0	57	0.0	-73.60	416.75	9.98	-63.62
CC(C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)[N@@H+](C)CC1=CC=CC=C1	REAL300006443382	1	57	0.0	-65.14	412.63	10.93	-54.21
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C=N1	REAL300006443401	0	53	0.0	-88.01	388.74	8.84	-79.17
CCC[NH+](CCC)CCCC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443404	0	62	0.0	-76.78	446.08	10.27	-66.51
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443413	1	52	0.0	-67.53	388.98	8.78	-58.75
O=C([O-])CC1CC2(CN1C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)CCOCC2	REAL300006443426	0	58	0.0	-93.99	417.96	11.53	-82.46
C[NH+](C)CC1(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006443432	0	51	0.0	-70.93	367.70	8.65	-62.28
C[NH+](C)CCCCC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443439	0	53	0.0	-79.34	388.49	8.23	-71.11
CC1=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C=NN1C1=CC=[NH+]C=C1	REAL300006443456	1	52	0.0	-85.76	387.47	8.72	-77.04
O=C([O-])CC1CC2(CN1C(=O)C1=NOC(C[NH+]3CCCC3)=C1)CCOCC2	REAL300006443468	1	54	0.0	-79.22	404.36	8.33	-70.89
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C=C1	REAL300006443469	0	57	0.0	-98.10	415.63	11.22	-86.88
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443474	1	50	0.0	-65.62	367.47	7.69	-57.93
CCC[N@H+](C)CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443481	0	50	0.0	-72.71	362.45	7.45	-65.26
CCC[N@@H+](C)CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443481	1	50	0.0	-72.79	362.45	7.45	-65.34
C[N@H+](CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)C1CCC1	REAL300006443495	0	51	0.0	-69.15	369.20	8.03	-61.12
C[N@@H+](CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)C1CCC1	REAL300006443495	1	51	0.0	-69.43	369.34	8.04	-61.39
CC(C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)[NH+]1CCSCC1	REAL300006443515	1	52	0.0	-72.02	380.88	7.98	-64.04
C[N@H+](CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)CC(C)(C)C	REAL300006443518	0	56	0.0	-72.35	390.30	8.45	-63.90
C[N@@H+](CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)CC(C)(C)C	REAL300006443518	1	56	0.0	-71.79	393.82	8.60	-63.19
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443520	0	57	0.0	-75.71	422.36	10.48	-65.23
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443520	1	57	0.0	-75.71	422.35	10.47	-65.24
COCCOCC[N@H+](C)CCC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443521	0	61	0.0	-75.94	451.02	6.69	-69.25
COCCOCC[N@@H+](C)CCC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443521	1	61	0.0	-78.74	451.50	6.72	-72.02
CC[C@@H](C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)[NH+](C)C	REAL300006443524	0	50	0.0	-67.74	349.38	6.88	-60.86
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006443526	0	55	0.0	-74.92	390.90	6.48	-68.44
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006443526	1	55	0.0	-75.76	380.85	6.28	-69.48
CCCCCC[N@H+](C)CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443538	0	59	0.0	-73.86	426.57	9.80	-64.06
CCCCCC[N@@H+](C)CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443538	1	59	0.0	-74.08	426.94	9.79	-64.29
O=C([O-])CC1CC2(CN1C(=O)C1=CC3=C[NH+]=CN3C=C1)CCOCC2	REAL300006443552	1	46	0.0	-86.75	345.18	10.40	-76.35
C[N@H+](CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)C1CCSC1	REAL300006443561	0	52	0.0	-76.75	382.18	8.28	-68.47
C[N@@H+](CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)C1CCSC1	REAL300006443561	1	52	0.0	-77.50	382.42	8.28	-69.22
CC(C)[NH+]1CCN(CCC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006443576	0	62	0.0	-77.42	438.57	7.25	-70.17
CC(C)N1CC[NH+](CCC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006443576	1	62	0.0	-76.43	435.31	7.11	-69.32
CC(C)[NH+]1CCN(CCCC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006443577	0	65	0.0	-74.75	460.18	8.06	-66.69
CC(C)N1CC[NH+](CCCC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006443577	1	65	0.0	-77.48	456.29	7.86	-69.62
O=C([O-])CC1CC2(CN1C(=O)C1CCCC3CCC[N@@H+]31)CCOCC2	REAL300006443578	0	55	0.0	-48.17	359.18	8.02	-40.15
O=C([O-])CC1CC2(CN1C(=O)C1CCCC3CCC[N@H+]31)CCOCC2	REAL300006443578	1	55	0.0	-56.65	381.88	9.84	-46.81
C[NH+](C)CCN1C=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C=N1	REAL300006443580	0	54	0.0	-86.05	398.47	8.45	-77.60
CC(C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006443588	1	58	0.0	-72.09	418.85	10.34	-61.75
CC(C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300006443588	1	58	0.0	-48.28	407.08	10.82	-37.46
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)=N1	REAL300006443615	0	54	0.0	-93.79	404.33	7.79	-86.00
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443616	0	54	0.0	-50.20	400.54	8.27	-41.93
C[C@@H]1[C@H](C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC[N@@H+]1C	REAL300006443618	0	51	0.0	-81.68	358.54	6.99	-74.69
C[C@@H]1[C@H](C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC[N@H+]1C	REAL300006443618	1	51	0.0	-80.44	365.09	7.25	-73.19
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443619	1	55	0.0	-69.64	409.07	9.30	-60.34
CC[C@@H]1[C@@H](C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC[N@@H+]1C	REAL300006443622	0	54	0.0	-79.01	375.61	7.54	-71.47
CC[C@@H]1[C@@H](C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC[N@H+]1C	REAL300006443622	1	54	0.0	-77.54	384.66	8.15	-69.39
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)=NN1	REAL300006443624	1	55	0.0	-83.17	406.97	7.30	-75.87
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)=NN1	REAL300006443624	1	55	0.0	-82.99	407.27	7.30	-75.69
CC1C[N@H+](C)CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)O1	REAL300006443629	1	52	0.0	-88.46	370.13	6.94	-81.52
CC1C[N@@H+](C)CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)O1	REAL300006443629	1	52	0.0	-91.63	365.35	7.38	-84.25
O=C([O-])CC1CC2(CN1C(=O)C[NH+]1CCCC1)CCOCC2	REAL300006443635	0	48	0.0	-72.16	348.81	7.18	-64.98
CC1=[NH+]C=CN1CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443637	1	46	0.0	-68.48	352.27	7.65	-60.83
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443639	1	55	0.0	-71.78	389.29	7.51	-64.27
CC1CC[NH+](CC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006443657	0	54	0.0	-72.13	386.88	8.54	-63.59
CC[N@@H+]1CCOC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006443668	1	52	0.0	-86.96	373.58	6.88	-80.08
CC[N@H+]1CCOC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006443668	1	52	0.0	-86.42	369.98	7.75	-78.67
O=C([O-])CC1CC2(CN1C(=O)C1CC[N@@H+](C3CCCCC3)C1)CCOCC2	REAL300006443697	0	61	0.0	-76.42	425.32	9.85	-66.57
O=C([O-])CC1CC2(CN1C(=O)C1CC[N@H+](C3CCCCC3)C1)CCOCC2	REAL300006443697	1	61	0.0	-70.45	421.86	10.94	-59.51
C[N@@H+]1CCCC1CCC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443703	0	54	0.0	-75.81	384.93	8.10	-67.71
C[N@H+]1CCCC1CCC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443703	1	54	0.0	-75.79	384.76	8.10	-67.69
O=C([O-])CC1CC2(CN1C(=O)C1CCC3CCCC[N@@H+]31)CCOCC2	REAL300006443714	0	55	0.0	-68.19	383.78	8.49	-59.70
O=C([O-])CC1CC2(CN1C(=O)C1CCC3CCCC[N@H+]31)CCOCC2	REAL300006443714	1	55	0.0	-67.14	387.74	8.84	-58.30
CC[NH+](CC)CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443733	0	50	0.0	-70.18	354.83	7.11	-63.07
CC(C)[NH+]1CCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006443735	0	57	0.0	-75.22	394.02	9.66	-65.56
O=C([O-])CC1CC2(CN1C(=O)C13CC[NH+](CC1)C3)CCOCC2	REAL300006443802	0	49	0.0	-80.04	348.20	6.28	-73.76
CCC(C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)[NH+](C)C	REAL300006443805	0	50	0.0	-67.75	348.73	6.85	-60.90
O=C([O-])CC1CC2(CN1C(=O)C13CC[N@H+](C1)CCC3)CCOCC2	REAL300006443812	0	52	0.0	-89.53	348.85	7.99	-81.54
O=C([O-])CC1CC2(CN1C(=O)C13CC[N@@H+](C1)CCC3)CCOCC2	REAL300006443812	1	52	0.0	-84.94	351.26	8.03	-76.91
CC1CCC(C)[NH+]1CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443847	0	54	0.0	-67.87	380.80	7.92	-59.95
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)=C1	REAL300006443848	0	54	0.0	-79.78	393.02	10.32	-69.46
C#CC[NH+]1CCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006443895	0	53	0.0	-79.28	388.52	9.90	-69.38
CC[NH+]1CCN(CCC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006443897	0	59	0.0	-78.92	421.83	6.74	-72.18
CCN1CC[NH+](CCC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006443897	1	59	0.0	-76.71	421.23	6.71	-70.00
CC(C)[N@H+](C)CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443898	0	50	0.0	-69.14	357.52	7.24	-61.90
CC(C)[N@@H+](C)CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443898	1	50	0.0	-69.68	357.26	7.24	-62.44
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443903	1	55	0.0	-69.30	408.74	9.23	-60.07
CC[N@H+](CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)C1CC1	REAL300006443910	0	51	0.0	-67.76	371.73	8.09	-59.67
CC[N@@H+](CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)C1CC1	REAL300006443910	1	51	0.0	-62.68	364.52	8.81	-53.87
CC(C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)[NH+]1CCCCCC1	REAL300006443933	0	57	0.0	-67.23	390.39	8.37	-58.86
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443936	0	48	0.0	-68.19	345.24	6.81	-61.38
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006443936	1	48	0.0	-72.16	342.11	6.54	-65.62
CC(C)(C)[NH2+]CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006444002	0	50	0.0	-70.42	362.76	5.74	-64.68
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)O1	REAL300006444004	0	57	0.0	-83.59	419.64	9.24	-74.35
O=C([O-])CC1CC2(CN1C(=O)CCCC[NH+]1CCCC1)CCOCC2	REAL300006444005	0	57	0.0	-77.60	414.46	9.41	-68.19
C[N@H+](CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)CC1=CC=CC=C1	REAL300006444007	1	54	0.0	-76.36	399.75	9.64	-66.72
C[N@@H+](CC(=O)N1CC2(CC1CC(=O)[O-])CCOCC2)CC1=CC=CC=C1	REAL300006444007	1	54	0.0	-77.29	399.88	9.63	-67.66
O=C([O-])CC1CC2(CN1C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)CCOCC2	REAL300006444031	1	49	0.0	-83.65	372.72	8.05	-75.60
C[NH+](C)CC1=CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)=NO1	REAL300006444050	1	50	0.0	-81.67	377.80	7.24	-74.43
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006444063	0	54	0.0	-70.59	369.21	8.05	-62.54
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CC1CC(=O)[O-])CCOCC2	REAL300006444063	1	54	0.0	-70.02	371.37	8.19	-61.83
C[NH+]1CCC(OCC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006444080	0	55	0.0	-84.10	403.76	8.15	-75.95
O=C([O-])CC1CC2(CN1C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)CCOCC2	REAL300006444084	0	58	0.0	-83.59	426.02	9.66	-73.93
CCC[N@@H+]1CCCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444219	0	57	0.0	-75.36	402.21	8.77	-66.59
CCC[N@H+]1CCCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444219	1	57	0.0	-56.46	391.91	10.21	-46.25
O=C([O-])CC1CC2(CN1C(=O)C[NH+]1CCC(CO)CC1)CCOCC2	REAL300006444241	0	55	0.0	-75.36	396.54	5.23	-70.13
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444405	0	57	0.0	-73.78	397.36	8.53	-65.25
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444405	1	57	0.0	-57.31	387.06	9.99	-47.32
C[N@@H+]1CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C(C(F)(F)F)C1	REAL300006444406	0	51	0.0	-85.94	371.35	7.52	-78.42
C[N@H+]1CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C(C(F)(F)F)C1	REAL300006444406	1	51	0.0	-79.16	373.81	7.30	-71.86
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)N1	REAL300006444427	1	52	0.0	-70.09	394.04	7.34	-62.75
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)=C1	REAL300006444797	0	57	0.0	-83.50	415.56	11.17	-72.33
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C=C1	REAL300006444803	0	58	0.0	-91.29	422.05	9.81	-81.48
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444917	0	51	0.0	-77.07	372.37	7.77	-69.30
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)CC1	REAL300006444921	0	57	0.0	-69.65	390.88	8.41	-61.24
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CC3CC(=O)[O-])CCOCC4)=CN21	REAL300006444925	0	49	0.0	-72.85	369.71	8.87	-63.98
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444974	0	60	0.0	-71.82	415.06	10.49	-61.33
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444974	1	60	0.0	-66.89	411.90	9.64	-57.25
CC[N@@H+]1CCCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444975	0	54	0.0	-65.10	375.53	8.23	-56.87
CC[N@H+]1CCCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444975	1	54	0.0	-65.94	375.67	8.23	-57.71
C[N@@H+]1CCCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444980	0	51	0.0	-55.61	353.11	8.62	-46.99
C[N@H+]1CCCC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C1	REAL300006444980	1	51	0.0	-69.55	360.06	8.54	-61.01
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)O1	REAL300006444982	1	51	0.0	-84.76	384.39	7.79	-76.97
O=C([O-])CC1CC2(CN1C(=O)C13CC(C1)C[N@@H+]3C1CC1)CCOCC2	REAL300006444990	0	53	0.0	-63.19	386.32	9.39	-53.80
O=C([O-])CC1CC2(CN1C(=O)C13CC(C1)C[N@H+]3C1CC1)CCOCC2	REAL300006444990	1	53	0.0	-74.94	365.78	10.33	-64.61
CCC1=CC=CN=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006445029	0	45	0.0	-46.64	342.35	6.76	-39.88
CCC1=CC=CN=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006445029	1	45	0.0	-48.52	346.47	7.38	-41.14
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C3=CNN=C3)C=C2)C1	REAL300006445127	0	44	0.0	-54.54	348.03	7.27	-47.27
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C3=CNN=C3)C=C2)C1	REAL300006445127	1	44	0.0	-52.89	341.68	7.30	-45.59
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN(C3CCCCC3)N=C2)C1	REAL300006445294	1	50	0.0	-53.34	368.54	8.31	-45.03
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN(C3CCCCC3)N=C2)C1	REAL300006445294	1	50	0.0	-49.62	367.75	7.86	-41.76
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2=C1CCCC2	REAL300006446233	0	57	0.0	-92.12	424.44	13.26	-78.86
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C2=C1CCCC2	REAL300006447389	0	51	0.0	-86.64	371.44	10.84	-75.80
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)[O-])C4=C3CCCC4)CN21	REAL300006447414	1	49	0.0	-77.61	369.67	10.69	-66.92
CC(C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)N1CC[NH+](C)CC1	REAL300006447479	1	52	0.0	-80.96	373.92	7.84	-73.12
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447511	1	47	0.0	-79.15	343.99	9.58	-69.57
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447511	1	47	0.0	-81.69	334.48	9.39	-72.30
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006447578	0	47	0.0	-89.39	346.59	9.63	-79.76
O=C([O-])C1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C2=C1CCCC2	REAL300006447604	0	42	0.0	-82.60	333.61	11.53	-71.07
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CCCCC1	REAL300006447633	0	56	0.0	-88.25	385.73	11.49	-76.76
C[N@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)C1CCCCC1	REAL300006447637	0	56	0.0	-86.90	400.53	11.59	-75.31
C[N@@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)C1CCCCC1	REAL300006447637	1	56	0.0	-87.04	400.53	11.58	-75.46
C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447649	0	44	0.0	-79.16	327.70	8.93	-70.23
C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447649	1	44	0.0	-79.77	328.84	9.06	-70.71
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006447695	0	47	0.0	-89.39	346.59	9.63	-79.76
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C2=C1CCCC2	REAL300006447698	0	50	0.0	-90.83	390.55	10.63	-80.20
O=C([O-])C1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C2=C1CCCC2	REAL300006447709	0	58	0.0	-78.57	408.55	10.16	-68.41
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447740	1	48	0.0	-80.59	374.12	10.94	-69.65
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C2=C1CCCC2	REAL300006447741	1	54	0.0	-87.52	400.52	9.58	-77.94
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1)C(C)C	REAL300006447743	0	59	0.0	-87.60	429.21	13.08	-74.52
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1)C(C)C	REAL300006447743	1	59	0.0	-87.46	420.90	12.70	-74.76
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447746	0	44	0.0	-82.87	323.66	8.56	-74.31
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447746	1	44	0.0	-79.14	328.84	9.08	-70.06
O=C([O-])C1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C2=C1CCCC2	REAL300006447783	0	54	0.0	-86.07	405.40	12.36	-73.71
O=C([O-])C1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C2=C1CCCC2	REAL300006447783	1	54	0.0	-86.74	407.88	12.54	-74.20
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C2=C1CCCC2	REAL300006447784	0	55	0.0	-93.91	401.81	11.62	-82.29
O=C([O-])C1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C2=C1CCCC2	REAL300006447808	0	58	0.0	-86.54	399.89	9.88	-76.66
CCC(C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)[NH+](CC)CC	REAL300006447812	0	52	0.0	-75.95	365.04	10.06	-65.89
CC(C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)[N@H+](C)CC1=CC=CC=C1	REAL300006447814	0	53	0.0	-85.48	396.52	11.97	-73.51
CC(C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)[N@@H+](C)CC1=CC=CC=C1	REAL300006447814	1	53	0.0	-84.76	397.18	12.06	-72.70
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300006447834	0	49	0.0	-87.44	377.36	9.65	-77.79
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447838	0	58	0.0	-84.65	421.36	11.91	-72.74
C[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006447840	1	45	0.0	-97.02	340.93	8.36	-88.66
C[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006447840	1	45	0.0	-88.04	333.34	8.21	-79.83
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447847	1	48	0.0	-77.62	369.06	10.76	-66.86
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C2=C1CCCC2	REAL300006447862	0	54	0.0	-90.20	406.38	12.67	-77.53
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C2=C1CCCC2	REAL300006447867	0	57	0.0	-83.52	422.87	13.38	-70.14
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006447871	0	47	0.0	-91.36	346.39	9.70	-81.66
C[NH+](C)CCCCC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447879	0	49	0.0	-85.49	368.67	10.16	-75.33
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=NN1C1=CC=[NH+]C=C1	REAL300006447900	1	48	0.0	-88.81	377.33	9.89	-78.92
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C2=C1CCCC2	REAL300006447903	0	57	0.0	-90.54	423.13	13.38	-77.16
O=C([O-])C1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C2=C1CCCC2	REAL300006447915	1	50	0.0	-85.93	387.64	10.21	-75.72
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300006447916	0	53	0.0	-92.60	402.74	12.33	-80.27
O=C([O-])C1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C2=C1CCCC2	REAL300006447922	1	55	0.0	-90.35	409.85	11.79	-78.56
O=C([O-])C1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C2=C1CCCC2	REAL300006447922	1	55	0.0	-93.22	410.46	11.79	-81.43
CCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447929	0	46	0.0	-84.49	342.39	9.45	-75.04
CCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447929	1	46	0.0	-84.74	341.48	9.40	-75.34
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)C1CCC1	REAL300006447943	0	47	0.0	-81.95	348.49	9.98	-71.97
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)C1CCC1	REAL300006447943	1	47	0.0	-82.24	348.39	9.96	-72.28
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)CC(C)(C)C	REAL300006447971	0	52	0.0	-84.48	369.47	10.38	-74.10
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)CC(C)(C)C	REAL300006447971	1	52	0.0	-84.24	372.56	10.55	-73.69
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447973	0	53	0.0	-88.35	401.39	12.43	-75.92
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447973	1	53	0.0	-88.41	401.41	12.44	-75.97
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447974	0	57	0.0	-86.06	431.39	8.61	-77.45
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447974	1	57	0.0	-87.15	431.44	8.64	-78.51
CC[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)[NH+](C)C	REAL300006447977	0	46	0.0	-79.05	331.78	9.12	-69.93
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006447979	0	51	0.0	-79.04	362.68	8.03	-71.01
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006447979	1	51	0.0	-84.20	359.60	8.16	-76.04
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447990	0	55	0.0	-85.81	406.88	11.79	-74.02
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006447990	1	55	0.0	-85.96	405.98	11.75	-74.21
O=C([O-])C1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C2=C1CCCC2	REAL300006448004	1	42	0.0	-88.46	333.88	11.55	-76.91
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)C1CCSC1	REAL300006448014	0	48	0.0	-90.13	361.74	10.24	-79.89
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)C1CCSC1	REAL300006448014	1	48	0.0	-88.79	362.42	10.29	-78.50
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448028	0	58	0.0	-82.73	418.50	9.21	-73.52
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448028	1	58	0.0	-86.77	414.13	8.96	-77.81
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448029	0	61	0.0	-80.05	438.97	9.97	-70.08
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448029	1	61	0.0	-85.41	436.82	9.84	-75.57
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C2=C1CCCC2	REAL300006448030	0	51	0.0	-80.88	359.40	10.55	-70.33
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C2=C1CCCC2	REAL300006448030	1	51	0.0	-80.68	359.18	10.52	-70.16
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300006448032	0	50	0.0	-88.93	387.76	9.52	-79.41
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C2=C1CCCC2	REAL300006448037	0	56	0.0	-87.01	412.80	11.65	-75.36
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C2=C1CCCC2	REAL300006448037	1	56	0.0	-87.43	418.93	11.45	-75.98
CC(C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006448042	1	54	0.0	-84.91	397.43	12.50	-72.41
CC(C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300006448042	1	54	0.0	-84.98	396.99	12.48	-72.50
O=C([O-])C1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C2=C1CCCC2	REAL300006448057	0	57	0.0	-89.08	425.19	13.14	-75.94
O=C([O-])C1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C2=C1CCCC2	REAL300006448057	1	57	0.0	-89.40	427.66	13.25	-76.15
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=N1	REAL300006448070	0	50	0.0	-94.91	387.79	9.55	-85.36
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448071	0	50	0.0	-73.31	381.14	9.45	-63.86
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC[N@@H+]1C	REAL300006448073	0	47	0.0	-86.90	340.16	8.98	-77.92
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC[N@H+]1C	REAL300006448073	1	47	0.0	-84.03	345.25	9.64	-74.39
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448074	1	51	0.0	-78.24	389.21	11.23	-67.01
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC[N@@H+]1C	REAL300006448077	0	50	0.0	-85.52	359.66	9.70	-75.82
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC[N@H+]1C	REAL300006448077	1	50	0.0	-85.04	365.27	10.02	-75.02
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=NN1	REAL300006448079	1	51	0.0	-87.76	388.89	9.10	-78.66
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=NN1	REAL300006448079	1	51	0.0	-85.40	383.14	8.53	-76.87
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300006448084	1	48	0.0	-98.12	354.88	8.66	-89.46
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300006448084	1	48	0.0	-96.46	354.19	8.69	-87.77
O=C([O-])C1=CC=C(NC(=O)C[NH+]2CCCC2)C2=C1CCCC2	REAL300006448090	0	44	0.0	-83.36	327.22	9.04	-74.32
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448092	1	42	0.0	-79.19	332.51	9.65	-69.54
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448094	0	51	0.0	-85.16	375.04	8.74	-76.42
CC1CC[NH+](CC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448111	0	50	0.0	-85.44	364.84	10.49	-74.95
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006448122	1	48	0.0	-83.97	350.75	8.82	-75.15
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006448122	1	48	0.0	-87.64	350.02	8.82	-78.82
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448151	1	57	0.0	-98.23	420.92	11.46	-86.77
O=C([O-])C1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C2=C1CCCC2	REAL300006448152	0	57	0.0	-83.41	409.42	11.95	-71.46
O=C([O-])C1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C2=C1CCCC2	REAL300006448152	1	57	0.0	-82.17	408.95	11.95	-70.22
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448158	0	50	0.0	-82.46	364.61	10.02	-72.44
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448158	1	50	0.0	-82.58	364.52	10.03	-72.55
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C2=C1CCCC2	REAL300006448169	0	51	0.0	-80.53	363.62	10.48	-70.05
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C2=C1CCCC2	REAL300006448169	1	51	0.0	-81.02	362.97	10.47	-70.55
CC[NH+](CC)CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448189	0	46	0.0	-81.99	338.82	9.37	-72.62
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448191	0	53	0.0	-86.81	382.26	10.87	-75.94
O=C([O-])C1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C2=C1CCCC2	REAL300006448257	0	45	0.0	-86.57	334.81	8.55	-78.02
CCC(C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)[NH+](C)C	REAL300006448260	0	46	0.0	-80.21	331.81	9.00	-71.21
O=C([O-])C1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C2=C1CCCC2	REAL300006448267	0	48	0.0	-85.12	344.62	9.18	-75.94
O=C([O-])C1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C2=C1CCCC2	REAL300006448267	1	48	0.0	-84.38	345.14	9.26	-75.12
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448305	0	50	0.0	-80.63	360.99	10.08	-70.55
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300006448306	0	50	0.0	-84.37	381.29	11.52	-72.85
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C2=C1CCCC2	REAL300006448307	0	57	0.0	-81.54	417.28	13.37	-68.17
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C2=C1CCCC2	REAL300006448307	1	57	0.0	-80.63	418.19	13.40	-67.23
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448359	0	49	0.0	-89.66	372.62	10.84	-78.82
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448361	0	55	0.0	-84.95	400.60	8.54	-76.41
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448361	1	55	0.0	-86.68	400.89	8.65	-78.03
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448362	0	46	0.0	-81.42	337.57	9.24	-72.18
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448362	1	46	0.0	-81.68	336.68	9.19	-72.49
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448367	1	51	0.0	-77.55	388.67	11.17	-66.38
CC[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)C1CC1	REAL300006448374	0	47	0.0	-80.42	350.87	10.04	-70.38
CC[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)C1CC1	REAL300006448374	1	47	0.0	-81.87	347.95	9.98	-71.89
CC(C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)[NH+]1CCCCCC1	REAL300006448400	0	53	0.0	-79.19	371.17	10.44	-68.75
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448404	0	44	0.0	-79.93	329.67	9.09	-70.84
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448404	1	44	0.0	-82.14	321.72	8.54	-73.60
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448473	0	46	0.0	-82.66	342.26	7.73	-74.93
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300006448475	0	53	0.0	-87.03	403.34	11.16	-75.87
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C2=C1CCCC2	REAL300006448476	0	53	0.0	-84.12	393.58	11.30	-72.82
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(C(=O)[O-])C4=C3CCCC4)CC2)[NH+]=C1	REAL300006448478	1	56	0.0	-82.23	416.99	11.10	-71.13
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)CC1=CC=CC=C1	REAL300006448479	1	50	0.0	-89.81	378.93	11.59	-78.22
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2)CC1=CC=CC=C1	REAL300006448479	1	50	0.0	-89.57	379.78	11.63	-77.94
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=NO1	REAL300006448526	1	46	0.0	-87.12	361.21	9.01	-78.11
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448530	0	57	0.0	-87.70	422.81	13.16	-74.54
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448530	1	57	0.0	-88.10	423.91	13.03	-75.07
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448543	0	50	0.0	-78.54	362.25	10.12	-68.42
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300006448543	1	50	0.0	-78.47	361.84	10.14	-68.33
C[NH+]1CCC(OCC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006448560	0	51	0.0	-88.71	383.39	10.03	-78.68
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C2=C1CCCC2	REAL300006448565	0	54	0.0	-89.15	409.24	11.73	-77.42
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006448712	0	53	0.0	-83.33	386.33	11.00	-72.33
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006448712	1	53	0.0	-83.05	387.12	11.04	-72.01
O=C([O-])C1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C2=C1CCCC2	REAL300006448737	1	51	0.0	-86.45	375.99	7.17	-79.28
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006448914	0	53	0.0	-75.80	376.00	11.03	-64.77
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006448914	1	53	0.0	-81.36	382.21	10.82	-70.54
C[N@@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C(C(F)(F)F)C1	REAL300006448915	0	47	0.0	-91.07	354.81	9.87	-81.20
C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C(C(F)(F)F)C1	REAL300006448915	1	47	0.0	-93.82	355.01	9.89	-83.93
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)N1	REAL300006448938	1	48	0.0	-78.19	373.67	9.30	-68.89
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300006449323	0	53	0.0	-84.36	404.09	12.34	-72.02
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300006449330	0	54	0.0	-89.84	411.11	11.31	-78.53
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006449447	0	47	0.0	-83.55	352.73	9.76	-73.79
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)CC1	REAL300006449451	0	53	0.0	-78.66	374.18	10.67	-67.99
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C(=O)[O-])C4=C3CCCC4)=CN21	REAL300006449455	0	45	0.0	-79.53	354.68	11.32	-68.21
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006449504	0	56	0.0	-82.17	404.13	11.72	-70.45
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006449504	1	56	0.0	-76.91	397.85	11.93	-64.98
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006449505	0	50	0.0	-76.13	359.33	10.52	-65.61
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006449505	1	50	0.0	-76.23	358.54	10.45	-65.78
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006449510	0	47	0.0	-76.61	340.37	9.79	-66.82
C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C1	REAL300006449510	1	47	0.0	-84.14	348.08	9.65	-74.49
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300006449512	1	47	0.0	-90.37	367.68	9.85	-80.52
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C2=C1CCCC2	REAL300006449520	1	49	0.0	-81.77	368.19	10.47	-71.30
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C2=C1CCCC2	REAL300006449520	1	49	0.0	-83.80	359.51	11.10	-72.70
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006450580	0	57	0.0	-87.08	410.25	13.46	-73.62
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006451903	0	51	0.0	-81.14	355.35	11.00	-70.14
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CCC4)CCC3C(=O)[O-])CN12	REAL300006451930	1	49	0.0	-76.52	358.90	10.97	-65.55
CC1=NC(C[NH+]2CCC(C(=O)N3CC4(CCC4)CCC3C(=O)[O-])CC2)=CS1	REAL300006451993	1	56	0.0	-86.95	417.14	11.14	-75.81
CC(C(=O)N1CC2(CCC2)CCC1C(=O)[O-])N1CC[NH+](C)CC1	REAL300006451994	1	52	0.0	-75.33	363.10	7.81	-67.52
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=C1	REAL300006452066	0	60	0.0	-88.12	446.24	13.02	-75.10
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006452123	0	42	0.0	-81.00	313.23	11.40	-69.60
C[NH+](C)CC1(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])CCCCC1	REAL300006452151	0	56	0.0	-75.95	357.83	10.56	-65.39
C[N@H+](CCC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1CCCCC1	REAL300006452155	0	56	0.0	-75.13	389.80	12.00	-63.13
C[N@@H+](CCC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1CCCCC1	REAL300006452155	1	56	0.0	-74.88	391.31	12.05	-62.83
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006452216	0	50	0.0	-98.30	377.69	10.76	-87.54
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006452231	0	58	0.0	-90.19	400.81	10.49	-79.70
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300006452258	1	48	0.0	-75.12	363.85	11.36	-63.76
O=C([O-])C1CCC2(CCC2)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300006452259	1	54	0.0	-83.17	391.17	10.03	-73.14
CC[N@H+](CC1=CC=C(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=C1)C(C)C	REAL300006452260	0	59	0.0	-76.27	423.38	13.50	-62.77
CC[N@@H+](CC1=CC=C(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=C1)C(C)C	REAL300006452260	1	59	0.0	-94.93	407.40	12.86	-82.07
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006452279	0	54	0.0	-75.35	395.24	12.76	-62.59
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006452279	1	54	0.0	-74.38	391.85	12.69	-61.69
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006452280	0	55	0.0	-87.45	392.21	12.03	-75.42
O=C([O-])C1CCC2(CCC2)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006452308	0	58	0.0	-75.24	389.77	10.02	-65.22
CCC(C(=O)N1CC2(CCC2)CCC1C(=O)[O-])[NH+](CC)CC	REAL300006452312	0	52	0.0	-61.64	349.96	10.10	-51.54
CC(C(=O)N1CC2(CCC2)CCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006452314	0	53	0.0	-67.99	381.06	11.99	-56.00
CC(C(=O)N1CC2(CCC2)CCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006452314	1	53	0.0	-64.08	385.55	12.08	-52.00
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006452322	0	60	0.0	-62.44	418.99	14.15	-48.29
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006452322	1	60	0.0	-81.67	432.35	14.26	-67.41
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=N1	REAL300006452336	0	49	0.0	-91.32	357.50	9.84	-81.48
CCC[NH+](CCC)CCCC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300006452343	0	58	0.0	-75.60	410.49	12.20	-63.40
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300006452351	1	48	0.0	-60.04	356.77	10.85	-49.19
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006452365	0	54	0.0	-99.09	393.76	12.83	-86.26
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006452370	0	57	0.0	-84.28	408.98	13.43	-70.85
CCN1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)CCC3C(=O)[O-])CC2)CC1	REAL300006452375	0	65	0.0	-83.99	440.11	11.09	-72.90
O=C([O-])C1CCC2(CCC2)CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006452394	1	58	0.0	-88.91	419.96	12.26	-76.65
O=C([O-])C1CCC2(CCC2)CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006452394	1	58	0.0	-85.57	426.92	12.34	-73.23
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C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300006462268	0	54	0.0	-81.42	417.52	11.55	-69.87
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300006462385	0	47	0.0	-73.86	359.94	9.95	-63.91
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300006462389	0	53	0.0	-72.41	377.51	10.86	-61.55
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3CCC4=CC=CC=C43)=CN21	REAL300006462393	0	45	0.0	-67.31	366.23	11.11	-56.20
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300006462442	0	56	0.0	-65.00	416.38	11.47	-53.53
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300006462442	1	56	0.0	-55.15	407.34	11.71	-43.44
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300006462443	0	50	0.0	-70.67	372.36	10.35	-60.32
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300006462443	1	50	0.0	-60.36	363.53	10.56	-49.80
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300006462448	0	47	0.0	-59.62	353.54	9.59	-50.03
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300006462448	1	47	0.0	-66.08	357.60	9.46	-56.62
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)O1	REAL300006462450	1	47	0.0	-77.39	377.57	9.65	-67.74
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CCC2=CC=CC=C21	REAL300006462458	1	49	0.0	-61.75	371.13	10.48	-51.27
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1CCC2=CC=CC=C21	REAL300006462458	1	49	0.0	-68.10	363.90	10.86	-57.24
CC(COC1=CC=CC=C1)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006463325	0	57	0.0	-80.28	435.84	12.38	-67.90
CC(COC1=CC=CC=C1)(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300006464469	0	51	0.0	-73.95	388.88	10.27	-63.68
CC1=[NH+]C=C2CCC(C(=O)NC(C)(COC3=CC=CC=C3)C(=O)[O-])CN21	REAL300006464493	1	49	0.0	-67.34	382.66	9.94	-57.40
CC(C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006464559	1	52	0.0	-73.78	388.35	6.99	-66.79
C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006464589	0	47	0.0	-57.47	356.23	8.74	-48.73
C[N@H+]1CCCC[C@H]1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006464589	1	47	0.0	-64.31	344.36	8.33	-55.98
C[NH+]1CCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006464656	0	47	0.0	-80.23	359.63	8.86	-71.37
CC(COC1=CC=CC=C1)(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300006464683	0	42	0.0	-74.81	345.18	10.72	-64.09
C[NH+](C)CC1(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CCCCC1	REAL300006464712	0	56	0.0	-54.90	400.91	10.49	-44.41
C[N@H+](CCC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CCCCC1	REAL300006464716	0	56	0.0	-71.21	413.43	10.79	-60.42
C[N@@H+](CCC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CCCCC1	REAL300006464716	1	56	0.0	-71.20	413.44	10.79	-60.41
C[N@@H+]1CCCC1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006464729	0	44	0.0	-58.51	330.88	7.55	-50.96
C[N@H+]1CCCC1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006464729	1	44	0.0	-58.50	330.85	7.54	-50.96
C[NH+]1CCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006464776	0	47	0.0	-80.23	359.63	8.86	-71.37
CC(COC1=CC=CC=C1)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300006464779	0	50	0.0	-84.88	404.17	9.85	-75.03
CC(COC1=CC=CC=C1)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300006464790	0	58	0.0	-72.89	420.22	9.24	-63.65
CC1=[NH+]C=CN1CCCC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006464822	1	48	0.0	-72.18	386.00	10.11	-62.07
CC(COC1=CC=CC=C1)(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300006464823	1	54	0.0	-79.02	413.29	8.79	-70.23
CC[N@H+](CC1=CC=C(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=C1)C(C)C	REAL300006464825	0	59	0.0	-85.61	441.71	12.32	-73.29
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=C1)C(C)C	REAL300006464825	1	59	0.0	-85.45	432.51	11.90	-73.55
C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006464828	0	44	0.0	-68.15	335.04	7.67	-60.48
C[N@H+]1CCC[C@@H]1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006464828	1	44	0.0	-61.47	340.10	8.25	-53.22
CC(COC1=CC=CC=C1)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006464864	0	54	0.0	-70.07	418.18	11.58	-58.49
CC(COC1=CC=CC=C1)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006464864	1	54	0.0	-71.22	420.02	11.68	-59.54
CC(COC1=CC=CC=C1)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300006464865	0	55	0.0	-80.84	418.83	11.09	-69.75
CC(COC1=CC=CC=C1)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300006464889	0	58	0.0	-71.90	411.77	8.83	-63.07
CCC(C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[NH+](CC)CC	REAL300006464893	0	52	0.0	-58.66	381.18	9.34	-49.32
CC(C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006464895	0	53	0.0	-62.48	409.00	11.16	-51.32
CC(C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006464895	1	53	0.0	-66.76	409.80	11.16	-55.60
C[NH+](C)CC1=CC=C(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300006464915	0	49	0.0	-82.58	388.96	8.85	-73.73
CCC[NH+](CCC)CCCC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006464919	0	58	0.0	-72.93	433.11	11.13	-61.80
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006464928	1	48	0.0	-61.61	380.68	9.91	-51.70
CC(COC1=CC=CC=C1)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300006464943	0	54	0.0	-88.69	417.98	11.87	-76.82
CC(COC1=CC=CC=C1)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300006464948	0	57	0.0	-77.84	434.73	12.57	-65.27
C[NH+](C)CC1(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006464951	0	47	0.0	-78.13	366.77	9.04	-69.09
C[NH+](C)CCCCC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006464959	0	49	0.0	-78.28	380.39	9.35	-68.93
CC1=C(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006464980	1	48	0.0	-84.67	390.77	9.04	-75.63
CC(COC1=CC=CC=C1)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300006464983	0	57	0.0	-87.91	434.42	12.52	-75.39
CC(COC1=CC=CC=C1)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300006464994	1	50	0.0	-81.77	398.43	9.34	-72.43
C[NH+](C)CCC1=CC=C(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006464995	0	53	0.0	-92.52	415.66	11.56	-80.96
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465000	1	46	0.0	-63.20	364.32	8.19	-55.01
CC(COC1=CC=CC=C1)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006465001	1	55	0.0	-84.70	429.11	10.86	-73.84
CC(COC1=CC=CC=C1)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006465001	1	55	0.0	-79.09	422.08	10.65	-68.44
CCC[N@H+](C)CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465008	0	46	0.0	-63.41	354.26	8.55	-54.86
CCC[N@@H+](C)CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465008	1	46	0.0	-63.41	354.26	8.54	-54.87
C[N@H+](CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CCC1	REAL300006465022	0	47	0.0	-60.50	361.25	9.11	-51.39
C[N@@H+](CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CCC1	REAL300006465022	1	47	0.0	-61.78	361.16	9.10	-52.68
C[N@H+](CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])CC(C)(C)C	REAL300006465048	0	52	0.0	-62.88	382.86	9.56	-53.32
C[N@@H+](CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])CC(C)(C)C	REAL300006465048	1	52	0.0	-62.51	384.81	9.68	-52.83
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465050	0	53	0.0	-65.65	414.17	11.57	-54.08
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465050	1	53	0.0	-65.62	414.16	11.57	-54.05
COCCOCC[N@H+](C)CCC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465051	0	57	0.0	-69.92	443.19	7.82	-62.10
COCCOCC[N@@H+](C)CCC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465051	1	57	0.0	-71.05	443.21	7.82	-63.23
CC[C@@H](C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[NH+](C)C	REAL300006465054	0	46	0.0	-62.53	345.27	8.04	-54.49
C[N@@H+]1CCCC(O)(CC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006465056	0	51	0.0	-61.24	375.63	6.92	-54.32
C[N@H+]1CCCC(O)(CC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006465056	1	51	0.0	-72.08	372.76	7.02	-65.06
CCCCCC[N@H+](C)CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465068	0	55	0.0	-64.26	418.76	10.89	-53.37
CCCCCC[N@@H+](C)CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465068	1	55	0.0	-64.34	418.76	10.88	-53.46
CC(COC1=CC=CC=C1)(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300006465082	1	42	0.0	-83.07	345.45	10.75	-72.32
C[N@H+](CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CCSC1	REAL300006465092	0	48	0.0	-66.31	375.75	9.36	-56.95
C[N@@H+](CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CCSC1	REAL300006465092	1	48	0.0	-69.01	374.37	9.35	-59.66
CC(C)[NH+]1CCN(CCC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006465107	0	58	0.0	-75.16	430.38	8.38	-66.78
CC(C)N1CC[NH+](CCC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006465107	1	58	0.0	-70.16	426.69	8.18	-61.98
CC(C)[NH+]1CCN(CCCC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006465108	0	61	0.0	-74.54	451.88	9.19	-65.35
CC(C)N1CC[NH+](CCCC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006465108	1	61	0.0	-73.81	448.19	8.97	-64.84
CC(COC1=CC=CC=C1)(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300006465109	0	51	0.0	-57.16	379.45	9.97	-47.19
CC(COC1=CC=CC=C1)(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300006465109	1	51	0.0	-57.08	379.41	9.97	-47.11
C[NH+](C)CCN1C=C(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300006465111	0	50	0.0	-84.16	399.32	8.74	-75.42
CC(COC1=CC=CC=C1)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006465116	0	56	0.0	-70.69	424.84	10.76	-59.93
CC(COC1=CC=CC=C1)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006465116	1	56	0.0	-68.12	421.98	10.67	-57.45
CC(C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006465121	1	54	0.0	-63.90	410.07	11.69	-52.21
CC(C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006465121	1	54	0.0	-64.36	410.06	11.69	-52.67
CC(COC1=CC=CC=C1)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006465136	0	57	0.0	-78.20	440.06	12.39	-65.81
CC(COC1=CC=CC=C1)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006465136	1	57	0.0	-77.51	437.97	12.34	-65.17
C[NH+](C)CCN1C=CC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300006465149	0	50	0.0	-93.60	399.70	8.76	-84.84
C[NH+](C)CCN1N=CC=C1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465150	0	50	0.0	-59.89	394.70	8.66	-51.23
C[C@@H]1[C@H](C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006465152	0	47	0.0	-72.24	346.45	8.06	-64.18
C[C@@H]1[C@H](C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300006465152	1	47	0.0	-67.26	350.96	8.38	-58.88
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465153	1	51	0.0	-66.32	400.98	10.34	-55.98
CC[C@@H]1[C@@H](C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006465156	0	50	0.0	-74.94	371.97	8.83	-66.11
CC[C@@H]1[C@@H](C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300006465156	1	50	0.0	-74.28	376.91	9.18	-65.10
CC1C[N@H+](C)CC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])O1	REAL300006465163	1	48	0.0	-85.96	366.86	8.00	-77.96
CC1C[N@@H+](C)CC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])O1	REAL300006465163	1	48	0.0	-79.01	366.87	8.01	-71.00
CC(COC1=CC=CC=C1)(NC(=O)C[NH+]1CCCC1)C(=O)[O-]	REAL300006465170	0	44	0.0	-62.27	338.98	8.15	-54.12
CC1=[NH+]C=CN1CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465172	1	42	0.0	-61.37	344.46	8.85	-52.52
CC(C[NH+]1CCOCC1)C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465174	1	51	0.0	-70.58	386.34	7.93	-62.65
CC1CC[NH+](CC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006465193	0	50	0.0	-63.69	377.99	9.63	-54.06
CC[N@@H+]1CCOC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006465204	1	48	0.0	-58.13	360.94	7.75	-50.38
CC[N@H+]1CCOC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006465204	1	48	0.0	-77.56	370.19	7.94	-69.62
CC(COC1=CC=CC=C1)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006465233	0	57	0.0	-69.58	420.49	11.11	-58.47
CC(COC1=CC=CC=C1)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006465233	1	57	0.0	-68.28	419.67	11.06	-57.22
C[N@@H+]1CCCC1CCC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465239	0	50	0.0	-73.58	382.40	9.69	-63.89
C[N@H+]1CCCC1CCC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465239	1	50	0.0	-72.96	376.97	9.23	-63.73
CC(COC1=CC=CC=C1)(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300006465250	0	51	0.0	-59.59	382.84	10.17	-49.42
CC(COC1=CC=CC=C1)(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300006465250	1	51	0.0	-61.17	382.57	10.08	-51.09
CC[NH+](CC)CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465270	0	46	0.0	-63.11	351.13	8.49	-54.62
CC(C)[NH+]1CCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006465272	0	53	0.0	-76.37	390.27	9.81	-66.56
CC(COC1=CC=CC=C1)(NC(=O)C12CC[NH+](CC1)C2)C(=O)[O-]	REAL300006465339	0	45	0.0	-75.30	346.65	7.75	-67.55
CCC(C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[NH+](C)C	REAL300006465342	0	46	0.0	-58.09	345.69	8.03	-50.06
CC(COC1=CC=CC=C1)(NC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300006465349	0	48	0.0	-73.22	356.60	8.42	-64.80
CC(COC1=CC=CC=C1)(NC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300006465349	1	48	0.0	-73.13	357.15	8.36	-64.77
CC1CCC(C)[NH+]1CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465385	0	50	0.0	-60.30	372.07	9.03	-51.27
C[NH+](C)CC1=CC=CC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=C1	REAL300006465386	0	50	0.0	-80.90	393.22	10.72	-70.18
CC(COC1=CC=CC=C1)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006465387	0	57	0.0	-61.90	427.09	12.43	-49.47
CC(COC1=CC=CC=C1)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006465387	1	57	0.0	-69.45	436.10	12.39	-57.06
C#CC[NH+]1CCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006465438	0	49	0.0	-79.14	384.80	10.07	-69.07
CC[NH+]1CCN(CCC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006465440	0	55	0.0	-79.54	412.48	7.71	-71.83
CCN1CC[NH+](CCC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006465440	1	55	0.0	-70.15	413.64	7.86	-62.29
CC(C)[N@H+](C)CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465441	0	46	0.0	-60.62	349.45	8.32	-52.30
CC(C)[N@@H+](C)CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465441	1	46	0.0	-60.61	349.44	8.33	-52.28
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465446	1	51	0.0	-65.64	400.47	10.36	-55.28
CC[N@H+](CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300006465453	0	47	0.0	-61.49	361.38	9.10	-52.39
CC[N@@H+](CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300006465453	1	47	0.0	-63.16	356.42	8.98	-54.18
CC(C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006465478	0	53	0.0	-62.19	386.12	9.98	-52.21
C[N@@H+]1CCC[C@H]1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465482	0	44	0.0	-62.74	340.70	8.15	-54.59
C[N@H+]1CCC[C@H]1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465482	1	44	0.0	-68.20	335.04	7.67	-60.53
CC(C)(C)[NH2+]CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465549	0	46	0.0	-61.66	353.98	6.94	-54.72
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])O1	REAL300006465551	0	53	0.0	-82.32	415.21	10.44	-71.88
CC(COC1=CC=CC=C1)(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300006465552	0	53	0.0	-76.25	406.35	10.52	-65.73
CC1=CC=C(N2CCC(C(=O)NC(C)(COC3=CC=CC=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300006465554	1	56	0.0	-76.22	429.05	10.29	-65.93
C[N@H+](CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300006465555	1	50	0.0	-66.99	391.68	10.72	-56.27
C[N@@H+](CC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300006465555	1	50	0.0	-66.95	391.74	10.72	-56.23
CC(COC1=CC=CC=C1)(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006465580	1	45	0.0	-82.82	374.33	8.69	-74.13
C[NH+](C)CC1=CC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=NO1	REAL300006465602	1	46	0.0	-82.43	374.14	8.28	-74.15
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465606	0	57	0.0	-74.65	439.76	12.23	-62.42
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465606	1	57	0.0	-70.55	430.38	11.98	-58.57
CC(C)[N@@H+]1CCCC1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465618	0	50	0.0	-60.75	373.25	9.22	-51.53
CC(C)[N@H+]1CCCC1C(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300006465618	1	50	0.0	-66.71	363.24	9.11	-57.60
C[NH+]1CCC(OCC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006465635	0	51	0.0	-84.17	394.98	8.93	-75.24
CC(COC1=CC=CC=C1)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300006465639	0	54	0.0	-83.91	421.16	10.94	-72.97
CCC[N@@H+]1CCCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006465784	0	53	0.0	-56.89	389.66	10.26	-46.63
CCC[N@H+]1CCCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006465784	1	53	0.0	-56.89	389.69	10.27	-46.62
CC(COC1=CC=CC=C1)(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300006465809	1	51	0.0	-64.32	388.82	6.32	-58.00
CC(C)[N@@H+]1CCCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006465984	0	53	0.0	-68.05	393.93	10.00	-58.05
CC(C)[N@H+]1CCCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006465984	1	53	0.0	-69.46	393.94	10.00	-59.46
C[N@@H+]1CC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006465985	0	47	0.0	-78.98	364.35	8.45	-70.53
C[N@H+]1CC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006465985	1	47	0.0	-78.42	366.16	9.23	-69.19
CC1=C(C)[NH+]=C(CCC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])N1	REAL300006466009	1	48	0.0	-65.83	385.26	8.49	-57.34
C[NH+](C)CCC1=CC=CC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=C1	REAL300006466395	0	53	0.0	-82.00	415.67	11.55	-70.45
C[NH+](C)CCOC1=CC=C(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006466402	0	54	0.0	-89.75	422.95	10.51	-79.24
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006466516	0	47	0.0	-70.30	364.58	8.93	-61.37
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006466520	0	53	0.0	-73.35	387.32	9.80	-63.55
CC1=[NH+]C=C2C=CC(C(=O)NC(C)(COC3=CC=CC=C3)C(=O)[O-])=CN21	REAL300006466524	0	45	0.0	-71.49	366.61	10.50	-60.99
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006466573	0	56	0.0	-68.12	416.21	10.92	-57.20
CC(C)C[N@H+]1CCCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006466573	1	56	0.0	-69.43	416.19	10.91	-58.52
CC[N@@H+]1CCCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006466574	0	50	0.0	-56.89	368.14	9.52	-47.37
CC[N@H+]1CCCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006466574	1	50	0.0	-68.53	377.26	9.48	-59.05
C[N@@H+]1CCCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006466579	0	47	0.0	-56.49	350.52	8.87	-47.62
C[N@H+]1CCCC(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300006466579	1	47	0.0	-70.70	359.60	8.82	-61.88
C[NH+](C)CC1=CC=C(C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])O1	REAL300006466581	1	47	0.0	-86.06	379.59	9.06	-77.00
CC(COC1=CC=CC=C1)(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300006466589	1	49	0.0	-67.76	371.98	9.85	-57.91
CC(COC1=CC=CC=C1)(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300006466589	1	49	0.0	-68.08	366.34	10.23	-57.85
CCN(CCOCCOC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006466641	0	50	0.0	-46.13	381.08	6.79	-39.34
CCN(CCOCCOC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006466641	1	50	0.0	-46.66	381.67	6.81	-39.85
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC(Cl)=CC=C2Cl)C1	REAL300006466743	0	47	0.0	-48.17	386.88	11.76	-36.41
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC(Cl)=CC=C2Cl)C1	REAL300006466743	1	47	0.0	-49.14	380.66	11.72	-37.42
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C1	REAL300006466777	0	41	0.0	-80.20	330.46	9.39	-70.81
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C1	REAL300006466777	1	41	0.0	-80.30	330.20	9.40	-70.90
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=CC(OCC(=O)[O-])=C3)C=C2C1	REAL300006466778	0	45	0.0	-87.53	361.27	9.68	-77.85
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=CC(OCC(=O)[O-])=C3)C=C2C1	REAL300006466778	1	45	0.0	-87.02	361.30	9.67	-77.35
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C1	REAL300006466779	0	41	0.0	-90.96	330.20	9.41	-81.55
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C1	REAL300006466779	1	41	0.0	-90.39	330.22	9.40	-80.99
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])S3)C=C2C1	REAL300006466780	0	38	0.0	-74.38	324.75	8.55	-65.83
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])S3)C=C2C1	REAL300006466780	1	38	0.0	-74.38	324.79	8.55	-65.83
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=CC(C(=O)[O-])=N3)C=C2C1	REAL300006466781	0	40	0.0	-71.66	328.30	7.69	-63.97
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=CC(C(=O)[O-])=N3)C=C2C1	REAL300006466781	1	40	0.0	-71.67	328.31	7.68	-63.99
CC(SC1=CC=CC=C1C(=O)NC1=CC=C2CC[N@H+](C)CC2=C1)C(=O)[O-]	REAL300006466782	0	48	0.0	-89.35	382.51	11.14	-78.21
CC(SC1=CC=CC=C1C(=O)NC1=CC=C2CC[N@@H+](C)CC2=C1)C(=O)[O-]	REAL300006466782	1	48	0.0	-88.07	385.29	11.24	-76.83
CCOC1=CC(C(=O)NC2=CC=C3CC[N@H+](C)CC3=C2)=CC=C1OCC(=O)[O-]	REAL300006466783	0	52	0.0	-85.16	412.28	10.35	-74.81
CCOC1=CC(C(=O)NC2=CC=C3CC[N@@H+](C)CC3=C2)=CC=C1OCC(=O)[O-]	REAL300006466783	1	52	0.0	-85.27	412.56	10.35	-74.92
C[N@@H+]1CCC2=CC=C(NC(=O)CCC3=CC=C(C(=O)[O-])C=C3)C=C2C1	REAL300006466784	0	47	0.0	-84.34	376.55	10.89	-73.45
C[N@H+]1CCC2=CC=C(NC(=O)CCC3=CC=C(C(=O)[O-])C=C3)C=C2C1	REAL300006466784	1	47	0.0	-84.27	376.26	10.90	-73.37
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=NC(C(=O)[O-])=C3)C=C2C1	REAL300006466785	0	40	0.0	-92.73	326.58	7.63	-85.10
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=NC(C(=O)[O-])=C3)C=C2C1	REAL300006466785	1	40	0.0	-92.67	326.30	7.63	-85.04
C[N@@H+]1CCC2=CC=C(NC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)C=C2C1	REAL300006466786	0	45	0.0	-84.24	364.98	10.59	-73.65
C[N@H+]1CCC2=CC=C(NC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)C=C2C1	REAL300006466786	1	45	0.0	-83.98	364.98	10.58	-73.40
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C2C1	REAL300006466787	0	43	0.0	-68.25	358.66	10.07	-58.18
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C2C1	REAL300006466787	1	43	0.0	-67.77	358.38	10.07	-57.70
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C2C1	REAL300006466788	0	43	0.0	-68.25	358.66	10.07	-58.18
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C2C1	REAL300006466788	1	43	0.0	-67.77	358.38	10.07	-57.70
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2=CC=C3CC[N@@H+](C)CC3=C2)C=C1	REAL300006466789	0	51	0.0	-84.68	405.47	10.95	-73.73
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2=CC=C3CC[N@H+](C)CC3=C2)C=C1	REAL300006466789	1	51	0.0	-84.86	405.21	10.96	-73.90
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)C=C2C1	REAL300006466790	0	48	0.0	-96.30	386.56	10.87	-85.43
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)C=C2C1	REAL300006466790	1	48	0.0	-81.70	388.37	10.44	-71.26
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])O3)C=C2C1	REAL300006466791	0	38	0.0	-71.00	316.89	7.79	-63.21
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])O3)C=C2C1	REAL300006466791	1	38	0.0	-71.16	316.89	7.78	-63.38
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C[N@H+](CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1CCSC1	REAL300006470034	0	44	0.0	-66.12	368.16	9.13	-56.99
C[N@@H+](CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1CCSC1	REAL300006470034	1	44	0.0	-68.69	368.16	9.12	-59.57
CC(C)[NH+]1CCN(CCC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006470050	0	54	0.0	-72.85	423.93	8.12	-64.73
CC(C)N1CC[NH+](CCC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006470050	1	54	0.0	-68.75	419.65	7.89	-60.86
CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006470051	0	57	0.0	-74.00	445.66	8.86	-65.14
CC(C)N1CC[NH+](CCCC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006470051	1	57	0.0	-71.88	441.15	8.69	-63.19
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006470052	0	47	0.0	-57.15	373.23	9.73	-47.42
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1CCCC2CCC[N@H+]21	REAL300006470052	1	47	0.0	-51.97	356.01	9.63	-42.34
C[NH+](C)CCN1C=C(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C=N1	REAL300006470054	0	46	0.0	-81.81	392.89	8.45	-73.36
CC(C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006470068	1	50	0.0	-62.35	404.28	11.39	-50.96
CC(C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006470068	1	50	0.0	-50.97	400.69	11.55	-39.42
CCCC(C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[NH+](C)C	REAL300006470087	0	45	0.0	-63.08	360.48	8.72	-54.36
C[NH+](C)CCN1C=CC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300006470102	0	46	0.0	-89.36	393.28	8.46	-80.90
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470103	0	46	0.0	-59.76	388.43	8.35	-51.41
C[C@@H]1[C@H](C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC[N@@H+]1C	REAL300006470106	0	43	0.0	-77.48	345.45	7.87	-69.61
C[C@@H]1[C@H](C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC[N@H+]1C	REAL300006470106	1	43	0.0	-75.70	351.02	8.21	-67.49
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470108	1	47	0.0	-65.11	394.77	10.10	-55.01
CC[C@@H]1[C@@H](C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC[N@@H+]1C	REAL300006470111	0	46	0.0	-67.54	360.03	8.82	-58.72
CC[C@@H]1[C@@H](C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC[N@H+]1C	REAL300006470111	1	46	0.0	-63.62	363.48	9.33	-54.29
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470114	1	42	0.0	-62.12	354.61	8.71	-53.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470114	1	42	0.0	-53.69	355.59	9.42	-44.27
CC1C[N@H+](C)CC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])O1	REAL300006470120	1	44	0.0	-68.32	354.37	7.89	-60.43
CC1C[N@@H+](C)CC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])O1	REAL300006470120	1	44	0.0	-66.21	354.90	8.30	-57.91
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C[NH+]1CCCC1	REAL300006470128	0	40	0.0	-62.67	334.30	8.02	-54.65
CC1=[NH+]C=CN1CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470130	1	38	0.0	-61.17	338.25	8.50	-52.67
CC(C[NH+]1CCOCC1)C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470132	0	47	0.0	-69.95	379.32	7.66	-62.29
CC1CC[NH+](CC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006470151	0	46	0.0	-62.52	370.55	9.41	-53.11
CC[N@@H+]1CCOC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300006470162	1	44	0.0	-75.07	363.16	8.02	-67.05
CC[N@H+]1CCOC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300006470162	1	44	0.0	-83.34	363.97	8.00	-75.34
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006470198	0	53	0.0	-65.54	414.05	10.86	-54.68
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006470198	1	53	0.0	-69.81	412.62	10.81	-59.00
C[N@@H+]1CCCC1CCC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470204	0	46	0.0	-66.72	370.22	9.69	-57.03
C[N@H+]1CCCC1CCC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470204	1	46	0.0	-64.19	364.17	9.20	-54.99
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C12CCC[NH+](CCC1)C2	REAL300006470216	0	47	0.0	-73.13	366.21	9.08	-64.05
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470218	1	44	0.0	-73.05	350.15	5.06	-67.99
C[N@H+]1CC(O)CC1(C)C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470218	1	44	0.0	-62.35	345.28	5.25	-57.10
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006470219	0	47	0.0	-55.25	364.73	9.63	-45.62
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1CCC2CCCC[N@H+]21	REAL300006470219	1	47	0.0	-58.79	368.71	9.41	-49.38
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470226	0	50	0.0	-61.12	389.63	7.97	-53.15
CC[NH+](CC)CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470241	0	42	0.0	-60.83	344.68	8.30	-52.53
CC(C)[NH+]1CCC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006470243	0	49	0.0	-72.80	387.45	9.79	-63.01
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C12CC[NH+](CC1)C2	REAL300006470323	0	41	0.0	-75.00	340.33	7.43	-67.57
CCC(C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[NH+](C)C	REAL300006470326	0	42	0.0	-57.96	338.97	7.94	-50.02
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C12CC[N@H+](C1)CCC2	REAL300006470334	0	44	0.0	-65.74	343.13	8.30	-57.44
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300006470334	1	44	0.0	-67.03	344.45	8.41	-58.62
CC1CCC(C)[NH+]1CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470378	0	46	0.0	-60.57	365.94	8.90	-51.67
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300006470379	0	46	0.0	-77.47	386.97	10.36	-67.11
C[NH+](C)C1(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CCC1	REAL300006470415	0	43	0.0	-53.15	330.80	8.66	-44.49
C#CC[NH+]1CCC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006470441	0	45	0.0	-76.55	377.81	9.76	-66.79
CCC[N@@H+]1CCCCC1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470443	0	49	0.0	-54.14	384.34	10.13	-44.01
CCC[N@H+]1CCCCC1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470443	1	49	0.0	-62.20	377.24	9.67	-52.53
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470444	0	46	0.0	-55.76	379.14	10.73	-45.03
CC[NH+]1CCN(CCC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006470446	0	51	0.0	-77.23	405.43	7.42	-69.81
CCN1CC[NH+](CCC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006470446	1	51	0.0	-68.71	406.59	7.57	-61.14
CC(C)[N@H+](C)CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470447	0	42	0.0	-59.91	343.00	8.15	-51.76
CC(C)[N@@H+](C)CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470447	1	42	0.0	-61.24	343.23	8.10	-53.14
CC(C)C(C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[NH+]1CCCCC1	REAL300006470448	0	52	0.0	-61.44	397.84	10.32	-51.12
C[NH+](C)C(C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1=CC=CC=C1	REAL300006470449	1	46	0.0	-63.23	383.47	10.37	-52.86
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470457	1	47	0.0	-63.74	393.39	10.08	-53.66
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006470464	0	50	0.0	-53.79	385.18	10.71	-43.08
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006470464	1	50	0.0	-64.52	393.91	10.31	-54.21
CC[N@H+](CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1CC1	REAL300006470466	0	43	0.0	-59.53	357.42	8.91	-50.62
CC[N@@H+](CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1CC1	REAL300006470466	1	43	0.0	-58.86	352.78	8.69	-50.17
CC(C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[NH+]1CCCCCC1	REAL300006470492	0	49	0.0	-59.46	378.85	9.31	-50.15
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470495	0	40	0.0	-55.26	329.01	8.18	-47.08
C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470495	1	40	0.0	-65.81	328.01	7.48	-58.33
CC(C)(C)[NH2+]CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470574	0	42	0.0	-61.46	347.77	6.62	-54.84
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])O1	REAL300006470576	0	49	0.0	-78.82	409.17	10.07	-68.75
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)CCCC[NH+]1CCCC1	REAL300006470577	0	49	0.0	-74.95	400.14	10.20	-64.75
C[N@H+](CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])CC1=CC=CC=C1	REAL300006470579	1	46	0.0	-65.98	385.23	10.54	-55.44
C[N@@H+](CC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])CC1=CC=CC=C1	REAL300006470579	1	46	0.0	-66.90	385.53	10.48	-56.42
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[NH+](C)C	REAL300006470589	0	45	0.0	-66.23	356.13	9.08	-57.15
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006470607	1	41	0.0	-80.84	368.11	8.33	-72.51
C[NH+](C)CC1=CC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=NO1	REAL300006470631	1	42	0.0	-79.48	366.07	7.90	-71.58
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470645	0	46	0.0	-52.05	364.09	9.38	-42.67
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470645	1	46	0.0	-59.31	366.34	8.95	-50.36
C[NH+]1CCC(OCC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006470666	0	47	0.0	-80.66	388.53	9.04	-71.62
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006470670	0	50	0.0	-80.27	413.66	10.55	-69.72
CCC[N@@H+]1CCCC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300006470840	0	49	0.0	-68.50	392.57	9.91	-58.59
CCC[N@H+]1CCCC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300006470840	1	49	0.0	-69.22	391.70	9.94	-59.28
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470868	0	49	0.0	-60.45	392.37	10.01	-50.44
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300006470868	1	49	0.0	-53.79	387.75	10.33	-43.46
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006470869	1	47	0.0	-64.73	381.39	6.10	-58.63
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300006471076	0	49	0.0	-66.58	386.88	9.71	-56.87
CC(C)[N@H+]1CCCC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300006471076	1	49	0.0	-60.39	380.60	9.93	-50.46
C[N@@H+]1CC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C(C(F)(F)F)C1	REAL300006471077	0	43	0.0	-71.52	354.74	8.72	-62.80
C[N@H+]1CC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C(C(F)(F)F)C1	REAL300006471077	1	43	0.0	-55.80	360.48	8.66	-47.14
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])N1	REAL300006471100	1	44	0.0	-64.84	379.06	8.16	-56.68
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300006471549	0	49	0.0	-79.42	408.63	11.24	-68.18
C[NH+](C)CCOC1=CC=C(C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300006471555	0	50	0.0	-86.43	416.75	10.18	-76.25
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300006471687	0	43	0.0	-74.81	358.33	8.67	-66.14
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300006471691	0	49	0.0	-71.31	380.87	9.64	-61.67
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H](CC3=CC=C(F)C=C3F)C(=O)[O-])=CN12	REAL300006471695	0	41	0.0	-69.27	359.57	10.22	-59.05
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CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300006476991	1	49	0.0	-68.33	376.25	9.17	-59.16
C[N@@H+]1CC(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300006476992	0	43	0.0	-75.67	360.93	8.19	-67.48
C[N@H+]1CC(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300006476992	1	43	0.0	-75.61	361.02	8.20	-67.41
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC=C(CC(=O)[O-])C=C2)N1	REAL300006477017	1	44	0.0	-66.01	367.58	7.67	-58.34
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300006477521	0	49	0.0	-75.79	397.99	10.71	-65.08
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300006477529	0	50	0.0	-77.00	405.29	9.65	-67.35
O=C([O-])CC1=CC=C(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300006477630	0	56	0.0	-71.58	437.05	12.32	-59.26
CC1CN(CC2=CC=C(C(=O)NCC3=CC=C(CC(=O)[O-])C=C3)C=C2)CCO1	REAL300006477632	0	54	0.0	-79.76	422.85	10.04	-69.72
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=CC=C(CC(=O)[O-])C=C3)C=C2)CCO1	REAL300006477632	1	54	0.0	-79.94	422.91	10.04	-69.90
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=CC=C(CC(=O)[O-])C=C3)C=C2)CCO1	REAL300006477632	1	54	0.0	-79.94	422.91	10.04	-69.90
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300006477679	0	49	0.0	-67.94	369.64	9.07	-58.87
CC1=[NH+]C=C2C=CC(C(=O)NCC3=CC=C(CC(=O)[O-])C=C3)=CN21	REAL300006477683	0	41	0.0	-67.81	348.93	9.65	-58.16
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300006477746	0	52	0.0	-69.38	398.55	10.09	-59.29
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300006477746	1	52	0.0	-65.23	392.25	10.28	-54.95
CC[N@@H+]1CCCC(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300006477747	0	46	0.0	-69.50	359.59	8.65	-60.85
CC[N@H+]1CCCC(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300006477747	1	46	0.0	-69.49	359.57	8.65	-60.84
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)O1	REAL300006477753	1	43	0.0	-76.23	361.92	8.19	-68.04
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300006477759	0	52	0.0	-74.32	379.72	9.06	-65.26
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300006477759	1	52	0.0	-73.29	387.33	9.49	-63.80
O=C([O-])CC1=CC=C(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300006477762	1	45	0.0	-67.30	354.61	9.89	-57.41
CN(CC1=CC=C(CN2C=CN=C2)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006477845	0	53	0.0	-52.95	416.97	12.75	-40.20
CN(CC1=CC=C(CN2C=CN=C2)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006477845	1	53	0.0	-50.06	409.77	12.29	-37.77
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1=NOC2=C1CCCCC2	REAL300006478020	0	49	0.0	-49.93	369.13	7.92	-42.01
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1=NOC2=C1CCCCC2	REAL300006478020	1	49	0.0	-46.91	362.90	7.89	-39.02
CC12CCCCC1N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CCC2	REAL300006478127	0	53	0.0	-45.87	351.87	10.32	-35.55
CC12CCCCC1N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CCC2	REAL300006478127	1	53	0.0	-42.21	349.94	9.86	-32.35
CSC1=CC=C(Br)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006478224	1	41	0.0	-48.74	348.63	9.04	-39.70
CSC1=CC=C(Br)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006478224	1	41	0.0	-48.57	344.04	9.10	-39.47
CCN(CCOC(C)(C)C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006478334	0	52	0.0	-44.02	381.77	8.67	-35.35
CCN(CCOC(C)(C)C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006478334	1	52	0.0	-44.70	382.35	8.70	-36.00
COC1=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=CC(Br)=C1C(=O)[O-]	REAL300006479109	0	45	0.0	-85.23	366.43	9.12	-76.11
COC1=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=CC(Br)=C1C(=O)[O-]	REAL300006479123	1	42	0.0	-77.03	348.18	8.54	-68.49
COC1=CC(NC(=O)C2CCC[N@H+]2C2CC2)=CC(Br)=C1C(=O)[O-]	REAL300006479123	1	42	0.0	-82.21	343.39	7.94	-74.27
COC1=CC(NC(=O)C[NH+](C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479157	1	34	0.0	-84.49	292.79	6.06	-78.43
COC1=CC(NC(=O)C2CCCC[N@@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479158	1	41	0.0	-79.30	334.72	7.65	-71.65
COC1=CC(NC(=O)C2CCCC[N@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479158	1	41	0.0	-78.96	334.52	7.68	-71.28
COC1=CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479177	1	41	0.0	-81.01	325.23	7.45	-73.56
COC1=CC(NC(=O)[C@@H]2CCCC[N@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479177	1	41	0.0	-79.00	334.39	7.66	-71.34
COC1=CC(NC(=O)C2CC[NH+](C)CC2)=CC(Br)=C1C(=O)[O-]	REAL300006479195	0	41	0.0	-88.14	337.14	7.71	-80.43
COC1=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC(Br)=C1C(=O)[O-]	REAL300006479213	0	36	0.0	-83.00	322.65	9.58	-73.42
COC1=CC(NC(=O)C2CCC[N@@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479238	1	38	0.0	-79.70	318.82	7.11	-72.59
COC1=CC(NC(=O)C2CCC[N@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479238	1	38	0.0	-78.94	318.19	7.01	-71.93
COC1=CC(NC(=O)C2CC[NH+](C)CC2)=CC(Br)=C1C(=O)[O-]	REAL300006479267	0	41	0.0	-88.14	337.14	7.71	-80.43
COC1=CC(NC(=O)CCCN2C=C[NH+]=C2C)=CC(Br)=C1C(=O)[O-]	REAL300006479289	1	42	0.0	-80.35	363.45	8.96	-71.39
COC1=CC(NC(=O)[C@H](C)[NH+](C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479293	0	37	0.0	-81.38	310.83	6.49	-74.89
COC1=CC(NC(=O)[C@H]2CCC[N@@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479294	1	38	0.0	-79.67	317.77	7.12	-72.55
COC1=CC(NC(=O)[C@H]2CCC[N@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479294	1	38	0.0	-82.09	312.61	6.63	-75.46
COC1=CC(NC(=O)[C@@H](C)[NH+](C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479298	0	37	0.0	-81.45	310.58	6.49	-74.96
COC1=CC(NC(=O)C2([NH+](C)C)CC2)=CC(Br)=C1C(=O)[O-]	REAL300006479306	1	38	0.0	-84.78	321.96	7.25	-77.53
CCC(C(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1)[NH+](CC)CC	REAL300006479353	0	46	0.0	-75.82	358.16	8.37	-67.45
COC1=CC(NC(=O)CN2C=C[NH+]=C2C(C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479370	1	42	0.0	-77.89	358.46	8.79	-69.10
COC1=CC(NC(=O)C2(C[NH+](C)C)CC2)=CC(Br)=C1C(=O)[O-]	REAL300006479377	0	41	0.0	-82.89	342.84	7.79	-75.10
COC1=CC(NC(=O)CCCC[NH+](C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479381	0	43	0.0	-85.06	358.15	8.20	-76.86
COC1=CC(NC(=O)C(C(C)C)[NH+](C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479390	0	43	0.0	-81.79	342.47	8.16	-73.63
CCC[N@H+](C)CC(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1	REAL300006479406	0	40	0.0	-83.98	332.02	7.48	-76.50
CCC[N@@H+](C)CC(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1	REAL300006479406	1	40	0.0	-84.11	331.72	7.49	-76.62
COC1=CC(NC(=O)C[N@H+](C)C2CCC2)=CC(Br)=C1C(=O)[O-]	REAL300006479418	0	41	0.0	-81.74	338.73	8.07	-73.67
COC1=CC(NC(=O)C[N@@H+](C)C2CCC2)=CC(Br)=C1C(=O)[O-]	REAL300006479418	1	41	0.0	-81.21	338.89	8.04	-73.17
COC1=CC(NC(=O)C[N@H+](C)CC(C)(C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479428	0	46	0.0	-83.57	362.91	8.63	-74.94
COC1=CC(NC(=O)C[N@@H+](C)CC(C)(C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479428	1	46	0.0	-83.74	361.14	8.47	-75.27
CC[C@@H](C(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1)[NH+](C)C	REAL300006479430	0	40	0.0	-80.89	326.63	7.53	-73.36
COC1=CC(NC(=O)C23CCC[NH+]2CCC3)=CC(Br)=C1C(=O)[O-]	REAL300006479454	0	42	0.0	-82.68	337.61	8.03	-74.65
COC1=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC(Br)=C1C(=O)[O-]	REAL300006479460	1	36	0.0	-88.25	323.22	9.58	-78.67
COC1=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=CC(Br)=C1C(=O)[O-]	REAL300006479475	0	45	0.0	-79.72	349.11	8.59	-71.13
COC1=CC(NC(=O)C2CCCC3CCC[N@H+]32)=CC(Br)=C1C(=O)[O-]	REAL300006479475	1	45	0.0	-79.45	348.87	8.60	-70.85
CCCC(C(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1)[NH+](C)C	REAL300006479488	0	43	0.0	-80.26	344.52	7.86	-72.40
COC1=CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479495	0	41	0.0	-85.11	330.47	7.23	-77.88
COC1=CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479495	1	41	0.0	-85.98	335.84	7.32	-78.66
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=C(C(=O)[O-])C(OC)=C2)CC[N@@H+]1C	REAL300006479498	0	44	0.0	-84.95	349.08	7.71	-77.24
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=C(C(=O)[O-])C(OC)=C2)CC[N@H+]1C	REAL300006479498	1	44	0.0	-84.43	355.02	8.05	-76.38
COC1=CC(NC(=O)C2C[N@H+](C)CC(C)O2)=CC(Br)=C1C(=O)[O-]	REAL300006479503	1	42	0.0	-94.60	344.42	6.73	-87.87
COC1=CC(NC(=O)C2C[N@@H+](C)CC(C)O2)=CC(Br)=C1C(=O)[O-]	REAL300006479503	1	42	0.0	-95.95	351.35	7.14	-88.81
COC1=CC(NC(=O)C[NH+]2CCCC2)=CC(Br)=C1C(=O)[O-]	REAL300006479507	1	38	0.0	-83.12	316.44	7.09	-76.03
COC1=CC(NC(=O)CN2C=C[NH+]=C2C)=CC(Br)=C1C(=O)[O-]	REAL300006479509	1	36	0.0	-79.01	322.22	7.68	-71.33
COC1=CC(NC(=O)C[NH+]2CCC(C)CC2)=CC(Br)=C1C(=O)[O-]	REAL300006479525	1	44	0.0	-84.65	355.74	8.54	-76.11
CC[N@@H+]1CCOC(C(=O)NC2=CC(Br)=C(C(=O)[O-])C(OC)=C2)C1	REAL300006479529	1	42	0.0	-91.53	348.27	7.08	-84.45
CC[N@H+]1CCOC(C(=O)NC2=CC(Br)=C(C(=O)[O-])C(OC)=C2)C1	REAL300006479529	1	42	0.0	-86.26	340.53	6.89	-79.37
COC1=CC(NC(=O)CCC2CCC[N@@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479541	0	44	0.0	-81.99	354.16	8.08	-73.91
COC1=CC(NC(=O)CCC2CCC[N@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479541	1	44	0.0	-86.68	356.07	8.41	-78.27
COC1=CC(NC(=O)C23CCC[NH+](CCC2)C3)=CC(Br)=C1C(=O)[O-]	REAL300006479546	0	45	0.0	-82.54	350.27	8.24	-74.30
COC1=CC(NC(=O)C2(C)CC(O)C[N@@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479547	1	42	0.0	-85.93	338.65	4.47	-81.46
COC1=CC(NC(=O)C2(C)CC(O)C[N@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479547	1	42	0.0	-85.56	341.34	4.12	-81.44
COC1=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=CC(Br)=C1C(=O)[O-]	REAL300006479548	0	45	0.0	-77.19	360.67	9.00	-68.19
COC1=CC(NC(=O)C2CCC3CCCC[N@H+]32)=CC(Br)=C1C(=O)[O-]	REAL300006479548	1	45	0.0	-77.14	360.61	8.99	-68.15
CC[NH+](CC)CC(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1	REAL300006479555	0	40	0.0	-81.95	328.61	7.39	-74.56
COC1=CC(NC(=O)C2CC[NH+](C(C)C)CC2)=CC(Br)=C1C(=O)[O-]	REAL300006479556	0	47	0.0	-85.50	368.00	8.67	-76.83
COC1=CC(NC(=O)C23CC[NH+](CC2)C3)=CC(Br)=C1C(=O)[O-]	REAL300006479590	0	39	0.0	-85.43	324.43	6.56	-78.87
CCC(C(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1)[NH+](C)C	REAL300006479593	0	40	0.0	-79.77	322.41	7.10	-72.67
COC1=CC(NC(=O)C23CC[N@H+](C2)CCC3)=CC(Br)=C1C(=O)[O-]	REAL300006479596	0	42	0.0	-84.12	334.11	7.27	-76.85
COC1=CC(NC(=O)C23CC[N@@H+](C2)CCC3)=CC(Br)=C1C(=O)[O-]	REAL300006479596	1	42	0.0	-83.90	334.45	7.28	-76.62
COC1=CC(NC(=O)C[NH+]2C(C)CCC2C)=CC(Br)=C1C(=O)[O-]	REAL300006479617	0	44	0.0	-79.40	350.10	7.93	-71.47
COC1=CC(NC(=O)C2([NH+](C)C)CCC2)=CC(Br)=C1C(=O)[O-]	REAL300006479636	0	41	0.0	-86.73	325.46	7.19	-79.54
C#CC[NH+]1CCC(C(=O)NC2=CC(Br)=C(C(=O)[O-])C(OC)=C2)CC1	REAL300006479647	0	43	0.0	-88.40	361.55	8.87	-79.53
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1	REAL300006479648	0	47	0.0	-78.45	373.34	9.09	-69.36
CCC[N@H+]1CCCCC1C(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1	REAL300006479648	1	47	0.0	-80.25	364.41	8.85	-71.40
COC1=CC(NC(=O)C[N@H+](C)C(C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479649	0	40	0.0	-81.18	326.91	7.26	-73.92
COC1=CC(NC(=O)C[N@@H+](C)C(C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479649	1	40	0.0	-81.07	327.21	7.26	-73.81
CC[N@H+](CC(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1)C1CC1	REAL300006479658	0	41	0.0	-79.76	341.39	8.09	-71.67
CC[N@@H+](CC(=O)NC1=CC(Br)=C(C(=O)[O-])C(OC)=C1)C1CC1	REAL300006479658	1	41	0.0	-81.16	338.92	8.03	-73.13
COC1=CC(NC(=O)C(C)[NH+]2CCCCCC2)=CC(Br)=C1C(=O)[O-]	REAL300006479666	0	47	0.0	-78.90	362.72	8.49	-70.41
COC1=CC(NC(=O)[C@@H]2CCC[N@@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479668	1	38	0.0	-82.11	312.81	6.61	-75.50
COC1=CC(NC(=O)[C@@H]2CCC[N@H+]2C)=CC(Br)=C1C(=O)[O-]	REAL300006479668	1	38	0.0	-79.69	318.80	7.11	-72.58
COC1=CC(NC(=O)C[NH2+]C(C)(C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479701	0	40	0.0	-82.25	331.74	5.78	-76.47
COC1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC(Br)=C1C(=O)[O-]	REAL300006479702	0	47	0.0	-83.54	384.12	9.37	-74.17
COC1=CC(NC(=O)[C@H](C(C)C)[NH+](C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479709	0	43	0.0	-81.14	340.78	8.19	-72.95
COC1=CC(NC(=O)C2=NOC(C[NH+](C)C)=C2)=CC(Br)=C1C(=O)[O-]	REAL300006479728	1	40	0.0	-87.61	351.60	7.10	-80.51
COC1=CC(NC(=O)C2CCC[N@@H+]2C(C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479735	0	44	0.0	-78.29	351.39	8.17	-70.12
COC1=CC(NC(=O)C2CCC[N@H+]2C(C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479735	1	44	0.0	-78.25	351.87	8.14	-70.11
CCC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=C(C(=O)[O-])C(OC)=C2)C1	REAL300006479810	0	47	0.0	-82.48	376.03	9.07	-73.41
CCC[N@H+]1CCCC(C(=O)NC2=CC(Br)=C(C(=O)[O-])C(OC)=C2)C1	REAL300006479810	1	47	0.0	-76.37	370.07	9.26	-67.11
COC1=CC(NC(=O)C2CCC[N@@H+]2CC(C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479822	0	47	0.0	-79.82	377.20	9.25	-70.57
COC1=CC(NC(=O)C2CCC[N@H+]2CC(C)C)=CC(Br)=C1C(=O)[O-]	REAL300006479822	1	47	0.0	-82.50	367.36	9.11	-73.39
COC1=CC(NC(=O)C2CCC[N@@H+](C(C)C)C2)=CC(Br)=C1C(=O)[O-]	REAL300006479904	0	47	0.0	-80.70	371.18	8.85	-71.85
COC1=CC(NC(=O)C2CCC[N@H+](C(C)C)C2)=CC(Br)=C1C(=O)[O-]	REAL300006479904	1	47	0.0	-75.60	365.34	9.07	-66.53
COC1=CC(NC(=O)CCC2=[NH+]C(C)=C(C)N2)=CC(Br)=C1C(=O)[O-]	REAL300006479915	1	42	0.0	-78.50	363.03	7.34	-71.16
COC1=CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)=CC(Br)=C1C(=O)[O-]	REAL300006480155	0	41	0.0	-83.58	342.04	7.79	-75.79
COC1=CC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=CC(Br)=C1C(=O)[O-]	REAL300006480159	0	47	0.0	-77.16	365.01	8.76	-68.40
CC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=C(C(=O)[O-])C(OC)=C2)C1	REAL300006480183	0	44	0.0	-76.05	348.68	8.55	-67.50
CC[N@H+]1CCCC(C(=O)NC2=CC(Br)=C(C(=O)[O-])C(OC)=C2)C1	REAL300006480183	1	44	0.0	-76.05	348.68	8.55	-67.50
COC1=CC(NC(=O)C2CCC[N@H+](C)C2)=CC(Br)=C1C(=O)[O-]	REAL300006480187	0	41	0.0	-83.61	337.63	7.67	-75.94
COC1=CC(NC(=O)C2CCC[N@@H+](C)C2)=CC(Br)=C1C(=O)[O-]	REAL300006480187	1	41	0.0	-83.61	337.63	7.67	-75.94
COC1=CC(NC(=O)C2=CC=C(CN(C)C)O2)=CC(Br)=C1C(=O)[O-]	REAL300006480189	0	41	0.0	-88.77	355.96	7.78	-80.99
COC1=CC(NC(=O)C2=CC=C(C[NH+](C)C)O2)=CC(Br)=C1C(=O)[O-]	REAL300006480189	1	41	0.0	-88.77	355.96	7.78	-80.99
COC1=CC(NC(=O)C23CC(C2)CN3C2CC2)=CC(Br)=C1C(=O)[O-]	REAL300006480192	0	43	0.0	-80.65	350.55	8.78	-71.87
COC1=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC(Br)=C1C(=O)[O-]	REAL300006480192	1	43	0.0	-83.42	349.82	9.18	-74.24
COC1=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=CC(Br)=C1C(=O)[O-]	REAL300006480192	1	43	0.0	-83.42	349.82	9.18	-74.24
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006481380	0	56	0.0	-74.75	432.85	12.43	-62.32
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300006482059	0	53	0.0	-60.94	409.58	11.31	-49.63
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006482059	1	53	0.0	-61.10	415.65	11.86	-49.24
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CC[NH+](C2CC2)CC1	REAL300006482988	0	50	0.0	-64.49	381.17	10.07	-54.42
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300006483017	0	47	0.0	-56.61	369.18	9.70	-46.91
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300006483017	1	47	0.0	-55.25	360.52	9.02	-46.23
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC=CC=C3CCC(=O)[O-])CN21	REAL300006483023	1	48	0.0	-60.85	379.41	9.94	-50.91
O=C([O-])CCC1=CC=CC=C1CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006483024	0	56	0.0	-67.46	427.16	11.89	-55.57
C[N@@H+]1CCCCC1C(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483106	0	46	0.0	-61.26	353.70	8.81	-52.45
C[N@H+]1CCCCC1C(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483106	1	46	0.0	-53.93	353.70	8.80	-45.13
CC(C(=O)NCC1=CC=CC=C1CCC(=O)[O-])N1CC[NH+](C)CC1	REAL300006483107	1	51	0.0	-67.53	385.02	7.04	-60.49
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483151	0	46	0.0	-61.30	353.74	8.79	-52.51
C[N@H+]1CCCC[C@H]1C(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483151	1	46	0.0	-63.13	344.42	8.62	-54.51
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=CC=CC=C2CCC(=O)[O-])C=C1	REAL300006483198	0	59	0.0	-75.79	465.82	11.97	-63.82
CC1(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300006483210	0	59	0.0	-56.47	445.53	12.84	-43.63
C[NH+]1CCC(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])CC1	REAL300006483244	0	46	0.0	-67.69	356.35	8.86	-58.83
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006483270	0	41	0.0	-68.00	341.93	10.70	-57.30
C[NH+](C)CC1(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])CCCCC1	REAL300006483304	0	55	0.0	-77.15	396.12	10.86	-66.29
C[N@H+](CCC(=O)NCC1=CC=CC=C1CCC(=O)[O-])C1CCCCC1	REAL300006483309	0	55	0.0	-65.60	410.17	10.80	-54.80
C[N@@H+](CCC(=O)NCC1=CC=CC=C1CCC(=O)[O-])C1CCCCC1	REAL300006483309	1	55	0.0	-64.53	410.18	10.79	-53.74
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006483327	1	56	0.0	-66.17	427.40	12.25	-53.92
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006483327	1	56	0.0	-65.36	436.80	12.41	-52.95
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006483328	1	53	0.0	-62.30	423.45	11.97	-50.33
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006483328	1	53	0.0	-65.30	422.01	11.93	-53.37
C[NH+]1CCC(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])CC1	REAL300006483380	0	46	0.0	-67.69	356.35	8.86	-58.83
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006483385	0	49	0.0	-75.74	400.99	9.83	-65.91
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006483409	0	56	0.0	-56.52	408.72	10.99	-45.53
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300006483409	1	56	0.0	-57.57	404.41	11.14	-46.43
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006483410	0	57	0.0	-72.23	423.45	9.48	-62.75
CC1=[NH+]C=CN1CCCC(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483443	1	47	0.0	-63.44	382.73	10.12	-53.32
O=C([O-])CCC1=CC=CC=C1CNC(=O)CCCC[NH+]1CCOCC1	REAL300006483444	1	53	0.0	-71.94	410.02	8.80	-63.14
CC[N@H+](CC1=CC=C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C=C1)C(C)C	REAL300006483447	0	58	0.0	-73.44	438.45	12.30	-61.14
CC[N@@H+](CC1=CC=C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C=C1)C(C)C	REAL300006483447	1	58	0.0	-73.60	429.25	11.88	-61.72
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006483495	0	53	0.0	-63.31	417.43	11.75	-51.56
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006483495	1	53	0.0	-65.59	415.31	11.63	-53.96
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006483496	0	54	0.0	-69.54	411.54	10.84	-58.70
C[NH+]1CCN(C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300006483524	1	58	0.0	-62.52	445.22	10.49	-52.03
O=C([O-])CCC1=CC=CC=C1CNC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006483525	0	57	0.0	-65.78	404.69	8.87	-56.91
CCC(C(=O)NCC1=CC=CC=C1CCC(=O)[O-])[NH+](CC)CC	REAL300006483529	0	51	0.0	-56.94	374.36	9.23	-47.71
CC(C(=O)NCC1=CC=CC=C1CCC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006483531	0	52	0.0	-63.28	406.63	11.19	-52.09
CC(C(=O)NCC1=CC=CC=C1CCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006483531	1	52	0.0	-62.93	406.65	11.21	-51.72
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006483543	0	59	0.0	-62.26	449.14	13.46	-48.80
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006483543	1	59	0.0	-56.83	449.15	13.45	-43.38
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C=N1	REAL300006483566	0	48	0.0	-73.74	385.72	9.20	-64.54
CCC[NH+](CCC)CCCC(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483575	0	57	0.0	-66.49	434.32	11.43	-55.06
O=C([O-])CCC1=CC=CC=C1CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300006483576	1	57	0.0	-53.54	439.75	9.15	-44.39
CC[N@H+](C)C(C(=O)NCC1=CC=CC=C1CCC(=O)[O-])C1=CC=CC=C1	REAL300006483577	0	52	0.0	-52.32	404.28	11.37	-40.95
CC[N@@H+](C)C(C(=O)NCC1=CC=CC=C1CCC(=O)[O-])C1=CC=CC=C1	REAL300006483577	1	52	0.0	-61.34	404.21	11.35	-49.99
C[N@@H+]1CCOC(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C1	REAL300006483579	1	44	0.0	-69.58	349.11	7.66	-61.92
C[N@H+]1CCOC(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C1	REAL300006483579	1	44	0.0	-50.46	342.02	7.50	-42.96
CC[NH+](CC)C(C(=O)NCC1=CC=CC=C1CCC(=O)[O-])C1=CC=CC=C1	REAL300006483582	0	55	0.0	-63.47	411.97	11.38	-52.09
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483591	1	47	0.0	-57.67	377.41	9.93	-47.74
C[NH+](C)C(C(=O)NCC1=CC=CC=C1CCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300006483596	1	49	0.0	-66.75	403.15	11.22	-55.53
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006483609	0	53	0.0	-76.70	414.72	11.84	-64.86
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006483617	0	56	0.0	-71.87	431.48	12.53	-59.34
C[NH+](C)CC1(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])CC1	REAL300006483624	0	46	0.0	-70.84	363.40	8.97	-61.87
C[NH+](C)CCCCC(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483634	0	48	0.0	-70.49	377.13	9.35	-61.14
CC(C)C(C(=O)NCC1=CC=CC=C1CCC(=O)[O-])[NH+](C)C	REAL300006483643	0	48	0.0	-62.76	355.98	8.75	-54.01
O=C([O-])CCC1=CC=CC=C1CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006483645	1	57	0.0	-74.97	439.31	11.69	-63.28
O=C([O-])CCC1=CC=CC=C1CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006483645	1	57	0.0	-72.36	446.07	11.75	-60.61
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300006483657	0	56	0.0	-54.11	430.40	12.35	-41.76
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300006483657	1	56	0.0	-55.58	420.98	12.20	-43.38
CC1=C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006483659	1	47	0.0	-77.38	387.57	9.08	-68.30
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006483667	0	56	0.0	-77.18	431.47	12.55	-64.63
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006483681	1	49	0.0	-74.29	395.17	9.28	-65.01
C[NH+](C)CCC1=CC=C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C=C1	REAL300006483682	0	52	0.0	-80.22	412.40	11.53	-68.69
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483694	1	45	0.0	-57.72	361.06	8.26	-49.46
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006483696	1	54	0.0	-66.53	425.85	11.22	-55.31
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006483696	1	54	0.0	-76.91	425.89	11.22	-65.69
C[N@H+](CC(=O)NCC1=CC=CC=C1CCC(=O)[O-])C1CCC1	REAL300006483727	0	46	0.0	-57.39	357.98	9.19	-48.20
C[N@@H+](CC(=O)NCC1=CC=CC=C1CCC(=O)[O-])C1CCC1	REAL300006483727	1	46	0.0	-58.77	357.84	9.18	-49.59
CC(C(=O)NCC1=CC=CC=C1CCC(=O)[O-])[NH+]1CCSCC1	REAL300006483753	1	47	0.0	-61.87	367.14	9.05	-52.82
C[N@H+](CC(=O)NCC1=CC=CC=C1CCC(=O)[O-])CC(C)(C)C	REAL300006483759	0	51	0.0	-59.10	381.39	9.70	-49.40
C[N@@H+](CC(=O)NCC1=CC=CC=C1CCC(=O)[O-])CC(C)(C)C	REAL300006483759	1	51	0.0	-60.19	381.54	9.76	-50.43
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483761	0	52	0.0	-63.39	410.90	11.64	-51.75
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483761	1	52	0.0	-63.10	410.90	11.64	-51.46
COCCOCC[N@H+](C)CCC(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483762	0	56	0.0	-65.63	439.89	7.83	-57.80
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483762	1	56	0.0	-65.01	439.94	7.83	-57.18
C[N@@H+]1CCCC(O)(CC(=O)NCC2=CC=CC=C2CCC(=O)[O-])C1	REAL300006483767	0	50	0.0	-65.03	379.20	7.65	-57.38
C[N@H+]1CCCC(O)(CC(=O)NCC2=CC=CC=C2CCC(=O)[O-])C1	REAL300006483767	1	50	0.0	-55.40	382.06	7.57	-47.83
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300006483788	1	55	0.0	-66.14	416.00	10.47	-55.67
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300006483788	1	55	0.0	-58.85	415.96	10.46	-48.39
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300006483789	1	55	0.0	-55.09	425.32	10.51	-44.58
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300006483789	1	55	0.0	-57.50	415.87	10.43	-47.07
CCCCCC[N@H+](C)CC(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006483791	0	54	0.0	-60.97	415.44	10.96	-50.01
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CCC[N@H+]1CCCC(C(=O)N2CCC(CCOC)(C(=O)[O-])CC2)C1	REAL300006490320	1	56	0.0	-68.98	396.86	8.43	-60.55
COCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC(C)C)CC1	REAL300006490351	0	56	0.0	-63.68	391.20	8.15	-55.53
COCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC(C)C)CC1	REAL300006490351	1	56	0.0	-64.27	394.36	8.51	-55.76
COCCC1(C(=O)[O-])CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300006490352	0	54	0.0	-68.43	386.64	4.68	-63.75
COCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](C(C)C)C2)CC1	REAL300006490579	0	56	0.0	-66.20	391.98	8.20	-58.00
COCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](C(C)C)C2)CC1	REAL300006490579	1	56	0.0	-66.78	391.25	8.22	-58.56
COCCC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)CC1	REAL300006490580	0	50	0.0	-83.58	360.74	7.43	-76.15
COCCC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)CC1	REAL300006490580	1	50	0.0	-68.12	365.54	6.67	-61.45
COCCC1(C(=O)[O-])CCN(C(=O)CCC2=[NH+]C(C)=C(C)N2)CC1	REAL300006490606	1	51	0.0	-64.22	383.20	6.83	-57.39
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)CC1	REAL300006491100	0	56	0.0	-76.62	414.17	9.51	-67.11
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)CC1	REAL300006491107	0	57	0.0	-76.63	419.78	8.43	-68.20
COCCC1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1	REAL300006491245	0	50	0.0	-69.10	362.88	7.24	-61.86
COCCC1(C(=O)[O-])CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC1	REAL300006491249	0	56	0.0	-71.35	383.44	7.96	-63.39
COCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC(C)C)C2)CC1	REAL300006491316	0	59	0.0	-73.07	406.69	9.03	-64.04
COCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC(C)C)C2)CC1	REAL300006491316	1	59	0.0	-73.07	406.69	9.03	-64.04
CC[N@@H+]1CCCC(C(=O)N2CCC(CCOC)(C(=O)[O-])CC2)C1	REAL300006491317	0	53	0.0	-67.51	375.33	7.69	-59.82
CC[N@H+]1CCCC(C(=O)N2CCC(CCOC)(C(=O)[O-])CC2)C1	REAL300006491317	1	53	0.0	-67.51	375.33	7.69	-59.82
COCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](C)C2)CC1	REAL300006491321	0	50	0.0	-73.44	358.11	7.05	-66.39
COCCC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](C)C2)CC1	REAL300006491321	1	50	0.0	-73.44	358.11	7.05	-66.39
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN(C)C)O2)CC1	REAL300006491323	0	50	0.0	-74.53	372.81	7.22	-67.31
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)CC1	REAL300006491323	1	50	0.0	-74.53	372.81	7.22	-67.31
COCCC1(C(=O)[O-])CCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CC1	REAL300006491329	0	59	0.0	-72.94	396.75	7.99	-64.95
COCCC1(C(=O)[O-])CCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CC1	REAL300006491329	1	59	0.0	-72.94	396.75	7.99	-64.95
COCCC1(C(=O)[O-])CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300006491332	0	52	0.0	-65.42	367.81	8.44	-56.98
CC(C)CCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006492399	0	55	0.0	-73.70	417.56	11.19	-62.51
CC1=[NH+]C=C2CCC(C(=O)NC(CCC(C)C)C(=O)[O-])CN21	REAL300006493697	1	47	0.0	-61.85	365.33	8.70	-53.15
CC1=NC(C[NH+]2CCC(C(=O)NC(CCC(C)C)C(=O)[O-])CC2)=CS1	REAL300006493749	1	54	0.0	-74.24	425.52	8.93	-65.31
CC(C)CCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006493814	0	58	0.0	-77.99	451.06	10.68	-67.31
CC(C)CCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006493820	0	58	0.0	-78.23	451.85	13.02	-65.21
CC(C)CCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006493820	1	58	0.0	-78.25	451.85	13.03	-65.22
CC(C)CCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300006493889	0	54	0.0	-48.01	382.05	9.29	-38.72
CC(C)CCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300006493891	0	54	0.0	-66.27	395.40	9.55	-56.72
CC(C)CCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300006493891	1	54	0.0	-65.53	395.40	9.52	-56.01
CC(C)CCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300006493949	0	48	0.0	-78.73	386.14	8.60	-70.13
CC(C)CCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300006493968	0	56	0.0	-77.51	408.71	8.21	-69.30
CC(C)CCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300006493992	1	52	0.0	-73.20	394.43	7.58	-65.62
CC[N@H+](CC1=CC=C(C(=O)NC(CCC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300006493993	0	57	0.0	-77.34	423.68	11.05	-66.29
CC[N@@H+](CC1=CC=C(C(=O)NC(CCC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300006493993	1	57	0.0	-76.78	413.65	10.66	-66.12
CC(C)CCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006494010	0	52	0.0	-66.85	400.55	10.34	-56.51
CC(C)CCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006494010	1	52	0.0	-66.34	400.33	10.41	-55.93
CC(C)CCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300006494011	0	53	0.0	-73.07	396.81	9.59	-63.48
CC(C)CCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300006494034	0	56	0.0	-65.40	393.38	7.90	-57.50
CC(C)CCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006494037	0	51	0.0	-57.18	391.74	9.98	-47.20
CC(C)CCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006494037	1	51	0.0	-57.96	391.77	9.92	-48.04
CC(C)CCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006494045	0	58	0.0	-61.23	434.38	12.21	-49.02
CC(C)CCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006494045	1	58	0.0	-70.28	440.38	12.06	-58.22
CC(C)CCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300006494062	0	47	0.0	-76.57	370.92	7.96	-68.61
CCC[NH+](CCC)CCCC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300006494069	0	56	0.0	-68.34	419.55	10.16	-58.18
CC(C)CCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300006494087	0	52	0.0	-80.34	399.07	10.52	-69.82
CC(C)CCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300006494092	0	55	0.0	-72.97	416.71	11.28	-61.69
CCN1CCC([NH+]2CCC(C(=O)NC(CCC(C)C)C(=O)[O-])CC2)CC1	REAL300006494098	0	63	0.0	-69.86	451.61	8.95	-60.91
CC(C)CCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300006494105	1	59	0.0	-84.65	449.97	10.33	-74.32
CC(C)CCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006494114	1	56	0.0	-78.16	424.30	10.48	-67.68
CC(C)CCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006494114	1	56	0.0	-74.14	430.49	10.51	-63.63
CC1=C(C(=O)NC(CCC(C)C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006494128	1	46	0.0	-79.53	372.75	7.83	-71.70
CC(C)CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300006494131	0	55	0.0	-80.54	415.56	11.28	-69.26
CC(C)CCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300006494142	1	48	0.0	-77.36	380.40	8.03	-69.33
CC(C)CCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006494143	0	51	0.0	-85.07	396.80	10.33	-74.74
CC(C)CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006494147	1	53	0.0	-57.81	403.94	9.80	-48.01
CC(C)CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006494147	1	53	0.0	-57.81	404.04	9.80	-48.01
CC(C)CCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006494156	0	61	0.0	-56.71	449.84	12.29	-44.42
CC(C)CCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006494186	0	51	0.0	-60.95	395.29	10.43	-50.52
CC(C)CCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006494186	1	51	0.0	-61.26	395.88	10.45	-50.81
COCCOCC[N@H+](C)CCC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300006494187	0	55	0.0	-65.44	424.29	6.60	-58.84
COCCOCC[N@@H+](C)CCC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300006494187	1	55	0.0	-65.21	424.34	6.61	-58.60
CC(C)CCC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300006494190	0	49	0.0	-67.43	354.49	6.25	-61.18
CC(C)CCC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300006494190	1	49	0.0	-63.78	357.35	6.16	-57.62
CC(C)CCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006494195	0	60	0.0	-73.03	451.29	10.09	-62.94
CCCCCC[N@H+](C)CC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300006494196	0	53	0.0	-60.25	400.72	9.71	-50.54
CCCCCC[N@@H+](C)CC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300006494196	1	53	0.0	-60.21	400.71	9.70	-50.51
CC(C)CCC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300006494218	0	46	0.0	-61.08	357.74	8.16	-52.92
CC(C)CCC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300006494218	1	46	0.0	-61.50	356.47	8.19	-53.31
CC(C)CCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300006494228	0	56	0.0	-71.08	412.34	7.11	-63.97
CC(C)CCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300006494228	1	56	0.0	-64.43	407.82	6.95	-57.48
CC(C)CCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300006494229	0	59	0.0	-68.61	433.59	7.98	-60.63
CC(C)CCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300006494229	1	59	0.0	-67.94	429.32	7.75	-60.19
CC(C)CCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300006494231	0	48	0.0	-78.81	381.30	7.44	-71.37
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CCC(C)C)C(=O)[O-])CC2)=C1	REAL300006494234	0	60	0.0	-69.27	451.19	9.95	-59.32
CC(C)CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006494236	0	57	0.0	-68.91	429.79	9.29	-59.62
CC(C)CCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006494239	0	54	0.0	-67.13	406.80	9.57	-57.56
CC(C)CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006494239	1	54	0.0	-66.88	406.74	9.57	-57.31
CC(C)CCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300006494244	1	52	0.0	-59.33	392.02	10.50	-48.83
CC(C)CCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300006494244	1	52	0.0	-58.23	391.19	10.54	-47.69
CC(C)CCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006494263	0	55	0.0	-73.33	422.02	11.19	-62.14
CC(C)CCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006494263	1	55	0.0	-72.43	419.93	11.11	-61.32
CC(C)CCC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006494274	0	48	0.0	-84.64	381.67	7.46	-77.18
CC(C)CCC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300006494275	0	48	0.0	-57.78	376.15	7.40	-50.38
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300006494276	1	49	0.0	-61.35	382.94	9.16	-52.19
CC(C)CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006494287	0	55	0.0	-66.74	418.28	11.41	-55.33
CC(C)CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006494287	1	55	0.0	-66.68	424.51	11.20	-55.48
CC(C)CCC(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300006494291	0	49	0.0	-65.81	368.30	6.67	-59.14
CC(C)CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300006494292	0	56	0.0	-68.44	427.52	8.69	-59.75
CC(C)CCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300006494328	1	55	0.0	-79.74	414.53	9.38	-70.36
CC(C)CCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006494329	0	55	0.0	-61.11	402.22	9.92	-51.19
CC(C)CCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006494329	1	55	0.0	-66.77	402.31	9.82	-56.95
CC(C)CCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300006494354	0	57	0.0	-71.08	433.58	8.92	-62.16
CC(C)CCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300006494355	0	57	0.0	-78.46	432.88	8.67	-69.79
CC(C)CCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300006494355	1	57	0.0	-81.75	433.23	8.75	-73.00
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CCC(C)C)C(=O)[O-])C=C1	REAL300006494356	0	58	0.0	-79.45	436.32	10.30	-69.15
CC(C)CCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300006494434	0	59	0.0	-84.14	447.55	8.64	-75.50
CC(C)CCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300006494438	0	48	0.0	-76.05	375.14	9.44	-66.61
CC(C)CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006494439	0	55	0.0	-63.44	417.90	11.19	-52.25
CC(C)CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006494439	1	55	0.0	-63.97	418.06	11.13	-52.84
CC[NH+]1CCN(CCC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300006494480	0	53	0.0	-71.08	394.43	6.44	-64.64
CCN1CC[NH+](CCC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300006494480	1	53	0.0	-63.97	394.76	6.64	-57.33
CC(C)CCC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300006494486	1	49	0.0	-59.75	381.59	9.14	-50.61
CC(C)CCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006494532	1	53	0.0	-81.41	409.94	9.88	-71.53
CC(C)CCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006494532	1	53	0.0	-80.79	409.90	9.92	-70.87
CC[NH+](CC)CC1=CC=C(C(=O)NC(CCC(C)C)C(=O)[O-])O1	REAL300006494572	0	51	0.0	-73.45	397.33	9.12	-64.33
CC1=CC=C(N2CCC(C(=O)NC(CCC(C)C)C(=O)[O-])CC2)[NH+]=C1	REAL300006494573	1	54	0.0	-70.92	411.03	9.02	-61.90
CC(C)CCC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006494574	1	48	0.0	-62.37	373.65	9.55	-52.82
CC(C)CCC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006494574	1	48	0.0	-61.17	372.81	9.58	-51.59
CC(C)CCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300006494577	0	60	0.0	-81.32	443.16	9.80	-71.52
CC(C)CCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006494586	1	43	0.0	-76.83	355.44	7.43	-69.40
CC(C)CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006494613	0	55	0.0	-68.49	422.57	11.00	-57.49
CC(C)CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006494613	1	55	0.0	-68.85	416.08	10.80	-58.05
CC(C)CCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006494630	0	56	0.0	-81.91	439.24	10.46	-71.45
CC(C)CCC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300006494641	0	49	0.0	-77.27	376.70	8.10	-69.17
CC(C)CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300006494645	0	52	0.0	-74.65	401.23	9.58	-65.07
CC(C)CCC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300006494791	1	49	0.0	-59.38	370.54	5.20	-54.18
CC(C)CCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006494946	0	45	0.0	-67.07	360.45	7.72	-59.35
CC(C)CCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006494946	1	45	0.0	-79.00	360.94	7.68	-71.32
CC(C)CCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300006495287	0	51	0.0	-78.43	397.64	10.26	-68.17
CC(C)CCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006495292	0	52	0.0	-80.93	404.10	9.28	-71.65
CC(C)CCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006495364	0	58	0.0	-69.27	436.70	11.88	-57.39
CC(C)CCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006495366	1	56	0.0	-84.02	422.51	9.61	-74.41
CC(C)CCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006495366	1	56	0.0	-83.02	422.55	9.61	-73.41
CC1=[NH+]C=C2C=CC(C(=O)NC(CCC(C)C)C(=O)[O-])=CN21	REAL300006495389	0	43	0.0	-65.16	348.33	9.29	-55.87
CC(C)CCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300006495426	0	54	0.0	-58.14	391.67	9.91	-48.23
CC(C)CCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300006495426	1	54	0.0	-58.21	391.68	9.92	-48.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](O)C2)C1	REAL300006495515	0	48	0.0	-46.99	361.50	6.43	-40.56
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](O)C2)C1	REAL300006495515	1	48	0.0	-50.55	362.30	6.89	-43.66
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(O)(C3=NNC=C3)C2)C1	REAL300006495630	0	45	0.0	-52.56	351.41	3.40	-49.16
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(O)(C3=NNC=C3)C2)C1	REAL300006495630	1	45	0.0	-48.55	343.26	3.01	-45.54
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CCC3)OC3(CCC3)C2)C1	REAL300006495748	0	52	0.0	-48.60	374.69	8.77	-39.83
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3(CCC3)OC3(CCC3)C2)C1	REAL300006495748	1	52	0.0	-47.77	374.29	8.74	-39.03
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3=C4C=CSC4=CC=C3)CC2)C1	REAL300006495870	0	52	0.0	-46.33	396.75	9.60	-36.73
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3=C4C=CSC4=CC=C3)CC2)C1	REAL300006495870	1	52	0.0	-50.90	398.25	9.79	-41.11
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=COC=C2)C2=CC=CC=C2)C1	REAL300006495978	0	47	0.0	-51.20	368.35	9.32	-41.88
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=COC=C2)C2=CC=CC=C2)C1	REAL300006495978	1	47	0.0	-48.32	367.48	8.86	-39.46
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OCC(F)(F)F	REAL300006496093	0	46	0.0	-49.22	362.36	6.16	-43.06
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OCC(F)(F)F	REAL300006496093	1	46	0.0	-49.27	363.00	6.18	-43.09
CC1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC[N@@H+]1C1CC1	REAL300006496141	1	45	0.0	-62.12	343.14	9.09	-53.03
CC1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC[N@H+]1C1CC1	REAL300006496141	1	45	0.0	-78.68	343.19	9.08	-69.60
CC(SC1=CC=CC=C1C(=O)N1CC[N@H+](C2CC2)C(C)C1)C(=O)[O-]	REAL300006496142	1	48	0.0	-81.77	370.68	10.32	-71.45
CC(SC1=CC=CC=C1C(=O)N1CC[N@@H+](C2CC2)C(C)C1)C(=O)[O-]	REAL300006496142	1	48	0.0	-76.20	368.60	10.57	-65.63
CCOC1=CC(C(=O)N2CC[N@H+](C3CC3)C(C)C2)=CC=C1OCC(=O)[O-]	REAL300006496143	1	52	0.0	-77.97	392.80	9.73	-68.24
CCOC1=CC(C(=O)N2CC[N@@H+](C3CC3)C(C)C2)=CC=C1OCC(=O)[O-]	REAL300006496143	1	52	0.0	-77.45	394.24	9.76	-67.69
CC1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1C1CC1	REAL300006496144	0	47	0.0	-76.60	358.88	10.67	-65.93
CC1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1C1CC1	REAL300006496144	1	47	0.0	-75.80	365.14	10.47	-65.33
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1C1CC1	REAL300006496145	0	45	0.0	-77.27	346.25	10.35	-66.92
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1C1CC1	REAL300006496145	1	45	0.0	-76.48	352.47	10.15	-66.33
CC1CN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1C1CC1	REAL300006496146	1	49	0.0	-74.57	391.56	5.52	-69.05
CC1CN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1C1CC1	REAL300006496146	1	49	0.0	-75.71	391.62	5.51	-70.20
CC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@@H+]1C1CC1	REAL300006496147	1	43	0.0	-59.17	341.31	9.52	-49.65
CC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@H+]1C1CC1	REAL300006496147	1	43	0.0	-71.10	341.28	9.50	-61.60
CC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@@H+]1C1CC1	REAL300006496148	1	43	0.0	-59.17	341.31	9.52	-49.65
CC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC[N@H+]1C1CC1	REAL300006496148	1	43	0.0	-71.10	341.28	9.50	-61.60
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[N@H+](C3CC3)C(C)C2)C=C1	REAL300006496149	1	51	0.0	-78.45	387.10	10.38	-68.07
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[N@@H+](C3CC3)C(C)C2)C=C1	REAL300006496149	1	51	0.0	-78.70	389.71	10.39	-68.31
CC1CN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC[N@@H+]1C1CC1	REAL300006496150	1	48	0.0	-69.47	367.47	9.96	-59.51
CC1CN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC[N@H+]1C1CC1	REAL300006496150	1	48	0.0	-70.28	368.80	9.90	-60.38
CC1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1C1CC1	REAL300006496151	0	47	0.0	-67.69	350.34	10.40	-57.29
CC1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1C1CC1	REAL300006496151	1	47	0.0	-66.21	356.21	10.20	-56.01
CC1=CC(C(=O)N2CC[N@H+](C3CC3)C(C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006496152	1	51	0.0	-74.19	385.77	10.56	-63.63
CC1=CC(C(=O)N2CC[N@@H+](C3CC3)C(C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006496152	1	51	0.0	-72.72	394.40	10.46	-62.26
CC1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+]1C1CC1	REAL300006496153	0	44	0.0	-81.59	337.65	9.87	-71.72
CC1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1C1CC1	REAL300006496153	1	44	0.0	-83.88	339.16	9.83	-74.05
CC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC[N@@H+]1C1CC1	REAL300006496154	1	41	0.0	-70.85	319.14	8.89	-61.96
CC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC[N@H+]1C1CC1	REAL300006496154	1	41	0.0	-72.12	315.53	8.47	-63.65
CC1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1C1CC1	REAL300006496155	0	44	0.0	-86.10	337.57	9.86	-76.24
CC1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1C1CC1	REAL300006496155	1	44	0.0	-85.33	343.74	9.66	-75.67
CC1=NC(C(=O)N2CC[N@H+](C3CC3)C(C)C2)=CC=C1C(=O)[O-]	REAL300006496156	1	43	0.0	-59.81	324.18	8.00	-51.81
CC1=NC(C(=O)N2CC[N@@H+](C3CC3)C(C)C2)=CC=C1C(=O)[O-]	REAL300006496156	1	43	0.0	-60.68	325.42	8.30	-52.38
CC1CN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC[N@@H+]1C1CC1	REAL300006496157	1	41	0.0	-55.74	339.60	9.21	-46.53
CC1CN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC[N@H+]1C1CC1	REAL300006496157	1	41	0.0	-72.29	334.41	9.44	-62.85
CC1CN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)CC[N@@H+]1C1CC1	REAL300006496158	1	44	0.0	-64.14	334.23	9.58	-54.56
CC1CN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)CC[N@H+]1C1CC1	REAL300006496158	1	44	0.0	-77.23	334.28	9.57	-67.66
CC1CN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC[N@@H+]1C1CC1	REAL300006496159	1	51	0.0	-53.97	378.01	12.02	-41.95
CC1CN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC[N@H+]1C1CC1	REAL300006496159	1	51	0.0	-50.48	369.66	11.56	-38.92
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[N@H+](C2CC2)C(C)C1	REAL300006496160	1	44	0.0	-51.94	344.83	8.33	-43.61
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[N@@H+](C2CC2)C(C)C1	REAL300006496160	1	44	0.0	-73.44	343.56	8.35	-65.09
CC1CN(C(=O)CC2CCC(C(=O)[O-])CC2)CC[N@@H+]1C1CC1	REAL300006496161	0	50	0.0	-79.95	357.62	10.12	-69.83
CC1CN(C(=O)CC2CCC(C(=O)[O-])CC2)CC[N@H+]1C1CC1	REAL300006496161	1	50	0.0	-79.99	357.71	10.12	-69.87
CC1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC[N@@H+]1C1CC1	REAL300006496162	1	48	0.0	-83.54	340.81	9.22	-74.32
CC1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC[N@H+]1C1CC1	REAL300006496162	1	48	0.0	-83.65	340.88	9.25	-74.40
CC1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC[N@@H+]1C1CC1	REAL300006496163	1	51	0.0	-75.38	347.96	9.51	-65.87
CC1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC[N@H+]1C1CC1	REAL300006496163	1	51	0.0	-75.59	349.63	9.49	-66.10
CC1CN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC[N@@H+]1C1CC1	REAL300006496164	1	43	0.0	-87.58	340.53	7.84	-79.74
CC1CN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC[N@H+]1C1CC1	REAL300006496164	1	43	0.0	-87.02	342.85	7.82	-79.20
CC1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC[N@@H+]1C1CC1	REAL300006496165	1	48	0.0	-72.44	375.52	9.30	-63.14
CC1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC[N@H+]1C1CC1	REAL300006496165	1	48	0.0	-72.59	371.48	9.21	-63.38
CC1CN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC[N@@H+]1C1CC1	REAL300006496166	0	54	0.0	-68.39	397.79	11.88	-56.51
CC1CN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC[N@H+]1C1CC1	REAL300006496166	1	54	0.0	-67.44	393.46	12.09	-55.35
CC1CN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)CC[N@@H+]1C1CC1	REAL300006496167	1	42	0.0	-59.48	335.41	8.47	-51.01
CC1CN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)CC[N@H+]1C1CC1	REAL300006496167	1	42	0.0	-61.61	331.28	8.78	-52.83
CC1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[N@@H+]1C1CC1	REAL300006496168	1	48	0.0	-55.23	335.72	9.22	-46.01
CC1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[N@H+]1C1CC1	REAL300006496168	1	48	0.0	-51.53	345.31	9.54	-41.99
CC1CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC[N@@H+]1C1CC1	REAL300006496169	1	45	0.0	-71.99	343.05	9.08	-62.91
CC1CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC[N@H+]1C1CC1	REAL300006496169	1	45	0.0	-72.44	343.74	9.05	-63.39
CC1CN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC[N@@H+]1C1CC1	REAL300006496170	1	50	0.0	-81.18	385.84	9.45	-71.73
CC1CN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC[N@H+]1C1CC1	REAL300006496170	1	50	0.0	-83.50	382.01	9.68	-73.82
CC1CN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CC[N@@H+]1C1CC1	REAL300006496171	1	44	0.0	-71.08	334.17	9.58	-61.50
CC1CN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CC[N@H+]1C1CC1	REAL300006496171	1	44	0.0	-64.16	335.28	9.62	-54.54
CC1CN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC[N@@H+]1C1CC1	REAL300006496172	1	45	0.0	-73.95	344.13	10.10	-63.85
CC1CN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC[N@H+]1C1CC1	REAL300006496172	1	45	0.0	-74.27	344.80	10.04	-64.23
CC1CN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC[N@@H+]1C1CC1	REAL300006496173	0	42	0.0	-73.60	330.78	8.61	-64.99
CC1CN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC[N@H+]1C1CC1	REAL300006496173	1	42	0.0	-72.57	337.00	8.40	-64.17
CC1CN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CC[N@@H+]1C1CC1	REAL300006496174	1	47	0.0	-73.86	355.97	10.12	-63.74
CC1CN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CC[N@H+]1C1CC1	REAL300006496174	1	47	0.0	-72.58	349.37	10.23	-62.35
CC1CN(C(=O)COCC2=C(C(=O)[O-])N=CO2)CC[N@@H+]1C1CC1	REAL300006496175	1	44	0.0	-82.87	345.58	4.95	-77.92
CC1CN(C(=O)COCC2=C(C(=O)[O-])N=CO2)CC[N@H+]1C1CC1	REAL300006496175	1	44	0.0	-81.53	345.68	4.95	-76.58
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC[N@@H+]1C1CC1	REAL300006496176	0	42	0.0	-66.29	332.34	8.95	-57.34
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC[N@H+]1C1CC1	REAL300006496176	1	42	0.0	-64.92	338.56	8.74	-56.18
CC1=CC=C(C(=O)N2CC[N@H+](C3CC3)C(C)C2)C=C1C(=O)[O-]	REAL300006496177	1	44	0.0	-56.70	326.94	9.30	-47.40
CC1=CC=C(C(=O)N2CC[N@@H+](C3CC3)C(C)C2)C=C1C(=O)[O-]	REAL300006496177	1	44	0.0	-81.90	326.18	9.29	-72.61
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+](C2CC2)C(C)C1	REAL300006496178	1	43	0.0	-60.25	327.97	7.63	-52.62
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+](C2CC2)C(C)C1	REAL300006496178	1	43	0.0	-59.36	328.43	7.62	-51.74
CC1CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC[N@@H+]1C1CC1	REAL300006496179	0	47	0.0	-93.57	362.50	8.72	-84.85
CC1CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC[N@H+]1C1CC1	REAL300006496179	1	47	0.0	-94.49	362.60	8.72	-85.77
CC1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC[N@@H+]1C1CC1	REAL300006496180	1	48	0.0	-83.51	354.94	8.95	-74.56
CC1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC[N@H+]1C1CC1	REAL300006496180	1	48	0.0	-83.31	354.88	8.93	-74.38
CC1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC[N@@H+]1C1CC1	REAL300006496181	0	48	0.0	-71.85	355.12	8.00	-63.85
CC1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC[N@H+]1C1CC1	REAL300006496181	1	48	0.0	-72.10	355.92	7.67	-64.43
CC1CN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC[N@@H+]1C1CC1	REAL300006496182	1	49	0.0	-65.21	332.04	10.55	-54.66
CC1CN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC[N@H+]1C1CC1	REAL300006496182	1	49	0.0	-61.68	349.38	10.11	-51.57
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCN1C1CC1	REAL300006496183	0	49	0.0	-46.20	357.10	7.00	-39.20
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCN1C1CC1	REAL300006496183	1	49	0.0	-43.09	351.21	6.60	-36.49
CC1CN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC[N@@H+]1C1CC1	REAL300006496184	1	48	0.0	-58.98	364.83	10.45	-48.53
CC1CN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC[N@H+]1C1CC1	REAL300006496184	1	48	0.0	-56.48	363.14	10.58	-45.90
CC1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC[N@@H+]1C1CC1	REAL300006496185	1	48	0.0	-72.44	375.52	9.30	-63.14
CC1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC[N@H+]1C1CC1	REAL300006496185	1	48	0.0	-72.59	371.48	9.21	-63.38
CC1CN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC[N@@H+]1C1CC1	REAL300006496186	1	48	0.0	-93.68	370.86	11.26	-82.42
CC1CN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC[N@H+]1C1CC1	REAL300006496186	1	48	0.0	-95.19	370.93	11.25	-83.94
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CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC[N@@H+](C2CC2)C(C)C1	REAL300006496189	1	44	0.0	-71.21	330.67	9.47	-61.74
CC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC[N@@H+]1C1CC1	REAL300006496190	1	41	0.0	-69.41	329.20	9.34	-60.07
CC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC[N@H+]1C1CC1	REAL300006496190	1	41	0.0	-70.47	323.81	8.90	-61.57
CC1CN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC[N@@H+]1C1CC1	REAL300006496191	1	48	0.0	-72.91	359.20	9.79	-63.12
CC1CN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC[N@H+]1C1CC1	REAL300006496191	1	48	0.0	-72.48	353.29	9.65	-62.83
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[N@H+](C3CC3)C(C)C2)=C1	REAL300006496192	1	44	0.0	-49.85	337.75	7.22	-42.63
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[N@@H+](C3CC3)C(C)C2)=C1	REAL300006496192	1	44	0.0	-48.90	338.24	6.85	-42.05
CC1CN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC[N@@H+]1C1CC1	REAL300006496193	1	47	0.0	-71.91	355.57	10.38	-61.53
CC1CN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC[N@H+]1C1CC1	REAL300006496193	1	47	0.0	-70.12	356.67	10.42	-59.70
CC1CN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC[N@@H+]1C1CC1	REAL300006496194	1	45	0.0	-70.25	352.72	9.45	-60.80
CC1CN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC[N@H+]1C1CC1	REAL300006496194	1	45	0.0	-72.83	345.83	9.60	-63.23
CC1=C(C(=O)N2CC[N@H+](C3CC3)C(C)C2)C=C(C(=O)[O-])S1	REAL300006496195	1	41	0.0	-61.00	323.74	8.68	-52.32
CC1=C(C(=O)N2CC[N@@H+](C3CC3)C(C)C2)C=C(C(=O)[O-])S1	REAL300006496195	1	41	0.0	-62.15	325.25	8.66	-53.49
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COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[N@@H+](C3CC3)C(C)C2)=C1	REAL300006496197	1	45	0.0	-70.15	355.13	8.21	-61.94
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CC[N@H+](C2CC2)C(C)C1	REAL300006496198	1	44	0.0	-63.35	337.13	9.43	-53.92
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CC1CN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC[N@@H+]1C1CC1	REAL300006496200	0	46	0.0	-73.09	346.40	8.64	-64.45
CC1CN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC[N@H+]1C1CC1	REAL300006496200	1	46	0.0	-72.44	352.70	8.44	-64.00
CC1CN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1C1CC1	REAL300006496201	0	45	0.0	-77.24	346.26	10.35	-66.89
CC1CN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1C1CC1	REAL300006496201	1	45	0.0	-77.21	346.35	10.35	-66.86
CC1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[N@@H+]1C1CC1	REAL300006496202	1	48	0.0	-55.23	335.72	9.22	-46.01
CC1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[N@H+]1C1CC1	REAL300006496202	1	48	0.0	-51.53	345.31	9.54	-41.99
CC1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC[N@@H+]1C1CC1	REAL300006496203	1	42	0.0	-60.68	334.88	8.38	-52.30
CC1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC[N@H+]1C1CC1	REAL300006496203	1	42	0.0	-59.37	336.10	8.03	-51.34
CC1CN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC[N@@H+]1C1CC1	REAL300006496204	1	42	0.0	-74.53	334.95	8.50	-66.03
CC1CN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC[N@H+]1C1CC1	REAL300006496204	1	42	0.0	-73.37	335.30	8.19	-65.18
CC1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC[N@@H+]1C1CC1	REAL300006496205	1	42	0.0	-61.28	332.37	7.32	-53.96
CC1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC[N@H+]1C1CC1	REAL300006496205	1	42	0.0	-62.79	326.18	7.51	-55.28
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC[N@H+](C2CC2)C(C)C1	REAL300006496206	1	44	0.0	-75.23	326.60	9.34	-65.89
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC[N@@H+](C2CC2)C(C)C1	REAL300006496206	1	44	0.0	-73.44	326.20	9.00	-64.44
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC[N@@H+]1C1CC1	REAL300006496207	0	44	0.0	-77.83	342.03	8.58	-69.25
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC[N@H+]1C1CC1	REAL300006496207	1	44	0.0	-77.02	348.25	8.36	-68.66
CC1CN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC[N@@H+]1C1CC1	REAL300006496208	1	46	0.0	-61.27	335.35	7.25	-54.02
CC1CN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC[N@H+]1C1CC1	REAL300006496208	1	46	0.0	-64.66	333.49	7.42	-57.24
CC1CN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC[N@@H+]1C1CC1	REAL300006496209	1	47	0.0	-76.32	352.79	10.93	-65.39
CC1CN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC[N@H+]1C1CC1	REAL300006496209	1	47	0.0	-76.35	354.43	10.91	-65.44
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CC1CN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC[N@@H+]1C1CC1	REAL300006496211	1	41	0.0	-82.74	329.19	9.02	-73.72
CC1CN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC[N@H+]1C1CC1	REAL300006496211	1	41	0.0	-81.53	329.12	8.99	-72.54
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CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006502817	1	53	0.0	-69.38	402.45	10.57	-58.81
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300006503674	1	53	0.0	-68.88	411.75	10.49	-58.39
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300006503674	1	53	0.0	-72.30	411.64	10.50	-61.80
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006503751	0	50	0.0	-73.46	370.92	8.93	-64.53
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)CN21	REAL300006503781	1	48	0.0	-66.75	365.34	8.63	-58.12
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006503782	0	56	0.0	-67.57	420.32	11.01	-56.56
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)CC2)=CS1	REAL300006503856	1	55	0.0	-79.36	425.55	8.86	-70.50
CC(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)N1CC[NH+](C)CC1	REAL300006503857	1	51	0.0	-72.98	370.31	5.71	-67.27
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=C1	REAL300006503943	0	59	0.0	-78.48	451.30	10.62	-67.86
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=C1	REAL300006503955	0	59	0.0	-79.36	452.06	12.94	-66.42
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=C1	REAL300006503955	1	59	0.0	-80.03	452.05	12.94	-67.09
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006503957	0	59	0.0	-67.22	431.00	11.52	-55.70
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006504016	0	41	0.0	-73.44	327.22	9.38	-64.06
C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CCCCC1	REAL300006504046	0	55	0.0	-68.61	380.03	9.46	-59.15
C[N@H+](CCC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)C1CCCCC1	REAL300006504050	0	55	0.0	-73.92	395.43	9.46	-64.46
C[N@@H+](CCC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)C1CCCCC1	REAL300006504050	1	55	0.0	-74.13	395.38	9.46	-64.67
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006504073	1	56	0.0	-71.28	412.67	10.93	-60.35
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006504073	1	56	0.0	-70.50	422.08	11.11	-59.39
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006504074	1	53	0.0	-69.71	401.43	10.04	-59.67
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006504074	1	53	0.0	-73.15	401.32	10.05	-63.10
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006504130	0	49	0.0	-80.36	386.20	8.49	-71.87
C[NH+](C)CCN1N=CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=C1C1=CC=CC=C1	REAL300006504135	0	59	0.0	-79.66	454.66	10.68	-68.98
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006504159	0	56	0.0	-65.90	389.67	9.81	-56.09
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300006504159	1	56	0.0	-66.04	389.95	9.80	-56.24
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006504160	0	57	0.0	-71.79	402.23	7.99	-63.80
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504192	1	47	0.0	-70.91	368.02	8.77	-62.14
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CCCC[NH+]1CCOCC1	REAL300006504193	1	53	0.0	-77.30	395.31	7.45	-69.85
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=C1)C(C)C	REAL300006504195	0	58	0.0	-78.79	423.76	10.98	-67.81
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=C1)C(C)C	REAL300006504195	1	58	0.0	-78.79	414.57	10.54	-68.25
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006504219	0	53	0.0	-73.78	401.57	10.37	-63.41
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006504219	1	53	0.0	-74.69	400.73	10.26	-64.43
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006504220	0	54	0.0	-82.34	396.83	9.51	-72.83
C[NH+]1CCN(C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C2=CC=CC=C2)CC1	REAL300006504248	1	58	0.0	-70.34	433.75	9.02	-61.32
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006504249	0	57	0.0	-73.77	393.76	7.71	-66.06
CC(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300006504254	0	52	0.0	-70.54	392.19	9.84	-60.70
CC(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300006504254	1	52	0.0	-72.26	392.02	9.85	-62.41
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006504265	0	59	0.0	-76.35	440.63	11.92	-64.43
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006504265	1	59	0.0	-76.91	440.65	11.92	-64.99
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=N1	REAL300006504293	0	48	0.0	-79.14	371.00	7.50	-71.64
CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504304	0	57	0.0	-73.60	414.94	9.80	-63.80
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300006504305	1	57	0.0	-67.06	424.91	7.84	-59.22
CC[N@H+](C)C(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006504306	0	52	0.0	-67.61	390.12	9.98	-57.63
CC[N@@H+](C)C(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006504306	1	52	0.0	-68.41	390.29	9.96	-58.45
CC[NH+](CC)C(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006504311	0	55	0.0	-70.12	396.39	10.37	-59.75
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504317	1	47	0.0	-66.22	366.62	8.65	-57.57
C[NH+](C)C(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)C1=CC=C(Cl)C=C1	REAL300006504319	1	49	0.0	-73.17	388.42	9.87	-63.30
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006504333	0	53	0.0	-81.58	401.41	10.55	-71.03
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006504340	0	56	0.0	-74.47	416.70	11.20	-63.27
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)CC2)CC1	REAL300006504347	0	64	0.0	-77.84	451.87	8.82	-69.02
CC1C[NH+](CC2=CC=C(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)C=C2)CC(C)O1	REAL300006504354	1	60	0.0	-83.97	443.77	10.29	-73.68
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006504365	1	57	0.0	-83.88	424.43	10.36	-73.52
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006504365	1	57	0.0	-81.79	431.41	10.39	-71.40
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300006504381	0	56	0.0	-69.00	415.73	11.03	-57.97
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300006504381	1	56	0.0	-66.51	415.50	11.02	-55.49
CC1=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300006504383	1	47	0.0	-80.85	373.01	7.76	-73.09
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006504391	0	56	0.0	-81.72	416.78	11.22	-70.50
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006504403	1	49	0.0	-78.94	381.71	8.03	-70.91
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=C1	REAL300006504404	0	52	0.0	-83.89	397.72	10.20	-73.69
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504415	1	45	0.0	-64.79	346.57	6.94	-57.85
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006504416	1	54	0.0	-74.34	404.21	9.71	-64.63
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006504416	1	54	0.0	-80.65	411.21	9.87	-70.78
CC(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006504430	0	62	0.0	-68.46	455.27	12.34	-56.12
CC(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)[NH+]1CCSCC1	REAL300006504470	1	47	0.0	-73.01	349.89	7.78	-65.23
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504477	0	52	0.0	-74.21	396.21	10.30	-63.91
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504477	1	52	0.0	-74.28	396.21	10.31	-63.97
COCCOCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504478	0	56	0.0	-73.59	425.18	6.48	-67.11
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504478	1	56	0.0	-75.45	425.20	6.49	-68.96
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C1	REAL300006504482	0	50	0.0	-72.10	364.51	6.31	-65.79
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C1	REAL300006504482	1	50	0.0	-72.59	354.94	6.12	-66.47
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006504492	0	61	0.0	-78.77	451.57	10.01	-68.76
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300006504493	1	55	0.0	-73.49	410.68	9.29	-64.20
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300006504493	1	55	0.0	-70.76	410.50	9.29	-61.47
CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504496	0	54	0.0	-71.83	400.77	9.62	-62.21
CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504496	1	54	0.0	-71.79	400.80	9.63	-62.16
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006504508	1	41	0.0	-78.71	327.49	9.38	-69.33
C[N@H+](CC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)C1CCSC1	REAL300006504526	0	47	0.0	-76.15	356.71	8.10	-68.05
C[N@@H+](CC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)C1CCSC1	REAL300006504526	1	47	0.0	-75.82	356.35	8.09	-67.73
CC(C)[NH+]1CCN(CCC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006504541	0	57	0.0	-73.39	412.33	7.05	-66.34
CC(C)N1CC[NH+](CCC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006504541	1	57	0.0	-73.71	412.40	7.07	-66.64
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006504542	0	60	0.0	-70.33	432.92	7.71	-62.62
CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006504542	1	60	0.0	-74.29	430.63	7.65	-66.64
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006504543	0	50	0.0	-66.08	353.40	8.43	-57.65
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC2CCC[N@H+]21	REAL300006504543	1	50	0.0	-63.11	361.82	8.70	-54.41
C[NH+](C)CCN1C=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=N1	REAL300006504545	0	49	0.0	-81.46	381.37	7.37	-74.09
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)CC2)=C1	REAL300006504552	0	61	0.0	-77.89	451.47	9.88	-68.01
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006504554	0	58	0.0	-77.85	430.03	9.21	-68.64
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006504557	0	55	0.0	-76.23	413.14	9.29	-66.94
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006504557	1	55	0.0	-75.91	413.21	9.30	-66.61
CC(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006504562	1	53	0.0	-69.22	392.51	10.37	-58.85
CC(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300006504562	1	53	0.0	-70.94	392.03	10.43	-60.51
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006504590	0	56	0.0	-77.14	420.11	11.03	-66.11
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006504590	1	56	0.0	-77.91	421.37	11.08	-66.83
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=N1	REAL300006504605	0	49	0.0	-85.91	381.91	7.37	-78.54
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504606	0	49	0.0	-64.90	377.05	7.33	-57.57
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504612	1	50	0.0	-67.25	383.20	9.08	-58.17
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006504628	0	56	0.0	-75.24	424.68	11.12	-64.12
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006504628	1	56	0.0	-75.82	424.72	11.13	-64.69
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300006504629	1	52	0.0	-65.09	396.36	9.02	-56.07
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300006504629	1	52	0.0	-66.84	390.69	8.17	-58.67
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504633	0	50	0.0	-74.03	368.30	6.60	-67.43
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006504634	0	57	0.0	-78.03	427.76	8.62	-69.41
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006504688	1	56	0.0	-80.43	420.16	9.56	-70.87
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006504689	0	56	0.0	-71.64	403.09	9.83	-61.81
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006504689	1	56	0.0	-70.09	402.74	9.81	-60.28
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2	REAL300006504708	0	50	0.0	-72.91	354.46	8.05	-64.86
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006504712	0	50	0.0	-65.44	364.84	8.82	-56.62
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC2CCCC[N@H+]21	REAL300006504712	1	50	0.0	-64.87	364.98	8.79	-56.08
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504720	0	53	0.0	-70.72	377.80	6.95	-63.77
CC(C)[N@@H+]1CCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C(C2=CN(C)N=C2)C1	REAL300006504725	0	62	0.0	-79.85	448.45	9.35	-70.50
CC(C)[N@H+]1CCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C(C2=CN(C)N=C2)C1	REAL300006504725	1	62	0.0	-83.48	448.41	9.35	-74.13
CN1C=C(C2C[N@H+](C)CCC2C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=N1	REAL300006504726	0	56	0.0	-73.80	410.57	8.36	-65.44
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=N1	REAL300006504726	1	56	0.0	-86.50	413.60	8.26	-78.24
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)=C2)CC1	REAL300006504731	0	58	0.0	-76.80	433.76	8.77	-68.03
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)C=C2)CC1	REAL300006504732	0	58	0.0	-79.19	433.72	8.78	-70.41
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)C=C2)CC1	REAL300006504732	1	58	0.0	-82.60	433.30	8.66	-73.94
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=C1	REAL300006504733	0	59	0.0	-80.30	440.33	10.47	-69.83
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006504740	0	52	0.0	-75.31	375.75	8.72	-66.59
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006504857	0	60	0.0	-84.09	448.36	8.51	-75.58
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=C1	REAL300006504861	0	49	0.0	-75.58	375.05	9.34	-66.24
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006504862	0	56	0.0	-68.78	411.91	11.26	-57.52
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006504862	1	56	0.0	-72.29	418.05	11.06	-61.23
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006504929	0	48	0.0	-78.45	366.77	8.73	-69.72
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504931	0	52	0.0	-65.21	378.48	8.87	-56.34
CCC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504931	1	52	0.0	-67.18	368.91	8.69	-58.49
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504933	0	49	0.0	-61.79	367.88	9.60	-52.19
CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006504935	0	54	0.0	-75.00	395.63	6.53	-68.47
CCN1CC[NH+](CCC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006504935	1	54	0.0	-73.63	394.49	6.39	-67.24
CC(C)C(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)[NH+]1CCCCC1	REAL300006504937	0	55	0.0	-68.26	387.68	9.88	-58.38
C[NH+](C)C(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006504938	1	49	0.0	-65.75	371.85	9.36	-56.39
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006504942	0	54	0.0	-71.24	409.97	7.29	-63.95
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006504942	1	54	0.0	-72.23	409.98	7.29	-64.94
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006504948	1	50	0.0	-66.50	382.39	9.02	-57.48
C[NH+](C)CC1=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)OC2=CC=CC=C21	REAL300006504949	0	52	0.0	-65.42	402.36	9.70	-55.72
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006504954	0	53	0.0	-67.12	380.02	9.42	-57.70
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006504954	1	53	0.0	-71.10	375.46	9.38	-61.72
CC(C)C(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)[NH+]1CC(C)OC(C)C1	REAL300006504982	1	59	0.0	-64.54	418.74	8.36	-56.18
CC(C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)[NH+]1CCCCCC1	REAL300006504983	0	52	0.0	-65.86	366.03	8.32	-57.54
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)=CC=C1N2	REAL300006505018	1	54	0.0	-80.72	410.20	9.77	-70.95
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)=CC=C1N2	REAL300006505018	1	54	0.0	-80.40	410.14	9.76	-70.64
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)O1	REAL300006505076	0	52	0.0	-77.44	397.40	9.04	-68.40
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CCCC[NH+]1CCCC1	REAL300006505077	0	52	0.0	-74.03	388.61	9.19	-64.84
CC1=CC=C(N2CCC(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)CC2)[NH+]=C1	REAL300006505079	1	55	0.0	-72.39	410.88	8.95	-63.44
C[N@H+](CC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)CC1=CC=CC=C1	REAL300006505080	1	49	0.0	-74.81	373.90	9.46	-65.35
C[N@@H+](CC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C)CC1=CC=CC=C1	REAL300006505080	1	49	0.0	-74.82	373.75	9.46	-65.36
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)C=C2)CC1	REAL300006505084	0	61	0.0	-80.83	439.29	9.49	-71.34
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006505099	1	44	0.0	-79.84	356.36	7.31	-72.53
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=NO1	REAL300006505128	1	45	0.0	-80.48	356.34	6.89	-73.59
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006505133	0	56	0.0	-78.22	421.97	10.84	-67.38
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006505133	1	56	0.0	-78.94	421.31	10.95	-67.99
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=C1	REAL300006505157	0	57	0.0	-81.28	439.54	10.34	-70.94
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006505174	0	50	0.0	-79.41	376.94	7.96	-71.45
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006505180	0	53	0.0	-78.81	402.31	9.45	-69.36
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)[C@@H](C(F)(F)F)C1	REAL300006505221	0	55	0.0	-73.58	411.30	9.06	-64.52
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)[C@@H](C(F)(F)F)C1	REAL300006505221	1	55	0.0	-68.26	409.84	9.14	-59.12
CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C1	REAL300006505366	0	52	0.0	-65.66	374.48	9.09	-56.57
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C1	REAL300006505366	1	52	0.0	-71.25	380.90	8.88	-62.37
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006505399	0	52	0.0	-69.90	369.42	9.02	-60.88
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006505399	1	52	0.0	-67.35	376.00	8.53	-58.82
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300006505402	1	50	0.0	-71.78	370.64	5.06	-66.72
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300006505497	0	57	0.0	-77.72	425.62	11.32	-66.40
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300006505497	1	57	0.0	-78.75	428.07	11.28	-67.47
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300006505536	1	56	0.0	-74.79	422.07	11.09	-63.70
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300006505536	1	56	0.0	-74.48	412.90	10.92	-63.56
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C1	REAL300006505624	0	52	0.0	-69.93	376.15	8.66	-61.27
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C1	REAL300006505624	1	52	0.0	-69.69	376.18	8.66	-61.03
C[N@@H+]1CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C(C(F)(F)F)C1	REAL300006505625	0	46	0.0	-74.43	354.17	7.41	-67.02
C[N@H+]1CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C(C(F)(F)F)C1	REAL300006505625	1	46	0.0	-75.89	353.73	7.59	-68.30
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)N1	REAL300006505650	1	47	0.0	-67.44	368.39	7.20	-60.24
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=C1	REAL300006506132	0	52	0.0	-76.91	397.88	10.20	-66.71
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=C1	REAL300006506139	0	53	0.0	-81.38	404.90	9.14	-72.24
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006506229	0	59	0.0	-72.89	436.70	11.80	-61.09
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)C=C2)CCO1	REAL300006506231	1	57	0.0	-83.95	422.75	9.53	-74.42
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)C=C2)CCO1	REAL300006506231	1	57	0.0	-84.62	429.29	9.56	-75.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)CC1	REAL300006506274	0	52	0.0	-64.66	369.28	8.55	-56.11
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C1	REAL300006506340	0	55	0.0	-71.96	398.52	9.59	-62.37
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C1	REAL300006506340	1	55	0.0	-71.96	398.52	9.59	-62.37
CN(C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)O1	REAL300006506346	0	46	0.0	-80.21	360.54	7.58	-72.63
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)O1	REAL300006506346	1	46	0.0	-80.21	360.54	7.58	-72.63
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C1	REAL300006506352	0	55	0.0	-75.66	387.04	8.99	-66.67
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C1	REAL300006506352	1	55	0.0	-75.66	387.04	8.99	-66.67
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006506355	0	48	0.0	-72.00	354.33	9.16	-62.84
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCCC23OCCC2CC13	REAL300006506436	0	52	0.0	-49.75	375.32	7.59	-42.16
CC1(C(F)F)COCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006506540	0	44	0.0	-50.99	327.58	6.58	-44.41
C=CCN(CC1=CC=C(Br)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006506629	0	47	0.0	-44.79	377.24	11.01	-33.78
C=CCN(CC1=CC=C(Br)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006506629	1	47	0.0	-44.79	377.24	11.01	-33.78
COCCOCCOCC(O)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006506734	0	55	0.0	-50.49	426.48	1.34	-49.15
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CC(C)(C)C1=CN=CC(NC(=O)CN2CCCC(C(=O)[O-])C2)=C1	REAL300006506939	0	48	0.0	-51.09	361.41	7.82	-43.27
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CCC(CCC(=O)[O-])NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC	REAL300006511026	0	54	0.0	-59.39	411.44	10.37	-49.02
CCC(CCC(=O)[O-])NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1	REAL300006511051	1	55	0.0	-56.40	393.74	8.35	-48.05
CCC(CCC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300006511074	1	50	0.0	-74.66	383.98	9.04	-65.62
CCC(CCC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300006511074	1	50	0.0	-74.58	384.18	9.01	-65.57
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(C[NH+](CC)CC)O1	REAL300006511124	0	48	0.0	-67.63	366.86	8.02	-59.61
CCC(CCC(=O)[O-])NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300006511126	1	51	0.0	-62.55	385.07	8.19	-54.36
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300006511129	0	57	0.0	-71.42	417.20	8.96	-62.46
CCC(CCC(=O)[O-])NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006511138	1	40	0.0	-72.87	330.33	6.55	-66.32
CCC(CCC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300006511169	0	52	0.0	-69.67	394.68	10.08	-59.59
CCC(CCC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300006511169	1	52	0.0	-68.83	395.76	10.09	-58.74
CCC(CCC(=O)[O-])NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300006511185	0	53	0.0	-72.63	413.52	9.56	-63.07
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006511201	0	49	0.0	-67.33	377.17	8.80	-58.53
CCC(CCC(=O)[O-])NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300006511227	0	51	0.0	-66.74	385.00	8.32	-58.42
CCC(CCC(=O)[O-])NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300006511227	1	51	0.0	-64.14	384.19	8.36	-55.78
CCC(CCC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300006511428	0	53	0.0	-67.85	399.95	10.59	-57.26
CCC(CCC(=O)[O-])NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300006511428	1	53	0.0	-68.80	400.65	10.63	-58.17
CCC(CCC(=O)[O-])NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300006511457	1	52	0.0	-63.91	392.47	10.20	-53.71
CCC(CCC(=O)[O-])NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300006511457	1	52	0.0	-59.60	381.77	10.00	-49.60
CCC(CCC(=O)[O-])NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300006511525	0	42	0.0	-72.84	335.34	6.84	-66.00
CCC(CCC(=O)[O-])NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300006511525	1	42	0.0	-66.04	334.94	6.84	-59.20
CCC(CCC(=O)[O-])NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300006511895	0	48	0.0	-71.42	371.68	9.44	-61.98
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300006511899	0	49	0.0	-71.49	378.97	8.39	-63.10
CCC(CCC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006511966	0	55	0.0	-64.56	410.75	11.05	-53.51
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300006511968	1	53	0.0	-73.57	396.54	8.77	-64.80
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300006511968	1	53	0.0	-73.76	396.54	8.77	-64.99
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O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CSC(Cl)=C2)C1	REAL300006512096	1	37	0.0	-46.75	317.52	6.95	-39.80
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CC1=CC(C)=C([C@@H](C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300006512344	1	52	0.0	-47.33	376.16	10.42	-36.91
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COC1=CC(C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCO2)=CC=C1F	REAL300006512750	0	52	0.0	-53.56	401.40	8.31	-45.25
COC1=CC(C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCO2)=CC=C1F	REAL300006512750	1	52	0.0	-53.49	395.13	8.44	-45.05
COC1=CC=C(C)C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006512865	0	54	0.0	-51.40	394.71	10.55	-40.85
COC1=CC=C(C)C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006512865	1	54	0.0	-48.81	402.33	10.65	-38.16
O=C([O-])C1CCCC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006514279	0	56	0.0	-81.14	408.10	10.86	-70.28
O=C([O-])C1CCCC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300006515035	0	53	0.0	-71.27	392.45	10.37	-60.90
O=C([O-])C1CCCC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300006515035	1	53	0.0	-69.54	392.96	10.32	-59.22
O=C([O-])C1CCCC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300006515892	1	53	0.0	-74.89	409.18	10.88	-64.01
O=C([O-])C1CCCC(NC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300006515892	1	53	0.0	-72.33	403.61	10.30	-62.03
O=C([O-])C1CCCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300006515969	0	50	0.0	-74.52	356.65	8.53	-65.99
CC1=[NH+]C=C2CCC(C(=O)NC3CCCC(C(=O)[O-])CC3)CN21	REAL300006515999	1	48	0.0	-67.59	354.70	8.38	-59.21
O=C([O-])C1CCCC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300006516000	0	56	0.0	-69.82	410.67	10.77	-59.05
CC1=NC(C[NH+]2CCC(C(=O)NC3CCCC(C(=O)[O-])CC3)CC2)=CS1	REAL300006516074	1	55	0.0	-79.37	415.57	8.63	-70.74
CC(C(=O)NC1CCCC(C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300006516075	1	51	0.0	-72.99	360.33	5.48	-67.51
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2CCCC(C(=O)[O-])CC2)C=C1	REAL300006516161	0	59	0.0	-77.01	440.65	10.36	-66.65
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CCCC(C(=O)[O-])CC2)=C1	REAL300006516173	0	59	0.0	-79.33	441.43	12.69	-66.64
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CCCC(C(=O)[O-])CC2)=C1	REAL300006516173	1	59	0.0	-78.59	441.34	12.70	-65.89
CC1(C(=O)NC2CCCC(C(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006516175	0	59	0.0	-71.73	422.81	11.27	-60.46
O=C([O-])C1CCCC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300006516234	0	41	0.0	-74.53	317.26	9.14	-65.39
C[NH+](C)CC1(C(=O)NC2CCCC(C(=O)[O-])CC2)CCCCC1	REAL300006516264	0	55	0.0	-73.15	373.08	9.26	-63.89
C[N@H+](CCC(=O)NC1CCCC(C(=O)[O-])CC1)C1CCCCC1	REAL300006516268	0	55	0.0	-73.11	385.79	9.18	-63.93
C[N@@H+](CCC(=O)NC1CCCC(C(=O)[O-])CC1)C1CCCCC1	REAL300006516268	1	55	0.0	-73.17	385.80	9.18	-63.99
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006516291	1	56	0.0	-75.31	412.18	10.86	-64.45
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006516291	1	56	0.0	-75.04	412.28	10.90	-64.14
O=C([O-])C1CCCC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006516292	1	53	0.0	-75.88	398.86	10.43	-65.45
O=C([O-])C1CCCC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006516292	1	53	0.0	-73.14	393.28	9.85	-63.29
O=C([O-])C1CCCC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300006516348	0	49	0.0	-83.16	377.03	8.33	-74.83
C[NH+](C)CCN1N=CC(C(=O)NC2CCCC(C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300006516353	0	59	0.0	-82.33	441.07	10.43	-71.90
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300006516377	0	56	0.0	-67.64	379.83	9.59	-58.05
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300006516377	1	56	0.0	-67.90	381.06	9.61	-58.29
O=C([O-])C1CCCC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300006516378	0	57	0.0	-72.17	392.21	7.75	-64.42
CC1=[NH+]C=CN1CCCC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516410	1	47	0.0	-69.98	357.57	8.52	-61.46
O=C(CCCC[NH+]1CCOCC1)NC1CCCC(C(=O)[O-])CC1	REAL300006516411	1	53	0.0	-77.86	385.47	7.26	-70.60
CC[N@H+](CC1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C=C1)C(C)C	REAL300006516413	0	58	0.0	-79.53	405.82	10.55	-68.98
CC[N@@H+](CC1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C=C1)C(C)C	REAL300006516413	1	58	0.0	-78.52	404.75	10.35	-68.17
O=C([O-])C1CCCC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006516437	0	53	0.0	-75.22	392.05	10.08	-65.14
O=C([O-])C1CCCC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006516437	1	53	0.0	-74.61	392.23	10.17	-64.44
O=C([O-])C1CCCC(NC(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300006516438	0	54	0.0	-83.91	390.82	9.51	-74.40
C[NH+]1CCN(C(C(=O)NC2CCCC(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300006516466	1	58	0.0	-70.25	420.47	8.92	-61.33
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1CCCC(C(=O)[O-])CC1	REAL300006516467	0	57	0.0	-75.13	383.77	7.47	-67.66
CC(C(=O)NC1CCCC(C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300006516472	0	52	0.0	-74.16	382.76	9.70	-64.46
CC(C(=O)NC1CCCC(C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300006516472	1	52	0.0	-72.23	381.47	9.58	-62.65
O=C([O-])C1CCCC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300006516483	0	59	0.0	-70.30	424.62	11.93	-58.37
O=C([O-])C1CCCC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300006516483	1	59	0.0	-70.26	424.49	11.89	-58.37
C[NH+](C)CC1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C=N1	REAL300006516511	0	48	0.0	-80.27	361.05	7.26	-73.01
CCC[NH+](CCC)CCCC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516522	0	57	0.0	-74.18	409.76	9.90	-64.28
O=C([O-])C1CCCC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC1	REAL300006516523	1	57	0.0	-73.17	415.19	7.58	-65.59
CC[N@H+](C)C(C(=O)NC1CCCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006516524	0	52	0.0	-69.69	380.07	9.79	-59.90
CC[N@@H+](C)C(C(=O)NC1CCCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006516524	1	52	0.0	-69.14	374.73	9.67	-59.47
CC[NH+](CC)C(C(=O)NC1CCCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006516529	0	55	0.0	-68.45	380.91	9.81	-58.64
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516535	1	47	0.0	-66.62	352.19	8.34	-58.28
C[NH+](C)C(C(=O)NC1CCCC(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300006516537	1	49	0.0	-72.21	378.84	9.61	-62.60
O=C([O-])C1CCCC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300006516551	0	53	0.0	-83.85	390.75	10.34	-73.51
O=C([O-])C1CCCC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300006516558	0	56	0.0	-75.32	406.81	10.97	-64.35
CCN1CCC([NH+]2CCC(C(=O)NC3CCCC(C(=O)[O-])CC3)CC2)CC1	REAL300006516565	0	64	0.0	-78.29	442.06	8.61	-69.68
CC1C[NH+](CC2=CC=C(C(=O)NC3CCCC(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300006516572	1	60	0.0	-86.92	440.83	10.07	-76.85
O=C([O-])C1CCCC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300006516583	1	57	0.0	-83.04	414.11	10.10	-72.94
O=C([O-])C1CCCC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300006516583	1	57	0.0	-82.64	421.43	10.16	-72.48
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300006516599	0	56	0.0	-68.88	405.87	10.82	-58.06
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300006516599	1	56	0.0	-69.22	405.70	10.78	-58.44
CC1=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300006516601	1	47	0.0	-80.95	362.81	7.53	-73.42
O=C([O-])C1CCCC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300006516609	0	56	0.0	-84.07	407.50	11.05	-73.02
O=C([O-])C1CCCC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300006516621	1	49	0.0	-79.64	370.52	7.72	-71.92
C[NH+](C)CCC1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C=C1	REAL300006516622	0	52	0.0	-86.21	388.44	10.03	-76.18
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516633	1	45	0.0	-67.07	337.07	6.76	-60.31
O=C([O-])C1CCCC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300006516634	1	54	0.0	-86.02	401.22	9.64	-76.38
O=C([O-])C1CCCC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300006516634	1	54	0.0	-82.68	394.40	9.49	-73.19
CC(C(=O)NC1CCCC(C(=O)[O-])CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006516648	0	62	0.0	-69.91	444.80	12.09	-57.82
CC(C(=O)NC1CCCC(C(=O)[O-])CC1)[NH+]1CCSCC1	REAL300006516688	1	47	0.0	-71.11	342.76	7.45	-63.66
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516695	0	52	0.0	-75.82	386.16	10.06	-65.76
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516695	1	52	0.0	-75.12	385.64	10.06	-65.06
COCCOCC[N@H+](C)CCC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516696	0	56	0.0	-73.14	415.55	6.20	-66.94
COCCOCC[N@@H+](C)CCC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516696	1	56	0.0	-74.11	415.56	6.22	-67.89
C[N@@H+]1CCCC(O)(CC(=O)NC2CCCC(C(=O)[O-])CC2)C1	REAL300006516700	0	50	0.0	-70.10	347.98	5.77	-64.33
C[N@H+]1CCCC(O)(CC(=O)NC2CCCC(C(=O)[O-])CC2)C1	REAL300006516700	1	50	0.0	-67.28	357.94	5.97	-61.31
O=C([O-])C1CCCC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300006516710	0	61	0.0	-79.49	441.50	9.81	-69.68
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300006516711	1	55	0.0	-75.10	391.51	8.93	-66.17
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300006516711	1	55	0.0	-73.58	400.71	9.04	-64.54
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300006516712	1	55	0.0	-74.92	391.76	8.76	-66.16
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300006516712	1	55	0.0	-74.60	392.47	8.81	-65.79
CCCCCC[N@H+](C)CC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516714	0	54	0.0	-73.63	390.74	9.37	-64.26
CCCCCC[N@@H+](C)CC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516714	1	54	0.0	-72.79	390.23	9.37	-63.42
O=C([O-])C1CCCC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300006516726	1	41	0.0	-79.95	317.53	9.15	-70.80
C[N@H+](CC(=O)NC1CCCC(C(=O)[O-])CC1)C1CCSC1	REAL300006516744	0	47	0.0	-77.86	346.51	7.85	-70.01
C[N@@H+](CC(=O)NC1CCCC(C(=O)[O-])CC1)C1CCSC1	REAL300006516744	1	47	0.0	-76.20	345.77	7.86	-68.34
CC(C)[NH+]1CCN(CCC(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006516759	0	57	0.0	-73.10	402.42	6.82	-66.28
CC(C)N1CC[NH+](CCC(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006516759	1	57	0.0	-75.02	399.27	6.63	-68.39
CC(C)[NH+]1CCN(CCCC(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006516760	0	60	0.0	-70.07	424.23	7.57	-62.50
CC(C)N1CC[NH+](CCCC(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006516760	1	60	0.0	-75.34	420.76	7.45	-67.89
O=C([O-])C1CCCC(NC(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300006516761	0	50	0.0	-67.99	343.17	8.18	-59.81
O=C([O-])C1CCCC(NC(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300006516761	1	50	0.0	-65.01	351.87	8.48	-56.53
C[NH+](C)CCN1C=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C=N1	REAL300006516763	0	49	0.0	-80.04	370.85	7.10	-72.94
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3CCCC(C(=O)[O-])CC3)CC2)=C1	REAL300006516770	0	61	0.0	-79.19	441.41	9.68	-69.51
O=C([O-])C1CCCC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300006516772	0	58	0.0	-79.63	419.39	8.93	-70.70
O=C([O-])C1CCCC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300006516775	0	55	0.0	-76.36	405.05	9.03	-67.33
O=C([O-])C1CCCC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300006516775	1	55	0.0	-76.46	403.10	8.98	-67.48
CC(C(=O)NC1CCCC(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006516780	1	53	0.0	-71.47	383.09	10.14	-61.33
CC(C(=O)NC1CCCC(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006516780	1	53	0.0	-72.97	382.15	10.19	-62.78
O=C([O-])C1CCCC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006516808	0	56	0.0	-77.59	411.58	10.85	-66.74
O=C([O-])C1CCCC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006516808	1	56	0.0	-80.14	414.68	10.96	-69.18
C[NH+](C)CCN1C=CC(C(=O)NC2CCCC(C(=O)[O-])CC2)=N1	REAL300006516823	0	49	0.0	-84.11	371.25	7.15	-76.96
C[NH+](C)CCN1N=CC=C1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516824	0	49	0.0	-67.99	367.34	7.14	-60.85
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516830	1	50	0.0	-68.70	373.07	8.84	-59.86
O=C([O-])C1CCCC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300006516846	0	56	0.0	-76.94	414.69	10.91	-66.03
O=C([O-])C1CCCC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300006516846	1	56	0.0	-72.08	410.27	11.07	-61.01
O=C([O-])C1CCCC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300006516847	1	52	0.0	-67.77	387.87	8.71	-59.06
O=C([O-])C1CCCC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300006516847	1	52	0.0	-73.73	385.44	8.35	-65.38
CC(C[NH+]1CCOCC1)C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516851	0	50	0.0	-73.09	358.69	6.31	-66.78
O=C([O-])C1CCCC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1	REAL300006516852	0	57	0.0	-78.76	417.65	8.38	-70.38
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006516906	1	56	0.0	-81.79	409.28	9.30	-72.49
O=C([O-])C1CCCC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300006516907	0	56	0.0	-71.60	392.78	9.61	-61.99
O=C([O-])C1CCCC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300006516907	1	56	0.0	-74.60	393.66	9.54	-65.06
O=C([O-])C1CCCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300006516926	0	50	0.0	-71.90	344.62	7.76	-64.14
O=C([O-])C1CCCC(NC(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300006516930	0	50	0.0	-69.26	347.95	8.14	-61.12
O=C([O-])C1CCCC(NC(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300006516930	1	50	0.0	-68.05	348.95	8.16	-59.89
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006516938	0	53	0.0	-73.20	370.81	6.89	-66.31
CC(C)[N@@H+]1CCC(C(=O)NC2CCCC(C(=O)[O-])CC2)C(C2=CN(C)N=C2)C1	REAL300006516943	0	62	0.0	-78.91	447.43	9.64	-69.27
CC(C)[N@H+]1CCC(C(=O)NC2CCCC(C(=O)[O-])CC2)C(C2=CN(C)N=C2)C1	REAL300006516943	1	62	0.0	-77.82	430.36	8.88	-68.94
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2CCCC(C(=O)[O-])CC2)C=N1	REAL300006516944	0	56	0.0	-84.59	404.02	8.04	-76.55
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2CCCC(C(=O)[O-])CC2)C=N1	REAL300006516944	1	56	0.0	-86.94	403.90	8.02	-78.92
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3CCCC(C(=O)[O-])CC3)=C2)CC1	REAL300006516949	0	58	0.0	-72.38	423.35	8.52	-63.86
C[NH+]1CCN(CC2=CC=C(C(=O)NC3CCCC(C(=O)[O-])CC3)C=C2)CC1	REAL300006516950	0	58	0.0	-80.25	423.78	8.54	-71.71
CN1CC[NH+](CC2=CC=C(C(=O)NC3CCCC(C(=O)[O-])CC3)C=C2)CC1	REAL300006516950	1	58	0.0	-85.03	424.03	8.49	-76.54
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C=C1	REAL300006516951	0	59	0.0	-82.71	430.94	10.32	-72.39
CC(C)[NH+]1CCC(C(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006516958	0	52	0.0	-76.26	365.91	8.47	-67.79
O=C([O-])C1CCCC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CC1	REAL300006517075	0	60	0.0	-86.65	439.18	8.35	-78.30
C[NH+](C)CC1=CC=CC(C(=O)NC2CCCC(C(=O)[O-])CC2)=C1	REAL300006517079	0	49	0.0	-75.69	364.68	9.10	-66.59
O=C([O-])C1CCCC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006517080	0	56	0.0	-70.45	402.65	11.08	-59.37
O=C([O-])C1CCCC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006517080	1	56	0.0	-70.51	401.93	11.02	-59.49
C#CC[NH+]1CCC(C(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006517147	0	48	0.0	-79.19	356.28	8.44	-70.75
CCC[N@@H+]1CCCCC1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006517149	0	52	0.0	-68.41	360.95	8.45	-59.96
CCC[N@H+]1CCCCC1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006517149	1	52	0.0	-67.43	368.53	8.66	-58.77
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006517151	0	49	0.0	-60.82	358.00	9.38	-51.44
CC[NH+]1CCN(CCC(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006517153	0	54	0.0	-74.66	385.17	6.26	-68.40
CCN1CC[NH+](CCC(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006517153	1	54	0.0	-75.10	385.71	6.28	-68.82
CC(C)C(C(=O)NC1CCCC(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300006517155	0	55	0.0	-66.05	375.70	9.67	-56.38
C[NH+](C)C(C(=O)NC1CCCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006517156	1	49	0.0	-67.77	362.04	9.09	-58.68
O=C([O-])C1CCCC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006517160	0	54	0.0	-72.99	400.31	7.15	-65.84
O=C([O-])C1CCCC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006517160	1	54	0.0	-72.32	400.60	7.04	-65.28
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006517166	1	50	0.0	-65.82	372.79	8.74	-57.08
C[NH+](C)CC1=C(C(=O)NC2CCCC(C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300006517167	0	52	0.0	-64.61	386.46	9.45	-55.16
O=C([O-])C1CCCC(NC(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300006517172	0	53	0.0	-73.03	364.59	9.55	-63.48
O=C([O-])C1CCCC(NC(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300006517172	1	53	0.0	-69.34	373.36	9.02	-60.32
CC(C)C(C(=O)NC1CCCC(C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300006517200	1	59	0.0	-68.37	408.82	9.02	-59.35
CC(C(=O)NC1CCCC(C(=O)[O-])CC1)[NH+]1CCCCCC1	REAL300006517201	0	52	0.0	-67.61	357.27	8.08	-59.53
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCCC(C(=O)[O-])CC3)=CC=C1N2	REAL300006517236	1	54	0.0	-80.04	400.57	9.57	-70.47
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCCC(C(=O)[O-])CC3)=CC=C1N2	REAL300006517236	1	54	0.0	-80.04	400.78	9.55	-70.49
CC[NH+](CC)CC1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)O1	REAL300006517294	0	52	0.0	-79.58	382.89	8.52	-71.06
O=C([O-])C1CCCC(NC(=O)CCCC[NH+]2CCCC2)CC1	REAL300006517295	0	52	0.0	-74.58	378.54	8.99	-65.59
CC1=CC=C(N2CCC(C(=O)NC3CCCC(C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300006517297	1	55	0.0	-73.55	401.15	8.71	-64.84
C[N@H+](CC(=O)NC1CCCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300006517298	1	49	0.0	-76.54	363.86	9.27	-67.27
C[N@@H+](CC(=O)NC1CCCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300006517298	1	49	0.0	-75.98	363.21	9.21	-66.77
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3CCCC(C(=O)[O-])CC3)C=C2)CC1	REAL300006517302	0	61	0.0	-79.60	432.68	9.47	-70.13
O=C([O-])C1CCCC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300006517317	1	44	0.0	-80.77	346.34	7.07	-73.70
C[NH+](C)CC1=CC(C(=O)NC2CCCC(C(=O)[O-])CC2)=NO1	REAL300006517346	1	45	0.0	-81.26	346.15	6.65	-74.61
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006517351	0	56	0.0	-82.30	410.80	10.58	-71.72
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006517351	1	56	0.0	-76.20	408.85	10.70	-65.50
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CCCC(C(=O)[O-])CC2)C=C1	REAL300006517375	0	57	0.0	-79.85	429.06	10.08	-69.77
C[NH+]1CCC(OCC(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006517392	0	50	0.0	-78.90	366.55	7.70	-71.20
O=C([O-])C1CCCC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300006517398	0	53	0.0	-80.27	392.12	9.21	-71.06
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2CCCC(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300006517439	0	55	0.0	-76.58	401.12	8.82	-67.76
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2CCCC(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300006517439	1	55	0.0	-73.62	400.63	8.87	-64.75
CCC[N@@H+]1CCCC(C(=O)NC2CCCC(C(=O)[O-])CC2)C1	REAL300006517584	0	52	0.0	-65.20	364.09	8.85	-56.35
CCC[N@H+]1CCCC(C(=O)NC2CCCC(C(=O)[O-])CC2)C1	REAL300006517584	1	52	0.0	-72.63	370.89	8.66	-63.97
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006517617	0	52	0.0	-72.60	360.55	7.93	-64.67
CC(C)C[N@H+]1CCCC1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006517617	1	52	0.0	-71.11	361.21	7.94	-63.17
O=C([O-])C1CCCC(NC(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300006517620	0	50	0.0	-72.15	361.18	4.78	-67.37
O=C([O-])C1CCCC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300006517715	0	57	0.0	-75.93	418.30	11.10	-64.83
O=C([O-])C1CCCC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300006517715	1	57	0.0	-79.46	416.19	11.13	-68.33
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300006517754	1	56	0.0	-70.25	413.79	10.91	-59.34
O=C([O-])C1CCCC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300006517754	1	56	0.0	-75.50	412.69	10.84	-64.66
CC(C)[N@@H+]1CCCC(C(=O)NC2CCCC(C(=O)[O-])CC2)C1	REAL300006517842	0	52	0.0	-64.74	359.82	8.66	-56.08
CC(C)[N@H+]1CCCC(C(=O)NC2CCCC(C(=O)[O-])CC2)C1	REAL300006517842	1	52	0.0	-65.63	360.30	8.62	-57.01
C[N@@H+]1CC(C(=O)NC2CCCC(C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006517843	0	46	0.0	-75.79	336.74	7.76	-68.03
C[N@H+]1CC(C(=O)NC2CCCC(C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006517843	1	46	0.0	-79.38	344.93	7.25	-72.13
CC1=C(C)[NH+]=C(CCC(=O)NC2CCCC(C(=O)[O-])CC2)N1	REAL300006517868	1	47	0.0	-68.74	357.33	6.91	-61.83
C[NH+](C)CCC1=CC=CC(C(=O)NC2CCCC(C(=O)[O-])CC2)=C1	REAL300006518350	0	52	0.0	-76.63	387.22	9.94	-66.69
C[NH+](C)CCOC1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C=C1	REAL300006518357	0	53	0.0	-84.24	395.74	8.98	-75.26
O=C([O-])C1CCCC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006518447	0	59	0.0	-73.39	426.82	11.58	-61.81
CC1C[N@H+](CC2=CC=C(C(=O)NC3CCCC(C(=O)[O-])CC3)C=C2)CCO1	REAL300006518449	1	57	0.0	-85.72	419.30	9.32	-76.40
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CCCC(C(=O)[O-])CC3)C=C2)CCO1	REAL300006518449	1	57	0.0	-84.68	419.38	9.35	-75.33
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCCC(C(=O)[O-])CC2)CC1	REAL300006518492	0	52	0.0	-71.63	359.38	8.33	-63.30
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCCC(C(=O)[O-])CC2)C1	REAL300006518558	0	55	0.0	-71.97	388.26	9.34	-62.63
CC(C)C[N@H+]1CCCC(C(=O)NC2CCCC(C(=O)[O-])CC2)C1	REAL300006518558	1	55	0.0	-71.97	388.26	9.34	-62.63
CN(C)CC1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)O1	REAL300006518564	0	46	0.0	-81.62	350.52	7.33	-74.29
C[NH+](C)CC1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)O1	REAL300006518564	1	46	0.0	-81.62	350.52	7.33	-74.29
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CCCC(C(=O)[O-])CC2)C1	REAL300006518570	0	55	0.0	-77.47	371.20	8.42	-69.05
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CCCC(C(=O)[O-])CC2)C1	REAL300006518570	1	55	0.0	-77.47	371.20	8.42	-69.05
O=C([O-])C1CCCC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300006518573	0	48	0.0	-72.07	342.65	8.92	-63.15
O=C([O-])C1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCCC2	REAL300006519635	0	57	0.0	-64.85	410.05	11.98	-52.87
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC12CCCC2	REAL300006520958	0	51	0.0	-60.96	367.07	9.98	-50.98
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)CN12	REAL300006520985	1	49	0.0	-56.83	363.12	9.67	-47.16
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)CC2)=CS1	REAL300006521048	1	56	0.0	-64.35	417.07	10.00	-54.35
CC(C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)N1CC[NH+](C)CC1	REAL300006521049	1	52	0.0	-65.72	365.21	6.74	-58.98
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=C1	REAL300006521121	0	60	0.0	-67.23	446.99	11.80	-55.43
O=C([O-])C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC12CCCC2	REAL300006521178	0	42	0.0	-66.63	329.93	10.45	-56.18
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CCCCC1	REAL300006521206	0	56	0.0	-34.84	356.56	9.61	-25.23
C[N@H+](CCC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)C1CCCCC1	REAL300006521210	0	56	0.0	-60.75	391.30	10.62	-50.13
C[N@@H+](CCC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)C1CCCCC1	REAL300006521210	1	56	0.0	-55.18	391.73	10.62	-44.56
O=C([O-])C1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC12CCCC2	REAL300006521271	0	50	0.0	-68.82	378.52	9.26	-59.56
O=C([O-])C1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC12CCCC2	REAL300006521286	0	58	0.0	-58.69	394.20	8.85	-49.84
CC1=[NH+]C=CN1CCCC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521313	1	48	0.0	-60.06	363.83	9.93	-50.13
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCOCC2)CC12CCCC2	REAL300006521314	1	54	0.0	-66.64	391.15	8.63	-58.01
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=C1)C(C)C	REAL300006521315	0	59	0.0	-64.95	412.83	11.56	-53.39
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=C1)C(C)C	REAL300006521315	1	59	0.0	-65.22	406.24	11.27	-53.95
O=C([O-])C1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300006521334	0	54	0.0	-63.81	394.98	11.37	-52.44
O=C([O-])C1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300006521334	1	54	0.0	-59.26	397.29	11.40	-47.86
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC12CCCC2	REAL300006521335	0	55	0.0	-68.28	397.00	10.80	-57.48
O=C([O-])C1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC12CCCC2	REAL300006521363	0	58	0.0	-62.05	390.71	8.95	-53.10
CCC(C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)[NH+](CC)CC	REAL300006521367	0	52	0.0	-52.51	357.69	9.32	-43.19
CC(C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300006521369	0	53	0.0	-56.11	386.31	10.98	-45.13
CC(C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006521369	1	53	0.0	-55.01	386.00	10.92	-44.09
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC12CCCC2	REAL300006521377	0	60	0.0	-59.90	428.27	13.02	-46.88
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC12CCCC2	REAL300006521377	1	60	0.0	-69.60	428.46	13.04	-56.56
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=N1	REAL300006521391	0	49	0.0	-66.57	366.63	8.71	-57.86
CCC[NH+](CCC)CCCC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521398	0	58	0.0	-63.01	410.96	10.96	-52.05
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521406	1	48	0.0	-54.28	358.62	9.75	-44.53
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC12CCCC2	REAL300006521420	0	54	0.0	-68.04	392.73	11.26	-56.78
O=C([O-])C1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC12CCCC2	REAL300006521425	0	57	0.0	-61.51	411.90	12.02	-49.49
CCN1CCC([NH+]2CCC(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)CC2)CC1	REAL300006521430	0	65	0.0	-62.30	443.81	9.70	-52.60
O=C([O-])C1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC12CCCC2	REAL300006521449	1	58	0.0	-69.56	428.94	11.66	-57.90
O=C([O-])C1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC12CCCC2	REAL300006521449	1	58	0.0	-68.77	429.32	11.65	-57.12
CC1=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300006521464	1	48	0.0	-81.53	364.93	8.58	-72.95
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC12CCCC2	REAL300006521467	0	57	0.0	-68.50	409.50	11.97	-56.53
O=C([O-])C1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC12CCCC2	REAL300006521478	1	50	0.0	-73.62	375.74	9.46	-64.16
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=C1	REAL300006521479	0	53	0.0	-71.82	390.43	10.95	-60.87
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521485	1	46	0.0	-53.01	343.42	7.68	-45.33
O=C([O-])C1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC12CCCC2	REAL300006521486	1	55	0.0	-61.14	404.56	10.89	-50.25
O=C([O-])C1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC12CCCC2	REAL300006521486	1	55	0.0	-57.11	398.17	10.71	-46.40
CC(C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006521495	0	63	0.0	-49.01	449.93	13.45	-35.56
CC(C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)[NH+]1CCSCC1	REAL300006521529	1	48	0.0	-56.77	350.44	8.96	-47.81
C[N@H+](CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)CC(C)(C)C	REAL300006521535	0	52	0.0	-56.65	360.71	9.42	-47.23
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)CC(C)(C)C	REAL300006521535	1	52	0.0	-56.19	362.51	9.50	-46.69
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521537	0	53	0.0	-61.25	392.01	11.45	-49.80
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521537	1	53	0.0	-61.31	392.01	11.45	-49.86
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521538	0	57	0.0	-54.97	421.64	7.65	-47.32
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521538	1	57	0.0	-62.87	421.07	7.68	-55.19
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006521541	0	51	0.0	-60.68	355.90	7.29	-53.39
C[N@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006521541	1	51	0.0	-62.37	350.62	7.30	-55.07
O=C([O-])C1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC12CCCC2	REAL300006521551	0	62	0.0	-67.57	447.17	11.18	-56.39
CCCCCC[N@H+](C)CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521553	0	55	0.0	-58.46	396.61	10.76	-47.70
CCCCCC[N@@H+](C)CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521553	1	55	0.0	-58.41	396.59	10.77	-47.64
O=C([O-])C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC12CCCC2	REAL300006521567	1	42	0.0	-84.95	330.05	10.48	-74.47
C[N@H+](CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)C1CCSC1	REAL300006521582	0	48	0.0	-62.11	352.36	9.25	-52.86
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)C1CCSC1	REAL300006521582	1	48	0.0	-53.21	356.15	9.29	-43.92
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006521595	0	58	0.0	-61.85	408.22	8.22	-53.63
CC(C)N1CC[NH+](CCC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006521595	1	58	0.0	-60.85	404.71	8.02	-52.83
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006521596	0	61	0.0	-62.61	429.73	9.02	-53.59
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006521596	1	61	0.0	-63.37	426.55	8.85	-54.52
O=C([O-])C1CN(C(=O)C2CCCC3CCC[N@@H+]32)CC12CCCC2	REAL300006521597	0	51	0.0	-48.24	347.57	9.24	-39.00
O=C([O-])C1CN(C(=O)C2CCCC3CCC[N@H+]32)CC12CCCC2	REAL300006521597	1	51	0.0	-52.18	355.32	9.62	-42.56
C[NH+](C)CCN1C=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=N1	REAL300006521599	0	50	0.0	-86.02	374.34	8.22	-77.80
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)CC2)=C1	REAL300006521602	0	62	0.0	-65.30	447.07	11.05	-54.25
O=C([O-])C1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC12CCCC2	REAL300006521604	0	59	0.0	-65.30	425.66	10.38	-54.92
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC12CCCC2	REAL300006521606	0	56	0.0	-63.63	401.67	10.31	-53.32
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC12CCCC2	REAL300006521606	1	56	0.0	-65.55	404.94	10.08	-55.47
CC(C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006521611	1	54	0.0	-56.53	384.25	11.24	-45.29
CC(C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006521611	1	54	0.0	-55.89	391.55	11.38	-44.51
O=C([O-])C1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300006521631	0	57	0.0	-63.12	418.34	12.27	-50.85
O=C([O-])C1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300006521631	1	57	0.0	-66.14	418.19	12.27	-53.87
C[NH+](C)CCN1C=CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=N1	REAL300006521645	0	50	0.0	-70.84	375.82	8.79	-62.05
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521646	0	50	0.0	-63.41	369.09	8.22	-55.19
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521647	1	51	0.0	-55.54	378.83	10.25	-45.29
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC[N@@H+]1C	REAL300006521650	0	50	0.0	-64.03	352.07	8.64	-55.39
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC[N@H+]1C	REAL300006521650	1	50	0.0	-60.39	353.51	9.10	-51.29
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=NN1	REAL300006521653	1	51	0.0	-71.82	370.03	7.80	-64.02
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=NN1	REAL300006521653	1	51	0.0	-72.06	368.88	7.76	-64.30
CC1C[N@H+](C)CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)O1	REAL300006521660	1	48	0.0	-67.48	343.23	8.09	-59.39
CC1C[N@@H+](C)CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)O1	REAL300006521660	1	48	0.0	-90.13	350.21	8.10	-82.03
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC12CCCC2	REAL300006521664	0	57	0.0	-64.23	410.38	12.16	-52.07
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC12CCCC2	REAL300006521664	1	57	0.0	-66.70	419.30	12.05	-54.65
CC(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521669	0	51	0.0	-55.98	365.79	7.61	-48.37
O=C([O-])C1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC12CCCC2	REAL300006521670	0	58	0.0	-64.84	422.89	9.76	-55.08
CC1CC[NH+](CC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006521680	0	50	0.0	-48.87	355.89	9.48	-39.39
CC[N@@H+]1CCOC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006521693	1	48	0.0	-33.48	330.88	7.59	-25.89
CC[N@H+]1CCOC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006521693	1	48	0.0	-63.96	339.19	7.82	-56.14
O=C([O-])C1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC12CCCC2	REAL300006521725	0	57	0.0	-59.72	397.64	10.84	-48.88
O=C([O-])C1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC12CCCC2	REAL300006521725	1	57	0.0	-58.32	396.08	10.82	-47.50
C[N@@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521731	0	50	0.0	-62.63	361.75	9.57	-53.06
C[N@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521731	1	50	0.0	-53.29	359.29	9.42	-43.87
O=C([O-])C1CN(C(=O)C2CCC3CCCC[N@@H+]32)CC12CCCC2	REAL300006521743	0	51	0.0	-52.31	353.36	9.46	-42.85
O=C([O-])C1CN(C(=O)C2CCC3CCCC[N@H+]32)CC12CCCC2	REAL300006521743	1	51	0.0	-52.58	360.76	9.87	-42.71
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)=C2)CC1	REAL300006521757	0	59	0.0	-73.85	428.05	9.57	-64.28
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)C=C2)CC1	REAL300006521758	0	59	0.0	-65.02	424.70	9.32	-55.70
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)C=C2)CC1	REAL300006521758	1	59	0.0	-69.11	425.04	9.39	-59.72
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=C1	REAL300006521759	0	60	0.0	-68.48	432.44	11.24	-57.24
CC(C)[NH+]1CCC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006521767	0	53	0.0	-60.09	367.85	9.59	-50.50
O=C([O-])C1CN(C(=O)C23CC[N@H+](C2)CCC3)CC12CCCC2	REAL300006521840	0	48	0.0	-77.73	328.34	7.93	-69.80
O=C([O-])C1CN(C(=O)C23CC[N@@H+](C2)CCC3)CC12CCCC2	REAL300006521840	1	48	0.0	-53.34	327.73	7.91	-45.43
CC1CCC(C)[NH+]1CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521880	0	50	0.0	-46.19	351.94	8.95	-37.24
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=C1	REAL300006521881	0	50	0.0	-70.10	368.44	10.11	-59.99
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300006521882	0	57	0.0	-57.18	412.24	12.01	-45.17
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300006521882	1	57	0.0	-71.52	415.71	12.17	-59.35
C#CC[NH+]1CCC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006521933	0	49	0.0	-64.62	358.71	9.60	-55.02
CC[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006521935	0	55	0.0	-63.00	390.31	7.55	-55.45
CCN1CC[NH+](CCC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006521935	1	55	0.0	-60.88	391.47	7.70	-53.18
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006521942	1	51	0.0	-51.48	378.73	10.18	-41.30
CC(C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)[NH+]1CCCCCC1	REAL300006521973	0	53	0.0	-53.71	361.35	9.39	-44.32
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)=CC=C1N2	REAL300006522007	1	55	0.0	-65.50	402.71	10.52	-54.98
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)=CC=C1N2	REAL300006522007	1	55	0.0	-65.03	404.41	10.52	-54.51
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)O1	REAL300006522050	0	53	0.0	-62.36	388.05	10.01	-52.35
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCCC2)CC12CCCC2	REAL300006522051	0	53	0.0	-63.60	384.21	10.36	-53.24
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)CC2)[NH+]=C1	REAL300006522053	1	56	0.0	-59.83	407.28	9.99	-49.84
C[N@H+](CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)CC1=CC=CC=C1	REAL300006522054	1	50	0.0	-60.08	369.54	10.60	-49.48
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C2(CCCC2)C1)CC1=CC=CC=C1	REAL300006522054	1	50	0.0	-59.98	369.52	10.60	-49.38
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)C=C2)CC1	REAL300006522058	0	62	0.0	-68.39	435.95	10.49	-57.90
O=C([O-])C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC12CCCC2	REAL300006522074	1	45	0.0	-85.03	349.32	8.15	-76.88
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=NO1	REAL300006522098	1	46	0.0	-75.18	349.33	8.26	-66.92
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006522102	0	57	0.0	-62.27	413.63	12.10	-50.17
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006522102	1	57	0.0	-58.32	411.31	11.82	-46.50
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006522120	0	50	0.0	-53.16	344.85	9.26	-43.90
CC(C)[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C2(CCCC2)C1	REAL300006522120	1	50	0.0	-55.10	344.32	9.27	-45.83
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=C1	REAL300006522127	0	58	0.0	-71.72	434.13	11.47	-60.25
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006522142	0	51	0.0	-67.82	372.82	9.18	-58.64
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC12CCCC2	REAL300006522147	0	54	0.0	-62.83	397.36	10.71	-52.12
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006522295	0	53	0.0	-61.39	374.51	9.82	-51.57
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006522295	1	53	0.0	-66.47	369.12	10.02	-56.45
O=C([O-])C1CN(C(=O)C[NH+]2CCC(CO)CC2)CC12CCCC2	REAL300006522323	0	51	0.0	-49.81	366.76	6.17	-43.64
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006522507	0	53	0.0	-61.46	364.74	9.64	-51.82
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006522507	1	53	0.0	-53.84	364.19	9.78	-44.06
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C(C(F)(F)F)C1	REAL300006522508	0	47	0.0	-64.24	339.00	8.57	-55.67
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C(C(F)(F)F)C1	REAL300006522508	1	47	0.0	-62.12	348.79	8.36	-53.76
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)N1	REAL300006522530	1	48	0.0	-56.71	364.51	8.37	-48.34
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=C1	REAL300006522927	0	53	0.0	-72.03	390.93	10.96	-61.07
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=C1	REAL300006522935	0	54	0.0	-69.92	397.26	9.88	-60.04
O=C([O-])C1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCCC2	REAL300006523028	0	60	0.0	-66.03	432.59	12.98	-53.05
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)C=C2)CCO1	REAL300006523030	1	58	0.0	-73.55	424.10	10.36	-63.19
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)C=C2)CCO1	REAL300006523030	1	58	0.0	-72.00	422.54	10.33	-61.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)CC1	REAL300006523060	0	53	0.0	-77.21	363.82	9.50	-67.71
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)=CN21	REAL300006523064	0	45	0.0	-78.86	351.38	10.24	-68.62
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006523114	0	56	0.0	-69.14	396.06	10.70	-58.44
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006523114	1	56	0.0	-55.84	392.23	10.55	-45.29
CC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006523115	0	50	0.0	-64.24	347.79	9.30	-54.94
CC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C1	REAL300006523115	1	50	0.0	-61.26	355.87	9.22	-52.04
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)O1	REAL300006523121	1	47	0.0	-62.90	355.77	8.83	-54.07
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC12CCCC2	REAL300006523129	0	49	0.0	-51.97	351.70	9.50	-42.47
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC12CCCC2	REAL300006523129	1	49	0.0	-70.69	350.09	10.28	-60.41
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006524220	0	54	0.0	-83.85	404.44	12.15	-71.70
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006525557	0	48	0.0	-76.71	359.03	9.93	-66.78
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CCC4)CC3C(=O)[O-])CN12	REAL300006525578	1	46	0.0	-68.75	351.73	9.63	-59.12
CC1=NC(C[NH+]2CCC(C(=O)N3CC4(CCC4)CC3C(=O)[O-])CC2)=CS1	REAL300006525641	1	53	0.0	-81.14	411.61	10.18	-70.96
CC(C(=O)N1CC2(CCC2)CC1C(=O)[O-])N1CC[NH+](C)CC1	REAL300006525642	1	49	0.0	-59.53	350.63	6.53	-53.00
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300006525712	0	57	0.0	-67.46	434.41	11.54	-55.92
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=C1	REAL300006525717	0	57	0.0	-57.26	434.40	13.47	-43.79
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=C1	REAL300006525717	1	57	0.0	-61.87	436.82	13.61	-48.26
C[NH+](C)CC1(C(=O)N2CC3(CCC3)CC2C(=O)[O-])CCCCC1	REAL300006525790	0	53	0.0	-26.09	354.54	10.02	-16.07
C[N@H+](CCC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1CCCCC1	REAL300006525793	0	53	0.0	-40.67	378.77	10.39	-30.28
C[N@@H+](CCC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1CCCCC1	REAL300006525793	1	53	0.0	-41.63	379.81	10.47	-31.16
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006525855	0	47	0.0	-62.97	370.98	9.08	-53.89
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006525872	0	55	0.0	-84.60	397.17	9.12	-75.48
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006525899	1	45	0.0	-49.65	351.32	9.71	-39.94
O=C([O-])C1CC2(CCC2)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300006525900	1	51	0.0	-56.79	379.51	8.46	-48.33
CC[N@H+](CC1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1)C(C)C	REAL300006525901	0	56	0.0	-84.93	407.26	11.63	-73.30
CC[N@@H+](CC1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1)C(C)C	REAL300006525901	1	56	0.0	-62.29	400.02	11.21	-51.08
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006525919	0	51	0.0	-69.59	389.83	11.42	-58.17
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006525919	1	51	0.0	-48.21	382.06	11.12	-37.09
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006525920	0	52	0.0	-81.92	384.97	10.49	-71.43
O=C([O-])C1CC2(CCC2)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006525949	0	55	0.0	-45.58	377.10	8.65	-36.93
CC(C(=O)N1CC2(CCC2)CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006525952	0	50	0.0	-30.43	371.19	10.61	-19.82
CC(C(=O)N1CC2(CCC2)CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006525952	1	50	0.0	-34.10	374.68	10.79	-23.31
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006525960	0	57	0.0	-73.71	425.66	12.85	-60.86
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006525960	1	57	0.0	-79.20	428.05	12.94	-66.26
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C=N1	REAL300006525976	0	46	0.0	-62.96	355.67	8.16	-54.80
CCC[NH+](CCC)CCCC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006525983	0	55	0.0	-50.76	399.33	10.79	-39.97
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006525990	1	45	0.0	-40.28	349.24	9.67	-30.61
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006526003	0	51	0.0	-59.82	378.96	11.08	-48.74
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006526008	0	54	0.0	-53.05	399.26	11.74	-41.31
CCN1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)CC3C(=O)[O-])CC2)CC1	REAL300006526014	0	62	0.0	-51.63	435.47	9.62	-42.01
CC1C[NH+](CC2=CC=C(C(=O)N3CC4(CCC4)CC3C(=O)[O-])C=C2)CC(C)O1	REAL300006526021	1	58	0.0	-62.08	432.49	10.76	-51.32
O=C([O-])C1CC2(CCC2)CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006526032	1	55	0.0	-50.12	406.35	11.24	-38.88
O=C([O-])C1CC2(CCC2)CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006526032	1	55	0.0	-56.79	414.69	11.33	-45.46
CC1=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006526047	1	45	0.0	-70.91	353.82	8.35	-62.56
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006526050	0	54	0.0	-90.09	400.66	11.90	-78.19
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006526061	1	47	0.0	-67.20	361.30	9.25	-57.95
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300006526062	0	50	0.0	-66.82	376.64	10.77	-56.05
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526067	1	43	0.0	-38.75	333.49	7.49	-31.26
O=C([O-])C1CC2(CCC2)CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006526068	1	52	0.0	-53.84	383.95	10.54	-43.30
O=C([O-])C1CC2(CCC2)CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006526068	1	52	0.0	-53.53	391.45	10.73	-42.80
CC(C(=O)N1CC2(CCC2)CC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006526078	0	60	0.0	-65.64	440.65	13.58	-52.06
CC(C(=O)N1CC2(CCC2)CC1C(=O)[O-])[NH+]1CCSCC1	REAL300006526107	1	45	0.0	-34.34	337.43	8.66	-25.68
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526114	0	50	0.0	-37.79	379.49	11.20	-26.59
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526114	1	50	0.0	-39.93	382.62	11.38	-28.55
COCCOCC[N@H+](C)CCC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526115	0	54	0.0	-46.31	409.53	7.51	-38.80
COCCOCC[N@@H+](C)CCC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526115	1	54	0.0	-47.60	409.54	7.52	-40.08
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300006526118	0	48	0.0	-51.44	341.15	7.00	-44.44
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300006526118	1	48	0.0	-51.30	339.02	7.14	-44.16
O=C([O-])C1CC2(CCC2)CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006526125	0	59	0.0	-52.79	435.64	11.02	-41.77
CCCCCC[N@H+](C)CC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526127	0	52	0.0	-37.39	387.20	10.70	-26.69
CCCCCC[N@@H+](C)CC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526127	1	52	0.0	-36.52	385.06	10.60	-25.92
C[N@H+](CC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1CCSC1	REAL300006526152	0	45	0.0	-38.31	342.86	9.18	-29.13
C[N@@H+](CC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1CCSC1	REAL300006526152	1	45	0.0	-38.85	340.71	9.07	-29.78
CC(C)[NH+]1CCN(CCC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300006526165	0	55	0.0	-53.44	398.86	8.14	-45.30
CC(C)N1CC[NH+](CCC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300006526165	1	55	0.0	-41.89	396.09	8.03	-33.86
CC(C)[NH+]1CCN(CCCC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300006526166	0	58	0.0	-58.92	412.08	8.41	-50.51
CC(C)N1CC[NH+](CCCC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300006526166	1	58	0.0	-49.85	414.70	8.65	-41.20
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300006526167	0	48	0.0	-58.63	349.62	9.73	-48.90
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300006526167	1	48	0.0	-60.14	349.58	10.08	-50.06
C[NH+](C)CCN1C=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C=N1	REAL300006526169	0	47	0.0	-84.11	362.98	8.48	-75.63
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4(CCC4)CC3C(=O)[O-])CC2)=C1	REAL300006526172	0	59	0.0	-45.52	435.45	10.87	-34.65
O=C([O-])C1CC2(CCC2)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006526174	0	56	0.0	-45.02	414.15	10.21	-34.81
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006526176	0	53	0.0	-42.48	387.73	10.43	-32.05
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006526176	1	53	0.0	-72.46	399.35	10.25	-62.21
CC(C(=O)N1CC2(CCC2)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006526181	1	51	0.0	-62.99	381.94	11.43	-51.56
CC(C(=O)N1CC2(CCC2)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006526181	1	51	0.0	-36.34	372.89	11.05	-25.29
O=C([O-])C1CC2(CCC2)CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006526204	0	54	0.0	-50.59	402.75	11.96	-38.63
O=C([O-])C1CC2(CCC2)CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006526204	1	54	0.0	-52.74	406.84	12.12	-40.62
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300006526217	0	47	0.0	-66.52	362.50	8.68	-57.84
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526218	0	47	0.0	-52.86	355.32	7.98	-44.88
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526219	1	48	0.0	-43.88	367.31	10.08	-33.80
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=NN1	REAL300006526223	1	48	0.0	-63.55	364.52	8.28	-55.27
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=NN1	REAL300006526223	1	48	0.0	-62.67	363.97	8.21	-54.46
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006526232	0	54	0.0	-71.31	400.95	12.56	-58.75
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006526232	1	54	0.0	-72.36	410.89	12.17	-60.19
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526236	1	48	0.0	-59.06	357.09	7.71	-51.35
O=C([O-])C1CC2(CCC2)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006526237	0	55	0.0	-46.39	411.90	9.63	-36.76
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006526280	0	54	0.0	-46.65	382.68	10.57	-36.08
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006526280	1	54	0.0	-45.32	382.04	10.52	-34.80
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300006526296	0	48	0.0	-61.19	351.96	9.86	-51.33
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300006526296	1	48	0.0	-62.21	344.35	9.57	-52.64
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4(CCC4)CC3C(=O)[O-])=C2)CC1	REAL300006526310	0	56	0.0	-57.13	416.37	9.31	-47.82
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4(CCC4)CC3C(=O)[O-])C=C2)CC1	REAL300006526311	0	56	0.0	-66.64	412.76	9.35	-57.29
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4(CCC4)CC3C(=O)[O-])C=C2)CC1	REAL300006526311	1	56	0.0	-60.72	415.70	9.18	-51.54
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300006526312	0	57	0.0	-61.98	419.15	11.08	-50.90
CC(C)[NH+]1CCC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300006526318	0	50	0.0	-45.67	357.69	9.42	-36.25
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006526405	0	58	0.0	-61.77	427.39	9.09	-52.68
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=C1	REAL300006526409	0	47	0.0	-58.48	357.74	9.89	-48.59
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006526410	0	54	0.0	-63.57	396.48	12.24	-51.33
O=C([O-])C1CC2(CCC2)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006526410	1	54	0.0	-62.60	392.83	12.03	-50.57
C#CC[NH+]1CCC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300006526456	0	46	0.0	-85.03	353.06	9.78	-75.25
CC[NH+]1CCN(CCC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300006526459	0	52	0.0	-55.94	382.12	7.63	-48.31
CCN1CC[NH+](CCC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300006526459	1	52	0.0	-41.90	379.45	7.49	-34.41
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526466	1	48	0.0	-41.26	364.07	9.90	-31.36
CC(C(=O)N1CC2(CCC2)CC1C(=O)[O-])[NH+]1CCCCCC1	REAL300006526495	0	50	0.0	-37.25	344.27	9.11	-28.14
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCC4)CC3C(=O)[O-])=CC=C1N2	REAL300006526527	1	52	0.0	-75.96	395.10	10.42	-65.54
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCC4)CC3C(=O)[O-])=CC=C1N2	REAL300006526527	1	52	0.0	-75.51	395.22	10.39	-65.12
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])O1	REAL300006526571	0	50	0.0	-53.25	377.74	10.51	-42.74
O=C([O-])C1CC2(CCC2)CN1C(=O)CCCC[NH+]1CCCC1	REAL300006526572	0	50	0.0	-54.52	371.06	10.08	-44.44
CC1=CC=C(N2CCC(C(=O)N3CC4(CCC4)CC3C(=O)[O-])CC2)[NH+]=C1	REAL300006526574	1	53	0.0	-79.26	397.41	9.98	-69.28
C[N@H+](CC(=O)N1CC2(CCC2)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300006526575	1	47	0.0	-35.54	357.02	10.36	-25.18
C[N@@H+](CC(=O)N1CC2(CCC2)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300006526575	1	47	0.0	-36.47	358.01	10.44	-26.03
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4(CCC4)CC3C(=O)[O-])C=C2)CC1	REAL300006526579	0	59	0.0	-66.11	427.22	10.31	-55.80
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006526590	1	42	0.0	-59.49	335.43	7.88	-51.61
C[NH+](C)CC1=CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=NO1	REAL300006526612	1	43	0.0	-69.49	337.00	8.19	-61.30
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526618	0	54	0.0	-49.02	401.91	11.63	-37.39
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300006526618	1	54	0.0	-84.03	408.44	12.04	-71.99
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300006526641	0	55	0.0	-70.23	424.70	11.33	-58.90
C[NH+]1CCC(OCC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300006526653	0	48	0.0	-61.13	360.30	8.94	-52.19
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006526659	0	51	0.0	-53.47	382.94	10.95	-42.52
CCC[N@@H+]1CCCC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300006526796	0	50	0.0	-74.19	368.13	9.90	-64.29
CCC[N@H+]1CCCC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300006526796	1	50	0.0	-74.51	368.10	9.91	-64.60
O=C([O-])C1CC2(CCC2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006526825	0	48	0.0	-35.84	354.80	6.01	-29.83
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300006526995	0	50	0.0	-43.59	360.35	9.55	-34.04
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300006526995	1	50	0.0	-62.41	353.86	9.87	-52.54
C[N@@H+]1CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C(C(F)(F)F)C1	REAL300006526996	0	44	0.0	-81.22	339.18	8.36	-72.86
C[N@H+]1CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C(C(F)(F)F)C1	REAL300006526996	1	44	0.0	-58.42	345.45	8.56	-49.86
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CCC3)CC2C(=O)[O-])N1	REAL300006527020	1	45	0.0	-40.79	350.58	8.08	-32.71
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=C1	REAL300006527394	0	50	0.0	-64.06	380.19	10.72	-53.34
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300006527400	0	51	0.0	-63.54	384.04	9.74	-53.80
O=C([O-])C1CC2(CCC2)CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006527483	0	57	0.0	-55.62	420.05	12.74	-42.88
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4(CCC4)CC3C(=O)[O-])C=C2)CCO1	REAL300006527485	1	55	0.0	-63.20	414.24	10.21	-52.99
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4(CCC4)CC3C(=O)[O-])C=C2)CCO1	REAL300006527485	1	55	0.0	-66.27	407.46	10.17	-56.10
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300006527511	0	50	0.0	-54.50	348.56	9.45	-45.05
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CCC4)CC3C(=O)[O-])=CN21	REAL300006527516	0	42	0.0	-49.55	326.74	9.68	-39.87
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300006527564	0	53	0.0	-60.62	373.71	11.16	-49.46
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300006527564	1	53	0.0	-63.16	376.08	10.79	-52.37
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])O1	REAL300006527569	1	44	0.0	-57.75	342.43	9.15	-48.60
O=C([O-])C1CC2(CCC2)CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006527576	0	46	0.0	-26.05	334.54	9.19	-16.86
O=C([O-])C1CC2(CCC2)CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006527576	1	46	0.0	-28.23	330.56	9.21	-19.02
CN1C=C(C2=CC=C(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)C=N1	REAL300006527659	0	50	0.0	-52.04	390.62	8.70	-43.34
CN1C=C(C2=CC=C(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)C=N1	REAL300006527659	1	50	0.0	-53.13	396.82	8.73	-44.40
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CO)CC3C=CC2C3)C1	REAL300006527779	0	49	0.0	-45.04	351.25	5.93	-39.11
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(CO)CC3C=CC2C3)C1	REAL300006527779	1	49	0.0	-50.02	359.77	5.29	-44.73
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(O)CCC3=CC=CC=C3C2)C1	REAL300006527899	0	51	0.0	-52.34	377.54	6.97	-45.37
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(O)CCC3=CC=CC=C3C2)C1	REAL300006527899	1	51	0.0	-52.87	383.73	7.00	-45.87
CC(C)C(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OCCO	REAL300006528000	0	50	0.0	-51.28	371.66	3.19	-48.09
CC(C)C(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OCCO	REAL300006528000	1	50	0.0	-44.74	371.90	2.95	-41.79
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC3(CCCCC3)C2)C1	REAL300006528114	0	56	0.0	-46.00	371.32	10.78	-35.22
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC3(CCCCC3)C2)C1	REAL300006528114	1	56	0.0	-45.23	371.36	10.77	-34.46
CC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC1(F)F	REAL300006528218	0	46	0.0	-49.60	335.29	9.10	-40.50
CC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC1(F)F	REAL300006528218	1	46	0.0	-47.97	337.90	9.47	-38.50
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2CC2C2=CC=CC=C2)C1	REAL300006528319	0	57	0.0	-50.97	440.02	13.36	-37.61
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2CC2C2=CC=CC=C2)C1	REAL300006528319	1	57	0.0	-47.14	420.76	12.10	-35.04
C[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006528415	0	43	0.0	-48.26	335.44	8.41	-39.85
C[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006528415	1	43	0.0	-47.08	329.94	8.42	-38.66
CC1CC(C2CCCCC2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006528533	0	56	0.0	-46.46	393.39	11.14	-35.32
CC1CC(C2CCCCC2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006528533	1	56	0.0	-45.74	398.81	11.13	-34.61
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006529889	0	54	0.0	-73.19	409.19	8.84	-64.35
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300006530634	0	51	0.0	-59.61	391.82	9.20	-50.41
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006530634	1	51	0.0	-60.35	392.96	8.43	-51.92
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006531558	0	48	0.0	-71.69	364.40	7.08	-64.61
CC1=[NH+]C=C2CCC(C(=O)NC(CC3CCOC3)C(=O)[O-])CN21	REAL300006531591	1	46	0.0	-62.22	358.89	6.76	-55.46
O=C([O-])C(CC1CCOC1)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006531592	0	54	0.0	-60.46	405.37	8.65	-51.81
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3CCOC3)C(=O)[O-])CC2)=CS1	REAL300006531666	1	53	0.0	-70.83	416.23	6.87	-63.96
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006531667	1	49	0.0	-70.55	364.37	3.82	-66.73
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300006531752	0	57	0.0	-78.42	445.38	8.68	-69.74
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300006531764	0	57	0.0	-79.78	446.15	11.02	-68.76
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300006531764	1	57	0.0	-78.71	444.86	11.04	-67.67
CC1(C(=O)NC(CC2CCOC2)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300006531766	0	57	0.0	-52.23	418.80	9.25	-42.98
O=C([O-])C(CC1CCOC1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006531825	0	39	0.0	-71.65	320.40	7.40	-64.25
C[NH+](C)CC1(C(=O)NC(CC2CCOC2)C(=O)[O-])CCCCC1	REAL300006531855	0	53	0.0	-61.46	347.70	8.51	-52.95
C[N@H+](CCC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCCCC1	REAL300006531859	0	53	0.0	-68.19	389.70	7.54	-60.65
C[N@@H+](CCC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCCCC1	REAL300006531859	1	53	0.0	-68.67	388.40	7.55	-61.12
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006531881	1	54	0.0	-56.46	406.97	9.08	-47.38
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006531881	1	54	0.0	-60.16	410.41	8.80	-51.36
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006531882	1	51	0.0	-57.26	394.40	8.08	-49.18
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006531882	1	51	0.0	-59.53	389.40	8.69	-50.84
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006531938	0	47	0.0	-79.21	379.24	6.60	-72.61
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006531966	0	54	0.0	-58.50	385.22	7.90	-50.60
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300006531966	1	54	0.0	-58.26	383.74	7.90	-50.36
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006531967	0	55	0.0	-65.26	390.82	5.75	-59.51
CC1=[NH+]C=CN1CCCC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006531999	1	45	0.0	-66.15	362.04	6.91	-59.24
O=C(CCCC[NH+]1CCOCC1)NC(CC1CCOC1)C(=O)[O-]	REAL300006532000	1	51	0.0	-73.00	389.34	5.59	-67.41
CC[N@H+](CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=C1)C(C)C	REAL300006532002	0	56	0.0	-84.05	408.27	8.78	-75.27
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=C1)C(C)C	REAL300006532002	1	56	0.0	-81.94	407.31	8.74	-73.20
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006532026	0	51	0.0	-65.69	395.12	8.45	-57.24
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006532026	1	51	0.0	-64.78	395.18	8.47	-56.31
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006532027	0	52	0.0	-79.37	390.37	7.64	-71.73
C[NH+]1CCN(C(C(=O)NC(CC2CCOC2)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300006532055	1	56	0.0	-67.51	420.67	7.72	-59.79
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(CC1CCOC1)C(=O)[O-]	REAL300006532056	0	55	0.0	-70.15	386.97	5.73	-64.42
CCC(C(=O)NC(CC1CCOC1)C(=O)[O-])[NH+](CC)CC	REAL300006532060	0	49	0.0	-53.10	357.58	6.29	-46.81
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006532062	0	50	0.0	-65.03	385.08	7.93	-57.10
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006532062	1	50	0.0	-61.26	385.11	7.90	-53.36
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006532073	0	57	0.0	-55.00	423.03	10.78	-44.22
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006532073	1	57	0.0	-68.61	429.94	10.60	-58.01
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=N1	REAL300006532101	0	46	0.0	-75.21	362.06	5.24	-69.97
CCC[NH+](CCC)CCCC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532112	0	55	0.0	-67.53	409.16	7.92	-59.61
O=C([O-])C(CC1CCOC1)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300006532113	1	55	0.0	-54.47	418.60	5.91	-48.56
CC[N@H+](C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300006532114	0	50	0.0	-56.38	373.45	7.76	-48.62
CC[N@@H+](C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300006532114	1	50	0.0	-60.95	382.51	8.09	-52.86
CC[NH+](CC)C(C(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300006532119	0	53	0.0	-53.53	391.66	8.23	-45.30
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532126	1	45	0.0	-59.64	355.67	6.70	-52.94
C[NH+](C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300006532128	1	47	0.0	-57.98	381.62	7.91	-50.07
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006532142	0	51	0.0	-83.83	392.95	8.60	-75.23
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006532149	0	54	0.0	-74.90	411.00	9.29	-65.61
CCN1CCC([NH+]2CCC(C(=O)NC(CC3CCOC3)C(=O)[O-])CC2)CC1	REAL300006532156	0	62	0.0	-67.06	440.46	6.56	-60.50
CC1C[NH+](CC2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CC(C)O1	REAL300006532163	1	58	0.0	-86.47	443.02	8.33	-78.14
O=C([O-])C(CC1CCOC1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006532174	1	55	0.0	-77.05	424.45	8.51	-68.54
O=C([O-])C(CC1CCOC1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006532174	1	55	0.0	-77.53	415.59	8.10	-69.43
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300006532190	0	54	0.0	-58.70	409.97	9.19	-49.51
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300006532190	1	54	0.0	-51.57	394.70	8.59	-42.98
CC1=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006532192	1	45	0.0	-76.65	361.51	5.53	-71.12
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006532200	0	54	0.0	-83.97	409.39	9.25	-74.72
O=C([O-])C(CC1CCOC1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006532212	1	47	0.0	-78.68	373.40	6.04	-72.64
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300006532213	0	50	0.0	-87.38	390.63	8.29	-79.09
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532224	1	43	0.0	-55.22	334.92	4.70	-50.52
O=C([O-])C(CC1CCOC1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006532225	1	52	0.0	-73.45	398.24	7.79	-65.66
O=C([O-])C(CC1CCOC1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006532225	1	52	0.0	-67.13	400.72	8.50	-58.63
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006532239	0	60	0.0	-62.45	448.21	10.42	-52.03
C[N@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])CC(C)(C)C	REAL300006532286	0	49	0.0	-60.98	358.50	6.33	-54.65
C[N@@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])CC(C)(C)C	REAL300006532286	1	49	0.0	-60.61	360.13	6.52	-54.09
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532288	0	50	0.0	-64.51	389.12	8.40	-56.11
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532288	1	50	0.0	-63.47	389.68	8.44	-55.03
COCCOCC[N@H+](C)CCC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532289	0	54	0.0	-64.29	414.70	5.12	-59.17
COCCOCC[N@@H+](C)CCC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532289	1	54	0.0	-71.14	418.41	4.52	-66.62
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006532293	0	48	0.0	-66.30	350.79	4.12	-62.18
C[N@H+]1CCCC(O)(CC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006532293	1	48	0.0	-70.39	348.17	4.15	-66.24
O=C([O-])C(CC1CCOC1)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006532303	0	59	0.0	-75.32	444.02	7.99	-67.33
CCCCCC[N@H+](C)CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532307	0	52	0.0	-62.70	393.72	7.71	-54.99
CCCCCC[N@@H+](C)CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532307	1	52	0.0	-62.71	395.01	7.72	-54.99
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006532319	1	39	0.0	-78.79	320.67	7.42	-71.37
C[N@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCSC1	REAL300006532337	0	45	0.0	-60.83	347.60	5.86	-54.97
C[N@@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCSC1	REAL300006532337	1	45	0.0	-63.55	349.26	6.21	-57.34
CC(C)[NH+]1CCN(CCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006532353	0	55	0.0	-66.20	400.97	4.80	-61.40
CC(C)N1CC[NH+](CCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006532353	1	55	0.0	-62.19	397.29	4.60	-57.59
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006532354	0	58	0.0	-71.09	427.40	5.98	-65.11
CC(C)N1CC[NH+](CCCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006532354	1	58	0.0	-71.73	423.39	5.65	-66.08
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006532355	0	48	0.0	-54.05	354.89	6.83	-47.22
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300006532355	1	48	0.0	-51.40	348.56	7.21	-44.19
C[NH+](C)CCN1C=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=N1	REAL300006532357	0	47	0.0	-79.21	375.39	5.50	-73.71
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC3CCOC3)C(=O)[O-])CC2)=C1	REAL300006532364	0	59	0.0	-68.90	445.52	7.94	-60.96
O=C([O-])C(CC1CCOC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006532366	0	56	0.0	-67.76	420.90	6.96	-60.80
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006532369	0	53	0.0	-64.17	395.41	8.15	-56.02
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006532369	1	53	0.0	-64.88	388.80	7.93	-56.95
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006532374	1	51	0.0	-58.04	381.78	9.02	-49.02
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006532374	1	51	0.0	-56.14	380.53	8.14	-48.00
O=C([O-])C(CC1CCOC1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006532402	0	54	0.0	-74.77	415.04	9.19	-65.58
O=C([O-])C(CC1CCOC1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006532402	1	54	0.0	-72.05	413.58	8.86	-63.19
C[NH+](C)CCN1C=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300006532417	0	47	0.0	-83.61	372.79	5.11	-78.50
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532418	0	47	0.0	-57.20	366.24	6.15	-51.05
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532424	1	48	0.0	-62.11	376.50	7.21	-54.90
CC1C[N@H+](C)CC(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300006532435	1	45	0.0	-68.36	339.56	5.76	-62.60
CC1C[N@@H+](C)CC(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300006532435	1	45	0.0	-79.67	341.82	4.74	-74.93
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006532441	0	54	0.0	-66.81	411.45	9.64	-57.17
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006532441	1	54	0.0	-60.44	400.51	9.69	-50.75
CC(C[NH+]1CCOCC1)C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532447	0	48	0.0	-66.67	362.62	4.67	-62.00
O=C([O-])C(CC1CCOC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006532448	0	55	0.0	-65.26	416.14	6.38	-58.88
CC[N@@H+]1CCOC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006532470	1	45	0.0	-68.21	343.18	4.71	-63.50
CC[N@H+]1CCOC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006532470	1	45	0.0	-52.19	336.04	4.53	-47.66
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006532503	1	54	0.0	-73.42	409.91	7.18	-66.24
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006532504	0	54	0.0	-68.02	395.70	7.82	-60.20
O=C([O-])C(CC1CCOC1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006532504	1	54	0.0	-69.64	395.75	7.78	-61.86
O=C([O-])C(CC1CCOC1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300006532523	0	48	0.0	-67.11	342.42	6.62	-60.49
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532527	1	45	0.0	-63.57	330.54	2.60	-60.97
C[N@H+]1CC(O)CC1(C)C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532527	1	45	0.0	-72.84	331.52	2.15	-70.69
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006532528	0	48	0.0	-54.30	358.87	6.97	-47.33
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300006532528	1	48	0.0	-57.09	357.76	6.88	-50.21
CC(C)(C[NH+]1CCOCC1)C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532536	0	51	0.0	-64.20	371.88	5.11	-59.09
CC(C)[N@@H+]1CCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006532541	0	60	0.0	-73.70	441.20	7.67	-66.03
CC(C)[N@H+]1CCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006532541	1	60	0.0	-69.07	430.37	7.94	-61.13
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC2CCOC2)C(=O)[O-])C=N1	REAL300006532542	0	54	0.0	-73.86	402.93	6.90	-66.96
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC2CCOC2)C(=O)[O-])C=N1	REAL300006532542	1	54	0.0	-72.71	411.26	7.25	-65.46
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC3CCOC3)C(=O)[O-])=C2)CC1	REAL300006532547	0	56	0.0	-76.65	427.00	6.80	-69.85
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CC1	REAL300006532548	0	56	0.0	-78.68	427.18	6.69	-71.99
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CC1	REAL300006532548	1	56	0.0	-85.15	426.46	6.69	-78.46
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300006532549	0	57	0.0	-83.19	433.37	8.52	-74.67
CC(C)[NH+]1CCC(C(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006532556	0	50	0.0	-65.05	364.52	6.47	-58.58
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006532675	0	58	0.0	-85.12	441.38	6.61	-78.51
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300006532679	0	47	0.0	-74.54	369.49	7.44	-67.10
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006532680	0	54	0.0	-62.51	405.04	9.56	-52.95
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006532680	1	54	0.0	-60.74	406.07	9.31	-51.43
C#CC[NH+]1CCC(C(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006532748	0	46	0.0	-72.11	357.36	6.43	-65.68
CCC[N@@H+]1CCCCC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532750	0	50	0.0	-57.50	363.31	6.89	-50.61
CCC[N@H+]1CCCCC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532750	1	50	0.0	-56.30	367.58	7.53	-48.77
C[NH+](C)CC1=CC=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532752	0	47	0.0	-48.90	358.95	7.35	-41.55
CC[NH+]1CCN(CCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006532754	0	52	0.0	-70.48	383.06	4.14	-66.34
CCN1CC[NH+](CCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006532754	1	52	0.0	-64.36	389.68	4.65	-59.71
CC(C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCCCC1	REAL300006532756	0	53	0.0	-59.95	376.91	7.66	-52.29
C[NH+](C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300006532757	1	47	0.0	-50.12	360.32	7.11	-43.01
O=C([O-])C(CC1CCOC1)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006532761	0	52	0.0	-62.13	405.27	5.52	-56.61
O=C([O-])C(CC1CCOC1)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006532761	1	52	0.0	-59.13	398.97	5.07	-54.06
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532767	1	48	0.0	-62.43	375.40	7.11	-55.32
C[NH+](C)CC1=C(C(=O)NC(CC2CCOC2)C(=O)[O-])OC2=CC=CC=C21	REAL300006532768	0	50	0.0	-61.09	396.59	7.80	-53.29
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006532773	0	51	0.0	-52.78	357.05	7.57	-45.21
O=C([O-])C(CC1CCOC1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006532773	1	51	0.0	-66.07	357.27	6.79	-59.28
CC(C)C(C(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300006532801	1	57	0.0	-53.52	412.61	6.49	-47.03
CC(C(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006532802	0	50	0.0	-57.99	361.32	6.68	-51.31
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCOC3)C(=O)[O-])=CC=C1N2	REAL300006532837	1	52	0.0	-80.33	399.49	8.41	-71.92
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCOC3)C(=O)[O-])=CC=C1N2	REAL300006532837	1	52	0.0	-80.99	404.43	7.83	-73.16
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300006532895	0	50	0.0	-78.11	390.58	7.07	-71.04
O=C(CCCC[NH+]1CCCC1)NC(CC1CCOC1)C(=O)[O-]	REAL300006532896	0	50	0.0	-69.94	379.43	6.94	-63.00
CC1=CC=C(N2CCC(C(=O)NC(CC3CCOC3)C(=O)[O-])CC2)[NH+]=C1	REAL300006532898	1	53	0.0	-69.71	402.12	6.69	-63.02
C[N@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])CC1=CC=CC=C1	REAL300006532899	1	47	0.0	-65.92	366.89	7.48	-58.44
C[N@@H+](CC(=O)NC(CC1CCOC1)C(=O)[O-])CC1=CC=CC=C1	REAL300006532899	1	47	0.0	-65.17	367.94	7.55	-57.62
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CC1	REAL300006532903	0	59	0.0	-83.38	436.40	7.77	-75.61
O=C([O-])C(CC1CCOC1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006532918	1	42	0.0	-78.26	350.58	5.39	-72.87
C[NH+](C)CC1=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=NO1	REAL300006532947	1	43	0.0	-77.71	349.58	5.04	-72.67
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532952	0	54	0.0	-69.84	415.78	9.00	-60.84
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006532952	1	54	0.0	-67.20	405.20	9.37	-57.83
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300006532976	0	55	0.0	-82.16	433.80	8.40	-73.76
C[NH+]1CCC(OCC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006532993	0	48	0.0	-77.14	371.03	6.09	-71.05
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006532999	0	51	0.0	-78.96	395.07	7.56	-71.40
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC2CCOC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006533040	0	53	0.0	-71.89	405.08	7.19	-64.70
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC2CCOC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006533040	1	53	0.0	-64.42	398.22	6.80	-57.62
CCC[N@@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006533183	0	50	0.0	-63.21	374.17	7.00	-56.21
CCC[N@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006533183	1	50	0.0	-53.37	363.12	7.75	-45.62
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006533216	0	50	0.0	-56.35	376.13	7.22	-49.13
CC(C)C[N@H+]1CCCC1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006533216	1	50	0.0	-59.70	374.26	7.05	-52.65
O=C([O-])C(CC1CCOC1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006533217	1	48	0.0	-64.65	363.94	3.15	-61.50
O=C([O-])C(CC1CCOC1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300006533314	0	55	0.0	-79.82	419.20	9.47	-70.35
O=C([O-])C(CC1CCOC1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300006533314	1	55	0.0	-75.83	416.71	9.04	-66.79
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300006533352	1	54	0.0	-61.10	403.48	8.94	-52.16
O=C([O-])C(CC1CCOC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300006533352	1	54	0.0	-54.27	406.05	9.02	-45.25
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006533440	0	50	0.0	-62.20	365.19	7.33	-54.87
CC(C)[N@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006533440	1	50	0.0	-56.84	363.09	6.98	-49.86
C[N@@H+]1CC(C(=O)NC(CC2CCOC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006533441	0	44	0.0	-73.31	342.67	6.20	-67.11
C[N@H+]1CC(C(=O)NC(CC2CCOC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006533441	1	44	0.0	-67.97	354.18	5.61	-62.36
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2CCOC2)C(=O)[O-])N1	REAL300006533467	1	45	0.0	-60.23	361.31	5.29	-54.94
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300006533946	0	50	0.0	-75.45	387.42	8.77	-66.68
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300006533953	0	51	0.0	-84.64	398.17	7.19	-77.45
O=C([O-])C(CC1CCOC1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006534042	0	57	0.0	-66.90	430.26	9.95	-56.95
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CCO1	REAL300006534044	1	55	0.0	-83.43	416.79	7.60	-75.83
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3CCOC3)C(=O)[O-])C=C2)CCO1	REAL300006534044	1	55	0.0	-86.52	415.74	7.55	-78.97
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300006534089	0	50	0.0	-67.74	362.74	6.69	-61.05
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006534156	0	53	0.0	-64.73	392.44	7.62	-57.11
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006534156	1	53	0.0	-64.73	392.44	7.62	-57.11
CN(C)CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300006534162	0	44	0.0	-80.98	353.48	5.68	-75.30
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300006534162	1	44	0.0	-80.98	353.48	5.68	-75.30
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006534168	0	53	0.0	-76.25	372.54	6.65	-69.60
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300006534168	1	53	0.0	-76.25	372.54	6.65	-69.60
O=C([O-])C(CC1CCOC1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006534171	0	46	0.0	-66.95	340.77	6.70	-60.25
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006534967	0	47	0.0	-70.49	385.60	10.37	-60.12
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300006534981	0	44	0.0	-58.92	368.46	9.95	-48.97
C[NH+](C)CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535019	0	36	0.0	-61.63	315.91	7.57	-54.06
C[N@@H+]1CCCCC1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535020	0	43	0.0	-56.21	358.11	9.10	-47.11
C[N@H+]1CCCCC1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535020	1	43	0.0	-56.23	358.07	9.12	-47.11
CC(C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006535021	1	48	0.0	-66.57	388.59	7.40	-59.17
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535042	0	43	0.0	-54.92	357.21	9.16	-45.76
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535042	1	43	0.0	-63.77	348.76	8.93	-54.84
C[NH+]1CCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300006535063	0	43	0.0	-68.84	360.69	9.18	-59.66
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006535081	0	38	0.0	-71.51	346.32	11.03	-60.48
C[N@@H+]1CCCC1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535106	0	40	0.0	-59.52	341.96	8.56	-50.96
C[N@H+]1CCCC1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535106	1	40	0.0	-54.68	342.64	8.51	-46.17
C[NH+]1CCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300006535137	0	43	0.0	-68.84	360.69	9.18	-59.66
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535159	1	44	0.0	-62.33	386.23	10.46	-51.87
C[C@@H](C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])[NH+](C)C	REAL300006535164	0	39	0.0	-56.58	333.44	7.95	-48.63
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535165	0	40	0.0	-58.33	336.09	8.08	-50.25
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535165	1	40	0.0	-61.39	342.43	8.58	-52.81
C[C@H](C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])[NH+](C)C	REAL300006535169	0	39	0.0	-53.25	333.43	7.95	-45.30
C[NH+](C)C1(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300006535177	0	40	0.0	-67.27	336.77	9.00	-58.27
CCC(C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])[NH+](CC)CC	REAL300006535225	0	48	0.0	-55.23	378.75	9.52	-45.71
C[N@@H+]1CCOC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006535236	1	41	0.0	-64.60	343.21	7.69	-56.91
C[N@H+]1CCOC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006535236	1	41	0.0	-73.60	346.14	7.87	-65.73
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535242	1	44	0.0	-59.20	381.80	10.25	-48.95
C[NH+](C)CC1(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300006535249	0	43	0.0	-73.45	367.96	9.25	-64.20
C[NH+](C)CCCCC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535253	0	45	0.0	-74.29	381.28	9.70	-64.59
CC(C)C(C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])[NH+](C)C	REAL300006535263	0	45	0.0	-57.78	360.37	9.05	-48.73
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535275	1	42	0.0	-55.32	365.39	8.60	-46.72
CCC[N@H+](C)CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535279	0	42	0.0	-60.52	355.14	8.99	-51.53
CCC[N@@H+](C)CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535279	1	42	0.0	-61.28	355.38	8.92	-52.36
C[N@H+](CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])C1CCC1	REAL300006535292	0	43	0.0	-58.44	362.14	9.56	-48.88
C[N@@H+](CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])C1CCC1	REAL300006535292	1	43	0.0	-58.03	362.03	9.55	-48.48
C[N@H+](CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])CC(C)(C)C	REAL300006535302	0	48	0.0	-60.89	383.99	9.91	-50.98
C[N@@H+](CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])CC(C)(C)C	REAL300006535302	1	48	0.0	-60.52	385.93	10.06	-50.46
CC[C@@H](C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])[NH+](C)C	REAL300006535304	0	42	0.0	-55.17	346.75	8.53	-46.64
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006535306	0	47	0.0	-64.56	383.60	7.93	-56.63
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006535306	1	47	0.0	-59.44	386.40	7.87	-51.57
CCCCCC[N@H+](C)CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535325	0	51	0.0	-62.16	419.88	11.26	-50.90
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535325	1	51	0.0	-56.64	419.83	11.28	-45.36
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C12CCC[NH+]1CCC2	REAL300006535330	0	44	0.0	-57.08	358.01	9.46	-47.62
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006535336	1	38	0.0	-79.31	346.59	11.04	-68.27
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006535352	0	47	0.0	-56.27	380.71	10.35	-45.92
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300006535352	1	47	0.0	-59.27	372.01	10.12	-49.15
CCCC(C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])[NH+](C)C	REAL300006535365	0	45	0.0	-56.80	368.06	9.28	-47.52
C[C@@H]1[C@H](C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006535372	0	43	0.0	-70.74	350.97	8.43	-62.31
C[C@@H]1[C@H](C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC[N@H+]1C	REAL300006535372	1	43	0.0	-65.71	357.51	8.92	-56.79
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006535375	0	46	0.0	-72.48	372.23	9.22	-63.26
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC[N@H+]1C	REAL300006535375	1	46	0.0	-62.34	377.79	9.62	-52.72
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535377	1	42	0.0	-54.25	361.94	9.35	-44.90
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535377	1	42	0.0	-52.26	368.44	9.86	-42.40
CC1C[N@H+](C)CC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])O1	REAL300006535380	1	44	0.0	-73.78	367.69	8.75	-65.03
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])O1	REAL300006535380	1	44	0.0	-73.78	367.11	8.70	-65.08
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C[NH+]1CCCC1	REAL300006535384	0	40	0.0	-60.44	341.40	8.72	-51.72
CC1=[NH+]C=CN1CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535386	1	38	0.0	-54.45	345.52	9.14	-45.31
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535387	0	47	0.0	-62.99	387.41	8.24	-54.75
CC1CC[NH+](CC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300006535404	0	46	0.0	-60.77	378.87	10.07	-50.70
CC[N@@H+]1CCOC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006535408	1	44	0.0	-66.61	371.29	8.61	-58.00
CC[N@H+]1CCOC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006535408	1	44	0.0	-50.62	364.15	8.44	-42.18
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535421	0	46	0.0	-74.42	383.47	10.01	-64.41
C[N@H+]1CCCC1CCC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535421	1	46	0.0	-68.44	378.03	9.52	-58.92
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300006535427	0	47	0.0	-67.12	373.48	9.74	-57.38
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535428	1	44	0.0	-74.72	358.45	5.57	-69.15
C[N@H+]1CC(O)CC1(C)C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535428	1	44	0.0	-71.45	358.72	5.58	-65.87
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006535429	0	47	0.0	-61.17	376.69	10.05	-51.12
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300006535429	1	47	0.0	-61.46	376.88	9.99	-51.47
CC[NH+](CC)CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535436	0	42	0.0	-60.70	352.23	8.86	-51.84
CC(C)[NH+]1CCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300006535437	0	49	0.0	-74.24	391.38	10.13	-64.11
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C12CC[NH+](CC1)C2	REAL300006535474	0	41	0.0	-72.44	347.48	8.09	-64.35
CCC(C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])[NH+](C)C	REAL300006535477	0	42	0.0	-55.97	346.56	8.57	-47.40
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300006535480	0	44	0.0	-66.94	357.48	8.80	-58.14
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300006535480	1	44	0.0	-81.84	356.93	8.84	-73.00
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535501	0	46	0.0	-58.01	373.19	9.39	-48.62
C[NH+](C)C1(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CCC1	REAL300006535520	0	43	0.0	-73.99	349.50	8.97	-65.02
C#CC[NH+]1CCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300006535532	0	45	0.0	-75.55	385.41	10.31	-65.24
CCC[N@@H+]1CCCCC1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535533	0	49	0.0	-55.13	385.84	10.33	-44.80
CCC[N@H+]1CCCCC1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535533	1	49	0.0	-56.57	387.95	10.34	-46.23
CC(C)[N@H+](C)CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535534	0	42	0.0	-58.51	350.33	8.77	-49.74
CC(C)[N@@H+](C)CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535534	1	42	0.0	-57.84	350.34	8.78	-49.06
CC[N@H+](CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])C1CC1	REAL300006535543	0	43	0.0	-57.22	364.51	9.61	-47.61
CC[N@@H+](CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])C1CC1	REAL300006535543	1	43	0.0	-57.75	360.95	9.27	-48.48
CC(C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006535553	0	49	0.0	-57.42	387.25	10.28	-47.14
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535555	0	40	0.0	-54.67	342.11	8.54	-46.13
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535555	1	40	0.0	-58.30	336.13	8.07	-50.23
CC(C)(C)[NH2+]CC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535591	0	42	0.0	-59.40	355.10	7.23	-52.17
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)CCCC[NH+]1CCCC1	REAL300006535592	0	49	0.0	-72.98	407.48	10.81	-62.17
CC(C)[C@@H](C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-])[NH+](C)C	REAL300006535599	0	45	0.0	-55.28	358.82	9.42	-45.86
C[NH+](C)CC1=CC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])=NO1	REAL300006535618	1	42	0.0	-75.31	373.36	8.53	-66.78
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535625	0	46	0.0	-63.67	364.94	9.60	-54.07
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535625	1	46	0.0	-57.42	373.61	9.57	-47.85
C[NH+]1CCC(OCC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300006535637	0	47	0.0	-73.80	395.22	9.64	-64.16
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006535705	0	49	0.0	-59.13	393.33	10.80	-48.33
CCC[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006535705	1	49	0.0	-57.23	393.65	10.74	-46.49
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535718	0	49	0.0	-53.96	400.64	10.76	-43.20
CC(C)C[N@H+]1CCCC1C(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300006535718	1	49	0.0	-58.70	400.15	10.70	-48.00
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006535719	1	47	0.0	-61.71	389.94	6.69	-55.02
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006535803	0	49	0.0	-66.57	395.04	10.30	-56.27
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006535803	1	49	0.0	-60.60	394.18	10.34	-50.26
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])N1	REAL300006535816	1	44	0.0	-62.89	386.39	8.79	-54.10
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006536064	0	43	0.0	-62.51	365.48	9.32	-53.19
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300006536068	0	49	0.0	-70.80	388.45	10.21	-60.59
CC[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006536094	0	46	0.0	-59.07	371.89	10.06	-49.01
CC[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006536094	1	46	0.0	-61.81	377.49	9.83	-51.98
C[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006536098	0	43	0.0	-59.89	354.49	9.34	-50.55
C[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300006536098	1	43	0.0	-68.50	360.73	9.12	-59.38
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])O1	REAL300006536100	1	43	0.0	-73.55	378.75	9.28	-64.27
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006536103	0	45	0.0	-64.77	373.04	10.13	-54.64
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006536103	1	45	0.0	-71.48	350.44	9.76	-61.72
CCC1=CSC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006536147	1	42	0.0	-48.55	344.54	5.92	-42.63
CCC1=CSC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006536147	1	42	0.0	-48.92	344.98	5.94	-42.98
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=CC=NC3=CC=CC=C23)C1	REAL300006536257	0	51	0.0	-54.52	397.60	9.22	-45.30
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=CC=NC3=CC=CC=C23)C1	REAL300006536257	1	51	0.0	-52.59	391.44	9.20	-43.39
CC(C)(C)C(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OCCO	REAL300006536413	0	53	0.0	-45.93	388.24	3.82	-42.11
CC(C)(C)C(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OCCO	REAL300006536413	1	53	0.0	-50.85	394.32	3.99	-46.86
O=C([O-])C1CCC[N@H+](CC(=O)NC2=NN(CC3=CC=C(F)C=C3)C=C2)C1	REAL300006536539	1	47	0.0	-54.42	381.04	9.98	-44.44
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=NN(CC3=CC=C(F)C=C3)C=C2)C1	REAL300006536539	1	47	0.0	-53.52	379.85	9.96	-43.56
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006536669	0	47	0.0	-48.69	375.68	9.39	-39.30
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006536669	1	47	0.0	-51.58	383.17	9.83	-41.75
CC1=CC=CC(C(CCO)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006536783	0	50	0.0	-47.76	374.66	6.19	-41.57
CC1=CC=CC(C(CCO)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006536783	1	50	0.0	-50.76	381.39	6.23	-44.53
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CCO)C2=CC=C(F)C=C2F)C1	REAL300006536889	0	47	0.0	-51.71	363.33	5.25	-46.46
O=C([O-])C1CCC[N@H+](CC(=O)NC(CCO)C2=CC=C(F)C=C2F)C1	REAL300006536889	1	47	0.0	-56.01	373.33	6.35	-49.66
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006538039	0	51	0.0	-81.07	401.89	11.41	-69.66
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300006539357	0	45	0.0	-73.09	353.43	9.29	-63.80
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C1	REAL300006539384	1	43	0.0	-66.92	347.90	8.97	-57.95
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C1	REAL300006539444	1	50	0.0	-80.87	409.30	9.17	-71.70
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300006539445	1	46	0.0	-73.99	348.37	5.83	-68.16
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300006539515	0	54	0.0	-81.81	433.25	11.70	-70.11
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300006539520	0	54	0.0	-99.61	429.94	13.68	-85.93
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300006539520	1	54	0.0	-81.77	431.50	13.22	-68.55
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300006539572	0	36	0.0	-79.31	313.98	10.42	-68.89
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300006539598	0	50	0.0	-61.04	350.39	8.86	-52.18
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300006539601	0	50	0.0	-69.92	378.62	10.35	-59.57
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300006539601	1	50	0.0	-70.45	378.64	10.35	-60.10
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300006539664	0	44	0.0	-60.26	360.92	8.33	-51.93
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300006539680	0	52	0.0	-70.78	382.84	8.16	-62.62
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCN2C=C[NH+]=C2C)C1	REAL300006539708	1	42	0.0	-69.59	351.19	9.65	-59.94
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300006539709	1	48	0.0	-77.98	376.92	8.51	-69.47
CC[N@H+](CC1=CC=C(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300006539710	0	53	0.0	-57.00	395.54	10.68	-46.32
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300006539710	1	53	0.0	-57.09	388.99	10.36	-46.73
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006539728	0	48	0.0	-70.25	379.09	10.87	-59.38
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006539728	1	48	0.0	-72.00	379.31	10.87	-61.13
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300006539729	0	49	0.0	-83.24	381.26	10.17	-73.07
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300006539757	0	52	0.0	-69.27	372.81	8.35	-60.92
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CC[N@@H+]1CCOC(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C1	REAL300006540075	1	42	0.0	-49.84	328.56	7.11	-42.73
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CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300006540411	1	44	0.0	-65.53	355.88	10.44	-55.09
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300006540411	1	44	0.0	-65.57	355.61	10.43	-55.14
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C1	REAL300006540415	0	56	0.0	-61.12	412.69	9.24	-51.88
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300006540427	1	39	0.0	-80.97	334.25	7.74	-73.23
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300006540449	1	40	0.0	-80.63	334.31	8.14	-72.49
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300006540454	0	51	0.0	-68.25	400.07	11.73	-56.52
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300006540454	1	51	0.0	-69.63	401.47	11.57	-58.06
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC[N@@H+]2C(C)C)C1	REAL300006540472	0	44	0.0	-60.96	336.61	8.52	-52.44
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC[N@H+]2C(C)C)C1	REAL300006540472	1	44	0.0	-62.58	336.83	8.25	-54.33
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300006540478	0	52	0.0	-87.59	421.81	11.18	-76.41
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)COC2CC[NH+](C)CC2)C1	REAL300006540490	0	45	0.0	-81.75	359.08	8.79	-72.96
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006540496	0	48	0.0	-84.33	381.69	10.64	-73.69
CCC[N@@H+]1CCCC(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C1	REAL300006540636	0	47	0.0	-69.36	361.18	9.06	-60.30
CCC[N@H+]1CCCC(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C1	REAL300006540636	1	47	0.0	-41.63	364.42	9.20	-32.43
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300006540664	1	45	0.0	-62.51	352.40	6.02	-56.49
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC[N@@H+](C(C)C)C2)C1	REAL300006540836	0	47	0.0	-67.65	354.93	9.14	-58.51
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC[N@H+](C(C)C)C2)C1	REAL300006540836	1	47	0.0	-60.88	348.57	9.27	-51.61
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300006540837	0	41	0.0	-77.83	340.21	8.18	-69.65
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300006540837	1	41	0.0	-70.48	329.16	8.71	-61.77
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC2=[NH+]C(C)=C(C)N2)C1	REAL300006540860	1	42	0.0	-64.10	349.42	8.24	-55.86
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300006541244	0	47	0.0	-61.53	375.94	9.98	-51.55
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300006541251	0	48	0.0	-86.53	385.20	9.39	-77.14
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006541336	0	54	0.0	-75.34	418.34	12.76	-62.58
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C1	REAL300006541338	1	52	0.0	-91.09	407.70	10.12	-80.97
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C1	REAL300006541338	1	52	0.0	-91.71	407.52	10.32	-81.39
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300006541366	0	47	0.0	-71.55	348.21	8.96	-62.59
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C1	REAL300006541371	0	39	0.0	-73.98	335.40	10.20	-63.78
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC[N@H+](CC(C)C)C2)C1	REAL300006541421	0	50	0.0	-72.58	379.97	10.40	-62.18
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC[N@@H+](CC(C)C)C2)C1	REAL300006541421	1	50	0.0	-67.73	377.26	10.06	-57.67
CC[N@@H+]1CCCC(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C1	REAL300006541422	0	44	0.0	-68.46	338.15	8.62	-59.84
CC[N@H+]1CCCC(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C1	REAL300006541422	1	44	0.0	-41.64	342.86	8.45	-33.19
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300006541428	1	41	0.0	-85.01	339.48	8.70	-76.31
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300006541436	1	43	0.0	-69.72	335.03	8.77	-60.95
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300006541436	1	43	0.0	-65.70	330.78	9.03	-56.67
CC(C)(C)CC(CO)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006541525	0	52	0.0	-45.29	375.18	5.42	-39.87
CC(C)(C)CC(CO)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006541525	1	52	0.0	-49.39	378.01	4.94	-44.45
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@]2(CO)C[C@H](OCC3=CC=CC=C3)C2)C1	REAL300006541630	0	58	0.0	-49.21	441.64	6.32	-42.89
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@]2(CO)C[C@H](OCC3=CC=CC=C3)C2)C1	REAL300006541630	1	58	0.0	-48.89	440.51	6.29	-42.60
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2C3=CC=CC=C3OC[C@@H]2O)C1	REAL300006541745	0	46	0.0	-53.03	351.95	4.68	-48.35
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2C3=CC=CC=C3OC[C@@H]2O)C1	REAL300006541745	1	46	0.0	-54.22	352.43	4.69	-49.53
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2C3=CC=CC=C3OC[C@H]2O)C1	REAL300006541869	0	46	0.0	-47.00	344.81	3.80	-43.20
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2C3=CC=CC=C3OC[C@H]2O)C1	REAL300006541869	1	46	0.0	-46.45	344.37	3.77	-42.68
O=C([O-])C1CCC[N@H+](CC(=O)NCCCOC2=CC=CC=N2)C1	REAL300006542034	0	46	0.0	-51.85	365.66	5.22	-46.63
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCOC2=CC=CC=N2)C1	REAL300006542034	1	46	0.0	-51.22	365.02	5.19	-46.03
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(O)CC23CCOCC3)C1	REAL300006542158	0	49	0.0	-53.49	343.42	4.37	-49.12
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(O)CC23CCOCC3)C1	REAL300006542158	1	49	0.0	-51.85	339.09	4.35	-47.50
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(O)C23CCCCCC3)C1	REAL300006542257	0	54	0.0	-46.51	358.15	6.28	-40.23
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(O)C23CCCCCC3)C1	REAL300006542257	1	54	0.0	-48.77	361.46	6.93	-41.84
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2CCCC3=CC=CC=C32)C1	REAL300006542375	0	47	0.0	-49.12	349.92	9.09	-40.03
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2CCCC3=CC=CC=C32)C1	REAL300006542375	1	47	0.0	-48.52	349.28	9.09	-39.43
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H](C2=CC=C(F)C=C2)C(F)F)C1	REAL300006542480	1	43	0.0	-50.60	345.42	8.56	-42.04
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H](C2=CC=C(F)C=C2)C(F)F)C1	REAL300006542480	1	43	0.0	-50.76	343.25	8.59	-42.17
COCCOC1=CC=NC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006542598	0	50	0.0	-49.98	390.70	5.06	-44.92
COCCOC1=CC=NC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006542598	1	50	0.0	-51.25	396.90	5.08	-46.17
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H](C2=CC=C(F)C=C2)C(F)F)C1	REAL300006542717	1	43	0.0	-53.53	351.43	8.52	-45.01
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H](C2=CC=C(F)C=C2)C(F)F)C1	REAL300006542717	1	43	0.0	-48.77	341.97	8.09	-40.68
COC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)F)C=C1	REAL300006542826	1	47	0.0	-52.50	374.01	7.77	-44.73
COC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)F)C=C1	REAL300006542826	1	47	0.0	-50.47	368.45	7.76	-42.71
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300006542868	0	45	0.0	-86.43	356.71	5.87	-80.56
CC(SC1=CC=CC=C1C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300006542869	0	48	0.0	-82.59	377.96	7.12	-75.47
CCOC1=CC(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)=CC=C1OCC(=O)[O-]	REAL300006542870	0	52	0.0	-85.08	407.68	6.53	-78.55
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300006542871	0	47	0.0	-80.83	370.77	6.84	-73.99
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300006542872	0	45	0.0	-83.60	360.13	6.78	-76.82
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006542873	0	49	0.0	-83.21	404.69	1.95	-81.26
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006542874	0	43	0.0	-80.20	353.76	6.24	-73.96
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006542875	0	43	0.0	-80.20	353.76	6.24	-73.96
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C=C1	REAL300006542876	0	51	0.0	-81.39	401.34	6.95	-74.44
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006542877	0	48	0.0	-80.40	384.09	6.58	-73.82
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300006542878	0	47	0.0	-69.48	362.12	6.57	-62.91
CC1=CC(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)=CC(C)=C1OCC(=O)[O-]	REAL300006542879	0	51	0.0	-81.98	398.39	7.31	-74.67
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300006542880	0	44	0.0	-85.36	350.99	6.19	-79.17
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300006542881	0	41	0.0	-76.85	329.20	5.43	-71.42
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300006542882	0	44	0.0	-86.38	349.36	6.03	-80.35
CC1=NC(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)=CC=C1C(=O)[O-]	REAL300006542883	0	43	0.0	-67.59	338.35	4.13	-63.46
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300006542884	0	41	0.0	-78.34	345.86	5.97	-72.37
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300006542885	0	44	0.0	-83.97	347.80	6.35	-77.62
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300006542886	0	51	0.0	-69.08	390.76	8.71	-60.37
CC1=COC(CC(=O)[O-])=C1C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300006542887	0	44	0.0	-59.20	354.92	5.13	-54.07
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CC1CCC(C(=O)[O-])CC1	REAL300006542888	0	50	0.0	-73.25	361.14	6.01	-67.24
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300006542889	0	48	0.0	-83.73	358.58	5.75	-77.98
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006542890	0	51	0.0	-78.56	368.24	6.25	-72.31
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300006542891	0	43	0.0	-79.10	346.53	4.66	-74.44
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006542892	0	48	0.0	-80.80	376.83	6.05	-74.75
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006542893	0	54	0.0	-80.34	405.22	8.42	-71.92
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300006542894	0	42	0.0	-69.74	344.22	4.94	-64.80
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300006542895	0	48	0.0	-60.55	355.59	6.06	-54.49
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300006542896	0	45	0.0	-76.61	355.69	5.64	-70.97
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006542897	0	50	0.0	-90.23	393.43	6.17	-84.06
C[C@@H]1C[C@H](C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)O[C@H]1C(=O)[O-]	REAL300006542898	0	45	0.0	-83.86	348.29	5.09	-78.77
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006542899	0	44	0.0	-73.00	346.87	6.13	-66.87
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006542900	0	45	0.0	-78.48	356.76	6.64	-71.84
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006542901	0	42	0.0	-80.10	344.69	5.04	-75.06
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300006542902	0	47	0.0	-79.40	359.64	6.88	-72.52
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006542903	0	44	0.0	-86.63	359.08	1.27	-85.36
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006542904	0	42	0.0	-76.00	346.22	5.40	-70.60
CC1=CC=C(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C=C1C(=O)[O-]	REAL300006542905	0	44	0.0	-90.37	345.46	6.21	-84.16
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300006542906	0	43	0.0	-66.63	337.75	4.38	-62.25
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006542907	0	47	0.0	-94.90	374.37	4.89	-90.01
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300006542908	0	48	0.0	-86.81	370.06	5.48	-81.33
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006542909	0	48	0.0	-80.31	368.34	4.41	-75.90
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006542910	0	49	0.0	-73.93	357.08	6.69	-67.24
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CN1CCCC(C(=O)[O-])C1	REAL300006542911	1	49	0.0	-79.25	366.35	3.65	-75.60
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300006542912	0	48	0.0	-56.76	364.76	7.16	-49.60
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006542913	0	48	0.0	-80.80	376.83	6.05	-74.75
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006542914	0	48	0.0	-100.20	384.25	7.65	-92.55
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300006542915	0	44	0.0	-68.27	342.00	6.24	-62.03
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300006542916	0	43	0.0	-76.30	330.32	4.11	-72.19
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300006542917	0	44	0.0	-77.20	340.71	6.03	-71.17
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006542918	0	41	0.0	-75.59	337.16	5.86	-69.73
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300006542919	0	48	0.0	-81.47	367.21	6.38	-75.09
COC1=CC(C(=O)[O-])=NC(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)=C1	REAL300006542920	0	44	0.0	-65.28	354.14	3.10	-62.18
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006542921	0	47	0.0	-75.64	368.27	6.94	-68.70
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006542922	0	45	0.0	-84.56	355.56	6.75	-77.81
CC1=C(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C=C(C(=O)[O-])S1	REAL300006542923	0	41	0.0	-69.57	335.23	5.40	-64.17
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006542924	0	41	0.0	-80.63	355.42	6.17	-74.46
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)=C1	REAL300006542925	0	45	0.0	-82.48	363.68	5.24	-77.24
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300006542926	0	44	0.0	-71.22	353.76	5.97	-65.25
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006542927	0	44	0.0	-88.00	361.46	6.79	-81.21
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006542928	0	46	0.0	-79.43	358.27	4.81	-74.62
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006542929	0	45	0.0	-83.60	360.49	6.76	-76.84
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300006542930	0	48	0.0	-60.55	355.59	6.06	-54.49
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006542931	0	42	0.0	-70.81	350.78	4.61	-66.20
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006542932	0	42	0.0	-78.54	350.03	4.49	-74.05
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006542933	0	42	0.0	-70.04	341.25	3.48	-66.56
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300006542934	0	44	0.0	-82.91	334.79	5.91	-77.00
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006542935	0	44	0.0	-84.94	355.91	5.00	-79.94
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300006542936	0	46	0.0	-80.07	345.93	3.93	-76.14
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006542937	0	47	0.0	-83.62	360.67	7.44	-76.18
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300006542938	0	47	0.0	-91.83	367.60	6.67	-85.16
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300006542939	0	41	0.0	-85.49	342.44	5.35	-80.14
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006542940	0	44	0.0	-93.23	355.19	6.27	-86.96
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300006542941	0	48	0.0	-73.45	374.96	7.10	-66.35
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006542942	0	51	0.0	-78.56	368.24	6.25	-72.31
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC23CCCCC3)C1	REAL300006543002	0	53	0.0	-42.60	347.94	9.92	-32.68
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC23CCCCC3)C1	REAL300006543002	1	53	0.0	-45.93	358.07	10.34	-35.59
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(F)(F)CC23CC3)C1	REAL300006543077	0	44	0.0	-50.17	326.43	8.78	-41.39
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(F)(F)CC23CC3)C1	REAL300006543077	1	44	0.0	-50.05	326.49	8.81	-41.24
CC1=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)N(C)N=C1C(=O)[O-]	REAL300006544195	0	50	0.0	-89.98	390.03	9.81	-80.17
CC1=C(NC(=O)C2CC[NH+](C3CC3)CC2)N(C)N=C1C(=O)[O-]	REAL300006545532	0	44	0.0	-84.20	335.03	7.48	-76.72
CC1=[NH+]C=C2CCC(C(=O)NC3=C(C)C(C(=O)[O-])=NN3C)CN21	REAL300006545553	1	42	0.0	-76.43	333.40	7.36	-69.07
CC1=NC(C[NH+]2CCC(C(=O)NC3=C(C)C(C(=O)[O-])=NN3C)CC2)=CS1	REAL300006545616	1	49	0.0	-88.50	397.05	7.50	-81.00
CC1=C(NC(=O)C(C)N2CC[NH+](C)CC2)N(C)N=C1C(=O)[O-]	REAL300006545617	1	45	0.0	-80.63	335.96	4.42	-76.21
CC1=C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)N(C)N=C1C(=O)[O-]	REAL300006545687	0	53	0.0	-84.34	419.34	9.37	-74.97
CC1=C(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)N(C)N=C1C(=O)[O-]	REAL300006545692	0	53	0.0	-87.62	424.05	11.68	-75.94
CC1=C(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)N(C)N=C1C(=O)[O-]	REAL300006545692	1	53	0.0	-87.50	420.08	11.70	-75.80
CC1=C(NC(=O)C2(C[NH+](C)C)CCCCC2)N(C)N=C1C(=O)[O-]	REAL300006545765	0	49	0.0	-79.25	347.74	8.32	-70.93
CC1=C(NC(=O)CC[N@H+](C)C2CCCCC2)N(C)N=C1C(=O)[O-]	REAL300006545768	0	49	0.0	-86.54	363.68	8.20	-78.34
CC1=C(NC(=O)CC[N@@H+](C)C2CCCCC2)N(C)N=C1C(=O)[O-]	REAL300006545768	1	49	0.0	-85.90	367.60	8.19	-77.71
CC1=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)N(C)N=C1C(=O)[O-]	REAL300006545830	0	43	0.0	-86.31	359.52	7.21	-79.10
CC1=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)N(C)N=C1C(=O)[O-]	REAL300006545847	0	51	0.0	-82.06	371.56	6.63	-75.43
CC1=[NH+]C=CN1CCCC(=O)NC1=C(C)C(C(=O)[O-])=NN1C	REAL300006545874	1	41	0.0	-80.47	340.15	7.49	-72.98
CC1=C(NC(=O)CCCC[NH+]2CCOCC2)N(C)N=C1C(=O)[O-]	REAL300006545875	1	47	0.0	-86.54	363.53	6.22	-80.32
CC[N@H+](CC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)C=C1)C(C)C	REAL300006545876	0	52	0.0	-84.64	391.84	9.55	-75.09
CC[N@@H+](CC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)C=C1)C(C)C	REAL300006545876	1	52	0.0	-84.32	386.82	9.33	-74.99
CC1=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006545894	0	47	0.0	-85.97	369.98	9.04	-76.93
CC1=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006545894	1	47	0.0	-86.62	370.05	9.12	-77.50
CC1=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)N(C)N=C1C(=O)[O-]	REAL300006545895	0	48	0.0	-91.86	365.44	8.24	-83.62
CC1=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)N(C)N=C1C(=O)[O-]	REAL300006545924	0	51	0.0	-87.15	372.75	6.54	-80.61
CC1=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)N(C)N=C1C(=O)[O-]	REAL300006545927	0	46	0.0	-83.43	365.49	8.58	-74.85
CC1=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)N(C)N=C1C(=O)[O-]	REAL300006545927	1	46	0.0	-82.98	359.83	8.62	-74.36
CC1=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006545935	0	53	0.0	-88.00	409.26	10.67	-77.33
CC1=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006545935	1	53	0.0	-82.67	399.85	10.77	-71.90
CC1=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)N(C)N=C1C(=O)[O-]	REAL300006545951	0	42	0.0	-87.10	346.04	6.59	-80.51
CCC[NH+](CCC)CCCC(=O)NC1=C(C)C(C(=O)[O-])=NN1C	REAL300006545958	0	51	0.0	-84.19	391.59	8.82	-75.37
CC1=C(NC(=O)CN2C=C[NH+]=C2C(C)C)N(C)N=C1C(=O)[O-]	REAL300006545965	1	41	0.0	-77.49	334.72	7.30	-70.19
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)N(C)N=C1C(=O)[O-]	REAL300006545978	0	47	0.0	-87.10	367.36	9.18	-77.92
CC1=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)N(C)N=C1C(=O)[O-]	REAL300006545983	0	50	0.0	-82.77	384.99	9.95	-72.82
CCN1CCC([NH+]2CCC(C(=O)NC3=C(C)C(C(=O)[O-])=NN3C)CC2)CC1	REAL300006545989	0	58	0.0	-86.03	414.85	7.20	-78.83
CC1=C(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)N(C)N=C1C(=O)[O-]	REAL300006545996	1	54	0.0	-90.60	418.26	8.99	-81.61
CC1=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)N(C)N=C1C(=O)[O-]	REAL300006546007	1	51	0.0	-94.07	392.82	8.95	-85.12
CC1=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)N(C)N=C1C(=O)[O-]	REAL300006546007	1	51	0.0	-91.84	399.60	9.01	-82.83
CC1=C(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)N(C)N=C1C(=O)[O-]	REAL300006546022	1	41	0.0	-88.25	341.07	6.51	-81.74
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)N(C)N=C1C(=O)[O-]	REAL300006546025	0	50	0.0	-87.56	384.98	9.97	-77.59
CC1=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)N(C)N=C1C(=O)[O-]	REAL300006546036	1	43	0.0	-86.65	348.65	6.72	-79.93
CC1=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)N(C)N=C1C(=O)[O-]	REAL300006546037	0	46	0.0	-88.72	365.92	8.95	-79.77
CC1=C(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)N(C)N=C1C(=O)[O-]	REAL300006546053	1	56	0.0	-83.05	427.26	11.07	-71.98
CC1=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)N(C)N=C1C(=O)[O-]	REAL300006546089	0	46	0.0	-88.00	368.37	9.03	-78.97
CC1=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)N(C)N=C1C(=O)[O-]	REAL300006546089	1	46	0.0	-89.11	363.85	9.02	-80.09
COCCOCC[N@H+](C)CCC(=O)NC1=C(C)C(C(=O)[O-])=NN1C	REAL300006546090	0	50	0.0	-86.00	393.52	5.22	-80.78
COCCOCC[N@@H+](C)CCC(=O)NC1=C(C)C(C(=O)[O-])=NN1C	REAL300006546090	1	50	0.0	-87.06	397.37	5.20	-81.86
CC1=C(NC(=O)CC2(O)CCC[N@H+](C)C2)N(C)N=C1C(=O)[O-]	REAL300006546093	0	44	0.0	-80.27	339.99	4.82	-75.45
CC1=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)N(C)N=C1C(=O)[O-]	REAL300006546093	1	44	0.0	-80.70	326.04	4.56	-76.14
CC1=C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)N(C)N=C1C(=O)[O-]	REAL300006546100	0	55	0.0	-89.81	423.48	8.73	-81.08
CCCCCC[N@H+](C)CC(=O)NC1=C(C)C(C(=O)[O-])=NN1C	REAL300006546102	0	48	0.0	-85.56	372.98	8.35	-77.21
CCCCCC[N@@H+](C)CC(=O)NC1=C(C)C(C(=O)[O-])=NN1C	REAL300006546102	1	48	0.0	-86.27	369.00	8.38	-77.89
CC1=C(NC(=O)C[N@H+](C)C2CCSC2)N(C)N=C1C(=O)[O-]	REAL300006546127	0	41	0.0	-88.14	328.45	6.84	-81.30
CC1=C(NC(=O)C[N@@H+](C)C2CCSC2)N(C)N=C1C(=O)[O-]	REAL300006546127	1	41	0.0	-90.11	328.68	6.82	-83.29
CC1=C(NC(=O)CCN2CC[NH+](C(C)C)CC2)N(C)N=C1C(=O)[O-]	REAL300006546140	0	51	0.0	-81.85	384.53	5.76	-76.09
CC1=C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)N(C)N=C1C(=O)[O-]	REAL300006546141	0	54	0.0	-79.26	406.03	6.56	-72.70
CC1=C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)N(C)N=C1C(=O)[O-]	REAL300006546141	1	54	0.0	-85.16	402.53	6.36	-78.80
CC1=C(NC(=O)C2CCCC3CCC[N@@H+]32)N(C)N=C1C(=O)[O-]	REAL300006546142	0	44	0.0	-78.52	324.17	7.09	-71.43
CC1=C(NC(=O)C2CCCC3CCC[N@H+]32)N(C)N=C1C(=O)[O-]	REAL300006546142	1	44	0.0	-79.57	324.61	7.15	-72.42
CC1=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)N(C)N=C1C(=O)[O-]	REAL300006546144	0	43	0.0	-89.10	356.41	6.08	-83.02
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC(C)=CC=C3)CC2)N(C)N=C1C(=O)[O-]	REAL300006546147	0	55	0.0	-90.37	423.38	8.59	-81.78
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)N(C)N=C1C(=O)[O-]	REAL300006546149	0	52	0.0	-91.19	398.07	7.96	-83.23
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006546151	0	49	0.0	-88.60	374.84	8.22	-80.38
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006546151	1	49	0.0	-88.16	381.00	7.94	-80.22
CC1=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006546179	0	50	0.0	-89.10	390.41	9.83	-79.27
CC1=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006546179	1	50	0.0	-88.83	389.80	9.84	-78.99
CC1=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)N(C)N=C1C(=O)[O-]	REAL300006546192	0	43	0.0	-89.90	349.95	6.15	-83.75
CC1=C(NC(=O)C2=CC=NN2CC[NH+](C)C)N(C)N=C1C(=O)[O-]	REAL300006546193	0	43	0.0	-76.84	344.88	6.08	-70.76
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=C(C)C(C(=O)[O-])=NN1C	REAL300006546194	1	44	0.0	-77.17	355.14	7.80	-69.37
CC1=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)N(C)N=C1C(=O)[O-]	REAL300006546198	1	44	0.0	-85.62	350.68	5.15	-80.47
CC1=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)N(C)N=C1C(=O)[O-]	REAL300006546198	1	44	0.0	-86.88	351.05	5.70	-81.18
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006546207	0	50	0.0	-88.72	386.31	10.05	-78.67
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006546207	1	50	0.0	-88.34	392.53	9.86	-78.48
CC1=C(NC(=O)C(C)C[NH+]2CCOCC2)N(C)N=C1C(=O)[O-]	REAL300006546211	1	44	0.0	-85.61	336.34	5.33	-80.28
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)N(C)N=C1C(=O)[O-]	REAL300006546212	0	51	0.0	-91.03	395.29	7.34	-83.69
CC1=C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)N(C)N=C1C(=O)[O-]	REAL300006546254	1	50	0.0	-90.65	390.77	8.14	-82.51
CC1=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)N(C)N=C1C(=O)[O-]	REAL300006546255	0	50	0.0	-82.94	377.41	8.49	-74.45
CC1=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)N(C)N=C1C(=O)[O-]	REAL300006546255	1	50	0.0	-84.44	371.84	8.53	-75.91
CC1=C(NC(=O)C2CCC3CCCC[N@@H+]32)N(C)N=C1C(=O)[O-]	REAL300006546271	0	44	0.0	-81.27	332.70	7.04	-74.23
CC1=C(NC(=O)C2CCC3CCCC[N@H+]32)N(C)N=C1C(=O)[O-]	REAL300006546271	1	44	0.0	-79.91	329.08	7.08	-72.83
CC1=C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)N(C)N=C1C(=O)[O-]	REAL300006546285	0	52	0.0	-79.07	402.11	7.53	-71.54
CC1=C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)N(C)N=C1C(=O)[O-]	REAL300006546286	0	52	0.0	-84.06	401.16	7.35	-76.71
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)N(C)N=C1C(=O)[O-]	REAL300006546286	1	52	0.0	-88.58	401.51	7.41	-81.17
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)C=C1	REAL300006546287	0	53	0.0	-84.31	408.53	9.23	-75.08
CC1=C(NC(=O)C2CC[NH+](C(C)C)CC2)N(C)N=C1C(=O)[O-]	REAL300006546293	0	46	0.0	-83.49	340.28	7.22	-76.27
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)N(C)N=C1C(=O)[O-]	REAL300006546380	0	54	0.0	-91.29	416.67	7.27	-84.02
CC1=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)N(C)N=C1C(=O)[O-]	REAL300006546384	0	43	0.0	-84.44	343.43	8.10	-76.34
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006546385	0	50	0.0	-82.27	378.48	9.89	-72.38
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)N(C)N=C1C(=O)[O-]	REAL300006546385	1	50	0.0	-82.64	377.39	9.91	-72.73
C#CC[NH+]1CCC(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)CC1	REAL300006546431	0	42	0.0	-87.95	338.21	7.39	-80.56
CC[NH+]1CCN(CCC(=O)NC2=C(C)C(C(=O)[O-])=NN2C)CC1	REAL300006546434	0	48	0.0	-82.86	362.71	5.13	-77.73
CCN1CC[NH+](CCC(=O)NC2=C(C)C(C(=O)[O-])=NN2C)CC1	REAL300006546434	1	48	0.0	-86.71	363.38	5.24	-81.47
CC1=C(NC(=O)CCN2C=C[NH+]=C2C(C)C)N(C)N=C1C(=O)[O-]	REAL300006546441	1	44	0.0	-77.02	354.60	7.73	-69.29
CC1=C(NC(=O)C(C)[NH+]2CCCCCC2)N(C)N=C1C(=O)[O-]	REAL300006546470	0	46	0.0	-77.81	339.02	7.07	-70.74
CC1=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)N(C)N=C1C(=O)[O-]	REAL300006546502	1	48	0.0	-86.72	379.46	8.48	-78.24
CC1=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)N(C)N=C1C(=O)[O-]	REAL300006546502	1	48	0.0	-86.76	378.43	8.50	-78.26
CC[NH+](CC)CC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)O1	REAL300006546546	0	46	0.0	-83.68	368.26	7.75	-75.93
CC1=C(NC(=O)CCCC[NH+]2CCCC2)N(C)N=C1C(=O)[O-]	REAL300006546547	0	46	0.0	-83.31	360.51	7.90	-75.41
CC1=C(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)N(C)N=C1C(=O)[O-]	REAL300006546549	1	49	0.0	-80.07	379.05	7.69	-72.38
CC1=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)N(C)N=C1C(=O)[O-]	REAL300006546550	1	43	0.0	-88.84	345.94	8.19	-80.65
CC1=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)N(C)N=C1C(=O)[O-]	REAL300006546550	1	43	0.0	-89.76	341.37	8.19	-81.57
CC1=C(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)N(C)N=C1C(=O)[O-]	REAL300006546554	0	55	0.0	-85.52	411.44	8.46	-77.06
CC1=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)N(C)N=C1C(=O)[O-]	REAL300006546587	1	39	0.0	-88.12	324.39	5.65	-82.47
CC1=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)N(C)N=C1C(=O)[O-]	REAL300006546593	0	50	0.0	-87.10	389.75	9.60	-77.50
CC1=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)N(C)N=C1C(=O)[O-]	REAL300006546593	1	50	0.0	-90.06	397.29	9.65	-80.41
CC1=C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)N(C)N=C1C(=O)[O-]	REAL300006546616	0	51	0.0	-87.42	412.13	9.05	-78.37
CC1=C(NC(=O)COC2CC[NH+](C)CC2)N(C)N=C1C(=O)[O-]	REAL300006546628	0	44	0.0	-87.71	349.13	6.58	-81.13
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)N(C)N=C1C(=O)[O-]	REAL300006546634	0	47	0.0	-84.84	370.35	8.20	-76.64
CCC[N@@H+]1CCCC(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)C1	REAL300006546771	0	46	0.0	-83.08	355.85	7.59	-75.49
CCC[N@H+]1CCCC(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)C1	REAL300006546771	1	46	0.0	-77.64	342.51	7.82	-69.82
CC1=C(NC(=O)C2CCC[N@@H+](C(C)C)C2)N(C)N=C1C(=O)[O-]	REAL300006546970	0	46	0.0	-80.91	343.93	7.40	-73.51
CC1=C(NC(=O)C2CCC[N@H+](C(C)C)C2)N(C)N=C1C(=O)[O-]	REAL300006546970	1	46	0.0	-80.65	344.47	7.41	-73.24
CC1=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)N(C)N=C1C(=O)[O-]	REAL300006546971	0	40	0.0	-86.01	328.69	6.40	-79.61
CC1=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)N(C)N=C1C(=O)[O-]	REAL300006546971	1	40	0.0	-89.46	328.78	6.42	-83.04
CC1=C(C)[NH+]=C(CCC(=O)NC2=C(C)C(C(=O)[O-])=NN2C)N1	REAL300006546995	1	41	0.0	-78.73	335.50	5.91	-72.82
CC1=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)N(C)N=C1C(=O)[O-]	REAL300006547369	0	46	0.0	-84.80	369.83	8.92	-75.88
CC1=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)N(C)N=C1C(=O)[O-]	REAL300006547375	0	47	0.0	-85.71	373.19	7.91	-77.80
CC1=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)N(C)N=C1C(=O)[O-]	REAL300006547458	0	53	0.0	-85.30	404.98	10.55	-74.75
CC1=C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)N(C)N=C1C(=O)[O-]	REAL300006547460	1	51	0.0	-90.06	390.77	8.27	-81.79
CC1=C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)N(C)N=C1C(=O)[O-]	REAL300006547460	1	51	0.0	-90.16	390.83	8.27	-81.89
CC1=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)N(C)N=C1C(=O)[O-]	REAL300006547486	0	46	0.0	-79.78	334.34	7.20	-72.58
CC1=[NH+]C=C2C=CC(C(=O)NC3=C(C)C(C(=O)[O-])=NN3C)=CN21	REAL300006547491	0	38	0.0	-78.02	316.88	7.90	-70.12
CC1=C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)N(C)N=C1C(=O)[O-]	REAL300006547539	0	49	0.0	-79.03	358.84	8.41	-70.62
CC1=C(NC(=O)C2CCC[N@H+](CC(C)C)C2)N(C)N=C1C(=O)[O-]	REAL300006547539	1	49	0.0	-78.17	359.95	8.50	-69.67
CC1=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)N(C)N=C1C(=O)[O-]	REAL300006547544	1	40	0.0	-86.19	329.84	6.43	-79.76
CC1=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)N(C)N=C1C(=O)[O-]	REAL300006547551	1	42	0.0	-79.50	328.68	7.18	-72.32
CC1=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)N(C)N=C1C(=O)[O-]	REAL300006547551	1	42	0.0	-81.64	321.75	7.40	-74.24
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006547578	0	40	0.0	-77.77	329.06	7.89	-69.88
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300006547579	0	44	0.0	-90.02	360.15	8.17	-81.85
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300006547580	0	40	0.0	-92.24	329.08	7.90	-84.34
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C(=O)[O-])S1	REAL300006547581	0	37	0.0	-66.45	323.35	7.08	-59.37
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300006547582	0	39	0.0	-54.02	327.18	6.19	-47.83
CCOC1=CC(C(=O)NC2=CC=NN2CC[NH+](C)C)=CC=C1OCC(=O)[O-]	REAL300006547583	0	51	0.0	-84.85	411.14	8.86	-75.99
C[NH+](C)CCN1N=CC=C1NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300006547584	0	46	0.0	-84.97	375.06	9.38	-75.59
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300006547585	0	39	0.0	-94.22	325.16	6.13	-88.09
C[NH+](C)CCN1N=CC=C1NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300006547586	0	44	0.0	-84.63	363.57	9.10	-75.53
C[NH+](C)CCN1N=CC=C1NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006547587	0	48	0.0	-84.37	407.72	4.28	-80.09
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006547588	0	42	0.0	-57.83	357.23	8.57	-49.26
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006547589	0	42	0.0	-57.83	357.23	8.57	-49.26
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2=CC=NN2CC[NH+](C)C)C=C1	REAL300006547590	0	50	0.0	-87.21	404.06	9.46	-77.75
C[NH+](C)CCN1N=CC=C1NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300006547591	0	46	0.0	-71.78	366.45	9.13	-62.65
CC1=CC(C(=O)NC2=CC=NN2CC[NH+](C)C)=CC(C)=C1OCC(=O)[O-]	REAL300006547592	0	50	0.0	-82.40	404.17	9.74	-72.66
C[NH+](C)CCN1N=CC=C1NC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300006547593	0	43	0.0	-90.91	353.66	8.58	-82.33
C[NH+](C)CCN1N=CC=C1NC(=O)C1CCCC(C(=O)[O-])C1	REAL300006547594	0	46	0.0	-92.33	348.06	7.96	-84.37
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300006547595	0	39	0.0	-75.96	324.94	6.12	-69.84
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006547596	0	39	0.0	-64.33	326.47	6.17	-58.16
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300006547597	0	40	0.0	-79.27	333.59	7.96	-71.31
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300006547598	0	38	0.0	-67.24	322.04	4.33	-62.91
C[NH+](C)CCN1N=CC=C1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006547599	0	46	0.0	-78.99	355.13	8.12	-70.87
C[NH+](C)CCN1N=CC=C1NC(=O)C1CCC(C(=O)[O-])CC1	REAL300006547600	0	46	0.0	-79.03	355.14	8.12	-70.91
C[NH+](C)CCN1N=CC=C1NC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300006547601	0	43	0.0	-96.10	353.65	8.59	-87.51
C[NH+](C)CCN1N=CC=C1NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300006547602	0	39	0.0	-97.43	330.81	4.57	-92.86
CC1=NC(C(=O)NC2=CC=NN2CC[NH+](C)C)=CC=C1C(=O)[O-]	REAL300006547603	0	42	0.0	-65.12	342.73	6.69	-58.43
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300006547604	0	40	0.0	-82.85	350.36	8.50	-74.35
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006547605	0	40	0.0	-77.77	329.06	7.89	-69.88
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300006547606	0	43	0.0	-84.64	351.25	8.67	-75.97
C[NH+](C)CCN1N=CC=C1NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300006547607	0	40	0.0	-83.43	331.42	6.81	-76.62
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300006547608	0	43	0.0	-51.37	358.27	7.44	-43.93
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300006547609	0	39	0.0	-76.42	326.67	6.20	-70.22
C[NH+](C)CCN1N=CC=C1NC(=O)CC1CCC(C(=O)[O-])CC1	REAL300006547610	0	49	0.0	-90.20	373.79	8.84	-81.36
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300006547611	0	42	0.0	-72.14	350.94	7.22	-64.92
C[NH+](C)CCN1N=CC=C1NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006547612	0	47	0.0	-88.39	381.21	8.62	-79.77
C[NH+](C)CCN1N=CC=C1NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006547613	0	53	0.0	-73.43	407.90	10.81	-62.62
CC1=C(C(=O)NC2=CC=NN2CC[NH+](C)C)C=C(C(=O)[O-])O1	REAL300006547614	0	40	0.0	-65.04	332.11	7.07	-57.97
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC=NN2CC[NH+](C)C)=C1	REAL300006547615	0	40	0.0	-58.40	333.41	6.88	-51.52
C[NH+](C)CCN1N=CC=C1NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006547616	0	40	0.0	-92.42	335.75	6.05	-86.37
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300006547617	0	41	0.0	-62.83	348.62	7.50	-55.33
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300006547618	0	44	0.0	-79.68	360.07	8.20	-71.48
C[NH+](C)CCN1N=CC=C1NC(=O)CCSCC(=O)[O-]	REAL300006547619	0	40	0.0	-77.58	338.82	7.08	-70.50
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006547620	0	39	0.0	-64.33	326.47	6.17	-58.16
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300006547621	0	40	0.0	-69.75	331.05	5.57	-64.18
C[C@@H]1C[C@H](C(=O)NC2=CC=NN2CC[NH+](C)C)O[C@H]1C(=O)[O-]	REAL300006547622	0	44	0.0	-86.62	351.30	7.30	-79.32
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006547623	0	43	0.0	-74.94	351.26	8.68	-66.26
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006547624	0	44	0.0	-81.14	360.52	9.18	-71.96
C[NH+](C)CCN1N=CC=C1NC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006547625	0	41	0.0	-80.54	348.13	7.34	-73.20
C[NH+](C)CCN1N=CC=C1NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006547626	0	43	0.0	-89.82	361.76	3.55	-86.27
C[NH+](C)CCN1N=CC=C1NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006547627	0	41	0.0	-71.61	349.66	7.72	-63.89
CC1=CC=C(C(=O)NC2=CC=NN2CC[NH+](C)C)C=C1C(=O)[O-]	REAL300006547628	0	43	0.0	-93.52	349.12	8.53	-84.99
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006547629	0	39	0.0	-81.92	324.23	6.12	-75.80
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300006547630	0	42	0.0	-56.73	340.52	6.77	-49.96
C[NH+](C)CCN1N=CC=C1NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006547631	0	40	0.0	-104.46	335.08	6.07	-98.39
C[NH+](C)CCN1N=CC=C1NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006547632	0	46	0.0	-105.73	378.68	7.43	-98.30
C[NH+](C)CCN1N=CC=C1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300006547633	0	47	0.0	-91.95	372.83	7.76	-84.19
C[NH+](C)CCN1N=CC=C1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006547634	0	47	0.0	-80.77	371.17	6.71	-74.06
CC1=C(C(=O)NC2=CC=NN2CC[NH+](C)C)OC(C(=O)[O-])=C1	REAL300006547635	0	40	0.0	-57.91	333.29	6.99	-50.92
C[NH+](C)CCN1N=CC=C1NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006547636	0	48	0.0	-69.08	360.18	9.08	-60.00
C[NH+](C)CCN1N=CC=C1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300006547637	0	46	0.0	-84.71	342.35	8.51	-76.20
C[NH+](C)CCN1N=CC=C1NC(=O)CN1CCCC(C(=O)[O-])C1	REAL300006547638	0	48	0.0	-76.97	368.20	5.94	-71.03
C[NH+](C)CCN1N=CC=C1NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006547639	0	47	0.0	-88.39	381.21	8.62	-79.77
C[NH+](C)CCN1N=CC=C1NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006547640	0	47	0.0	-104.76	387.00	10.03	-94.73
C[NH+](C)CCN1N=CC=C1NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006547641	0	44	0.0	-67.37	351.39	8.26	-59.11
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300006547642	0	46	0.0	-83.35	360.65	8.13	-75.22
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300006547643	0	43	0.0	-57.12	345.10	8.58	-48.54
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300006547644	0	42	0.0	-79.45	334.74	6.67	-72.78
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300006547645	0	43	0.0	-77.40	345.09	8.57	-68.83
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006547646	0	40	0.0	-77.37	341.55	8.39	-68.98
C[NH+](C)CCN1N=CC=C1NC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300006547647	0	47	0.0	-83.75	369.96	8.76	-74.99
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=NN2CC[NH+](C)C)=C1	REAL300006547648	0	43	0.0	-52.43	356.91	5.51	-46.92
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300006547649	0	41	0.0	-78.32	331.93	7.11	-71.21
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006547650	0	46	0.0	-79.21	372.65	9.47	-69.74
C[NH+](C)CCN1N=CC=C1NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006547651	0	44	0.0	-79.77	363.06	8.41	-71.36
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CSC(C(=O)[O-])=N1	REAL300006547652	0	36	0.0	-54.16	318.75	5.04	-49.12
CC1=C(C(=O)NC2=CC=NN2CC[NH+](C)C)C=C(C(=O)[O-])S1	REAL300006547653	0	40	0.0	-60.68	338.22	7.75	-52.93
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006547654	0	40	0.0	-79.82	358.88	8.48	-71.34
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=CC=NN2CC[NH+](C)C)=C1	REAL300006547655	0	44	0.0	-83.55	366.78	7.59	-75.96
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006547656	0	43	0.0	-89.05	364.22	9.18	-79.87
C[NH+](C)CCN1N=CC=C1NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006547657	0	45	0.0	-81.11	362.59	7.36	-73.75
C[NH+](C)CCN1N=CC=C1NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006547658	0	44	0.0	-84.62	363.57	9.09	-75.53
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006547659	0	41	0.0	-61.29	354.24	6.92	-54.37
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006547660	0	41	0.0	-78.45	354.42	7.08	-71.37
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006547661	0	41	0.0	-63.89	345.59	6.05	-57.84
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300006547662	0	43	0.0	-89.01	339.20	8.47	-80.54
C[NH+](C)CCN1N=CC=C1NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006547663	0	43	0.0	-85.06	359.35	7.32	-77.74
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC(C(=O)[O-])=CS1	REAL300006547664	0	37	0.0	-83.87	322.28	6.91	-76.96
C[NH+](C)CCN1N=CC=C1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300006547665	0	45	0.0	-77.90	349.39	6.09	-71.81
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006547666	0	46	0.0	-87.08	365.07	9.98	-77.10
CC(C)[C@]1(C(=O)NC2=CC=NN2CC[NH+](C)C)C[C@H]1C(=O)[O-]	REAL300006547667	0	46	0.0	-63.22	358.82	8.34	-54.88
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=NN1CC[NH+](C)C	REAL300006547668	0	46	0.0	-97.45	370.36	9.06	-88.39
C[NH+](C)CCN1N=CC=C1NC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300006547669	0	40	0.0	-90.75	345.20	7.72	-83.03
C[NH+](C)CCN1N=CC=C1NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006547670	0	43	0.0	-99.21	358.20	8.61	-90.60
C[NH+](C)CCN1N=CC=C1NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300006547671	0	47	0.0	-65.87	378.07	9.44	-56.43
C[NH+]1CCN(C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=C(F)C=C2)CC1	REAL300006547696	0	52	0.0	-73.59	401.29	9.21	-64.38
C[NH+]1CCN(C(CNC(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=C(F)C=C2)CC1	REAL300006547697	0	52	0.0	-87.51	411.31	8.96	-78.55
C[NH+]1CCN(C(CNC(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=C(F)C=C2)CC1	REAL300006547698	0	49	0.0	-66.50	394.99	7.89	-58.61
C[NH+]1CCN(C(CNC(=O)C2=CC=CC(C(=O)[O-])=N2)C2=CC=C(F)C=C2)CC1	REAL300006547699	0	51	0.0	-59.04	403.04	6.67	-52.37
C[NH+]1CCN(C(CNC(=O)C2=CC=NC(C(=O)[O-])=C2)C2=CC=C(F)C=C2)CC1	REAL300006547700	0	51	0.0	-89.69	407.39	7.20	-82.49
C[NH+]1CCN(C(CNC(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=C(F)C=C2)CC1	REAL300006547701	0	49	0.0	-71.12	397.74	7.36	-63.76
C[NH+]1CCN(C(CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)C2=CC=C(F)C=C2)CC1	REAL300006547702	0	55	0.0	-83.31	435.59	9.61	-73.70
C[NH+]1CCN(C(CNC(=O)C2(C(=O)[O-])CC2)C2=CC=C(F)C=C2)CC1	REAL300006547703	0	49	0.0	-50.72	377.54	6.95	-43.77
C[NH+]1CCN(C(CNC(=O)C2(C(=O)[O-])CC2)C2=CC=C(F)C=C2)CC1	REAL300006547704	0	49	0.0	-50.72	377.54	6.95	-43.77
C[NH+]1CCN(C(CNC(=O)C2CCCC(C(=O)[O-])C2)C2=CC=C(F)C=C2)CC1	REAL300006547705	0	58	0.0	-87.29	424.51	8.46	-78.83
C[NH+]1CCN(C(CNC(=O)C2=CC=C(C(=O)[O-])N=C2)C2=CC=C(F)C=C2)CC1	REAL300006547706	0	51	0.0	-74.16	400.80	6.62	-67.54
C[NH+]1CCN(C(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C2=CC=C(F)C=C2)CC1	REAL300006547707	0	51	0.0	-62.09	399.49	7.62	-54.47
C[NH+]1CCN(C(CNC(=O)CC(C)(C)CC(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547708	0	57	0.0	-76.46	420.08	8.36	-68.10
C[NH+]1CCN(C(CNC(=O)C2=CN=C(C(=O)[O-])C=N2)C2=CC=C(F)C=C2)CC1	REAL300006547709	0	50	0.0	-66.57	393.69	5.14	-61.43
C[NH+]1CCN(C(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2=CC=C(F)C=C2)CC1	REAL300006547710	0	58	0.0	-74.62	429.75	8.61	-66.01
C[NH+]1CCN(C(CNC(=O)C2CCC(C(=O)[O-])CC2)C2=CC=C(F)C=C2)CC1	REAL300006547711	0	58	0.0	-75.86	431.04	8.63	-67.23
C[NH+]1CCN(C(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)C2=CC=C(F)C=C2)CC1	REAL300006547712	0	55	0.0	-93.22	426.23	9.90	-83.32
C[NH+]1CCN(C(CNC(=O)CN2C=C(C(=O)[O-])N=N2)C2=CC=C(F)C=C2)CC1	REAL300006547713	0	51	0.0	-92.07	403.38	5.88	-86.19
C[NH+]1CCN(C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=C(F)C=C2)CC1	REAL300006547714	0	52	0.0	-73.59	401.29	9.21	-64.38
C[NH+]1CCN(C(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=C(F)C=C2)CC1	REAL300006547715	0	55	0.0	-84.39	409.21	8.13	-76.26
C[NH+]1CCN(C(CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)C2=CC=C(F)C=C2)CC1	REAL300006547716	0	55	0.0	-80.77	433.50	9.73	-71.04
C[NH+]1CCN(C(CNC(=O)C2=C(CC(=O)[O-])OC=C2)C2=CC=C(F)C=C2)CC1	REAL300006547717	0	52	0.0	-79.33	413.76	7.87	-71.46
C[NH+]1CCN(C(CNC(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=C(F)C=C2)CC1	REAL300006547718	0	51	0.0	-73.03	398.30	7.02	-66.01
C[NH+]1CCN(C(CNC(=O)C23CC(C(=O)[O-])(C2)C3)C2=CC=C(F)C=C2)CC1	REAL300006547719	0	53	0.0	-73.33	408.31	7.94	-65.39
C[NH+]1CCN(C(CNC(=O)C2(C(=O)[O-])CCC2)C2=CC=C(F)C=C2)CC1	REAL300006547720	0	52	0.0	-67.25	397.67	7.92	-59.33
C[NH+]1CCN(C(CNC(=O)C(C)(C)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547721	0	51	0.0	-79.49	390.67	8.20	-71.29
C[NH+]1CCN(C(CNC(=O)CC(C)(C)CC(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547722	0	57	0.0	-76.46	420.08	8.36	-68.10
C[NH+]1CCN(C(CNC(=O)CCCC(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547723	0	51	0.0	-79.43	397.72	7.54	-71.89
CC(CC(=O)[O-])CC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547724	0	54	0.0	-78.68	410.33	7.99	-70.69
C[NH+]1CCN(C(CNC(=O)C2=NOC(C(=O)[O-])=C2)C2=CC=C(F)C=C2)CC1	REAL300006547725	0	48	0.0	-62.44	381.57	6.30	-56.14
C[NH+]1CCN(C(CNC(=O)C2(C(=O)[O-])CCCC2)C2=CC=C(F)C=C2)CC1	REAL300006547726	0	55	0.0	-67.15	404.96	8.25	-58.90
CC1=C(C(=O)NCC(C2=CC=C(F)C=C2)N2CC[NH+](C)CC2)C=C(C(=O)[O-])O1	REAL300006547727	0	52	0.0	-61.38	404.70	8.37	-53.01
CC1=C(C(=O)[O-])OC(C(=O)NCC(C2=CC=C(F)C=C2)N2CC[NH+](C)CC2)=C1	REAL300006547728	0	52	0.0	-71.56	415.66	7.95	-63.61
C[NH+]1CCN(C(CNC(=O)CN2C=C(C(=O)[O-])C=N2)C2=CC=C(F)C=C2)CC1	REAL300006547729	0	52	0.0	-86.42	411.66	6.54	-79.88
C[NH+]1CCN(C(CNC(=O)CCSCC(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547730	0	52	0.0	-75.96	420.75	8.13	-67.83
C[NH+]1CCN(C(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C2=CC=C(F)C=C2)CC1	REAL300006547731	0	51	0.0	-62.09	399.49	7.62	-54.47
C[NH+]1CCN(C(CNC(=O)COCC(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547732	0	49	0.0	-81.49	389.85	6.79	-74.70
CN1N=C(C(=O)[O-])C=C1C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547733	0	52	0.0	-70.45	408.09	6.13	-64.32
C[C@@H]1C[C@H](C(=O)NCC(C2=CC=C(F)C=C2)N2CC[NH+](C)CC2)O[C@H]1C(=O)[O-]	REAL300006547734	0	56	0.0	-85.09	427.28	7.92	-77.17
C[NH+]1CCN(C(CNC(=O)C(C)(C)CCC(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547735	0	57	0.0	-81.02	428.88	8.49	-72.53
C[NH+]1CCN(C(CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=C(F)C=C2)CC1	REAL300006547736	0	55	0.0	-73.88	423.49	9.99	-63.89
C[NH+]1CCN(C(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=C(F)C=C2)CC1	REAL300006547737	0	55	0.0	-84.39	409.21	8.13	-76.26
CC1=CC=C(C(=O)NCC(C2=CC=C(F)C=C2)N2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300006547738	0	55	0.0	-84.97	427.10	9.48	-75.49
C[NH+]1CCN(C(CNC(=O)C2=CN=CC(C(=O)[O-])=C2)C2=CC=C(F)C=C2)CC1	REAL300006547739	0	51	0.0	-80.02	406.47	7.18	-72.84
C[NH+]1CCN(C(CNC(=O)CN2C=CC(C(=O)[O-])=N2)C2=CC=C(F)C=C2)CC1	REAL300006547740	0	52	0.0	-95.71	407.64	7.38	-88.33
C[NH+]1CCN(C(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547741	0	52	0.0	-59.26	390.08	7.53	-51.73
C[NH+]1CCN(C(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547742	0	52	0.0	-59.26	390.08	7.53	-51.73
C[NH+]1CCN(C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547743	0	49	0.0	-83.19	385.07	7.45	-75.74
CC1=C(C(=O)NCC(C2=CC=C(F)C=C2)N2CC[NH+](C)CC2)OC(C(=O)[O-])=C1	REAL300006547744	0	52	0.0	-56.29	406.32	8.43	-47.86
CCC(C(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547745	0	51	0.0	-61.25	390.53	7.46	-53.79
CC(C)C(C(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547746	0	54	0.0	-69.49	411.78	7.93	-61.56
C[NH+]1CCN(C(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547747	0	58	0.0	-88.62	413.81	10.06	-78.56
C[NH+]1CCN(C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547748	0	49	0.0	-73.31	381.30	6.93	-66.38
C[NH+]1CCN(C(CNC(=O)C2CC3(CC3C(=O)[O-])C2)C2=CC=C(F)C=C2)CC1	REAL300006547749	0	56	0.0	-74.39	426.00	8.72	-65.67
C[NH+]1CCN(C(CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=C(F)C=C2)CC1	REAL300006547750	0	52	0.0	-77.38	403.02	7.91	-69.47
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547751	0	58	0.0	-83.79	441.32	10.04	-73.75
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547752	0	55	0.0	-60.97	421.45	9.15	-51.82
C[NH+]1CCN(C(CNC(=O)C2CC(C)(C(=O)[O-])C2)C2=CC=C(F)C=C2)CC1	REAL300006547753	0	55	0.0	-73.54	420.08	8.34	-65.20
C[NH+]1CCN(C(CNC(=O)C2=C(C(=O)[O-])SC=C2)C2=CC=C(F)C=C2)CC1	REAL300006547754	0	49	0.0	-85.44	388.64	9.19	-76.25
C[NH+]1CCN(C(CNC(=O)C2=CC(C(=O)[O-])=NN2)C2=CC=C(F)C=C2)CC1	REAL300006547755	0	49	0.0	-83.37	395.17	5.38	-77.99
CCCC(C(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547756	0	54	0.0	-64.68	417.21	8.15	-56.53
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547757	0	55	0.0	-75.29	421.44	9.15	-66.14
CN1C(C(=O)[O-])=CC=C1C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547758	0	53	0.0	-73.33	412.14	8.44	-64.89
C[NH+]1CCN(C(CNC(=O)C2(C(=O)[O-])CC=CC2)C2=CC=C(F)C=C2)CC1	REAL300006547759	0	53	0.0	-69.36	407.34	8.46	-60.90
CC1=NNC(C(=O)NCC(C2=CC=C(F)C=C2)N2CC[NH+](C)CC2)=C1C(=O)[O-]	REAL300006547760	0	52	0.0	-80.90	406.84	6.78	-74.12
C[NH+]1CCN(C(CNC(=O)CC2(CC(=O)[O-])CC2)C2=CC=C(F)C=C2)CC1	REAL300006547761	0	55	0.0	-75.47	422.80	8.68	-66.79
C[NH+]1CCN(C(CNC(=O)C2=CSC(C(=O)[O-])=N2)C2=CC=C(F)C=C2)CC1	REAL300006547762	0	48	0.0	-69.08	400.97	6.10	-62.98
COC(C(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547763	0	49	0.0	-65.82	386.95	6.64	-59.18
C[NH+]1CCN(C(CNC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300006547764	0	52	0.0	-85.24	400.91	8.91	-76.33
C[NH+]1CCN(C(CNC(=O)C23CC(C(=O)[O-])(C2)CO3)C2=CC=C(F)C=C2)CC1	REAL300006547765	0	54	0.0	-73.47	421.21	6.54	-66.93
CC(C(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547766	0	48	0.0	-78.19	373.57	7.57	-70.62
CC1CC1(C(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547767	0	52	0.0	-56.51	391.40	7.67	-48.84
CN1N=CC(C(=O)[O-])=C1C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547768	0	52	0.0	-84.99	405.66	7.74	-77.25
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547769	0	55	0.0	-84.92	421.86	9.56	-75.36
C=C1CCC1(C(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300006547770	0	53	0.0	-37.99	398.43	8.59	-29.40
C[NH+]1CCN(C(CNC(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=C(F)C=C2)CC1	REAL300006547771	0	49	0.0	-82.83	404.52	7.97	-74.86
CC(C)[C@]1(C(=O)NCC(C2=CC=C(F)C=C2)N2CC[NH+](C)CC2)C[C@H]1C(=O)[O-]	REAL300006547772	0	58	0.0	-67.01	431.58	8.93	-58.08
C[NH+]1CCN(C(CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C2=CC=C(F)C=C2)CC1	REAL300006547773	0	55	0.0	-77.95	417.93	8.49	-69.46
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1	REAL300006547774	1	45	0.0	-81.33	347.71	10.49	-70.84
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1	REAL300006547774	1	45	0.0	-82.19	349.36	10.70	-71.49
O=C([O-])COC1=CC=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=C1	REAL300006547775	1	49	0.0	-91.62	378.78	10.81	-80.81
O=C([O-])COC1=CC=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=C1	REAL300006547775	1	49	0.0	-67.14	380.60	11.00	-56.14
O=C([O-])C1=CC=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=C1	REAL300006547776	1	45	0.0	-60.79	347.67	10.52	-50.27
O=C([O-])C1=CC=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=C1	REAL300006547776	1	45	0.0	-95.75	349.60	10.72	-85.03
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)S1	REAL300006547777	1	42	0.0	-71.80	342.25	9.84	-61.96
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)S1	REAL300006547777	1	42	0.0	-73.55	344.18	10.03	-63.52
O=C([O-])C1=CC=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=N1	REAL300006547778	1	44	0.0	-56.41	348.23	9.54	-46.87
O=C([O-])C1=CC=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=N1	REAL300006547778	1	44	0.0	-58.42	350.14	9.78	-48.64
CC(SC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300006547779	1	52	0.0	-81.11	407.56	12.46	-68.65
CC(SC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300006547779	1	52	0.0	-86.96	409.73	12.58	-74.38
O=C([O-])C1=CC=C(CCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1	REAL300006547780	0	51	0.0	-82.90	399.28	12.51	-70.39
O=C([O-])C1=CC=C(CCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1	REAL300006547780	1	51	0.0	-83.60	401.52	12.68	-70.92
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=CC=N1	REAL300006547781	1	44	0.0	-65.42	343.74	8.76	-56.66
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=CC=N1	REAL300006547781	1	44	0.0	-67.73	345.48	8.95	-58.78
O=C([O-])C1=CC=C(C=CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1	REAL300006547782	0	49	0.0	-83.83	387.01	12.16	-71.67
O=C([O-])C1=CC=C(C=CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1	REAL300006547782	1	49	0.0	-84.51	389.94	12.32	-72.19
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=CC([N+](=O)[O-])=C1	REAL300006547783	1	47	0.0	-61.49	375.58	11.17	-50.32
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=CC([N+](=O)[O-])=C1	REAL300006547783	1	47	0.0	-63.35	377.57	11.37	-51.98
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=CC([N+](=O)[O-])=C1	REAL300006547784	1	47	0.0	-61.49	375.58	11.17	-50.32
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=CC([N+](=O)[O-])=C1	REAL300006547784	1	47	0.0	-63.35	377.57	11.37	-51.98
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)O1	REAL300006547785	1	42	0.0	-61.63	337.34	9.37	-52.26
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)O1	REAL300006547785	1	42	0.0	-63.74	339.24	9.53	-54.21
O=C([O-])C1=CC=CC=C1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547786	0	51	0.0	-74.11	390.68	12.25	-61.86
O=C([O-])C1=CC=CC=C1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547786	1	51	0.0	-74.74	392.64	12.42	-62.32
CC1=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=CC(C)=C1OCC(=O)[O-]	REAL300006547787	0	55	0.0	-84.92	422.77	12.30	-72.62
CC1=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=CC(C)=C1OCC(=O)[O-]	REAL300006547787	1	55	0.0	-85.48	424.45	12.51	-72.97
O=C([O-])C1=CC=CC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=C1	REAL300006547788	0	48	0.0	-91.02	377.90	11.69	-79.33
O=C([O-])C1=CC=CC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=C1	REAL300006547788	1	48	0.0	-89.09	380.40	11.88	-77.21
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)CC1	REAL300006547789	1	42	0.0	-61.52	326.30	9.19	-52.33
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)CC1	REAL300006547789	1	42	0.0	-55.78	324.78	9.29	-46.49
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)CC1	REAL300006547790	1	42	0.0	-61.52	326.30	9.19	-52.33
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)CC1	REAL300006547790	1	42	0.0	-55.78	324.78	9.29	-46.49
O=C([O-])C1CCCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C1	REAL300006547791	0	51	0.0	-83.57	369.20	11.03	-72.54
O=C([O-])C1CCCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C1	REAL300006547791	1	51	0.0	-90.90	369.17	10.87	-80.03
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=N1	REAL300006547792	1	44	0.0	-85.80	343.54	8.76	-77.04
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=N1	REAL300006547792	1	44	0.0	-86.83	345.22	8.94	-77.89
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)N=C1	REAL300006547793	1	44	0.0	-66.90	347.79	9.60	-57.30
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)N=C1	REAL300006547793	1	44	0.0	-68.50	349.51	9.80	-58.70
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547794	0	50	0.0	-78.54	362.68	10.46	-68.08
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547794	1	50	0.0	-79.11	364.46	10.62	-68.49
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C(F)=C1	REAL300006547795	1	45	0.0	-79.43	356.87	10.65	-68.78
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C(F)=C1	REAL300006547795	1	45	0.0	-80.54	358.79	10.88	-69.66
O=C([O-])C1=CN=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=N1	REAL300006547796	1	43	0.0	-70.53	343.24	7.76	-62.77
O=C([O-])C1=CN=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=N1	REAL300006547796	1	43	0.0	-71.90	345.02	7.94	-63.96
O=C([O-])[C@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)CC1	REAL300006547797	0	51	0.0	-77.61	377.43	11.05	-66.56
O=C([O-])[C@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)CC1	REAL300006547797	1	51	0.0	-78.57	379.29	11.23	-67.34
O=C([O-])C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)CC1	REAL300006547798	0	51	0.0	-89.65	368.40	11.02	-78.63
O=C([O-])C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)CC1	REAL300006547798	1	51	0.0	-79.26	381.97	11.25	-68.01
O=C([O-])C1=CC=C(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1	REAL300006547799	0	48	0.0	-93.18	378.23	11.72	-81.46
O=C([O-])C1=CC=C(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1	REAL300006547799	1	48	0.0	-93.35	379.90	11.89	-81.46
O=C([O-])C1=CN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)N=N1	REAL300006547800	0	44	0.0	-95.49	355.19	7.63	-87.86
O=C([O-])C1=CN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)N=N1	REAL300006547800	1	44	0.0	-95.09	357.38	7.82	-87.27
CC1=NC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300006547801	1	47	0.0	-68.13	363.44	10.10	-58.03
CC1=NC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300006547801	1	47	0.0	-69.36	366.16	10.26	-59.10
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1	REAL300006547802	1	45	0.0	-81.33	347.71	10.49	-70.84
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1	REAL300006547802	1	45	0.0	-82.19	349.36	10.70	-71.49
O=C([O-])[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C1	REAL300006547803	0	48	0.0	-87.34	358.31	10.41	-76.93
O=C([O-])[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C1	REAL300006547803	1	48	0.0	-87.72	358.85	10.60	-77.12
O=C([O-])CC1=CC=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=C1	REAL300006547804	1	48	0.0	-87.14	369.88	11.30	-75.84
O=C([O-])CC1=CC=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=C1	REAL300006547804	1	48	0.0	-88.22	371.79	11.49	-76.73
O=C([O-])CC1=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=CO1	REAL300006547805	1	45	0.0	-84.84	349.59	9.56	-75.28
O=C([O-])CC1=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=CO1	REAL300006547805	1	45	0.0	-83.79	352.54	9.75	-74.04
CC1=COC(CC(=O)[O-])=C1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547806	1	48	0.0	-48.08	372.88	10.26	-37.82
CC1=COC(CC(=O)[O-])=C1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547806	1	48	0.0	-52.07	378.75	10.56	-41.51
O=C([O-])C1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=C1	REAL300006547807	1	44	0.0	-79.21	347.38	9.62	-69.59
O=C([O-])C1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=C1	REAL300006547807	1	44	0.0	-80.14	350.11	9.74	-70.40
O=C([O-])C12CC(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+]4CC3=CC=CC=C3)(C1)C2	REAL300006547808	1	46	0.0	-76.63	353.59	10.41	-66.22
O=C([O-])C12CC(C(=O)N3C[C@@H]4C[C@H]3C[N@H+]4CC3=CC=CC=C3)(C1)C2	REAL300006547808	1	46	0.0	-77.63	355.91	10.61	-67.02
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)CCC1	REAL300006547809	1	45	0.0	-62.67	336.52	9.47	-53.20
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)CCC1	REAL300006547809	1	45	0.0	-56.42	336.44	9.82	-46.60
CC(C)(C(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547810	1	44	0.0	-59.26	324.98	8.84	-50.42
CC(C)(C(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547810	1	44	0.0	-84.17	324.95	9.79	-74.38
O=C([O-])C1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)CC1	REAL300006547811	0	54	0.0	-86.72	398.40	11.98	-74.74
O=C([O-])C1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)CC1	REAL300006547811	1	54	0.0	-73.94	391.74	11.89	-62.05
O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+]4CC3=CC=CC=C3)(CC1)C2	REAL300006547812	1	52	0.0	-90.41	379.36	11.06	-79.35
O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[C@H]3C[N@H+]4CC3=CC=CC=C3)(CC1)C2	REAL300006547812	1	52	0.0	-90.90	380.97	11.25	-79.65
O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+]4CC3=CC=CC=C3)(CC1)CC2	REAL300006547813	1	55	0.0	-81.51	385.67	11.19	-70.32
O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[C@H]3C[N@H+]4CC3=CC=CC=C3)(CC1)CC2	REAL300006547813	1	55	0.0	-82.44	388.46	11.51	-70.93
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547814	0	50	0.0	-78.54	362.68	10.46	-68.08
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547814	1	50	0.0	-79.11	364.46	10.62	-68.49
O=C([O-])CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547815	0	44	0.0	-82.02	340.44	9.62	-72.40
O=C([O-])CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547815	1	44	0.0	-83.18	342.58	9.76	-73.42
CC(CC(=O)[O-])CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547816	0	47	0.0	-81.27	353.06	10.06	-71.21
CC(CC(=O)[O-])CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547816	1	47	0.0	-81.15	354.71	10.25	-70.90
O=C([O-])C1=C2N=CC=C(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+]4CC3=CC=CC=C3)N2N=C1	REAL300006547817	1	47	0.0	-91.29	381.59	9.70	-81.59
O=C([O-])C1=C2N=CC=C(C(=O)N3C[C@@H]4C[C@H]3C[N@H+]4CC3=CC=CC=C3)N2N=C1	REAL300006547817	1	47	0.0	-92.59	383.49	9.93	-82.66
O=C([O-])CC1=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)NC2=CC=CC=C21	REAL300006547818	1	52	0.0	-91.37	400.11	11.77	-79.60
O=C([O-])CC1=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)NC2=CC=CC=C21	REAL300006547818	1	52	0.0	-90.24	402.48	11.93	-78.31
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=NO1	REAL300006547819	1	41	0.0	-66.70	331.96	8.69	-58.01
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=NO1	REAL300006547819	1	41	0.0	-68.47	334.13	8.80	-59.67
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)CCCC1	REAL300006547820	1	48	0.0	-61.55	346.38	10.03	-51.52
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)CCCC1	REAL300006547820	1	48	0.0	-60.11	349.13	10.30	-49.81
CC1=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300006547821	1	45	0.0	-67.82	350.44	9.78	-58.04
CC1=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300006547821	1	45	0.0	-69.69	352.72	9.95	-59.74
CC1=C(C(=O)[O-])OC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=C1	REAL300006547822	1	45	0.0	-61.69	355.13	9.94	-51.75
CC1=C(C(=O)[O-])OC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=C1	REAL300006547822	1	45	0.0	-63.78	357.04	10.13	-53.65
O=C([O-])C1=CN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)N=C1	REAL300006547823	0	45	0.0	-90.37	360.25	9.14	-81.23
O=C([O-])C1=CN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)N=C1	REAL300006547823	1	45	0.0	-90.48	362.30	9.30	-81.18
O=C([O-])C=CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)O1	REAL300006547824	1	46	0.0	-65.37	370.02	10.55	-54.82
O=C([O-])C=CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)O1	REAL300006547824	1	46	0.0	-67.35	373.06	10.72	-56.63
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)CC2(CCC2)C1	REAL300006547825	1	52	0.0	-60.01	380.34	11.18	-48.83
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)CC2(CCC2)C1	REAL300006547825	1	52	0.0	-57.86	385.93	11.54	-46.32
O=C([O-])COC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1	REAL300006547826	1	49	0.0	-81.41	378.37	10.80	-70.61
O=C([O-])COC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1	REAL300006547826	1	49	0.0	-82.32	380.37	10.98	-71.34
O=C([O-])CSCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547827	0	45	0.0	-76.26	363.36	10.23	-66.03
O=C([O-])CSCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547827	1	45	0.0	-77.02	365.41	10.38	-66.64
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)N=C1	REAL300006547828	1	44	0.0	-66.90	347.79	9.60	-57.30
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)N=C1	REAL300006547828	1	44	0.0	-68.50	349.51	9.80	-58.70
O=C([O-])COCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547829	0	42	0.0	-84.91	332.23	8.91	-76.00
O=C([O-])COCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547829	1	42	0.0	-84.96	334.86	9.11	-75.85
CN1N=C(C(=O)[O-])C=C1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547830	1	45	0.0	-73.71	349.93	8.30	-65.41
CN1N=C(C(=O)[O-])C=C1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547830	1	45	0.0	-75.38	351.99	8.49	-66.89
C[C@@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)O[C@H]1C(=O)[O-]	REAL300006547831	1	49	0.0	-85.62	371.69	10.39	-75.23
C[C@@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)O[C@H]1C(=O)[O-]	REAL300006547831	1	49	0.0	-86.55	373.28	10.55	-76.00
CC(C)(CCC(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547832	1	50	0.0	-85.88	361.14	9.99	-75.89
CC(C)(CCC(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547832	1	50	0.0	-86.12	363.80	10.07	-76.05
O=C([O-])CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1	REAL300006547833	1	48	0.0	-78.53	369.90	11.26	-67.27
O=C([O-])CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1	REAL300006547833	1	48	0.0	-78.16	371.55	11.48	-66.68
O=C([O-])C=CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1	REAL300006547834	1	49	0.0	-82.75	379.58	11.81	-70.94
O=C([O-])C=CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1	REAL300006547834	1	49	0.0	-83.74	381.44	11.98	-71.76
O=C([O-])C1=COC(C=CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=C1	REAL300006547835	0	46	0.0	-80.14	371.92	10.42	-69.72
O=C([O-])C1=COC(C=CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=C1	REAL300006547835	1	46	0.0	-80.94	373.76	10.61	-70.33
O=C([O-])CCC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547836	1	51	0.0	-83.38	390.45	12.13	-71.25
O=C([O-])CCC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547836	1	51	0.0	-80.40	392.34	12.27	-68.13
O=C([O-])C1=C(COCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)OC=N1	REAL300006547837	0	48	0.0	-88.82	386.23	6.81	-82.01
O=C([O-])C1=C(COCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)OC=N1	REAL300006547837	1	48	0.0	-89.15	388.05	6.99	-82.16
O=C([O-])C1=CC=C(C=CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)O1	REAL300006547838	0	46	0.0	-71.96	373.55	10.79	-61.17
O=C([O-])C1=CC=C(C=CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)O1	REAL300006547838	1	46	0.0	-73.35	375.39	10.98	-62.37
O=C([O-])[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C1	REAL300006547839	0	48	0.0	-87.34	358.31	10.41	-76.93
O=C([O-])[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C1	REAL300006547839	1	48	0.0	-87.72	358.85	10.60	-77.12
CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006547840	1	48	0.0	-58.93	363.41	11.04	-47.89
CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006547840	1	48	0.0	-96.51	368.61	11.31	-85.20
O=C([O-])C1=CN=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=C1	REAL300006547841	1	44	0.0	-60.47	342.83	8.75	-51.72
O=C([O-])C1=CN=CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=C1	REAL300006547841	1	44	0.0	-62.60	344.70	8.93	-53.67
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547842	1	47	0.0	-64.41	364.32	9.45	-54.96
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O=C([O-])C1=NC=CC=C1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547886	1	50	0.0	-80.76	389.12	10.67	-70.09
O=C([O-])C12CC(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+]4CC3=CC=CC=C3)(C1)OC2	REAL300006547887	1	47	0.0	-72.36	360.64	8.77	-63.59
O=C([O-])C12CC(C(=O)N3C[C@@H]4C[C@H]3C[N@H+]4CC3=CC=CC=C3)(C1)OC2	REAL300006547887	1	47	0.0	-73.49	362.16	8.94	-64.55
O=C([O-])C1=CC=C(/C=C/C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1	REAL300006547888	0	49	0.0	-84.05	387.27	12.13	-71.92
O=C([O-])C1=CC=C(/C=C/C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1	REAL300006547888	1	49	0.0	-84.45	389.53	12.39	-72.06
CC1CC1(C(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547889	1	45	0.0	-63.86	343.75	9.79	-54.07
CC1CC1(C(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547889	1	45	0.0	-55.02	340.30	10.04	-44.98
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)CC2(CCC2)C1	REAL300006547890	1	52	0.0	-60.01	380.34	11.18	-48.83
O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)CC2(CCC2)C1	REAL300006547890	1	52	0.0	-57.86	385.93	11.54	-46.32
CN1N=CC(C(=O)[O-])=C1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547891	1	45	0.0	-76.70	359.48	8.41	-68.29
CN1N=CC(C(=O)[O-])=C1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547891	1	45	0.0	-71.45	361.79	8.58	-62.87
O=C([O-])C1=CSC2=C1NC(C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CC1=CC=CC=C1)=C2	REAL300006547892	1	46	0.0	-64.26	373.26	10.09	-54.17
O=C([O-])C1=CSC2=C1NC(C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CC1=CC=CC=C1)=C2	REAL300006547892	1	46	0.0	-66.09	375.54	10.25	-55.84
O=C([O-])C1=CC2=C(C=C(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+]4CC3=CC=CC=C3)N2)S1	REAL300006547893	1	46	0.0	-80.92	373.60	10.19	-70.73
O=C([O-])C1=CC2=C(C=C(C(=O)N3C[C@@H]4C[C@H]3C[N@H+]4CC3=CC=CC=C3)N2)S1	REAL300006547893	1	46	0.0	-82.33	375.75	10.42	-71.91
O=C([O-])C1=COC2=C1NC(C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CC1=CC=CC=C1)=C2	REAL300006547894	1	46	0.0	-66.92	364.88	9.16	-57.76
O=C([O-])C1=COC2=C1NC(C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CC1=CC=CC=C1)=C2	REAL300006547894	1	46	0.0	-68.77	366.76	9.41	-59.36
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547895	1	48	0.0	-85.83	364.71	11.11	-74.72
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547895	1	48	0.0	-84.43	365.82	11.33	-73.10
O=C([O-])C1=CC=C(C=CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=N1	REAL300006547896	0	48	0.0	-84.08	383.13	10.40	-73.68
O=C([O-])C1=CC=C(C=CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=N1	REAL300006547896	1	48	0.0	-84.97	385.08	10.58	-74.39
C=C1CCC1(C(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547897	0	46	0.0	-55.99	339.97	9.71	-46.28
C=C1CCC1(C(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547897	1	46	0.0	-59.84	351.78	10.21	-49.63
O=C([O-])C1=CSC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=C1	REAL300006547898	1	42	0.0	-89.19	341.15	9.70	-79.49
O=C([O-])C1=CSC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=C1	REAL300006547898	1	42	0.0	-90.19	343.07	9.88	-80.31
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547899	0	50	0.0	-74.77	372.04	9.61	-65.16
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547899	1	50	0.0	-76.06	374.72	9.65	-66.41
O=C([O-])C1=CC=CC2=C(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+]4CC3=CC=CC=C3)C=CC=C12	REAL300006547900	0	51	0.0	-85.40	389.92	12.71	-72.69
O=C([O-])C1=CC=CC2=C(C(=O)N3C[C@@H]4C[C@H]3C[N@H+]4CC3=CC=CC=C3)C=CC=C12	REAL300006547900	1	51	0.0	-86.17	391.94	12.91	-73.26
CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006547901	1	51	0.0	-51.35	370.53	10.57	-40.78
CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006547901	1	51	0.0	-69.94	377.84	10.93	-59.01
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547902	0	51	0.0	-95.16	394.91	12.16	-83.00
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547902	1	51	0.0	-95.56	397.35	12.37	-83.19
O=C([O-])C1=CSC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)=C1	REAL300006547903	0	45	0.0	-88.68	369.81	10.85	-77.83
O=C([O-])C1=CSC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)=C1	REAL300006547903	1	45	0.0	-88.94	371.81	11.04	-77.90
O=C([O-])C1=CC=C(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)C=C1F	REAL300006547904	0	48	0.0	-96.18	382.67	11.73	-84.45
O=C([O-])C1=CC=C(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)C=C1F	REAL300006547904	1	48	0.0	-96.07	385.38	11.90	-84.17
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300006547905	0	48	0.0	-76.03	359.90	10.48	-65.55
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300006547905	1	48	0.0	-75.36	361.56	10.71	-64.65
O=C([O-])C1=C2CCCCC2=C(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CC=CC=C2)S1	REAL300006547906	1	52	0.0	-71.35	397.00	12.21	-59.14
O=C([O-])C1=C2CCCCC2=C(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CC=CC=C2)S1	REAL300006547906	1	52	0.0	-73.22	399.04	12.37	-60.85
O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+]4CC3=CC=CC=C3)(CC1)CC2	REAL300006547907	1	55	0.0	-81.51	385.67	11.19	-70.32
O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[C@H]3C[N@H+]4CC3=CC=CC=C3)(CC1)CC2	REAL300006547907	1	55	0.0	-82.44	388.46	11.51	-70.93
C[NH+](C)CCCCCCNC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300006547908	0	49	0.0	-81.48	390.08	8.86	-72.62
CC(SC1=CC=CC=C1C(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300006547909	0	52	0.0	-83.71	411.55	10.34	-73.37
CCOC1=CC(C(=O)NCCCCCC[NH+](C)C)=CC=C1OCC(=O)[O-]	REAL300006547910	0	56	0.0	-79.37	441.07	9.54	-69.83
C[NH+](C)CCCCCCNC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300006547911	0	51	0.0	-78.84	405.06	10.07	-68.77
C[NH+](C)CCCCCCNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300006547912	0	49	0.0	-78.17	393.52	9.78	-68.39
C[NH+](C)CCCCCCNC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006547913	0	53	0.0	-77.24	437.73	4.98	-72.26
C[NH+](C)CCCCCCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006547914	0	47	0.0	-73.83	387.15	9.25	-64.58
C[NH+](C)CCCCCCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006547915	0	47	0.0	-73.83	387.15	9.25	-64.58
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCCCCCC[NH+](C)C)C=C1	REAL300006547916	0	55	0.0	-78.76	433.99	10.16	-68.60
C[NH+](C)CCCCCCNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006547917	0	52	0.0	-88.00	416.64	10.18	-77.82
C[NH+](C)CCCCCCNC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300006547918	0	51	0.0	-75.85	396.52	9.81	-66.04
CC1=CC(C(=O)NCCCCCC[NH+](C)C)=CC(C)=C1OCC(=O)[O-]	REAL300006547919	0	55	0.0	-76.24	434.09	10.42	-65.82
C[NH+](C)CCCCCCNC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300006547920	0	48	0.0	-84.05	383.67	9.27	-74.78
C[NH+](C)CCCCCCNC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300006547921	0	45	0.0	-74.44	363.52	8.67	-65.77
C[NH+](C)CCCCCCNC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300006547922	0	48	0.0	-84.85	383.67	9.28	-75.57
CC1=NC(C(=O)NCCCCCC[NH+](C)C)=CC=C1C(=O)[O-]	REAL300006547923	0	47	0.0	-66.34	372.66	7.37	-58.97
C[NH+](C)CCCCCCNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300006547924	0	45	0.0	-77.10	380.28	9.19	-67.91
C[NH+](C)CCCCCCNC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300006547925	0	48	0.0	-79.01	381.19	9.36	-69.65
C[NH+](C)CCCCCCNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300006547926	0	55	0.0	-80.71	425.16	11.93	-68.78
CC1=COC(CC(=O)[O-])=C1C(=O)NCCCCCC[NH+](C)C	REAL300006547927	0	48	0.0	-79.22	388.29	8.13	-71.09
C[NH+](C)CCCCCCNC(=O)CC1CCC(C(=O)[O-])CC1	REAL300006547928	0	54	0.0	-73.88	396.65	9.33	-64.55
C[NH+](C)CCCCCCNC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300006547929	0	52	0.0	-81.76	392.97	8.97	-72.79
C[NH+](C)CCCCCCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006547930	0	55	0.0	-75.55	402.55	9.50	-66.05
C[NH+](C)CCCCCCNC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300006547931	0	47	0.0	-78.16	380.86	7.89	-70.27
C[NH+](C)CCCCCCNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006547932	0	52	0.0	-85.01	411.15	9.31	-75.70
C[NH+](C)CCCCCCNC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006547933	0	58	0.0	-75.55	437.90	11.48	-64.07
C[NH+](C)CCCCCCNC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300006547934	0	46	0.0	-68.85	378.55	8.17	-60.68
C[NH+](C)CCCCCCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300006547935	0	52	0.0	-62.99	389.42	9.38	-53.61
C[NH+](C)CCCCCCNC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300006547936	0	49	0.0	-74.28	390.00	8.86	-65.42
C[NH+](C)CCCCCCNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006547937	0	54	0.0	-83.53	427.33	9.17	-74.36
C[C@@H]1C[C@H](C(=O)NCCCCCC[NH+](C)C)O[C@H]1C(=O)[O-]	REAL300006547938	0	49	0.0	-81.35	381.32	8.10	-73.25
C[NH+](C)CCCCCCNC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006547939	0	48	0.0	-72.64	381.18	9.36	-63.28
C[NH+](C)CCCCCCNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006547940	0	49	0.0	-77.96	391.07	9.90	-68.06
C[NH+](C)CCCCCCNC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006547941	0	46	0.0	-75.14	378.07	8.03	-67.11
C[NH+](C)CCCCCCNC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300006547942	0	51	0.0	-83.12	393.98	10.13	-72.99
C[NH+](C)CCCCCCNC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006547943	0	48	0.0	-86.25	391.76	4.34	-81.91
C[NH+](C)CCCCCCNC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006547944	0	46	0.0	-72.25	379.60	8.39	-63.86
CC1=CC=C(C(=O)NCCCCCC[NH+](C)C)C=C1C(=O)[O-]	REAL300006547945	0	48	0.0	-84.03	374.99	9.12	-74.91
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCCCCCC[NH+](C)C	REAL300006547946	0	47	0.0	-64.36	370.45	7.45	-56.91
C[NH+](C)CCCCCCNC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006547947	0	51	0.0	-94.42	408.68	8.12	-86.30
C[NH+](C)CCCCCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300006547948	0	52	0.0	-83.72	402.55	8.53	-75.19
C[NH+](C)CCCCCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006547949	0	52	0.0	-75.84	401.80	7.40	-68.44
C[NH+](C)CCCCCCNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006547950	0	53	0.0	-71.98	390.64	9.66	-62.32
C[NH+](C)CCCCCCNC(=O)CN1CCCC(C(=O)[O-])C1	REAL300006547951	1	53	0.0	-73.19	398.18	6.64	-66.55
C[NH+](C)CCCCCCNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300006547952	0	52	0.0	-63.23	398.94	10.63	-52.60
C[NH+](C)CCCCCCNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006547953	0	52	0.0	-85.01	411.15	9.31	-75.70
C[NH+](C)CCCCCCNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006547954	0	52	0.0	-93.30	417.02	10.71	-82.59
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCCCCCC[NH+](C)C	REAL300006547955	0	48	0.0	-67.29	375.03	9.27	-58.02
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCCCCCC[NH+](C)C	REAL300006547956	0	47	0.0	-73.96	364.64	7.35	-66.61
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCCCCCC[NH+](C)C	REAL300006547957	0	48	0.0	-74.24	375.02	9.27	-64.97
C[NH+](C)CCCCCCNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006547958	0	45	0.0	-73.03	371.48	9.10	-63.93
C[NH+](C)CCCCCCNC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300006547959	0	52	0.0	-76.86	399.96	9.44	-67.42
COC1=CC(C(=O)[O-])=NC(C(=O)NCCCCCC[NH+](C)C)=C1	REAL300006547960	0	48	0.0	-65.21	386.85	6.20	-59.01
C[NH+](C)CCCCCCNC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006547961	0	51	0.0	-73.76	402.58	10.16	-63.60
C[NH+](C)CCCCCCNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006547962	0	49	0.0	-74.01	393.07	9.10	-64.91
CC1=C(C(=O)NCCCCCC[NH+](C)C)C=C(C(=O)[O-])S1	REAL300006547963	0	45	0.0	-67.54	368.25	8.42	-59.12
C[NH+](C)CCCCCCNC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006547964	0	45	0.0	-74.73	388.81	9.16	-65.57
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCCCCCC[NH+](C)C)=C1	REAL300006547965	0	49	0.0	-77.64	396.71	8.26	-69.38
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCCCCCC[NH+](C)C	REAL300006547966	0	48	0.0	-67.99	382.92	8.89	-59.10
C[NH+](C)CCCCCCNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006547967	0	48	0.0	-84.51	394.16	9.87	-74.64
C[NH+](C)CCCCCCNC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006547968	0	50	0.0	-79.35	392.13	8.05	-71.30
C[NH+](C)CCCCCCNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006547969	0	49	0.0	-78.15	393.51	9.78	-68.37
C[NH+](C)CCCCCCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300006547970	0	52	0.0	-62.99	389.42	9.38	-53.61
C[NH+](C)CCCCCCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006547971	0	46	0.0	-68.35	384.17	7.59	-60.76
C[NH+](C)CCCCCCNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006547972	0	46	0.0	-74.78	384.35	7.73	-67.05
C[NH+](C)CCCCCCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006547973	0	46	0.0	-69.11	375.52	6.75	-62.36
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCCCCCC[NH+](C)C	REAL300006547974	0	48	0.0	-81.08	369.15	9.15	-71.93
C[NH+](C)CCCCCCNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006547975	0	48	0.0	-79.74	389.29	8.01	-71.73
C[NH+](C)CCCCCCNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300006547976	0	50	0.0	-77.68	379.40	6.86	-70.82
C[NH+](C)CCCCCCNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006547977	0	51	0.0	-79.70	395.00	10.65	-69.05
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCCCCCC[NH+](C)C	REAL300006547978	0	51	0.0	-86.22	400.78	9.79	-76.43
C[NH+](C)CCCCCCNC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300006547979	0	45	0.0	-82.86	375.21	8.40	-74.46
C[NH+](C)CCCCCCNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006547980	0	48	0.0	-87.42	388.21	9.30	-78.12
C[NH+](C)CCCCCCNC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300006547981	0	52	0.0	-69.93	408.00	10.13	-59.80
C[NH+](C)CCCCCCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006547982	0	55	0.0	-75.55	402.55	9.50	-66.05
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN=C(C3=CC=CC=C3)C=N2)C1	REAL300006548059	0	48	0.0	-51.88	383.40	7.34	-44.54
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN=C(C3=CC=CC=C3)C=N2)C1	REAL300006548059	1	48	0.0	-49.24	377.20	7.32	-41.92
C[N@@H+]1CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC12CCC2	REAL300006548112	0	45	0.0	-75.59	350.57	7.72	-67.87
C[N@H+]1CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC12CCC2	REAL300006548112	1	45	0.0	-74.99	348.14	7.66	-67.33
CC(SC1=CC=CC=C1C(=O)NC1C[N@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300006548113	0	48	0.0	-71.28	374.49	9.27	-62.01
CC(SC1=CC=CC=C1C(=O)NC1C[N@@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300006548113	1	48	0.0	-71.23	374.49	9.27	-61.96
CCOC1=CC(C(=O)NC2C[N@H+](C)C3(CCC3)C2)=CC=C1OCC(=O)[O-]	REAL300006548114	0	52	0.0	-75.71	399.14	8.34	-67.37
CCOC1=CC(C(=O)NC2C[N@@H+](C)C3(CCC3)C2)=CC=C1OCC(=O)[O-]	REAL300006548114	1	52	0.0	-76.28	401.57	8.40	-67.88
C[N@@H+]1CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC12CCC2	REAL300006548115	0	47	0.0	-74.78	365.92	8.93	-65.85
C[N@H+]1CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC12CCC2	REAL300006548115	1	47	0.0	-74.80	365.96	8.94	-65.86
C[N@@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC12CCC2	REAL300006548116	0	45	0.0	-74.75	354.26	8.67	-66.08
C[N@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC12CCC2	REAL300006548116	1	45	0.0	-74.51	351.56	8.58	-65.93
C[N@@H+]1CC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCC2	REAL300006548117	0	49	0.0	-72.33	398.57	3.83	-68.50
C[N@H+]1CC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCC2	REAL300006548117	1	49	0.0	-74.23	395.75	3.78	-70.45
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCC2	REAL300006548118	0	43	0.0	-70.66	347.66	8.10	-62.56
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCC2	REAL300006548118	1	43	0.0	-70.17	347.61	8.18	-61.99
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCC2	REAL300006548119	0	43	0.0	-70.66	347.66	8.10	-62.56
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCC2	REAL300006548119	1	43	0.0	-70.17	347.61	8.18	-61.99
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2C[N@@H+](C)C3(CCC3)C2)C=C1	REAL300006548120	0	51	0.0	-76.13	394.47	9.05	-67.08
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2C[N@H+](C)C3(CCC3)C2)C=C1	REAL300006548120	1	51	0.0	-76.32	394.89	9.01	-67.31
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCC2	REAL300006548121	0	48	0.0	-72.60	377.72	8.46	-64.14
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCC2	REAL300006548121	1	48	0.0	-72.12	377.60	8.47	-63.65
C[N@@H+]1CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])CC12CCC2	REAL300006548122	0	47	0.0	-66.21	356.85	8.64	-57.57
C[N@H+]1CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])CC12CCC2	REAL300006548122	1	47	0.0	-67.23	356.95	8.67	-58.56
CC1=CC(C(=O)NC2C[N@@H+](C)C3(CCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006548123	0	51	0.0	-72.55	394.95	9.28	-63.27
CC1=CC(C(=O)NC2C[N@H+](C)C3(CCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006548123	1	51	0.0	-72.59	394.71	9.25	-63.34
C[N@@H+]1CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC12CCC2	REAL300006548124	0	44	0.0	-74.26	344.47	8.14	-66.12
C[N@H+]1CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC12CCC2	REAL300006548124	1	44	0.0	-73.90	344.56	8.12	-65.78
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC12CCC2	REAL300006548125	0	41	0.0	-70.04	324.42	7.52	-62.52
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC12CCC2	REAL300006548125	1	41	0.0	-70.09	324.16	7.49	-62.60
C[N@@H+]1CC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC12CCC2	REAL300006548126	0	44	0.0	-79.43	344.52	8.13	-71.30
C[N@H+]1CC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC12CCC2	REAL300006548126	1	44	0.0	-79.75	344.18	8.12	-71.63
CC1=NC(C(=O)NC2C[N@@H+](C)C3(CCC3)C2)=CC=C1C(=O)[O-]	REAL300006548127	0	43	0.0	-61.33	333.21	6.23	-55.10
CC1=NC(C(=O)NC2C[N@H+](C)C3(CCC3)C2)=CC=C1C(=O)[O-]	REAL300006548127	1	43	0.0	-60.92	330.67	6.17	-54.75
C[N@@H+]1CC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC12CCC2	REAL300006548128	0	41	0.0	-71.50	340.78	8.04	-63.46
C[N@H+]1CC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC12CCC2	REAL300006548128	1	41	0.0	-70.83	340.91	8.02	-62.81
C[N@@H+]1CC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC12CCC2	REAL300006548129	0	44	0.0	-72.58	341.68	8.20	-64.38
C[N@H+]1CC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC12CCC2	REAL300006548129	1	44	0.0	-70.15	339.25	8.15	-62.00
C[N@@H+]1CC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC12CCC2	REAL300006548130	0	51	0.0	-57.93	385.52	10.82	-47.11
C[N@H+]1CC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC12CCC2	REAL300006548130	1	51	0.0	-57.48	382.96	10.78	-46.70
CC1=COC(CC(=O)[O-])=C1C(=O)NC1C[N@@H+](C)C2(CCC2)C1	REAL300006548131	0	44	0.0	-49.43	348.81	6.98	-42.45
CC1=COC(CC(=O)[O-])=C1C(=O)NC1C[N@H+](C)C2(CCC2)C1	REAL300006548131	1	44	0.0	-49.75	348.89	7.04	-42.71
C[N@@H+]1CC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC12CCC2	REAL300006548132	0	50	0.0	-62.21	356.25	8.13	-54.08
C[N@H+]1CC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC12CCC2	REAL300006548132	1	50	0.0	-73.79	364.44	8.35	-65.44
C[N@@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC12CCC2	REAL300006548133	0	48	0.0	-77.15	353.45	7.82	-69.33
C[N@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC12CCC2	REAL300006548133	1	48	0.0	-76.77	353.54	7.90	-68.87
C[N@@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCC2	REAL300006548134	0	51	0.0	-72.57	363.42	8.35	-64.22
C[N@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCC2	REAL300006548134	1	51	0.0	-72.59	363.25	8.33	-64.26
C[N@@H+]1CC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC12CCC2	REAL300006548135	0	43	0.0	-73.51	341.52	6.75	-66.76
C[N@H+]1CC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC12CCC2	REAL300006548135	1	43	0.0	-73.47	341.49	6.73	-66.74
C[N@@H+]1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCC2	REAL300006548136	0	48	0.0	-75.65	371.63	8.15	-67.50
C[N@H+]1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCC2	REAL300006548136	1	48	0.0	-75.34	369.13	8.09	-67.25
C[N@@H+]1CC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC12CCC2	REAL300006548137	0	54	0.0	-70.84	398.84	10.35	-60.49
C[N@H+]1CC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC12CCC2	REAL300006548137	1	54	0.0	-70.87	398.55	10.31	-60.56
C[N@@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC12CCC2	REAL300006548138	0	42	0.0	-64.00	339.04	7.03	-56.97
C[N@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC12CCC2	REAL300006548138	1	42	0.0	-63.82	339.19	7.02	-56.80
C[N@@H+]1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCC2	REAL300006548139	0	48	0.0	-46.01	347.94	8.08	-37.93
C[N@H+]1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCC2	REAL300006548139	1	48	0.0	-46.68	350.42	8.14	-38.54
C[N@@H+]1CC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC12CCC2	REAL300006548140	0	45	0.0	-69.96	350.88	7.74	-62.22
C[N@H+]1CC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC12CCC2	REAL300006548140	1	45	0.0	-70.05	350.65	7.71	-62.34
C[N@@H+]1CC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCC2	REAL300006548141	0	50	0.0	-80.20	387.88	8.08	-72.12
C[N@H+]1CC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCC2	REAL300006548141	1	50	0.0	-73.31	387.42	8.00	-65.31
C[N@@H+]1CC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC12CCC2	REAL300006548142	0	44	0.0	-67.44	342.05	8.23	-59.21
C[N@H+]1CC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC12CCC2	REAL300006548142	1	44	0.0	-67.54	341.82	8.19	-59.35
C[N@@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC12CCC2	REAL300006548143	0	45	0.0	-72.04	351.95	8.75	-63.29
C[N@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC12CCC2	REAL300006548143	1	45	0.0	-72.20	351.72	8.70	-63.50
C[N@@H+]1CC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC12CCC2	REAL300006548144	0	42	0.0	-70.53	338.82	6.92	-63.61
C[N@H+]1CC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC12CCC2	REAL300006548144	1	42	0.0	-70.30	336.06	6.83	-63.47
C[N@@H+]1CC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])CC12CCC2	REAL300006548145	0	47	0.0	-69.96	354.89	9.00	-60.96
C[N@H+]1CC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])CC12CCC2	REAL300006548145	1	47	0.0	-71.31	352.00	8.93	-62.38
C[N@@H+]1CC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)CC12CCC2	REAL300006548146	0	44	0.0	-78.31	352.63	3.18	-75.13
C[N@H+]1CC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)CC12CCC2	REAL300006548146	1	44	0.0	-74.96	349.80	3.13	-71.83
C[N@@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC12CCC2	REAL300006548147	0	42	0.0	-67.34	340.35	7.29	-60.05
C[N@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC12CCC2	REAL300006548147	1	42	0.0	-67.03	337.65	7.19	-59.84
CC1=CC=C(C(=O)NC2C[N@@H+](C)C3(CCC3)C2)C=C1C(=O)[O-]	REAL300006548148	0	44	0.0	-77.36	335.45	7.97	-69.39
CC1=CC=C(C(=O)NC2C[N@H+](C)C3(CCC3)C2)C=C1C(=O)[O-]	REAL300006548148	1	44	0.0	-78.48	337.13	8.01	-70.47
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1C[N@@H+](C)C2(CCC2)C1	REAL300006548149	0	43	0.0	-59.01	330.97	6.31	-52.70
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1C[N@H+](C)C2(CCC2)C1	REAL300006548149	1	43	0.0	-58.55	328.43	6.25	-52.30
C[N@@H+]1CC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC12CCC2	REAL300006548150	0	47	0.0	-84.79	369.23	7.04	-77.75
C[N@H+]1CC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC12CCC2	REAL300006548150	1	47	0.0	-85.53	369.20	6.98	-78.55
C[N@@H+]1CC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC12CCC2	REAL300006548151	0	48	0.0	-74.80	363.41	7.44	-67.36
C[N@H+]1CC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC12CCC2	REAL300006548151	1	48	0.0	-75.24	363.34	7.34	-67.90
C[N@@H+]1CC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC12CCC2	REAL300006548152	0	48	0.0	-68.71	361.66	6.27	-62.44
C[N@H+]1CC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC12CCC2	REAL300006548152	1	48	0.0	-68.59	359.54	6.19	-62.40
C[N@@H+]1CC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC12CCC2	REAL300006548153	0	49	0.0	-43.80	350.84	8.54	-35.26
C[N@H+]1CC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC12CCC2	REAL300006548153	1	49	0.0	-48.80	343.39	8.82	-39.98
C[N@@H+]1CC(NC(=O)CN2CCCC(C(=O)[O-])C2)CC12CCC2	REAL300006548154	1	49	0.0	-66.81	354.63	5.18	-61.63
C[N@H+]1CC(NC(=O)CN2CCCC(C(=O)[O-])C2)CC12CCC2	REAL300006548154	1	49	0.0	-67.97	358.81	5.47	-62.50
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CC[N@H+](CC1=CC=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C=C1)C(C)C	REAL300006551251	0	59	0.0	-77.67	441.86	9.92	-67.75
CC[N@@H+](CC1=CC=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C=C1)C(C)C	REAL300006551251	1	59	0.0	-77.74	432.68	9.48	-68.26
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C[NH+](C)CCC1=CC=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C=C1	REAL300006551477	0	53	0.0	-84.99	415.81	9.15	-75.84
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C[N@H+](CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])CC(C)(C)C	REAL300006551550	0	52	0.0	-59.56	385.32	7.38	-52.18
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C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551552	0	53	0.0	-63.07	414.30	9.25	-53.82
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CC[C@@H](C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])[NH+](C)C	REAL300006551557	0	46	0.0	-56.38	345.83	5.81	-50.57
C[N@@H+]1CCCC(O)(CC(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006551559	0	51	0.0	-60.52	375.80	4.97	-55.55
C[N@H+]1CCCC(O)(CC(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006551559	1	51	0.0	-59.94	385.50	5.16	-54.78
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CCCCCC[N@@H+](C)CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551583	1	55	0.0	-60.95	418.89	8.57	-52.38
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CC(C)[NH+]1CCN(CCCC(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC1	REAL300006551632	0	61	0.0	-71.64	452.04	6.79	-64.85
CC(C)N1CC[NH+](CCCC(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC1	REAL300006551632	1	61	0.0	-69.92	448.35	6.58	-63.34
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O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006551646	0	56	0.0	-68.48	431.19	8.14	-60.34
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CC(C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006551651	1	54	0.0	-60.20	413.52	9.18	-51.02
CC(C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006551651	1	54	0.0	-59.83	410.22	9.38	-50.45
CCCC(C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])[NH+](C)C	REAL300006551670	0	49	0.0	-58.62	369.30	6.72	-51.90
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006551671	0	57	0.0	-73.37	440.32	10.02	-63.35
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006551671	1	57	0.0	-73.57	440.76	10.02	-63.55
C[NH+](C)CCN1C=CC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])=N1	REAL300006551686	0	50	0.0	-85.58	399.87	6.31	-79.27
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551687	0	50	0.0	-65.33	394.92	6.28	-59.05
C[C@@H]1[C@H](C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC[N@@H+]1C	REAL300006551690	0	47	0.0	-66.50	351.79	5.78	-60.72
C[C@@H]1[C@H](C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC[N@H+]1C	REAL300006551690	1	47	0.0	-69.83	358.02	6.05	-63.78
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551692	1	51	0.0	-61.23	401.14	8.02	-53.21
CC[C@@H]1[C@@H](C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC[N@@H+]1C	REAL300006551695	0	50	0.0	-66.14	371.88	6.53	-59.61
CC[C@@H]1[C@@H](C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC[N@H+]1C	REAL300006551695	1	50	0.0	-69.27	377.07	6.85	-62.42
CC1C[N@H+](C)CC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])O1	REAL300006551704	1	48	0.0	-51.95	366.67	5.84	-46.11
CC1C[N@@H+](C)CC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])O1	REAL300006551704	1	48	0.0	-52.08	366.63	5.84	-46.24
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C[NH+]1CCCC1	REAL300006551714	0	44	0.0	-59.61	340.65	5.95	-53.66
CC1=[NH+]C=CN1CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551716	1	42	0.0	-60.10	344.60	6.42	-53.68
CC(C[NH+]1CCOCC1)C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551718	0	51	0.0	-66.53	386.49	5.54	-60.99
CC1CC[NH+](CC(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC1	REAL300006551737	0	50	0.0	-59.88	378.15	7.30	-52.58
CC[N@@H+]1CCOC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006551748	1	48	0.0	-66.14	370.37	5.91	-60.23
CC[N@H+]1CCOC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006551748	1	48	0.0	-72.55	370.36	5.91	-66.64
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006551785	0	57	0.0	-65.96	419.85	8.70	-57.26
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006551785	1	57	0.0	-63.32	419.82	8.70	-54.62
C[N@@H+]1CCCC1CCC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551791	0	50	0.0	-66.69	382.57	7.31	-59.38
C[N@H+]1CCCC1CCC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551791	1	50	0.0	-67.61	377.12	6.83	-60.78
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C12CCC[NH+](CCC1)C2	REAL300006551804	0	51	0.0	-70.60	372.57	7.01	-63.59
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551806	1	48	0.0	-60.15	364.44	2.93	-57.22
C[N@H+]1CC(O)CC1(C)C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551806	1	48	0.0	-66.37	362.74	3.13	-63.24
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1CCC2CCCC[N@@H+]21	REAL300006551807	0	51	0.0	-55.20	383.07	7.77	-47.43
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1CCC2CCCC[N@H+]21	REAL300006551807	1	51	0.0	-55.35	382.46	7.71	-47.64
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551814	0	54	0.0	-58.82	395.99	5.89	-52.93
CC[NH+](CC)CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551830	0	46	0.0	-59.25	351.27	6.17	-53.08
CC(C)[NH+]1CCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC1	REAL300006551832	0	53	0.0	-69.89	390.44	7.42	-62.47
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C12CC[NH+](CC1)C2	REAL300006551913	0	45	0.0	-69.14	346.80	5.32	-63.82
CCC(C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])[NH+](C)C	REAL300006551916	0	46	0.0	-55.99	345.91	5.75	-50.24
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300006551924	0	48	0.0	-73.68	357.11	6.03	-67.65
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300006551924	1	48	0.0	-66.61	357.11	6.06	-60.55
CC1CCC(C)[NH+]1CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006551969	0	50	0.0	-56.72	372.32	6.83	-49.89
C[NH+](C)CC1=CC=CC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])=C1	REAL300006551970	0	50	0.0	-77.66	393.32	8.30	-69.36
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C[NH+](C)C1(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CCC1	REAL300006552009	0	47	0.0	-59.17	352.52	6.13	-53.04
C#CC[NH+]1CCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC1	REAL300006552038	0	49	0.0	-72.89	384.44	7.62	-65.27
CCC[N@@H+]1CCCCC1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552040	0	53	0.0	-57.57	387.01	7.63	-49.94
CCC[N@H+]1CCCCC1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552040	1	53	0.0	-58.84	396.47	7.79	-51.05
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552041	0	50	0.0	-53.34	385.81	8.58	-44.76
CC[NH+]1CCN(CCC(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC1	REAL300006552043	0	55	0.0	-73.09	413.29	5.43	-67.66
CCN1CC[NH+](CCC(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC1	REAL300006552043	1	55	0.0	-65.87	413.80	5.47	-60.40
CC(C)[N@H+](C)CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552044	0	46	0.0	-58.30	349.60	6.01	-52.29
CC(C)[N@@H+](C)CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552044	1	46	0.0	-57.55	349.62	6.00	-51.55
CC(C)C(C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])[NH+]1CCCCC1	REAL300006552045	0	56	0.0	-59.10	400.59	8.65	-50.45
C[NH+](C)C(C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])C1=CC=CC=C1	REAL300006552046	1	50	0.0	-55.06	389.82	8.30	-46.76
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006552050	0	55	0.0	-65.08	428.17	6.24	-58.84
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006552050	1	55	0.0	-63.24	428.13	6.24	-57.00
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552055	1	51	0.0	-61.27	400.60	7.97	-53.30
C[NH+](C)CC1=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])OC2=CC=CC=C21	REAL300006552057	0	53	0.0	-65.58	414.43	8.62	-56.96
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006552063	0	54	0.0	-58.11	402.42	8.44	-49.67
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006552063	1	54	0.0	-56.47	388.70	8.06	-48.41
CC[N@H+](CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])C1CC1	REAL300006552065	0	47	0.0	-56.39	363.79	6.84	-49.55
CC[N@@H+](CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])C1CC1	REAL300006552065	1	47	0.0	-57.84	361.23	6.83	-51.01
CC(C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])[NH+]1CCCCCC1	REAL300006552093	0	53	0.0	-59.24	379.68	7.49	-51.75
C[N@@H+]1CCC[C@H]1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552097	0	44	0.0	-59.99	341.09	5.86	-54.13
C[N@H+]1CCC[C@H]1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552097	1	44	0.0	-56.11	335.18	5.35	-50.76
CC(C)(C)[NH2+]CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552180	0	46	0.0	-58.81	354.14	4.53	-54.28
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])O1	REAL300006552182	0	53	0.0	-74.43	415.05	7.98	-66.45
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CCCC[NH+]1CCCC1	REAL300006552183	0	53	0.0	-71.50	406.51	8.13	-63.37
CC1=CC=C(N2CCC(C(=O)NCC3=NN4CCCCC4=C3C(=O)[O-])CC2)[NH+]=C1	REAL300006552185	1	56	0.0	-69.48	429.22	7.88	-61.60
C[N@H+](CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])CC1=CC=CC=C1	REAL300006552186	1	50	0.0	-63.08	391.83	8.40	-54.68
C[N@@H+](CC(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])CC1=CC=CC=C1	REAL300006552186	1	50	0.0	-62.67	391.84	8.40	-54.27
CC(C)[C@@H](C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-])[NH+](C)C	REAL300006552197	0	49	0.0	-56.69	359.40	6.36	-50.33
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006552215	1	45	0.0	-79.12	374.47	6.25	-72.87
C[NH+](C)CC1=CC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])=NO1	REAL300006552243	1	46	0.0	-81.97	373.28	5.78	-76.19
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552247	0	57	0.0	-70.43	439.88	9.78	-60.65
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552247	1	57	0.0	-69.10	437.18	9.85	-59.25
CC(C)[N@@H+]1CCCC1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552260	0	50	0.0	-60.24	368.04	7.10	-53.14
CC(C)[N@H+]1CCCC1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552260	1	50	0.0	-60.15	367.56	7.08	-53.07
C[NH+]1CCC(OCC(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC1	REAL300006552283	0	51	0.0	-76.63	395.14	6.90	-69.73
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006552287	0	54	0.0	-76.15	421.33	8.49	-67.66
CCC[N@@H+]1CCCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006552473	0	53	0.0	-66.58	398.93	7.82	-58.76
CCC[N@H+]1CCCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006552473	1	53	0.0	-66.53	398.93	7.82	-58.71
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552504	0	53	0.0	-57.54	400.09	7.98	-49.56
CC(C)C[N@H+]1CCCC1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006552504	1	53	0.0	-60.15	394.14	7.45	-52.70
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300006552505	1	51	0.0	-60.84	388.98	3.99	-56.85
CC(C)[N@@H+]1CCCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006552730	0	53	0.0	-63.75	394.09	7.60	-56.15
CC(C)[N@H+]1CCCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006552730	1	53	0.0	-63.76	394.08	7.59	-56.17
C[N@@H+]1CC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006552731	0	47	0.0	-64.30	379.13	6.56	-57.74
C[N@H+]1CC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006552731	1	47	0.0	-76.19	371.94	6.54	-69.65
CC1=C(C)[NH+]=C(CCC(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])N1	REAL300006552757	1	48	0.0	-61.55	385.43	6.10	-55.45
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])=C1	REAL300006553241	0	53	0.0	-80.19	415.81	9.13	-71.06
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C=C1	REAL300006553248	0	54	0.0	-81.64	423.11	8.08	-73.56
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006553384	0	47	0.0	-65.80	364.89	6.54	-59.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])CC1	REAL300006553388	0	53	0.0	-57.67	387.46	7.49	-50.18
CC1=[NH+]C=C2C=CC(C(=O)NCC3=NN4CCCCC4=C3C(=O)[O-])=CN21	REAL300006553392	0	45	0.0	-66.36	366.75	8.07	-58.29
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006553453	0	56	0.0	-58.67	410.08	8.71	-49.96
CC(C)C[N@H+]1CCCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006553453	1	56	0.0	-58.69	410.08	8.73	-49.96
CC[N@@H+]1CCCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006553454	0	50	0.0	-60.03	371.17	7.29	-52.74
CC[N@H+]1CCCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006553454	1	50	0.0	-66.26	377.41	7.08	-59.18
C[N@@H+]1CCCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006553459	0	47	0.0	-68.70	359.78	6.43	-62.27
C[N@H+]1CCCC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006553459	1	47	0.0	-58.23	353.49	6.63	-51.60
C[NH+](C)CC1=CC=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])O1	REAL300006553461	1	47	0.0	-78.14	379.76	6.61	-71.53
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006553467	0	56	0.0	-73.94	405.17	7.92	-66.02
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C1	REAL300006553467	1	56	0.0	-73.96	405.17	7.93	-66.03
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006553470	1	49	0.0	-56.51	368.93	8.00	-48.51
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CO[C@@]1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300006555526	0	51	0.0	-65.49	390.37	7.71	-57.78
CO[C@@]1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300006555526	1	51	0.0	-64.35	388.10	7.64	-56.71
CO[C@@]1(CNC(=O)C2CC[NH+](C3CC3)CC2)C[C@@H](C(=O)[O-])C1	REAL300006556450	0	48	0.0	-70.28	366.35	6.49	-63.79
CO[C@@]1(CNC(=O)C2CCC3=C[NH+]=C(C)N3C2)C[C@@H](C(=O)[O-])C1	REAL300006556483	1	46	0.0	-63.82	358.36	6.29	-57.53
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CO[C@@]1(CNC(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C[C@@H](C(=O)[O-])C1	REAL300006556558	1	53	0.0	-73.55	418.97	6.51	-67.04
CO[C@@]1(CNC(=O)C(C)N2CC[NH+](C)CC2)C[C@@H](C(=O)[O-])C1	REAL300006556559	1	49	0.0	-69.60	362.91	3.25	-66.35
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CO[C@@]1(CNC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300006556656	0	57	0.0	-78.29	445.44	10.65	-67.64
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CO[C@@]1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@@H](C(=O)[O-])C1	REAL300006556717	0	39	0.0	-70.71	320.19	7.03	-63.68
CO[C@@]1(CNC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H](C(=O)[O-])C1	REAL300006556747	0	53	0.0	-72.54	374.52	7.06	-65.48
CO[C@@]1(CNC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H](C(=O)[O-])C1	REAL300006556751	0	53	0.0	-70.63	390.92	7.09	-63.54
CO[C@@]1(CNC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H](C(=O)[O-])C1	REAL300006556751	1	53	0.0	-71.27	390.37	7.01	-64.26
CO[C@@]1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300006556774	1	51	0.0	-71.02	401.70	8.30	-62.72
CO[C@@]1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300006556774	1	51	0.0	-70.96	402.68	8.23	-62.73
CO[C@@]1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300006556830	0	47	0.0	-74.90	381.56	6.09	-68.81
CO[C@@]1(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@@H](C(=O)[O-])C1	REAL300006556858	0	54	0.0	-61.50	387.75	7.35	-54.15
CO[C@@]1(CNC(=O)C2CCCC[N@H+]2C2CCCC2)C[C@@H](C(=O)[O-])C1	REAL300006556858	1	54	0.0	-62.17	389.68	7.28	-54.89
CO[C@@]1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@@H](C(=O)[O-])C1	REAL300006556859	0	55	0.0	-74.51	402.58	5.86	-68.65
CO[C@@]1(CNC(=O)CCCN2C=C[NH+]=C2C)C[C@@H](C(=O)[O-])C1	REAL300006556891	1	45	0.0	-67.28	361.88	6.49	-60.79
CO[C@@]1(CNC(=O)CCCC[NH+]2CCOCC2)C[C@@H](C(=O)[O-])C1	REAL300006556892	1	51	0.0	-74.08	390.72	5.01	-69.07
CC[N@H+](CC1=CC=C(C(=O)NC[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300006556894	0	56	0.0	-77.53	409.44	8.44	-69.09
CC[N@@H+](CC1=CC=C(C(=O)NC[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300006556894	1	56	0.0	-74.91	408.97	8.25	-66.66
CO[C@@]1(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])C1	REAL300006556918	0	51	0.0	-72.06	395.66	7.83	-64.23
CO[C@@]1(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])C1	REAL300006556918	1	51	0.0	-72.15	396.42	7.99	-64.16
CO[C@@]1(CNC(=O)C2CC[NH+](C3CCSC3)CC2)C[C@@H](C(=O)[O-])C1	REAL300006556919	0	52	0.0	-79.25	396.06	7.41	-71.84
CO[C@@]1(CNC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C[C@@H](C(=O)[O-])C1	REAL300006556947	1	56	0.0	-68.17	425.60	6.80	-61.37
CO[C@@]1(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H](C(=O)[O-])C1	REAL300006556948	0	55	0.0	-70.69	388.73	5.29	-65.40
CCC(C(=O)NC[C@]1(OC)C[C@@H](C(=O)[O-])C1)[NH+](CC)CC	REAL300006556952	0	49	0.0	-62.32	356.37	5.94	-56.38
CO[C@@]1(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300006556954	0	50	0.0	-66.76	387.44	7.43	-59.33
CO[C@@]1(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300006556954	1	50	0.0	-65.97	385.46	7.58	-58.39
CO[C@@]1(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])C1	REAL300006556965	0	57	0.0	-74.63	435.85	9.49	-65.14
CO[C@@]1(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])C1	REAL300006556965	1	57	0.0	-66.12	427.39	9.79	-56.33
CO[C@@]1(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)C[C@@H](C(=O)[O-])C1	REAL300006556993	0	46	0.0	-74.99	366.41	5.52	-69.47
CCC[NH+](CCC)CCCC(=O)NC[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300006557004	0	55	0.0	-71.45	410.30	7.47	-63.98
CO[C@@]1(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C[C@@H](C(=O)[O-])C1	REAL300006557005	1	55	0.0	-67.72	420.75	5.37	-62.35
CC[N@H+](C)C(C(=O)NC[C@]1(OC)C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300006557006	0	50	0.0	-64.98	384.93	7.63	-57.35
CC[N@@H+](C)C(C(=O)NC[C@]1(OC)C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300006557006	1	50	0.0	-63.31	384.48	7.55	-55.76
CC[NH+](CC)C(C(=O)NC[C@]1(OC)C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300006557011	0	53	0.0	-63.07	390.87	7.72	-55.35
CO[C@@]1(CNC(=O)CN2C=C[NH+]=C2C(C)C)C[C@@H](C(=O)[O-])C1	REAL300006557018	1	45	0.0	-63.68	361.82	6.27	-57.41
CO[C@@]1(CNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C[C@@H](C(=O)[O-])C1	REAL300006557020	1	47	0.0	-71.26	381.97	7.59	-63.67
CO[C@@]1(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300006557034	0	51	0.0	-77.41	395.13	8.18	-69.23
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CO[C@@]1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300006557810	1	42	0.0	-77.16	350.17	5.02	-72.14
CO[C@@]1(CNC(=O)C2=NOC(C[NH+](C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300006557839	1	43	0.0	-78.87	351.25	4.45	-74.42
CO[C@@]1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C[C@@H](C(=O)[O-])C1	REAL300006557844	0	54	0.0	-74.81	415.23	8.65	-66.16
CO[C@@]1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C[C@@H](C(=O)[O-])C1	REAL300006557844	1	54	0.0	-72.26	413.48	8.53	-63.73
CO[C@@]1(CNC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300006557868	0	55	0.0	-76.86	433.02	8.06	-68.80
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CO[C@@]1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@@H](C(=O)[O-])C1	REAL300006557891	0	51	0.0	-73.76	397.46	7.03	-66.73
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CCC[N@@H+]1CCCC(C(=O)NC[C@]2(OC)C[C@@H](C(=O)[O-])C2)C1	REAL300006558075	0	50	0.0	-64.67	369.45	6.74	-57.93
CCC[N@H+]1CCCC(C(=O)NC[C@]2(OC)C[C@@H](C(=O)[O-])C2)C1	REAL300006558075	1	50	0.0	-63.37	369.39	6.73	-56.64
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CO[C@@]1(CNC(=O)C2CCC[N@H+]2CC(C)C)C[C@@H](C(=O)[O-])C1	REAL300006558108	1	50	0.0	-65.96	361.92	6.78	-59.18
CO[C@@]1(CNC(=O)C[NH+]2CCC(CO)CC2)C[C@@H](C(=O)[O-])C1	REAL300006558109	1	48	0.0	-69.75	365.91	2.62	-67.13
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CO[C@@]1(CNC(=O)C2CCC[N@H+](C(C)C)C2)C[C@@H](C(=O)[O-])C1	REAL300006558332	1	50	0.0	-66.90	371.33	6.21	-60.69
CO[C@@]1(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300006558333	0	44	0.0	-78.85	344.38	6.10	-72.75
CO[C@@]1(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300006558333	1	44	0.0	-73.78	344.86	5.74	-68.04
CO[C@@]1(CNC(=O)CCC2=[NH+]C(C)=C(C)N2)C[C@@H](C(=O)[O-])C1	REAL300006558359	1	45	0.0	-65.08	362.20	4.70	-60.38
CO[C@@]1(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300006558838	0	50	0.0	-76.26	392.54	7.83	-68.43
CO[C@@]1(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300006558845	0	51	0.0	-76.63	400.32	6.71	-69.92
CO[C@@]1(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C[C@@H](C(=O)[O-])C1	REAL300006558934	0	57	0.0	-72.76	432.18	9.43	-63.33
CO[C@@]1(CNC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300006558936	1	55	0.0	-80.59	424.20	7.20	-73.39
CO[C@@]1(CNC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300006558936	1	55	0.0	-79.65	424.42	7.11	-72.54
CO[C@@]1(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@@H](C(=O)[O-])C1	REAL300006558981	0	50	0.0	-68.57	363.16	6.25	-62.32
CO[C@@]1(CNC(=O)C2CCC[N@H+](CC(C)C)C2)C[C@@H](C(=O)[O-])C1	REAL300006559048	0	53	0.0	-64.95	387.50	7.45	-57.50
CO[C@@]1(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)C[C@@H](C(=O)[O-])C1	REAL300006559048	1	53	0.0	-68.46	392.27	7.20	-61.26
CO[C@@]1(CNC(=O)C2=CC=C(C[NH+](C)C)O2)C[C@@H](C(=O)[O-])C1	REAL300006559054	1	44	0.0	-74.60	355.61	5.14	-69.46
CO[C@@]1(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)C[C@@H](C(=O)[O-])C1	REAL300006559060	0	53	0.0	-72.18	382.31	6.53	-65.65
CO[C@@]1(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C[C@@H](C(=O)[O-])C1	REAL300006559060	1	53	0.0	-72.92	382.48	6.61	-66.31
CO[C@@]1(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@@H](C(=O)[O-])C1	REAL300006559063	0	46	0.0	-63.59	344.98	6.71	-56.88
CO[C@@]1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@@H](C(=O)[O-])C1	REAL300006559063	1	46	0.0	-65.56	346.42	6.80	-58.76
CC1OC2(CNC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CC1(C(=O)[O-])C2	REAL300006560307	0	55	0.0	-72.67	418.37	9.00	-63.67
CC1OC2(CNC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300006561008	0	52	0.0	-62.98	399.31	8.01	-54.97
CC1OC2(CNC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300006561008	1	52	0.0	-64.17	403.09	8.48	-55.69
CC1OC2(CNC(=O)C3CC[NH+](C4CC4)CC3)CC1(C(=O)[O-])C2	REAL300006561940	0	49	0.0	-67.03	366.68	6.63	-60.40
CC1OC2(CNC(=O)C3CCC[N@@H+]3C3CC3)CC1(C(=O)[O-])C2	REAL300006561970	0	46	0.0	-61.20	358.96	6.39	-54.81
CC1OC2(CNC(=O)C3CCC[N@H+]3C3CC3)CC1(C(=O)[O-])C2	REAL300006561970	1	46	0.0	-61.19	351.69	6.19	-55.00
CC1=[NH+]C=C2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)O4)CN21	REAL300006561976	1	47	0.0	-61.43	367.36	6.64	-54.79
CC1OC2(CNC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300006561977	0	55	0.0	-64.55	411.84	8.39	-56.16
CC1=NC(C[NH+]2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)O4)CC2)=CS1	REAL300006562055	1	54	0.0	-71.35	425.78	6.76	-64.59
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)N1CC[NH+](C)CC1	REAL300006562056	1	50	0.0	-67.59	370.16	3.65	-63.94
CC1OC2(CNC(=O)CCC3=CC=C(OCC[NH+](C)C)C=C3)CC1(C(=O)[O-])C2	REAL300006562142	0	58	0.0	-71.57	451.34	8.51	-63.06
CC1OC2(CNC(=O)C3(C)CC[NH+](CC4=CC=CC=C4)CC3)CC1(C(=O)[O-])C2	REAL300006562155	0	58	0.0	-65.63	435.21	9.53	-56.10
CC1OC2(CNC(=O)C3=CN4C=[NH+]C=C4C=C3)CC1(C(=O)[O-])C2	REAL300006562212	0	40	0.0	-67.77	327.44	7.27	-60.50
CC1OC2(CNC(=O)C3(C[NH+](C)C)CCCCC3)CC1(C(=O)[O-])C2	REAL300006562244	0	54	0.0	-67.44	385.96	7.55	-59.89
CC1OC2(CNC(=O)CC[N@H+](C)C3CCCCC3)CC1(C(=O)[O-])C2	REAL300006562249	0	54	0.0	-67.76	395.69	7.36	-60.40
CC1OC2(CNC(=O)CC[N@@H+](C)C3CCCCC3)CC1(C(=O)[O-])C2	REAL300006562249	1	54	0.0	-67.74	395.69	7.37	-60.37
CC1OC2(CNC(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)CC1(C(=O)[O-])C2	REAL300006562271	1	52	0.0	-67.08	405.63	8.06	-59.02
CC1OC2(CNC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)CC1(C(=O)[O-])C2	REAL300006562271	1	52	0.0	-68.44	410.38	8.58	-59.86
CC1OC2(CNC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CC1(C(=O)[O-])C2	REAL300006562325	0	48	0.0	-70.77	386.51	6.39	-64.38
CC1OC2(CNC(=O)C3CCCC[N@@H+]3C3CCCC3)CC1(C(=O)[O-])C2	REAL300006562350	0	55	0.0	-60.17	396.09	7.59	-52.58
CC1OC2(CNC(=O)C3CCCC[N@H+]3C3CCCC3)CC1(C(=O)[O-])C2	REAL300006562350	1	55	0.0	-61.26	391.85	7.77	-53.49
CC1OC2(CNC(=O)C3CCC([NH+]4CCOCC4)CC3)CC1(C(=O)[O-])C2	REAL300006562351	0	56	0.0	-71.31	408.99	6.04	-65.27
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562382	1	46	0.0	-64.61	368.25	6.68	-57.93
CC1OC2(CNC(=O)CCCC[NH+]3CCOCC3)CC1(C(=O)[O-])C2	REAL300006562383	1	52	0.0	-71.12	395.54	5.37	-65.75
CC[N@H+](CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C=C1)C(C)C	REAL300006562385	0	57	0.0	-70.24	420.41	8.70	-61.54
CC[N@@H+](CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C=C1)C(C)C	REAL300006562385	1	57	0.0	-72.50	415.56	8.62	-63.88
CC1OC2(CNC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300006562413	0	52	0.0	-68.93	403.54	8.31	-60.62
CC1OC2(CNC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300006562413	1	52	0.0	-68.77	400.81	8.16	-60.61
CC1OC2(CNC(=O)C3CC[NH+](C4CCSC4)CC3)CC1(C(=O)[O-])C2	REAL300006562414	0	53	0.0	-75.00	401.06	7.66	-67.34
CC1OC2(CNC(=O)C(C3=CC=CC=C3)N3CC[NH+](C)CC3)CC1(C(=O)[O-])C2	REAL300006562442	1	57	0.0	-67.26	432.64	7.12	-60.14
CC1OC2(CNC(=O)CC3([NH+]4CCOCC4)CCCC3)CC1(C(=O)[O-])C2	REAL300006562443	0	56	0.0	-68.21	396.62	5.71	-62.50
CCC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)[NH+](CC)CC	REAL300006562447	0	50	0.0	-59.77	364.50	6.09	-53.68
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)[N@H+](C)CC1=CC=CC=C1	REAL300006562449	0	51	0.0	-65.48	392.19	7.75	-57.73
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)[N@@H+](C)CC1=CC=CC=C1	REAL300006562449	1	51	0.0	-64.61	392.28	7.78	-56.83
CC1OC2(CNC(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300006562459	0	58	0.0	-70.61	442.62	9.89	-60.72
CC1OC2(CNC(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300006562459	1	58	0.0	-70.97	441.33	9.88	-61.09
CC1OC2(CNC(=O)C3=CC=C(C[NH+](C)C)N=C3)CC1(C(=O)[O-])C2	REAL300006562485	0	47	0.0	-72.28	371.20	5.78	-66.50
CCC[NH+](CCC)CCCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562495	0	56	0.0	-68.61	416.45	7.73	-60.88
CC1OC2(CNC(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)CC1(C(=O)[O-])C2	REAL300006562496	1	56	0.0	-63.52	425.37	5.71	-57.81
CC[N@H+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)C1=CC=CC=C1	REAL300006562497	0	51	0.0	-62.43	384.69	7.71	-54.72
CC[N@@H+](C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)C1=CC=CC=C1	REAL300006562497	1	51	0.0	-63.07	384.80	7.77	-55.30
CC[NH+](CC)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)C1=CC=CC=C1	REAL300006562502	0	54	0.0	-62.16	396.05	8.12	-54.04
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562510	1	46	0.0	-60.90	363.03	6.49	-54.41
CC1OC2(CNC(=O)C(C3=CC=C(Cl)C=C3)[NH+](C)C)CC1(C(=O)[O-])C2	REAL300006562514	1	48	0.0	-66.05	388.66	7.77	-58.28
CC1OC2(CNC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC1(C(=O)[O-])C2	REAL300006562527	0	52	0.0	-73.23	400.24	8.40	-64.83
CC1OC2(CNC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)CC1(C(=O)[O-])C2	REAL300006562534	0	55	0.0	-69.97	416.99	9.10	-60.87
CCN1CCC([NH+]2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)O4)CC2)CC1	REAL300006562540	0	63	0.0	-69.65	451.04	6.59	-63.06
CC1OC2(CNC(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)CC1(C(=O)[O-])C2	REAL300006562560	1	56	0.0	-76.96	425.97	8.33	-68.63
CC1OC2(CNC(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)CC1(C(=O)[O-])C2	REAL300006562560	1	56	0.0	-75.35	433.55	8.36	-66.99
CC1OC2(CNC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300006562574	0	55	0.0	-63.77	410.56	8.88	-54.89
CC1OC2(CNC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300006562574	1	55	0.0	-62.93	406.84	8.83	-54.10
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C=NN1C1=CC=[NH+]C=C1	REAL300006562576	1	46	0.0	-76.28	373.38	5.68	-70.60
CC1OC2(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)CC1(C(=O)[O-])C2	REAL300006562584	0	55	0.0	-73.50	416.98	9.11	-64.39
CC1OC2(CNC(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC1(C(=O)[O-])C2	REAL300006562597	1	48	0.0	-74.99	382.61	5.91	-69.08
CC1OC2(CNC(=O)C3=CC=C(CC[NH+](C)C)C=C3)CC1(C(=O)[O-])C2	REAL300006562598	0	51	0.0	-75.79	397.92	8.10	-67.69
CNC1=[NH+]C(C)=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562610	1	44	0.0	-59.59	348.52	4.90	-54.69
CC1OC2(CNC(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)CC1(C(=O)[O-])C2	REAL300006562611	1	53	0.0	-69.62	407.07	7.73	-61.89
CC1OC2(CNC(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)CC1(C(=O)[O-])C2	REAL300006562611	1	53	0.0	-70.56	406.23	7.69	-62.87
CC1OC2(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1(C(=O)[O-])C2	REAL300006562673	0	50	0.0	-65.77	369.73	6.40	-59.37
CC1OC2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1(C(=O)[O-])C2	REAL300006562673	1	50	0.0	-64.55	366.90	6.26	-58.29
CC1OC2(CNC(=O)C[N@H+](C)CCC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300006562675	0	51	0.0	-69.14	396.41	8.20	-60.94
CC1OC2(CNC(=O)C[N@@H+](C)CCC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300006562675	1	51	0.0	-69.27	396.41	8.21	-61.06
COCCOCC[N@H+](C)CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562676	0	55	0.0	-68.01	425.44	4.38	-63.63
COCCOCC[N@@H+](C)CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562676	1	55	0.0	-69.01	425.46	4.39	-64.62
CC1OC2(CNC(=O)CC3(O)CCC[N@H+](C)C3)CC1(C(=O)[O-])C2	REAL300006562680	0	49	0.0	-67.57	356.95	4.09	-63.48
CC1OC2(CNC(=O)CC3(O)CCC[N@@H+](C)C3)CC1(C(=O)[O-])C2	REAL300006562680	1	49	0.0	-66.04	365.14	4.26	-61.78
CCCCCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562700	0	53	0.0	-66.35	401.00	7.53	-58.82
CCCCCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562700	1	53	0.0	-66.30	401.00	7.52	-58.78
CC1OC2(CNC(=O)C34CCC[NH+]3CCC4)CC1(C(=O)[O-])C2	REAL300006562710	0	46	0.0	-64.12	346.06	5.88	-58.24
CC1OC2(CNC(=O)C3=CC4=C[NH+]=CN4C=C3)CC1(C(=O)[O-])C2	REAL300006562718	1	40	0.0	-71.15	327.71	7.28	-63.87
CC1OC2(CNC(=O)C[N@H+](C)C3CCSC3)CC1(C(=O)[O-])C2	REAL300006562735	0	46	0.0	-71.17	357.71	6.02	-65.15
CC1OC2(CNC(=O)C[N@@H+](C)C3CCSC3)CC1(C(=O)[O-])C2	REAL300006562735	1	46	0.0	-69.89	356.48	6.01	-63.88
CC(C)[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)CC1	REAL300006562750	0	56	0.0	-66.93	407.51	4.56	-62.37
CC(C)N1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)CC1	REAL300006562750	1	56	0.0	-67.71	409.13	4.74	-62.97
CC(C)[NH+]1CCN(CCCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)CC1	REAL300006562751	0	59	0.0	-65.85	434.12	5.75	-60.10
CC(C)N1CC[NH+](CCCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)CC1	REAL300006562751	1	59	0.0	-68.60	430.44	5.53	-63.07
CC1OC2(CNC(=O)C3CCCC4CCC[N@@H+]43)CC1(C(=O)[O-])C2	REAL300006562752	0	49	0.0	-62.83	358.13	6.45	-56.38
CC1OC2(CNC(=O)C3CCCC4CCC[N@H+]43)CC1(C(=O)[O-])C2	REAL300006562752	1	49	0.0	-62.20	354.21	6.40	-55.80
CC1OC2(CNC(=O)C3=CN(CC[NH+](C)C)N=C3)CC1(C(=O)[O-])C2	REAL300006562754	0	48	0.0	-75.49	381.59	5.25	-70.24
CC1OC2(CNC(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)CC1(C(=O)[O-])C2	REAL300006562763	0	57	0.0	-72.21	429.57	7.07	-65.14
CC1OC2(CNC(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)CC1(C(=O)[O-])C2	REAL300006562766	0	54	0.0	-71.65	414.45	7.22	-64.43
CC1OC2(CNC(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)CC1(C(=O)[O-])C2	REAL300006562766	1	54	0.0	-71.59	415.18	7.16	-64.43
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006562771	1	52	0.0	-66.03	394.23	8.39	-57.64
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)[N@H+]1CCC2=CC=CC=C2C1	REAL300006562771	1	52	0.0	-65.12	396.00	8.20	-56.92
CC1OC2(CNC(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300006562795	0	55	0.0	-72.24	424.10	9.03	-63.21
CC1OC2(CNC(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300006562795	1	55	0.0	-72.25	424.45	9.07	-63.18
CC1OC2(CNC(=O)C3=NN(CC[NH+](C)C)C=C3)CC1(C(=O)[O-])C2	REAL300006562810	0	48	0.0	-76.46	381.96	5.27	-71.19
CC1OC2(CNC(=O)C3=CC=NN3CC[NH+](C)C)CC1(C(=O)[O-])C2	REAL300006562811	0	48	0.0	-64.96	378.98	5.29	-59.67
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562817	1	49	0.0	-61.03	383.23	6.97	-54.06
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)CC[N@@H+]1C	REAL300006562820	0	48	0.0	-68.39	358.23	5.61	-62.78
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)CC[N@H+]1C	REAL300006562820	1	48	0.0	-64.70	358.31	5.98	-58.72
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562824	1	44	0.0	-63.04	346.56	5.63	-57.41
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562824	1	44	0.0	-63.22	351.57	6.12	-57.10
CC1OC2(CNC(=O)C3C[N@H+](C)CC(C)O3)CC1(C(=O)[O-])C2	REAL300006562832	1	46	0.0	-73.90	355.84	4.96	-68.94
CC1OC2(CNC(=O)C3C[N@@H+](C)CC(C)O3)CC1(C(=O)[O-])C2	REAL300006562832	1	46	0.0	-68.16	352.91	4.92	-63.24
CC1OC2(CNC(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)CC1(C(=O)[O-])C2	REAL300006562838	0	55	0.0	-71.15	425.24	9.08	-62.07
CC1OC2(CNC(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)CC1(C(=O)[O-])C2	REAL300006562838	1	55	0.0	-67.59	420.45	9.28	-58.31
CC(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006562844	0	49	0.0	-67.92	368.59	4.50	-63.42
CC1OC2(CNC(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)CC1(C(=O)[O-])C2	REAL300006562845	0	56	0.0	-71.92	427.30	6.49	-65.43
CC1OC2(CNC(=O)C[NH+]3CCC(C)CC3)CC1(C(=O)[O-])C2	REAL300006562855	0	48	0.0	-65.14	360.23	6.26	-58.88
CC[N@@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C1	REAL300006562870	1	46	0.0	-72.19	355.14	4.95	-67.24
CC[N@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C1	REAL300006562870	1	46	0.0	-66.70	347.25	4.78	-61.92
CC1OC2(CNC(=O)C3CC[NH+](CC4=NC=CN4C)CC3)CC1(C(=O)[O-])C2	REAL300006562909	1	55	0.0	-76.15	414.83	7.21	-68.94
CC1OC2(CNC(=O)C3CC[N@@H+](C4CCCCC4)C3)CC1(C(=O)[O-])C2	REAL300006562910	0	55	0.0	-66.36	403.98	7.68	-58.68
CC1OC2(CNC(=O)C3CC[N@H+](C4CCCCC4)C3)CC1(C(=O)[O-])C2	REAL300006562910	1	55	0.0	-65.85	404.38	7.78	-58.07
CC1OC2(CNC(=O)CCC3CCC[N@@H+]3C)CC1(C(=O)[O-])C2	REAL300006562917	0	48	0.0	-66.94	360.35	5.84	-61.10
CC1OC2(CNC(=O)CCC3CCC[N@H+]3C)CC1(C(=O)[O-])C2	REAL300006562917	1	48	0.0	-68.49	363.66	6.20	-62.29
CC1OC2(CNC(=O)C34CCC[NH+](CCC3)C4)CC1(C(=O)[O-])C2	REAL300006562930	0	49	0.0	-68.75	358.87	6.08	-62.67
CC1OC2(CNC(=O)C3(C)CC(O)C[N@@H+]3C)CC1(C(=O)[O-])C2	REAL300006562934	1	46	0.0	-68.43	345.67	1.90	-66.53
CC1OC2(CNC(=O)C3(C)CC(O)C[N@H+]3C)CC1(C(=O)[O-])C2	REAL300006562934	1	46	0.0	-68.39	344.83	2.51	-65.88
CC1OC2(CNC(=O)C3CCC4CCCC[N@@H+]43)CC1(C(=O)[O-])C2	REAL300006562935	0	49	0.0	-59.76	365.43	6.76	-53.00
CC1OC2(CNC(=O)C3CCC4CCCC[N@H+]43)CC1(C(=O)[O-])C2	REAL300006562935	1	49	0.0	-60.16	367.61	6.72	-53.44
CC1OC2(CNC(=O)C(C)(C)C[NH+]3CCOCC3)CC1(C(=O)[O-])C2	REAL300006562943	0	52	0.0	-64.66	378.06	4.84	-59.82
CC1OC2(CNC(=O)C3CC[N@H+](C)CC3C3=CN(C)N=C3)CC1(C(=O)[O-])C2	REAL300006562948	0	55	0.0	-76.82	414.21	6.18	-70.64
CC1OC2(CNC(=O)C3CC[N@@H+](C)CC3C3=CN(C)N=C3)CC1(C(=O)[O-])C2	REAL300006562948	1	55	0.0	-77.15	415.63	6.20	-70.95
CC1OC2(CNC(=O)C3=CC=CC(CN4CC[NH+](C)CC4)=C3)CC1(C(=O)[O-])C2	REAL300006562953	0	57	0.0	-68.51	434.11	6.67	-61.84
CC1OC2(CNC(=O)C3=CC=C(CN4CC[NH+](C)CC4)C=C3)CC1(C(=O)[O-])C2	REAL300006562954	0	57	0.0	-71.33	433.17	6.50	-64.83
CC1OC2(CNC(=O)C3=CC=C(C[NH+]4CCN(C)CC4)C=C3)CC1(C(=O)[O-])C2	REAL300006562954	1	57	0.0	-74.34	433.51	6.56	-67.78
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C=C1	REAL300006562955	0	58	0.0	-71.51	440.42	8.38	-63.13
CC(C)[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)CC1	REAL300006562963	0	51	0.0	-66.74	372.54	6.39	-60.35
CC1OC2(CNC(=O)C34CC[N@H+](C3)CCC4)CC1(C(=O)[O-])C2	REAL300006563050	0	46	0.0	-68.35	340.33	5.00	-63.35
CC1OC2(CNC(=O)C34CC[N@@H+](C3)CCC4)CC1(C(=O)[O-])C2	REAL300006563050	1	46	0.0	-68.25	341.20	5.07	-63.18
CC1CCC(C)[NH+]1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006563103	0	48	0.0	-61.46	355.13	5.83	-55.63
CC1OC2(CNC(=O)C3=CC=CC(C[NH+](C)C)=C3)CC1(C(=O)[O-])C2	REAL300006563104	0	48	0.0	-71.26	375.43	7.26	-64.00
CC1OC2(CNC(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300006563105	0	55	0.0	-67.83	420.35	9.01	-58.82
CC1OC2(CNC(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300006563105	1	55	0.0	-65.47	416.30	9.26	-56.21
C#CC[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)CC1	REAL300006563175	0	47	0.0	-70.88	367.04	6.63	-64.25
CCC[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006563177	0	51	0.0	-62.16	369.11	6.60	-55.56
CCC[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006563177	1	51	0.0	-61.49	381.39	6.83	-54.66
CC1OC2(CNC(=O)C3=CC=CC=C3C[NH+](C)C)CC1(C(=O)[O-])C2	REAL300006563178	0	48	0.0	-59.04	369.80	7.59	-51.45
CC[NH+]1CCN(CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)CC1	REAL300006563180	0	53	0.0	-68.23	394.72	4.27	-63.96
CCN1CC[NH+](CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)CC1	REAL300006563180	1	53	0.0	-67.80	395.38	4.39	-63.41
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)[NH+]1CCCCC1	REAL300006563182	0	54	0.0	-60.99	388.56	7.81	-53.18
CC1OC2(CNC(=O)C(C3=CC=CC=C3)[NH+](C)C)CC1(C(=O)[O-])C2	REAL300006563183	1	48	0.0	-62.84	371.99	7.26	-55.58
CC1OC2(CNC(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300006563187	0	53	0.0	-66.48	410.46	5.21	-61.27
CC1OC2(CNC(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300006563187	1	53	0.0	-66.84	412.97	5.27	-61.57
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006563193	1	49	0.0	-60.77	382.68	6.92	-53.85
CC1OC2(CNC(=O)C3=C(C[NH+](C)C)C4=CC=CC=C4O3)CC1(C(=O)[O-])C2	REAL300006563194	0	51	0.0	-64.47	402.60	7.61	-56.86
CC1OC2(CNC(=O)C3CCC[N@@H+]3C3CCCC3)CC1(C(=O)[O-])C2	REAL300006563200	0	52	0.0	-61.83	380.37	7.32	-54.51
CC1OC2(CNC(=O)C3CCC[N@H+]3C3CCCC3)CC1(C(=O)[O-])C2	REAL300006563200	1	52	0.0	-62.05	383.64	7.21	-54.84
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2)[NH+]1CCCCCC1	REAL300006563231	0	51	0.0	-61.69	364.10	6.44	-55.25
CC1OC2(CNC(=O)C3=CC=C4NC5=C(C[N@H+](C)CC5)C4=C3)CC1(C(=O)[O-])C2	REAL300006563269	1	53	0.0	-76.65	414.26	7.81	-68.84
CC1OC2(CNC(=O)C3=CC=C4NC5=C(C[N@@H+](C)CC5)C4=C3)CC1(C(=O)[O-])C2	REAL300006563269	1	53	0.0	-76.17	412.27	7.77	-68.40
CC[NH+](CC)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)O1	REAL300006563324	0	51	0.0	-70.87	395.07	6.72	-64.15
CC1OC2(CNC(=O)CCCC[NH+]3CCCC3)CC1(C(=O)[O-])C2	REAL300006563325	0	51	0.0	-68.00	388.60	7.08	-60.92
CC1=CC=C(N2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)O4)CC2)[NH+]=C1	REAL300006563327	1	54	0.0	-64.84	411.31	6.84	-58.00
CC1OC2(CNC(=O)C[N@H+](C)CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300006563328	1	48	0.0	-68.90	373.98	7.36	-61.54
CC1OC2(CNC(=O)C[N@@H+](C)CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300006563328	1	48	0.0	-68.96	373.93	7.36	-61.60
CC1OC2(CNC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC1(C(=O)[O-])C2	REAL300006563350	1	43	0.0	-74.80	356.58	5.21	-69.59
CC1OC2(CNC(=O)C3=NOC(C[NH+](C)C)=C3)CC1(C(=O)[O-])C2	REAL300006563381	1	44	0.0	-76.39	357.30	4.79	-71.60
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006563385	0	55	0.0	-72.94	423.31	8.95	-63.99
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006563385	1	55	0.0	-69.11	419.05	8.83	-60.28
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006563402	0	48	0.0	-60.11	355.49	5.88	-54.23
CC(C)[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006563402	1	48	0.0	-61.33	357.31	5.91	-55.42
CC1OC2(CNC(=O)C=CC3=CC=C(OCC[NH+](C)C)C=C3)CC1(C(=O)[O-])C2	REAL300006563409	0	56	0.0	-73.51	439.76	8.24	-65.27
CC1OC2(CNC(=O)COC3CC[NH+](C)CC3)CC1(C(=O)[O-])C2	REAL300006563429	0	49	0.0	-73.76	379.90	5.94	-67.82
CC1OC2(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)CC1(C(=O)[O-])C2	REAL300006563434	0	52	0.0	-71.31	404.30	7.41	-63.90
CC1OC2(CNC(=O)[C@H]3C[N@@H+](C(C)(C)C)C[C@@H]3C(F)(F)F)CC1(C(=O)[O-])C2	REAL300006563479	0	54	0.0	-69.62	413.95	7.06	-62.56
CC1OC2(CNC(=O)[C@H]3C[N@H+](C(C)(C)C)C[C@@H]3C(F)(F)F)CC1(C(=O)[O-])C2	REAL300006563479	1	54	0.0	-64.27	410.13	7.01	-57.26
CCC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C1	REAL300006563632	0	51	0.0	-61.62	376.69	7.05	-54.57
CCC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C1	REAL300006563632	1	51	0.0	-61.49	378.95	7.10	-54.39
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006563665	0	51	0.0	-62.67	383.86	7.06	-55.61
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006563665	1	51	0.0	-63.44	374.05	7.12	-56.32
CC1OC2(CNC(=O)C[NH+]3CCC(CO)CC3)CC1(C(=O)[O-])C2	REAL300006563666	1	49	0.0	-66.53	371.07	2.95	-63.58
CC1OC2(CNC(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)CC1(C(=O)[O-])C2	REAL300006563768	0	56	0.0	-71.37	429.00	9.30	-62.07
CC1OC2(CNC(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)CC1(C(=O)[O-])C2	REAL300006563768	1	56	0.0	-70.57	429.34	9.26	-61.31
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C1	REAL300006563904	0	51	0.0	-64.71	378.09	6.62	-58.09
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C1	REAL300006563904	1	51	0.0	-64.80	378.11	6.62	-58.18
CC1OC2(CNC(=O)C3C[N@H+](C)CC3C(F)(F)F)CC1(C(=O)[O-])C2	REAL300006563905	0	45	0.0	-73.86	349.63	6.42	-67.44
CC1OC2(CNC(=O)C3C[N@@H+](C)CC3C(F)(F)F)CC1(C(=O)[O-])C2	REAL300006563905	1	45	0.0	-74.22	362.53	5.58	-68.64
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)N1	REAL300006563929	1	46	0.0	-61.61	367.51	5.05	-56.56
CC1OC2(CNC(=O)C3=CC=CC(CC[NH+](C)C)=C3)CC1(C(=O)[O-])C2	REAL300006564429	0	51	0.0	-72.58	397.92	8.08	-64.50
CC1OC2(CNC(=O)C3=CC=C(OCC[NH+](C)C)C=C3)CC1(C(=O)[O-])C2	REAL300006564437	0	52	0.0	-73.16	405.22	7.05	-66.11
CC1OC2(CNC(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)CC1(C(=O)[O-])C2	REAL300006564539	0	58	0.0	-69.56	436.98	9.70	-59.86
CC1OC2(CNC(=O)C3=CC=C(CN4CCOC(C)C4)C=C3)CC1(C(=O)[O-])C2	REAL300006564541	0	56	0.0	-75.74	422.79	7.42	-68.32
CC1OC2(CNC(=O)C3=CC=C(C[N@@H+]4CCOC(C)C4)C=C3)CC1(C(=O)[O-])C2	REAL300006564541	1	56	0.0	-76.85	424.78	7.48	-69.37
CC1OC2(CNC(=O)C3=CC=C(C[N@H+]4CCOC(C)C4)C=C3)CC1(C(=O)[O-])C2	REAL300006564541	1	56	0.0	-76.85	424.78	7.48	-69.37
CC1OC2(CNC(=O)[C@H]3CC[C@@H]([NH+](C)C)CC3)CC1(C(=O)[O-])C2	REAL300006564588	0	51	0.0	-62.64	369.45	6.43	-56.21
CC1=[NH+]C=C2C=CC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)O4)=CN21	REAL300006564592	0	43	0.0	-63.62	348.86	7.04	-56.58
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C1	REAL300006564655	0	54	0.0	-65.35	398.85	7.52	-57.83
CC(C)C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C1	REAL300006564655	1	54	0.0	-65.96	400.35	7.55	-58.41
CC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C1	REAL300006564656	0	48	0.0	-60.35	353.66	6.30	-54.05
CC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C1	REAL300006564656	1	48	0.0	-65.23	359.51	6.05	-59.18
CC1OC2(CNC(=O)C3=CC=C(C[NH+](C)C)O3)CC1(C(=O)[O-])C2	REAL300006564662	1	45	0.0	-72.89	363.78	5.64	-67.25
CC1OC2(CNC(=O)C(C)(C)C3CCC[N@H+](C)C3)CC1(C(=O)[O-])C2	REAL300006564668	0	54	0.0	-71.21	381.57	6.51	-64.70
CC1OC2(CNC(=O)C(C)(C)C3CCC[N@@H+](C)C3)CC1(C(=O)[O-])C2	REAL300006564668	1	54	0.0	-70.12	388.86	6.99	-63.13
CC1OC2(CNC(=O)C34CC(C3)C[N@H+]4C3CC3)CC1(C(=O)[O-])C2	REAL300006564671	1	47	0.0	-62.62	354.84	7.19	-55.43
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(O)C1CCCCC1	REAL300006564744	1	53	0.0	-49.89	384.28	6.51	-43.38
CN1N=C(C2=CC=CC=C2)C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006564934	1	50	0.0	-54.24	396.78	8.53	-45.71
CC(C)N(CC1=CC=C(F)C=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006565092	0	49	0.0	-48.12	371.06	10.67	-37.45
CC(C)N(CC1=CC=C(F)C=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006565092	1	49	0.0	-44.70	362.35	10.25	-34.45
CC(C)CN(CC1=CC=C(F)C=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006565201	0	52	0.0	-46.58	396.03	11.76	-34.82
CC(C)CN(CC1=CC=C(F)C=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006565201	1	52	0.0	-43.72	390.97	11.63	-32.09
CCCCN(CC1=CC=C(F)C=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006565316	0	52	0.0	-48.11	405.03	12.08	-36.03
CCCCN(CC1=CC=C(F)C=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006565316	1	52	0.0	-44.82	398.50	11.91	-32.91
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006566679	0	47	0.0	-98.64	371.94	9.48	-89.16
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300006567461	1	44	0.0	-86.58	356.05	8.95	-77.63
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006567461	1	44	0.0	-85.67	354.73	8.91	-76.76
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C(=O)[O-])=NN3C)CN21	REAL300006568327	1	39	0.0	-81.40	318.48	6.98	-74.42
CN1N=C(C(=O)[O-])C=C1NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006568328	0	47	0.0	-84.14	374.41	9.39	-74.75
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC(C(=O)[O-])=NN3C)CC2)=CS1	REAL300006568393	1	46	0.0	-91.92	378.96	7.50	-84.42
CN1N=C(C(=O)[O-])C=C1NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300006568466	0	50	0.0	-92.41	404.91	9.01	-83.40
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300006568480	0	50	0.0	-93.49	405.63	11.34	-82.15
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300006568480	1	50	0.0	-92.43	405.62	11.35	-81.08
CN1N=C(C(=O)[O-])C=C1NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006568481	0	50	0.0	-85.56	384.58	9.88	-75.68
CN1N=C(C(=O)[O-])C=C1NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006568523	0	47	0.0	-81.23	386.41	9.60	-71.63
CN1N=C(C(=O)[O-])C=C1NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006568523	1	47	0.0	-81.41	386.36	9.58	-71.83
CN1N=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300006568560	0	46	0.0	-89.59	335.35	7.82	-81.77
CN1N=C(C(=O)[O-])C=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300006568563	0	46	0.0	-90.72	349.26	7.84	-82.88
CN1N=C(C(=O)[O-])C=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300006568563	1	46	0.0	-90.74	349.25	7.86	-82.88
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006568643	0	40	0.0	-96.04	340.05	6.89	-89.15
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300006568648	0	50	0.0	-93.23	408.24	9.08	-84.15
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006568674	0	47	0.0	-80.15	347.80	8.03	-72.12
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300006568674	1	47	0.0	-80.14	348.39	8.07	-72.07
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006568675	0	48	0.0	-95.73	362.56	6.52	-89.21
CN1N=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300006568703	1	44	0.0	-92.58	349.11	5.86	-86.72
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C=C1)C(C)C	REAL300006568704	0	49	0.0	-96.72	369.47	9.01	-87.71
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C=C1)C(C)C	REAL300006568704	1	49	0.0	-94.14	368.32	8.94	-85.20
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006568727	0	44	0.0	-89.13	354.00	8.65	-80.48
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006568727	1	44	0.0	-89.21	355.66	8.71	-80.50
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006568728	0	45	0.0	-99.18	354.63	8.13	-91.05
CN1N=C(C(=O)[O-])C=C1NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300006568750	1	49	0.0	-82.84	384.26	7.54	-75.30
CN1N=C(C(=O)[O-])C=C1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006568751	0	48	0.0	-92.00	348.23	6.14	-85.86
CC(C(=O)NC1=CC(C(=O)[O-])=NN1C)[N@H+](C)CC1=CC=CC=C1	REAL300006568754	0	43	0.0	-88.15	345.84	8.23	-79.92
CC(C(=O)NC1=CC(C(=O)[O-])=NN1C)[N@@H+](C)CC1=CC=CC=C1	REAL300006568754	1	43	0.0	-88.13	345.80	8.23	-79.90
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006568764	0	50	0.0	-82.05	388.24	10.50	-71.55
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006568764	1	50	0.0	-82.05	388.23	10.51	-71.54
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300006568795	0	39	0.0	-93.42	324.77	5.89	-87.53
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=NN1C	REAL300006568806	0	48	0.0	-89.17	368.93	8.18	-80.99
CC[N@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=NN1C)C1=CC=CC=C1	REAL300006568808	1	43	0.0	-81.39	343.35	8.39	-73.00
CC[N@@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=NN1C)C1=CC=CC=C1	REAL300006568808	1	43	0.0	-81.00	344.26	8.37	-72.63
CC[NH+](CC)C(C(=O)NC1=CC(C(=O)[O-])=NN1C)C1=CC=CC=C1	REAL300006568813	0	46	0.0	-84.13	352.51	8.53	-75.60
CN1N=C(C(=O)[O-])C=C1NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300006568819	1	40	0.0	-86.30	342.30	8.27	-78.03
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006568833	0	44	0.0	-97.24	353.78	8.91	-88.33
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006568840	0	47	0.0	-88.27	370.53	9.60	-78.67
CCN1CCC([NH+]2CCC(C(=O)NC3=CC(C(=O)[O-])=NN3C)CC2)CC1	REAL300006568846	0	55	0.0	-92.67	400.66	6.84	-85.83
CC1C[NH+](CC2=CC=C(C(=O)NC3=CC(C(=O)[O-])=NN3C)C=C2)CC(C)O1	REAL300006568853	1	51	0.0	-100.81	403.81	8.64	-92.17
CN1N=C(C(=O)[O-])C=C1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006568862	1	48	0.0	-101.40	378.40	8.66	-92.74
CN1N=C(C(=O)[O-])C=C1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006568862	1	48	0.0	-101.37	378.46	8.66	-92.71
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300006568877	1	47	0.0	-84.26	369.48	9.39	-74.87
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300006568877	1	47	0.0	-84.44	369.48	9.39	-75.05
CC1=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C=NN1C1=CC=[NH+]C=C1	REAL300006568879	1	38	0.0	-93.36	324.98	6.11	-87.25
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006568887	0	47	0.0	-97.54	370.52	9.61	-87.93
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006568898	1	40	0.0	-90.25	335.32	6.44	-83.81
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300006568899	0	43	0.0	-98.94	351.46	8.59	-90.35
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1C	REAL300006568913	0	54	0.0	-76.24	415.02	10.97	-65.27
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1C	REAL300006568913	1	54	0.0	-73.35	407.82	10.69	-62.66
CC(C(=O)NC1=CC(C(=O)[O-])=NN1C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006568922	1	53	0.0	-87.10	409.10	10.72	-76.38
CN1N=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300006568956	0	43	0.0	-90.31	349.98	8.70	-81.61
CN1N=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300006568956	1	43	0.0	-90.32	349.98	8.70	-81.62
COCCOCC[N@H+](C)CCC(=O)NC1=CC(C(=O)[O-])=NN1C	REAL300006568957	0	47	0.0	-89.53	378.97	4.88	-84.65
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(C(=O)[O-])=NN1C	REAL300006568957	1	47	0.0	-90.97	379.02	4.88	-86.09
CN1N=C(C(=O)[O-])C=C1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006568967	0	52	0.0	-94.28	405.14	8.40	-85.88
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(C(=O)[O-])=NN2C)CC1	REAL300006569003	0	48	0.0	-89.30	361.08	5.05	-84.25
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC(C(=O)[O-])=NN2C)CC1	REAL300006569004	0	51	0.0	-85.51	387.69	6.24	-79.27
CC(C)N1CC[NH+](CCCC(=O)NC2=CC(C(=O)[O-])=NN2C)CC1	REAL300006569004	1	51	0.0	-90.03	384.01	6.02	-84.01
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300006569006	0	40	0.0	-94.36	335.13	5.74	-88.62
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CC(C(=O)[O-])=NN3C)CC2)=C1	REAL300006569011	0	52	0.0	-94.49	404.54	8.22	-86.27
CN1N=C(C(=O)[O-])C=C1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006569013	0	49	0.0	-94.74	383.14	7.56	-87.18
CN1N=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006569017	0	46	0.0	-91.02	360.65	7.88	-83.14
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C[N@@H+]1CCCC[C@H]1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006581474	0	47	0.0	-73.46	357.36	7.28	-66.18
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CC(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300006581857	0	53	0.0	-77.56	410.29	9.67	-67.89
CC(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006581857	1	53	0.0	-77.76	410.14	9.66	-68.10
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CC[N@@H+](C)C(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)C1=CC=CC=C1	REAL300006581897	1	53	0.0	-72.94	408.77	9.80	-63.14
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CC[C@@H](C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[NH+](C)C	REAL300006582074	0	46	0.0	-74.04	346.01	6.68	-67.36
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C[N@@H+](CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)C1CCSC1	REAL300006582131	1	48	0.0	-82.68	374.70	7.90	-74.78
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CC(C)N1CC[NH+](CCC(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC1	REAL300006582148	1	58	0.0	-78.41	427.03	6.65	-71.76
CC(C)[NH+]1CCN(CCCC(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC1	REAL300006582149	0	61	0.0	-74.45	452.21	7.66	-66.79
CC(C)N1CC[NH+](CCCC(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC1	REAL300006582149	1	61	0.0	-77.85	448.70	7.46	-70.39
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C[NH+](C)CCN1C=C(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C=N1	REAL300006582152	0	50	0.0	-83.60	399.68	7.18	-76.42
O=C([O-])C1=CN=C2CC(CNC(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)CCN12	REAL300006582163	0	56	0.0	-81.32	431.45	9.10	-72.22
O=C([O-])C1=CN=C2CC(CNC(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)CCN12	REAL300006582163	1	56	0.0	-81.12	431.35	9.01	-72.11
CC(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006582168	1	54	0.0	-77.27	413.88	10.04	-67.23
CC(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006582168	1	54	0.0	-77.18	410.39	10.24	-66.94
CCCC(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[NH+](C)C	REAL300006582187	0	49	0.0	-75.10	367.27	7.46	-67.64
O=C([O-])C1=CN=C2CC(CNC(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)CCN12	REAL300006582188	0	57	0.0	-80.98	440.52	10.89	-70.09
O=C([O-])C1=CN=C2CC(CNC(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)CCN12	REAL300006582188	1	57	0.0	-81.10	440.96	10.89	-70.21
C[NH+](C)CCN1C=CC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)=N1	REAL300006582203	0	50	0.0	-84.20	400.07	7.18	-77.02
C[NH+](C)CCN1N=CC=C1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582204	0	50	0.0	-75.07	394.74	7.12	-67.95
C[C@@H]1[C@H](C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC[N@@H+]1C	REAL300006582207	0	47	0.0	-77.42	352.89	6.88	-70.54
C[C@@H]1[C@H](C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC[N@H+]1C	REAL300006582207	1	47	0.0	-76.53	357.41	7.19	-69.34
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582209	1	51	0.0	-71.23	401.30	8.89	-62.34
CC[C@@H]1[C@@H](C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC[N@@H+]1C	REAL300006582212	0	50	0.0	-77.09	372.35	7.38	-69.71
CC[C@@H]1[C@@H](C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC[N@H+]1C	REAL300006582212	1	50	0.0	-76.67	377.56	7.70	-68.97
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582215	1	46	0.0	-74.24	361.98	7.45	-66.79
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CC1C[N@H+](C)CC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)O1	REAL300006582221	1	48	0.0	-85.36	373.93	6.86	-78.50
CC1C[N@@H+](C)CC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)O1	REAL300006582221	1	48	0.0	-85.39	373.96	6.86	-78.53
O=C([O-])C1=CN=C2CC(CNC(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)CCN12	REAL300006582228	1	53	0.0	-72.41	416.27	8.74	-63.67
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O=C([O-])C1=CN=C2CC(CNC(=O)C[NH+]3CCCC3)CCN12	REAL300006582231	0	44	0.0	-75.87	340.39	6.82	-69.05
CC1=[NH+]C=CN1CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582233	1	42	0.0	-73.59	344.76	7.29	-66.30
CC(C[NH+]1CCOCC1)C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582235	0	51	0.0	-78.38	386.67	6.41	-71.97
CC1CC[NH+](CC(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC1	REAL300006582254	0	50	0.0	-77.05	378.32	8.17	-68.88
CC[N@@H+]1CCOC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006582265	1	48	0.0	-83.48	370.57	6.78	-76.70
CC[N@H+]1CCOC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006582265	1	48	0.0	-83.48	370.54	6.78	-76.70
O=C([O-])C1=CN=C2CC(CNC(=O)C3CC[N@@H+](C4CCCCC4)C3)CCN12	REAL300006582302	0	57	0.0	-76.39	421.39	9.60	-66.79
O=C([O-])C1=CN=C2CC(CNC(=O)C3CC[N@H+](C4CCCCC4)C3)CCN12	REAL300006582302	1	57	0.0	-76.21	420.09	9.56	-66.65
C[N@@H+]1CCCC1CCC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582308	0	50	0.0	-78.04	382.77	8.18	-69.86
C[N@H+]1CCCC1CCC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582308	1	50	0.0	-75.81	377.32	7.71	-68.10
O=C([O-])C1=CN=C2CC(CNC(=O)C34CCC[NH+](CCC3)C4)CCN12	REAL300006582321	0	51	0.0	-76.68	372.75	7.88	-68.80
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582323	0	48	0.0	-78.51	364.67	3.82	-74.69
C[N@H+]1CC(O)CC1(C)C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582323	1	48	0.0	-80.75	363.58	3.77	-76.98
O=C([O-])C1=CN=C2CC(CNC(=O)C3CCC4CCCC[N@@H+]43)CCN12	REAL300006582324	0	51	0.0	-72.81	376.07	8.16	-64.65
O=C([O-])C1=CN=C2CC(CNC(=O)C3CCC4CCCC[N@H+]43)CCN12	REAL300006582324	1	51	0.0	-72.84	376.27	8.17	-64.67
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582331	0	54	0.0	-74.95	396.17	6.76	-68.19
CC[NH+](CC)CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582347	0	46	0.0	-75.17	346.95	6.76	-68.41
CC(C)[NH+]1CCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC1	REAL300006582349	0	53	0.0	-76.92	394.26	8.52	-68.40
O=C([O-])C1=CN=C2CC(CNC(=O)C34CC[NH+](CC3)C4)CCN12	REAL300006582430	0	45	0.0	-77.81	346.89	6.20	-71.61
CCC(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[NH+](C)C	REAL300006582433	0	46	0.0	-74.07	346.01	6.68	-67.39
O=C([O-])C1=CN=C2CC(CNC(=O)C34CC[N@H+](C3)CCC4)CCN12	REAL300006582441	0	48	0.0	-76.96	357.68	6.89	-70.07
O=C([O-])C1=CN=C2CC(CNC(=O)C34CC[N@@H+](C3)CCC4)CCN12	REAL300006582441	1	48	0.0	-77.08	357.25	6.91	-70.17
CC1CCC(C)[NH+]1CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582486	0	50	0.0	-73.28	372.50	7.70	-65.58
C[NH+](C)CC1=CC=CC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)=C1	REAL300006582487	0	50	0.0	-79.17	393.52	9.17	-70.00
O=C([O-])C1=CN=C2CC(CNC(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)CCN12	REAL300006582488	0	57	0.0	-77.19	436.51	10.86	-66.33
O=C([O-])C1=CN=C2CC(CNC(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)CCN12	REAL300006582488	1	57	0.0	-74.37	430.20	11.07	-63.30
C[NH+](C)C1(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CCC1	REAL300006582526	0	47	0.0	-77.79	349.56	6.84	-70.95
C#CC[NH+]1CCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC1	REAL300006582555	0	49	0.0	-80.52	384.60	8.50	-72.02
CCC[N@@H+]1CCCCC1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582557	0	53	0.0	-73.56	387.21	8.50	-65.06
CCC[N@H+]1CCCCC1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582557	1	53	0.0	-72.73	396.65	8.67	-64.06
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582558	0	50	0.0	-69.40	386.21	9.40	-60.00
CC[NH+]1CCN(CCC(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC1	REAL300006582560	0	55	0.0	-77.28	412.81	6.19	-71.09
CCN1CC[NH+](CCC(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC1	REAL300006582560	1	55	0.0	-78.41	413.97	6.34	-72.07
CC(C)[N@H+](C)CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582561	0	46	0.0	-74.57	349.78	6.88	-67.69
CC(C)[N@@H+](C)CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582561	1	46	0.0	-74.55	349.79	6.87	-67.68
CC(C)C(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[NH+]1CCCCC1	REAL300006582562	0	56	0.0	-71.18	404.38	9.11	-62.07
C[NH+](C)C(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)C1=CC=CC=C1	REAL300006582563	1	50	0.0	-74.76	390.05	9.17	-65.59
O=C([O-])C1=CN=C2CC(CNC(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)CCN12	REAL300006582567	0	55	0.0	-77.15	428.36	7.10	-70.05
O=C([O-])C1=CN=C2CC(CNC(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)CCN12	REAL300006582567	1	55	0.0	-76.71	429.13	7.13	-69.58
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582572	1	51	0.0	-70.94	400.77	8.84	-62.10
C[NH+](C)CC1=C(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)OC2=CC=CC=C21	REAL300006582574	0	53	0.0	-74.57	414.61	9.50	-65.07
O=C([O-])C1=CN=C2CC(CNC(=O)C3CCC[N@@H+]3C3CCCC3)CCN12	REAL300006582580	0	54	0.0	-75.23	391.38	9.01	-66.22
O=C([O-])C1=CN=C2CC(CNC(=O)C3CCC[N@H+]3C3CCCC3)CCN12	REAL300006582580	1	54	0.0	-74.87	392.92	9.09	-65.78
CC[N@H+](CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)C1CC1	REAL300006582582	0	47	0.0	-73.32	363.96	7.71	-65.61
CC[N@@H+](CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)C1CC1	REAL300006582582	1	47	0.0	-74.01	361.40	7.70	-66.31
CC(C)C(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[NH+]1CC(C)OC(C)C1	REAL300006582609	1	60	0.0	-76.21	439.17	8.20	-68.01
CC(C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[NH+]1CCCCCC1	REAL300006582610	0	53	0.0	-72.97	384.38	8.14	-64.83
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582614	0	44	0.0	-73.67	341.29	6.73	-66.94
C[N@H+]1CCC[C@H]1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582614	1	44	0.0	-75.71	335.34	6.22	-69.49
CC(C)(C)[NH2+]CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582697	0	46	0.0	-76.16	354.31	5.41	-70.75
CC[NH+](CC)CC1=CC=C(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)O1	REAL300006582699	0	53	0.0	-77.82	415.74	8.85	-68.97
O=C([O-])C1=CN=C2CC(CNC(=O)CCCC[NH+]3CCCC3)CCN12	REAL300006582700	0	53	0.0	-76.75	406.69	9.00	-67.75
C[N@H+](CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)CC1=CC=CC=C1	REAL300006582703	1	50	0.0	-80.98	392.04	9.27	-71.71
C[N@@H+](CC(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)CC1=CC=CC=C1	REAL300006582703	1	50	0.0	-80.94	392.02	9.27	-71.67
CC(C)[C@@H](C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1)[NH+](C)C	REAL300006582714	0	49	0.0	-74.35	361.63	8.18	-66.17
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582764	0	57	0.0	-79.21	436.51	10.69	-68.52
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582764	1	57	0.0	-79.09	437.12	10.75	-68.34
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582777	0	50	0.0	-73.87	368.25	7.97	-65.90
CC(C)[N@H+]1CCCC1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006582777	1	50	0.0	-71.90	374.39	7.80	-64.10
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CCC[N@@H+]1CCCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006582990	0	53	0.0	-71.17	392.89	8.90	-62.27
CCC[N@H+]1CCCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006582990	1	53	0.0	-71.11	392.85	8.90	-62.21
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006583021	0	53	0.0	-74.25	394.38	8.33	-65.92
CC(C)C[N@H+]1CCCC1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006583021	1	53	0.0	-74.26	389.41	8.95	-65.31
O=C([O-])C1=CN=C2CC(CNC(=O)C[NH+]3CCC(CO)CC3)CCN12	REAL300006583022	1	51	0.0	-78.45	389.15	4.86	-73.59
CC(C)[N@@H+]1CCCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583247	0	53	0.0	-73.96	394.26	8.48	-65.48
CC(C)[N@H+]1CCCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583247	1	53	0.0	-70.00	388.01	8.67	-61.33
C[N@@H+]1CC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C(C(F)(F)F)C1	REAL300006583248	0	47	0.0	-84.61	379.31	7.43	-77.18
C[N@H+]1CC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C(C(F)(F)F)C1	REAL300006583248	1	47	0.0	-85.96	379.66	7.43	-78.53
CC1=C(C)[NH+]=C(CCC(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)N1	REAL300006583274	1	48	0.0	-71.73	385.60	6.97	-64.76
C[NH+](C)CCC1=CC=CC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)=C1	REAL300006583758	0	53	0.0	-80.11	416.01	10.01	-70.10
C[NH+](C)CCOC1=CC=C(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C=C1	REAL300006583765	0	54	0.0	-80.90	423.32	8.95	-71.95
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583901	0	47	0.0	-76.90	365.11	7.40	-69.50
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)CC1	REAL300006583905	0	53	0.0	-73.30	387.68	8.36	-64.94
CC1=[NH+]C=C2C=CC(C(=O)NCC3CCN4C(C(=O)[O-])=CN=C4C3)=CN21	REAL300006583909	0	45	0.0	-73.29	366.93	8.95	-64.34
CC(C)C[N@@H+]1CCCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583970	0	56	0.0	-71.22	410.30	9.58	-61.64
CC(C)C[N@H+]1CCCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583970	1	56	0.0	-71.24	410.32	9.59	-61.65
CC[N@@H+]1CCCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583971	0	50	0.0	-75.18	377.60	7.96	-67.22
CC[N@H+]1CCCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583971	1	50	0.0	-75.15	377.60	7.96	-67.19
C[N@@H+]1CCCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583976	0	47	0.0	-76.75	359.95	7.31	-69.44
C[N@H+]1CCCC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583976	1	47	0.0	-71.20	353.69	7.52	-63.68
C[NH+](C)CC1=CC=C(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)O1	REAL300006583978	1	47	0.0	-80.45	378.87	7.39	-73.06
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583984	0	56	0.0	-78.58	397.75	8.37	-70.21
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C1	REAL300006583984	1	56	0.0	-78.55	397.73	8.36	-70.19
O=C([O-])C1=CN=C2CC(CNC(=O)C34CC(C3)C[N@H+]4C3CC3)CCN12	REAL300006583987	1	49	0.0	-74.40	373.19	8.99	-65.41
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300006585071	0	52	0.0	-84.13	421.54	9.41	-74.72
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300006585698	0	49	0.0	-72.44	398.19	8.30	-64.14
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300006585698	1	49	0.0	-72.47	398.19	8.29	-64.18
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[NH+](C3CC3)CC2)=N1	REAL300006586584	0	46	0.0	-77.25	374.24	7.25	-70.00
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+]2C2CC2)=N1	REAL300006586610	0	43	0.0	-69.72	357.82	6.70	-63.02
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+]2C2CC2)=N1	REAL300006586610	1	43	0.0	-69.63	352.86	6.54	-63.09
CC1=[NH+]C=C2CCC(C(=O)NCCC3=NC(C)=C(C(=O)[O-])S3)CN21	REAL300006586616	1	44	0.0	-69.90	368.04	6.92	-62.98
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=N1	REAL300006586617	0	52	0.0	-72.47	424.14	9.35	-63.12
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC[N@H+]2C)=N1	REAL300006586697	0	42	0.0	-71.05	342.35	5.76	-65.29
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC[N@@H+]2C)=N1	REAL300006586697	1	42	0.0	-71.04	342.34	5.76	-65.28
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)N2CC[NH+](C)CC2)=N1	REAL300006586698	1	47	0.0	-74.34	371.34	3.99	-70.35
CC1=C(C(=O)[O-])SC(CCNC(=O)[C@@H]2CCCC[N@H+]2C)=N1	REAL300006586739	0	42	0.0	-71.00	342.37	5.76	-65.24
CC1=C(C(=O)[O-])SC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)=N1	REAL300006586739	1	42	0.0	-72.35	333.05	5.60	-66.75
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[NH+](C)CC2)=N1	REAL300006586826	0	42	0.0	-80.01	344.95	5.84	-74.17
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CN3C=[NH+]C=C3C=C2)=N1	REAL300006586852	0	37	0.0	-76.18	330.56	7.66	-68.52
CC1=C(C(=O)[O-])SC(CCNC(=O)C2(C[NH+](C)C)CCCCC2)=N1	REAL300006586889	0	51	0.0	-77.43	384.77	7.82	-69.61
CC1=C(C(=O)[O-])SC(CCNC(=O)CC[N@@H+](C)C2CCCCC2)=N1	REAL300006586894	0	51	0.0	-77.62	398.81	7.77	-69.85
CC1=C(C(=O)[O-])SC(CCNC(=O)CC[N@H+](C)C2CCCCC2)=N1	REAL300006586894	1	51	0.0	-77.59	398.80	7.76	-69.83
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=N1	REAL300006586911	1	49	0.0	-76.57	404.64	8.36	-68.21
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=N1	REAL300006586911	1	49	0.0	-76.69	404.54	8.35	-68.34
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[NH+](C)CC2)=N1	REAL300006586962	0	42	0.0	-80.01	344.95	5.84	-74.17
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=N1	REAL300006586966	0	45	0.0	-82.23	389.62	6.79	-75.44
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC[N@@H+]2C2CCCC2)=N1	REAL300006586988	0	52	0.0	-69.41	398.34	7.98	-61.43
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC[N@H+]2C2CCCC2)=N1	REAL300006586988	1	52	0.0	-69.02	397.94	7.99	-61.03
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC([NH+]3CCOCC3)CC2)=N1	REAL300006586989	0	53	0.0	-71.32	405.57	6.30	-65.02
CC1=C(C(=O)[O-])SC(CCNC(=O)CCCN2C=C[NH+]=C2C)=N1	REAL300006587022	1	43	0.0	-73.21	371.35	7.07	-66.14
CC1=C(C(=O)[O-])SC(CCNC(=O)CCCC[NH+]2CCOCC2)=N1	REAL300006587023	1	49	0.0	-79.91	398.66	5.77	-74.14
CC[N@H+](CC1=CC=C(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300006587026	0	54	0.0	-80.31	423.53	9.11	-71.20
CC[N@@H+](CC1=CC=C(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300006587026	1	54	0.0	-80.62	417.85	8.84	-71.78
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300006587079	0	49	0.0	-77.05	405.40	8.61	-68.44
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300006587079	1	49	0.0	-76.68	405.40	8.68	-68.00
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[NH+](C3CCSC3)CC2)=N1	REAL300006587080	0	50	0.0	-84.68	399.79	7.75	-76.93
CC1=C(C(=O)[O-])SC(CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)=N1	REAL300006587105	0	53	0.0	-78.45	393.31	5.84	-72.61
CCC(C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1)[NH+](CC)CC	REAL300006587109	0	47	0.0	-68.39	362.99	6.19	-62.20
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=N1	REAL300006587111	0	48	0.0	-76.06	395.31	8.16	-67.90
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=N1	REAL300006587111	1	48	0.0	-76.08	395.17	8.15	-67.93
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(C[NH+](C)C)N=C2)=N1	REAL300006587143	0	44	0.0	-81.15	374.34	5.80	-75.35
CCC[NH+](CCC)CCCC(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587152	0	53	0.0	-76.58	418.48	8.10	-68.48
CC[N@H+](C)C(C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300006587153	0	48	0.0	-71.03	392.84	8.31	-62.72
CC[N@@H+](C)C(C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300006587153	1	48	0.0	-70.64	393.78	8.28	-62.36
CC1=C(C(=O)[O-])SC(CCNC(=O)C2C[N@H+](C)CCO2)=N1	REAL300006587155	1	40	0.0	-86.80	337.76	4.63	-82.17
CC1=C(C(=O)[O-])SC(CCNC(=O)C2C[N@@H+](C)CCO2)=N1	REAL300006587155	1	40	0.0	-86.92	337.78	4.63	-82.29
CC[NH+](CC)C(C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300006587158	0	51	0.0	-72.98	399.79	8.68	-64.30
CC1=C(C(=O)[O-])SC(CCNC(=O)CN2C=C[NH+]=C2C(C)C)=N1	REAL300006587167	1	43	0.0	-69.94	366.04	6.90	-63.04
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)=N1	REAL300006587172	1	45	0.0	-75.98	391.85	8.18	-67.80
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=N1	REAL300006587185	0	49	0.0	-83.41	403.35	8.81	-74.60
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=N1	REAL300006587193	0	52	0.0	-77.00	420.11	9.51	-67.49
CC1=C(C(=O)[O-])SC(CCNC(=O)C2(C[NH+](C)C)CC2)=N1	REAL300006587199	0	42	0.0	-76.49	351.03	5.87	-70.62
CC1=C(C(=O)[O-])SC(CCNC(=O)CCCC[NH+](C)C)=N1	REAL300006587208	0	44	0.0	-78.12	365.76	6.32	-71.80
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C(C)C)[NH+](C)C)=N1	REAL300006587217	0	44	0.0	-72.98	350.01	6.24	-66.74
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300006587230	0	52	0.0	-72.53	419.08	9.32	-63.21
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300006587230	1	52	0.0	-72.60	409.59	9.17	-63.43
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=N1	REAL300006587232	1	43	0.0	-82.83	376.15	6.06	-76.77
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=N1	REAL300006587240	0	52	0.0	-83.70	419.80	9.47	-74.23
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=N1	REAL300006587254	1	45	0.0	-80.52	383.80	6.26	-74.26
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=N1	REAL300006587255	0	48	0.0	-85.39	401.03	8.50	-76.89
CNC1=[NH+]C(C)=CC=C1C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587267	1	41	0.0	-68.70	349.69	5.24	-63.46
CC1=C(C(=O)[O-])SC(CCNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300006587269	1	50	0.0	-82.42	407.36	8.05	-74.37
CC1=C(C(=O)[O-])SC(CCNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300006587269	1	50	0.0	-82.54	407.41	8.05	-74.49
CC1=C(C(=O)[O-])SC(CCNC(=O)C[N@@H+](C)C2CCC2)=N1	REAL300006587300	0	42	0.0	-72.39	346.49	6.15	-66.24
CC1=C(C(=O)[O-])SC(CCNC(=O)C[N@H+](C)C2CCC2)=N1	REAL300006587300	1	42	0.0	-72.73	346.63	6.16	-66.57
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)[NH+]2CCSCC2)=N1	REAL300006587324	1	43	0.0	-75.18	359.38	6.15	-69.03
CC1=C(C(=O)[O-])SC(CCNC(=O)C[N@@H+](C)CC(C)(C)C)=N1	REAL300006587330	0	47	0.0	-74.44	370.02	6.66	-67.78
CC1=C(C(=O)[O-])SC(CCNC(=O)C[N@H+](C)CC(C)(C)C)=N1	REAL300006587330	1	47	0.0	-74.40	370.53	6.74	-67.66
CC1=C(C(=O)[O-])SC(CCNC(=O)C[N@H+](C)CCC2=CC=CC=C2)=N1	REAL300006587332	0	48	0.0	-78.36	399.53	8.61	-69.75
CC1=C(C(=O)[O-])SC(CCNC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=N1	REAL300006587332	1	48	0.0	-78.30	399.53	8.61	-69.69
COCCOCC[N@H+](C)CCC(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587333	0	52	0.0	-77.23	428.55	4.79	-72.44
COCCOCC[N@@H+](C)CCC(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587333	1	52	0.0	-78.17	428.57	4.80	-73.37
CC1=C(C(=O)[O-])SC(CCNC(=O)CC2(O)CCC[N@@H+](C)C2)=N1	REAL300006587338	0	46	0.0	-70.53	361.02	4.34	-66.19
CC1=C(C(=O)[O-])SC(CCNC(=O)CC2(O)CCC[N@H+](C)C2)=N1	REAL300006587338	1	46	0.0	-70.01	370.70	4.52	-65.49
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)=N1	REAL300006587359	1	51	0.0	-77.19	414.10	7.56	-69.63
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)=N1	REAL300006587359	1	51	0.0	-77.19	404.60	7.43	-69.76
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)=N1	REAL300006587360	1	51	0.0	-77.42	404.53	7.32	-70.10
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)=N1	REAL300006587360	1	51	0.0	-74.65	404.53	7.41	-67.24
CCCCCC[N@H+](C)CC(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587362	0	50	0.0	-75.90	404.12	7.92	-67.98
CCCCCC[N@@H+](C)CC(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587362	1	50	0.0	-75.96	404.12	7.92	-68.04
CC1=C(C(=O)[O-])SC(CCNC(=O)C23CCC[NH+]2CCC3)=N1	REAL300006587372	0	43	0.0	-76.55	345.12	6.17	-70.38
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC3=C[NH+]=CN3C=C2)=N1	REAL300006587380	1	37	0.0	-81.38	330.83	7.69	-73.69
CC1=C(C(=O)[O-])SC(CCNC(=O)C[N@@H+](C)C2CCSC2)=N1	REAL300006587394	0	43	0.0	-80.30	361.12	6.41	-73.89
CC1=C(C(=O)[O-])SC(CCNC(=O)C[N@H+](C)C2CCSC2)=N1	REAL300006587394	1	43	0.0	-80.73	359.73	6.39	-74.34
CC1=C(C(=O)[O-])SC(CCNC(=O)CCN2CC[NH+](C(C)C)CC2)=N1	REAL300006587410	0	53	0.0	-75.41	415.74	5.35	-70.06
CC1=C(C(=O)[O-])SC(CCNC(=O)CC[NH+]2CCN(C(C)C)CC2)=N1	REAL300006587410	1	53	0.0	-77.38	412.06	5.14	-72.24
CC1=C(C(=O)[O-])SC(CCNC(=O)CCCN2CC[NH+](C(C)C)CC2)=N1	REAL300006587411	0	56	0.0	-73.62	432.13	5.78	-67.84
CC1=C(C(=O)[O-])SC(CCNC(=O)CCC[NH+]2CCN(C(C)C)CC2)=N1	REAL300006587411	1	56	0.0	-77.37	433.55	5.94	-71.43
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC3CCC[N@@H+]32)=N1	REAL300006587412	0	46	0.0	-67.49	365.02	7.00	-60.49
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCCC3CCC[N@H+]32)=N1	REAL300006587412	1	46	0.0	-70.56	356.64	6.72	-63.84
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CN(CC[NH+](C)C)N=C2)=N1	REAL300006587414	0	45	0.0	-82.95	384.70	5.67	-77.28
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=N1	REAL300006587425	0	51	0.0	-79.17	416.48	7.60	-71.57
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=N1	REAL300006587425	1	51	0.0	-77.75	410.14	7.79	-69.96
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=N1	REAL300006587430	1	49	0.0	-75.44	395.41	8.74	-66.70
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=N1	REAL300006587430	1	49	0.0	-75.43	395.44	8.74	-66.69
CCCC(C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1)[NH+](C)C	REAL300006587451	0	44	0.0	-72.69	352.42	5.93	-66.76
CC1=C(C(=O)[O-])SC(CCNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300006587453	0	52	0.0	-80.97	425.43	9.40	-71.57
CC1=C(C(=O)[O-])SC(CCNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300006587453	1	52	0.0	-80.94	425.86	9.41	-71.53
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=NN(CC[NH+](C)C)C=C2)=N1	REAL300006587468	0	45	0.0	-87.65	385.08	5.67	-81.98
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=NN2CC[NH+](C)C)=N1	REAL300006587469	0	45	0.0	-68.85	380.13	5.63	-63.22
CC1=C(C(=O)[O-])SC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=N1	REAL300006587474	0	42	0.0	-79.42	336.97	5.14	-74.28
CC1=C(C(=O)[O-])SC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=N1	REAL300006587474	1	42	0.0	-78.10	343.28	5.40	-72.70
CCC1=[NH+]C=CN1C(C)CC(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587476	1	46	0.0	-70.37	386.34	7.38	-62.99
CC[C@@H]1[C@@H](C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)CC[N@@H+]1C	REAL300006587479	0	45	0.0	-76.73	357.84	5.86	-70.87
CC[C@@H]1[C@@H](C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)CC[N@H+]1C	REAL300006587479	1	45	0.0	-76.32	362.86	6.15	-70.17
C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587482	1	41	0.0	-72.27	347.03	5.94	-66.33
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587482	1	41	0.0	-72.01	352.80	6.46	-65.55
CC1=C(C(=O)[O-])SC(CCNC(=O)C2C[N@@H+](C)CC(C)O2)=N1	REAL300006587489	1	43	0.0	-78.45	351.87	5.19	-73.26
CC1=C(C(=O)[O-])SC(CCNC(=O)C2C[N@H+](C)CC(C)O2)=N1	REAL300006587489	1	43	0.0	-88.01	351.71	4.93	-83.08
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)=N1	REAL300006587495	1	48	0.0	-73.23	394.97	6.70	-66.53
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)=N1	REAL300006587495	1	48	0.0	-76.71	398.47	6.99	-69.72
CC1=C(C(=O)[O-])SC(CCNC(=O)CN2C=C[NH+]=C2C)=N1	REAL300006587499	1	37	0.0	-71.21	329.81	5.78	-65.43
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)C[NH+]2CCOCC2)=N1	REAL300006587501	0	46	0.0	-77.22	371.70	4.91	-72.31
CC1=C(C(=O)[O-])SC(CCNC(=O)C[NH+]2CCC(C)CC2)=N1	REAL300006587516	0	45	0.0	-75.36	363.35	6.66	-68.70
CC[N@@H+]1CCOC(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006587528	1	43	0.0	-77.35	348.44	5.12	-72.23
CC[N@H+]1CCOC(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006587528	1	43	0.0	-77.19	348.45	5.11	-72.08
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)=N1	REAL300006587565	1	52	0.0	-82.84	422.19	7.74	-75.10
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[N@@H+](C3CCCCC3)C2)=N1	REAL300006587566	0	52	0.0	-75.30	405.06	8.04	-67.26
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[N@H+](C3CCCCC3)C2)=N1	REAL300006587566	1	52	0.0	-76.77	405.73	8.05	-68.72
CC1=C(C(=O)[O-])SC(CCNC(=O)CCC2CCC[N@H+]2C)=N1	REAL300006587573	0	45	0.0	-74.61	362.29	6.19	-68.42
CC1=C(C(=O)[O-])SC(CCNC(=O)CCC2CCC[N@@H+]2C)=N1	REAL300006587573	1	45	0.0	-74.70	362.34	6.20	-68.50
CC1=C(C(=O)[O-])SC(CCNC(=O)C23CCC[NH+](CCC2)C3)=N1	REAL300006587586	0	46	0.0	-75.37	357.79	6.37	-69.00
CC1=C(C(=O)[O-])SC(CCNC(=O)C2(C)CC(O)C[N@H+]2C)=N1	REAL300006587588	0	43	0.0	-80.45	344.88	2.17	-78.28
CC1=C(C(=O)[O-])SC(CCNC(=O)C2(C)CC(O)C[N@@H+]2C)=N1	REAL300006587588	1	43	0.0	-82.20	348.56	2.24	-79.96
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC3CCCC[N@@H+]32)=N1	REAL300006587589	0	46	0.0	-71.44	361.20	6.65	-64.79
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC3CCCC[N@H+]32)=N1	REAL300006587589	1	46	0.0	-71.10	361.12	6.65	-64.45
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)(C)C[NH+]2CCOCC2)=N1	REAL300006587596	0	49	0.0	-72.36	381.20	5.26	-67.10
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=N1	REAL300006587601	0	52	0.0	-82.75	408.31	6.31	-76.44
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=N1	REAL300006587601	1	52	0.0	-86.86	416.77	6.55	-80.31
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CC[NH+](C(C)C)CC2)=N1	REAL300006587613	0	48	0.0	-77.10	375.62	6.79	-70.31
CC1=C(C(=O)[O-])SC(CCNC(=O)C23CC[NH+](CC2)C3)=N1	REAL300006587693	0	40	0.0	-77.66	332.01	4.68	-72.98
CC1=C(C(=O)[O-])SC(CCNC(=O)C23CC[N@H+](C2)CCC3)=N1	REAL300006587703	0	43	0.0	-81.35	342.32	5.40	-75.95
CC1=C(C(=O)[O-])SC(CCNC(=O)C23CC[N@@H+](C2)CCC3)=N1	REAL300006587703	1	43	0.0	-76.44	342.04	5.39	-71.05
CC1=C(C(=O)[O-])SC(CCNC(=O)C[NH+]2C(C)CCC2C)=N1	REAL300006587751	0	45	0.0	-70.77	357.43	6.05	-64.72
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=CC(C[NH+](C)C)=C2)=N1	REAL300006587752	0	45	0.0	-78.10	378.54	7.66	-70.44
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300006587753	0	52	0.0	-75.27	421.52	9.36	-65.91
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300006587753	1	52	0.0	-72.32	415.24	9.56	-62.76
CC1=C(C(=O)[O-])SC(CCNC(=O)C2([NH+](C)C)CCC2)=N1	REAL300006587792	0	42	0.0	-78.88	336.10	5.54	-73.34
C#CC[NH+]1CCC(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006587823	0	44	0.0	-82.46	370.14	7.04	-75.42
CCC[N@@H+]1CCCCC1C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587825	0	48	0.0	-70.69	381.69	7.15	-63.54
CCC[N@H+]1CCCCC1C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006587825	1	48	0.0	-70.65	381.67	7.15	-63.50
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=CC=C2C[NH+](C)C)=N1	REAL300006587826	0	45	0.0	-63.47	371.47	7.92	-55.55
CC[NH+]1CCN(CCC(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006587828	0	50	0.0	-77.69	397.84	4.68	-73.01
CCN1CC[NH+](CCC(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300006587828	1	50	0.0	-77.37	399.00	4.83	-72.54
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C(C)C)[NH+]2CCCCC2)=N1	REAL300006587829	0	51	0.0	-71.13	392.58	8.09	-63.04
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C2=CC=CC=C2)[NH+](C)C)=N1	REAL300006587830	1	45	0.0	-72.06	375.08	7.67	-64.39
CC1=C(C(=O)[O-])SC(CCNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300006587834	0	50	0.0	-74.38	414.17	5.64	-68.74
CC1=C(C(=O)[O-])SC(CCNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300006587834	1	50	0.0	-74.52	413.62	5.58	-68.94
CC1=C(C(=O)[O-])SC(CCNC(=O)CCN2C=C[NH+]=C2C(C)C)=N1	REAL300006587839	1	46	0.0	-69.89	385.83	7.33	-62.56
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=N1	REAL300006587841	0	48	0.0	-67.09	405.72	8.01	-59.08
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+]2C2CCCC2)=N1	REAL300006587847	0	49	0.0	-74.59	376.42	7.53	-67.06
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+]2C2CCCC2)=N1	REAL300006587847	1	49	0.0	-72.26	386.36	7.56	-64.70
CC[N@H+](CC(=O)NCCC1=NC(C)=C(C(=O)[O-])S1)C1CC1	REAL300006587849	0	42	0.0	-73.38	341.49	5.74	-67.64
CC[N@@H+](CC(=O)NCCC1=NC(C)=C(C(=O)[O-])S1)C1CC1	REAL300006587849	1	42	0.0	-71.95	346.76	6.15	-65.80
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)=N1	REAL300006587878	1	55	0.0	-71.06	422.92	7.36	-63.70
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)[NH+]2CCCCCC2)=N1	REAL300006587879	0	48	0.0	-71.45	371.49	6.96	-64.49
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=N1	REAL300006587921	1	50	0.0	-82.19	413.34	8.10	-74.09
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=N1	REAL300006587921	1	50	0.0	-82.08	413.55	8.07	-74.01
CC[NH+](CC)CC1=CC=C(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)O1	REAL300006587971	0	48	0.0	-79.90	400.59	7.36	-72.54
CC1=C(C(=O)[O-])SC(CCNC(=O)CCCC[NH+]2CCCC2)=N1	REAL300006587972	0	48	0.0	-76.55	391.72	7.49	-69.06
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)=N1	REAL300006587974	1	51	0.0	-74.78	414.42	7.25	-67.53
CC1=C(C(=O)[O-])SC(CCNC(=O)C[N@@H+](C)CC2=CC=CC=C2)=N1	REAL300006587975	1	45	0.0	-79.33	377.04	7.76	-71.57
CC1=C(C(=O)[O-])SC(CCNC(=O)C[N@H+](C)CC2=CC=CC=C2)=N1	REAL300006587975	1	45	0.0	-79.35	377.10	7.76	-71.59
CC1=C(C(=O)[O-])SC(CCNC(=O)[C@H](C(C)C)[NH+](C)C)=N1	REAL300006587986	0	44	0.0	-72.78	349.69	6.40	-66.38
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=N1	REAL300006588004	1	40	0.0	-82.12	359.69	5.61	-76.51
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=NOC(C[NH+](C)C)=C2)=N1	REAL300006588033	1	41	0.0	-82.12	359.50	5.20	-76.92
CC1=C(C(=O)[O-])SC(CCNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=N1	REAL300006588037	0	52	0.0	-82.83	425.09	9.14	-73.69
CC1=C(C(=O)[O-])SC(CCNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=N1	REAL300006588037	1	52	0.0	-78.34	422.01	9.19	-69.15
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+]2C(C)C)=N1	REAL300006588051	0	45	0.0	-72.52	353.19	6.46	-66.06
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+]2C(C)C)=N1	REAL300006588051	1	45	0.0	-70.06	359.34	6.28	-63.78
CC1=C(C(=O)[O-])SC(CCNC(=O)COC2CC[NH+](C)CC2)=N1	REAL300006588076	0	46	0.0	-82.27	380.35	6.26	-76.01
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=N1	REAL300006588081	0	49	0.0	-81.50	405.48	7.76	-73.74
CCC[N@@H+]1CCCC(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006588273	0	48	0.0	-68.00	377.88	7.39	-60.61
CCC[N@H+]1CCCC(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006588273	1	48	0.0	-68.14	377.89	7.39	-60.75
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+]2CC(C)C)=N1	REAL300006588304	0	48	0.0	-71.20	385.32	7.35	-63.85
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+]2CC(C)C)=N1	REAL300006588304	1	48	0.0	-73.45	374.34	7.44	-66.01
CC1=C(C(=O)[O-])SC(CCNC(=O)C[NH+]2CCC(CO)CC2)=N1	REAL300006588305	1	46	0.0	-76.27	374.18	3.35	-72.92
CC1=C(C(=O)[O-])SC(CCNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=N1	REAL300006588409	0	53	0.0	-81.31	429.91	9.67	-71.64
CC1=C(C(=O)[O-])SC(CCNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=N1	REAL300006588409	1	53	0.0	-82.14	430.19	9.64	-72.50
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+](C(C)C)C2)=N1	REAL300006588536	0	48	0.0	-73.06	379.27	6.97	-66.09
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+](C(C)C)C2)=N1	REAL300006588536	1	48	0.0	-72.92	379.31	6.97	-65.95
CC1=C(C(=O)[O-])SC(CCNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=N1	REAL300006588537	0	42	0.0	-85.88	354.77	6.44	-79.44
CC1=C(C(=O)[O-])SC(CCNC(=O)C2C[N@H+](C)CC2C(F)(F)F)=N1	REAL300006588537	1	42	0.0	-80.12	357.10	5.91	-74.21
CC1=C(C(=O)[O-])SC(CCNC(=O)CCC2=[NH+]C(C)=C(C)N2)=N1	REAL300006588563	1	43	0.0	-70.71	370.63	5.46	-65.25
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=N1	REAL300006589059	0	48	0.0	-79.16	401.03	8.50	-70.66
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=N1	REAL300006589066	0	49	0.0	-83.48	408.34	7.43	-76.05
CC1=C(C(=O)[O-])SC(CCNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)=N1	REAL300006589204	0	42	0.0	-75.94	349.96	5.90	-70.04
CC1=C(C(=O)[O-])SC(CCNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=N1	REAL300006589208	0	48	0.0	-71.09	372.68	6.87	-64.22
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+](CC(C)C)C2)=N1	REAL300006589275	0	51	0.0	-75.02	401.85	7.89	-67.13
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+](CC(C)C)C2)=N1	REAL300006589275	1	51	0.0	-75.02	401.85	7.89	-67.13
CC[N@@H+]1CCCC(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006589276	0	45	0.0	-74.00	362.62	6.45	-67.55
CC[N@H+]1CCCC(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006589276	1	45	0.0	-74.00	362.62	6.45	-67.55
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@@H+](C)C2)=N1	REAL300006589280	0	42	0.0	-75.72	344.96	5.79	-69.93
CC1=C(C(=O)[O-])SC(CCNC(=O)C2CCC[N@H+](C)C2)=N1	REAL300006589280	1	42	0.0	-75.72	344.96	5.79	-69.93
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(CN(C)C)O2)=N1	REAL300006589282	0	42	0.0	-82.92	364.97	5.98	-76.94
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(C[NH+](C)C)O2)=N1	REAL300006589282	1	42	0.0	-82.92	364.97	5.98	-76.94
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=N1	REAL300006589288	0	51	0.0	-77.53	390.40	7.30	-70.23
CC1=C(C(=O)[O-])SC(CCNC(=O)C(C)(C)C2CCC[N@H+](C)C2)=N1	REAL300006589288	1	51	0.0	-77.53	390.40	7.30	-70.23
CC1=C(C(=O)[O-])SC(CCNC(=O)C23CC(C2)C[N@@H+]3C2CC2)=N1	REAL300006589291	0	44	0.0	-75.46	357.65	7.69	-67.77
CC1(C)[C@H](NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C[C@@H]1C(=O)[O-]	REAL300006590608	0	53	0.0	-73.70	395.40	10.34	-63.36
CC1(C)[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300006591389	0	50	0.0	-64.13	379.57	9.82	-54.31
CC1(C)[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300006591389	1	50	0.0	-61.15	372.45	9.27	-51.88
CC1(C)[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C[C@@H]1C(=O)[O-]	REAL300006592185	1	50	0.0	-67.70	396.67	10.36	-57.34
CC1(C)[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C[C@@H]1C(=O)[O-]	REAL300006592185	1	50	0.0	-63.43	387.80	9.75	-53.68
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CN21	REAL300006592273	1	45	0.0	-61.79	341.40	7.89	-53.90
CC1(C)[C@H](NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300006592274	0	53	0.0	-66.09	388.55	9.81	-56.28
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)=CS1	REAL300006592339	1	52	0.0	-72.61	403.13	8.15	-64.46
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300006592414	0	56	0.0	-72.73	427.12	9.88	-62.85
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300006592428	0	56	0.0	-75.67	429.48	12.24	-63.43
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300006592428	1	56	0.0	-76.11	429.48	12.24	-63.87
CC1(C)[C@H](NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C[C@@H]1C(=O)[O-]	REAL300006592429	0	56	0.0	-63.61	408.39	10.80	-52.81
CC1(C)[C@H](NC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006592472	0	53	0.0	-65.14	409.98	10.51	-54.63
CC1(C)[C@H](NC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006592472	1	53	0.0	-66.26	410.92	10.66	-55.60
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCCCC1	REAL300006592512	0	52	0.0	-62.77	357.04	8.70	-54.07
C[N@H+](CCC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCCCC1	REAL300006592515	0	52	0.0	-68.68	371.46	8.73	-59.95
C[N@@H+](CCC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCCCC1	REAL300006592515	1	52	0.0	-68.37	371.46	8.72	-59.65
CC1(C)[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@@H]1C(=O)[O-]	REAL300006592539	1	53	0.0	-68.07	388.76	10.18	-57.89
CC1(C)[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C[C@@H]1C(=O)[O-]	REAL300006592539	1	53	0.0	-66.59	390.49	10.21	-56.38
CC1(C)[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@@H]1C(=O)[O-]	REAL300006592540	1	50	0.0	-68.71	386.37	9.91	-58.80
CC1(C)[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@@H]1C(=O)[O-]	REAL300006592540	1	50	0.0	-64.22	377.48	9.30	-54.92
CC1(C)[C@H](NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@@H]1C(=O)[O-]	REAL300006592595	0	46	0.0	-71.98	363.92	7.78	-64.20
C[NH+](C)CCN1N=CC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1C1=CC=CC=C1	REAL300006592600	0	56	0.0	-75.39	430.76	9.95	-65.44
CC1(C)[C@H](NC(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@@H]1C(=O)[O-]	REAL300006592626	0	53	0.0	-59.43	371.73	8.96	-50.47
CC1(C)[C@H](NC(=O)C2CCCC[N@H+]2C2CCCC2)C[C@@H]1C(=O)[O-]	REAL300006592626	1	53	0.0	-59.83	370.82	8.93	-50.90
CC1(C)[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1C(=O)[O-]	REAL300006592627	0	54	0.0	-72.67	386.34	7.43	-65.24
CC1(C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C(=O)[O-]	REAL300006592655	1	50	0.0	-72.34	371.32	6.72	-65.62
CC[N@H+](CC1=CC=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1)C(C)C	REAL300006592656	0	55	0.0	-71.57	401.38	10.25	-61.32
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1)C(C)C	REAL300006592656	1	55	0.0	-73.78	392.61	9.97	-63.81
CC1(C)[C@H](NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006592680	0	50	0.0	-68.40	376.38	9.49	-58.91
CC1(C)[C@H](NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006592680	1	50	0.0	-68.69	377.87	9.64	-59.05
CC1(C)[C@H](NC(=O)C2CC[NH+](C3CCSC3)CC2)C[C@@H]1C(=O)[O-]	REAL300006592681	0	51	0.0	-77.12	378.42	9.06	-68.06
C[NH+]1CCN(C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C2=CC=CC=C2)CC1	REAL300006592703	1	55	0.0	-66.35	408.04	8.46	-57.89
CC1(C)[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H]1C(=O)[O-]	REAL300006592704	0	54	0.0	-68.51	369.82	6.98	-61.53
CC(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300006592707	0	49	0.0	-64.41	369.64	9.13	-55.28
CC(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300006592707	1	49	0.0	-65.36	369.65	9.13	-56.23
CC1(C)[C@H](NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006592717	0	56	0.0	-71.74	416.70	11.19	-60.55
CC1(C)[C@H](NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006592717	1	56	0.0	-64.19	412.09	11.40	-52.79
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300006592748	0	45	0.0	-72.73	348.54	6.80	-65.93
CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006592760	0	54	0.0	-68.69	395.63	9.34	-59.35
CC1(C)[C@H](NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C[C@@H]1C(=O)[O-]	REAL300006592761	1	54	0.0	-60.73	401.18	7.07	-53.66
CC[N@H+](C)C(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006592762	0	49	0.0	-64.88	361.97	9.09	-55.79
CC[N@@H+](C)C(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006592762	1	49	0.0	-62.59	368.00	9.28	-53.31
CC[NH+](CC)C(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006592767	0	52	0.0	-63.66	373.48	9.30	-54.36
C[NH+](C)C(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=C(Cl)C=C1	REAL300006592773	1	46	0.0	-67.71	364.44	9.14	-58.57
CC1(C)[C@H](NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300006592787	0	50	0.0	-74.64	377.65	9.79	-64.85
CC1(C)[C@H](NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C[C@@H]1C(=O)[O-]	REAL300006592794	0	53	0.0	-71.84	394.06	10.44	-61.40
CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)CC1	REAL300006592800	0	61	0.0	-71.49	424.42	7.75	-63.74
CC1C[NH+](CC2=CC=C(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C2)CC(C)O1	REAL300006592807	1	57	0.0	-78.48	428.08	9.59	-68.89
CC1(C)[C@H](NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@@H]1C(=O)[O-]	REAL300006592816	1	54	0.0	-77.21	400.67	9.61	-67.60
CC1(C)[C@H](NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@@H]1C(=O)[O-]	REAL300006592816	1	54	0.0	-77.73	402.21	9.64	-68.09
CC1(C)[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300006592830	0	53	0.0	-60.59	391.74	10.27	-50.32
CC1(C)[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300006592830	1	53	0.0	-62.86	391.70	10.28	-52.58
CC1=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300006592832	1	44	0.0	-77.10	350.46	7.04	-70.06
CC1(C)[C@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300006592840	0	53	0.0	-75.09	394.41	10.50	-64.59
CC1(C)[C@H](NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@@H]1C(=O)[O-]	REAL300006592852	1	46	0.0	-75.02	357.58	7.30	-67.72
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300006592853	0	49	0.0	-77.28	375.29	9.49	-67.79
CC1(C)[C@H](NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@@H]1C(=O)[O-]	REAL300006592861	1	51	0.0	-72.91	380.24	8.97	-63.94
CC1(C)[C@H](NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@@H]1C(=O)[O-]	REAL300006592861	1	51	0.0	-66.32	380.10	8.97	-57.35
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006592867	0	60	0.0	-63.81	432.03	11.66	-52.15
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006592867	1	60	0.0	-63.89	435.01	12.01	-51.88
CC(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006592875	0	59	0.0	-65.77	431.37	11.60	-54.17
CC(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCSCC1	REAL300006592905	1	44	0.0	-67.71	327.29	7.06	-60.65
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006592912	0	49	0.0	-69.49	372.18	9.57	-59.92
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006592912	1	49	0.0	-69.37	372.19	9.57	-59.80
COCCOCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006592913	0	53	0.0	-68.97	401.21	5.76	-63.21
COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006592913	1	53	0.0	-69.34	401.25	5.76	-63.58
CC1(C)[C@H](NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@@H]1C(=O)[O-]	REAL300006592923	0	58	0.0	-73.88	427.44	9.27	-64.61
CC1(C)[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C[C@@H]1C(=O)[O-]	REAL300006592924	1	52	0.0	-65.24	388.22	8.57	-56.67
CC1(C)[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C[C@@H]1C(=O)[O-]	REAL300006592924	1	52	0.0	-66.41	377.29	8.37	-58.04
C[N@H+](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCSC1	REAL300006592949	0	44	0.0	-69.97	332.39	7.37	-62.60
C[N@@H+](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCSC1	REAL300006592949	1	44	0.0	-70.42	332.31	7.38	-63.04
CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300006592960	0	54	0.0	-68.46	387.24	6.14	-62.32
CC(C)N1CC[NH+](CCC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300006592960	1	54	0.0	-68.49	385.25	6.14	-62.35
CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300006592961	0	57	0.0	-67.52	409.89	7.11	-60.41
CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300006592961	1	57	0.0	-69.49	406.21	6.90	-62.59
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300006592963	0	46	0.0	-76.44	359.01	6.66	-69.78
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)=C1	REAL300006592968	0	58	0.0	-72.88	427.31	9.13	-63.75
CC1(C)[C@H](NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@@H]1C(=O)[O-]	REAL300006592970	0	55	0.0	-72.81	405.87	8.47	-64.34
CC1(C)[C@H](NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006592974	0	52	0.0	-71.02	384.46	8.78	-62.24
CC1(C)[C@H](NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006592974	1	52	0.0	-67.90	382.75	8.66	-59.24
CC(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006592979	1	50	0.0	-64.99	370.08	9.66	-55.33
CC(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300006592979	1	50	0.0	-65.81	369.70	9.70	-56.11
CC1(C)[C@H](NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006593007	0	53	0.0	-72.63	398.15	10.35	-62.28
CC1(C)[C@H](NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006593007	1	53	0.0	-73.09	399.98	10.37	-62.72
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300006593019	0	46	0.0	-76.99	357.82	6.64	-70.35
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006593020	0	46	0.0	-63.73	352.85	6.59	-57.14
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006593025	1	47	0.0	-62.14	359.01	8.33	-53.81
CC1(C)[C@H](NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006593039	0	53	0.0	-71.75	400.66	10.39	-61.36
CC1(C)[C@H](NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006593039	1	53	0.0	-71.76	400.56	10.39	-61.37
CC1(C)[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@@H]1C(=O)[O-]	REAL300006593040	1	49	0.0	-60.17	375.68	8.23	-51.94
CC1(C)[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@@H]1C(=O)[O-]	REAL300006593040	1	49	0.0	-61.14	366.73	7.42	-53.72
CC1(C)[C@H](NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C[C@@H]1C(=O)[O-]	REAL300006593044	0	54	0.0	-72.36	403.60	7.88	-64.48
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300006593089	1	53	0.0	-75.70	396.88	8.83	-66.87
CC1(C)[C@H](NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C(=O)[O-]	REAL300006593090	0	53	0.0	-68.16	378.43	8.98	-59.18
CC1(C)[C@H](NC(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C(=O)[O-]	REAL300006593090	1	53	0.0	-67.91	379.87	9.01	-58.90
CC1(C)[C@H](NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@@H]1C(=O)[O-]	REAL300006593110	0	58	0.0	-72.93	426.32	9.15	-63.78
CC1(C)[C@H](NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@@H]1C(=O)[O-]	REAL300006593110	1	58	0.0	-78.41	428.08	9.11	-69.30
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006593117	0	50	0.0	-63.96	355.45	6.23	-57.73
CC(C)[N@@H+]1CCC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C2=CN(C)N=C2)C1	REAL300006593120	0	59	0.0	-72.01	431.42	9.13	-62.88
CC(C)[N@H+]1CCC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C2=CN(C)N=C2)C1	REAL300006593120	1	59	0.0	-72.93	417.21	8.40	-64.53
CN1C=C(C2C[N@H+](C)CCC2C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300006593121	0	53	0.0	-71.26	381.06	7.26	-64.00
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300006593121	1	53	0.0	-76.54	391.07	7.52	-69.02
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=C2)CC1	REAL300006593127	0	55	0.0	-69.17	411.39	8.06	-61.11
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C2)CC1	REAL300006593128	0	55	0.0	-72.52	409.87	8.05	-64.47
CN1CC[NH+](CC2=CC=C(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C2)CC1	REAL300006593128	1	55	0.0	-76.16	410.54	7.88	-68.28
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300006593129	0	56	0.0	-72.60	413.98	9.51	-63.09
CC1(C)[C@H](NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300006593230	0	57	0.0	-78.62	426.08	7.80	-70.82
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300006593234	0	46	0.0	-72.96	352.77	8.63	-64.33
CC1(C)[C@H](NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006593235	0	53	0.0	-67.71	394.20	10.32	-57.39
CC1(C)[C@H](NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006593235	1	53	0.0	-64.92	387.91	10.52	-54.40
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006593291	0	46	0.0	-60.23	343.68	8.91	-51.32
CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300006593293	0	51	0.0	-70.08	370.50	5.64	-64.44
CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300006593293	1	51	0.0	-68.50	371.66	5.78	-62.72
CC(C)C(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCCCC1	REAL300006593296	0	52	0.0	-59.85	364.39	9.05	-50.80
C[NH+](C)C(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006593297	1	46	0.0	-60.95	347.73	8.62	-52.33
CC1(C)[C@H](NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006593301	0	51	0.0	-67.19	386.15	6.54	-60.65
CC1(C)[C@H](NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(=O)[O-]	REAL300006593301	1	51	0.0	-66.60	387.54	6.59	-60.01
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006593306	1	47	0.0	-61.85	358.53	8.29	-53.56
C[NH+](C)CC1=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)OC2=CC=CC=C21	REAL300006593307	0	49	0.0	-63.44	378.34	8.97	-54.47
CC1(C)[C@H](NC(=O)C2CCC[N@@H+]2C2CCCC2)C[C@@H]1C(=O)[O-]	REAL300006593311	0	50	0.0	-64.60	350.03	8.42	-56.18
CC1(C)[C@H](NC(=O)C2CCC[N@H+]2C2CCCC2)C[C@@H]1C(=O)[O-]	REAL300006593311	1	50	0.0	-63.16	360.41	8.54	-54.62
CC(C)C(C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CC(C)OC(C)C1	REAL300006593335	1	56	0.0	-61.05	386.74	7.55	-53.50
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=CC=C1N2	REAL300006593363	1	51	0.0	-77.19	387.56	9.08	-68.11
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=CC=C1N2	REAL300006593363	1	51	0.0	-77.20	387.85	9.05	-68.15
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)O1	REAL300006593415	0	49	0.0	-68.99	373.44	8.29	-60.70
CC1=CC=C(N2CCC(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)[NH+]=C1	REAL300006593416	1	52	0.0	-65.67	386.89	8.03	-57.64
C[N@H+](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC1=CC=CC=C1	REAL300006593417	1	46	0.0	-69.25	349.71	8.72	-60.53
C[N@@H+](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC1=CC=CC=C1	REAL300006593417	1	46	0.0	-69.41	349.66	8.72	-60.69
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C2)CC1	REAL300006593420	0	58	0.0	-74.84	420.82	9.01	-65.83
CC1(C)[C@H](NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@@H]1C(=O)[O-]	REAL300006593431	1	41	0.0	-75.98	333.89	6.61	-69.37
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006593465	0	53	0.0	-70.75	395.37	10.21	-60.54
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006593465	1	53	0.0	-74.32	396.87	10.11	-64.21
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300006593483	0	54	0.0	-75.22	417.10	9.63	-65.59
CC1(C)[C@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@@H]1C(=O)[O-]	REAL300006593501	0	50	0.0	-70.75	378.22	8.71	-62.04
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[C@@H](C(F)(F)F)C1	REAL300006593532	0	52	0.0	-70.98	387.27	8.30	-62.68
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[C@@H](C(F)(F)F)C1	REAL300006593532	1	52	0.0	-68.46	387.26	8.45	-60.01
CC1(C)[C@H](NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C[C@@H]1C(=O)[O-]	REAL300006593771	0	54	0.0	-72.64	403.53	10.63	-62.01
CC1(C)[C@H](NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C[C@@H]1C(=O)[O-]	REAL300006593771	1	54	0.0	-73.60	404.43	10.68	-62.92
CC1(C)[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C[C@@H]1C(=O)[O-]	REAL300006593803	1	53	0.0	-62.16	399.69	10.37	-51.79
CC1(C)[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C[C@@H]1C(=O)[O-]	REAL300006593803	1	53	0.0	-64.25	390.32	10.22	-54.03
C[N@@H+]1CC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C(F)(F)F)C1	REAL300006593886	0	43	0.0	-77.29	327.62	6.84	-70.45
C[N@H+]1CC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C(F)(F)F)C1	REAL300006593886	1	43	0.0	-74.65	323.57	7.34	-67.31
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300006594318	0	49	0.0	-74.47	375.27	9.48	-64.99
C[NH+](C)CCOC1=CC=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300006594324	0	50	0.0	-74.45	382.64	8.42	-66.03
CC1(C)[C@H](NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C[C@@H]1C(=O)[O-]	REAL300006594403	0	56	0.0	-71.00	412.48	11.01	-59.99
CC1C[N@H+](CC2=CC=C(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C2)CCO1	REAL300006594405	1	54	0.0	-76.92	398.56	8.78	-68.14
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C2)CCO1	REAL300006594405	1	54	0.0	-76.90	398.68	8.79	-68.11
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300006594491	0	52	0.0	-62.67	369.63	9.09	-53.58
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300006594491	1	52	0.0	-62.67	369.63	9.09	-53.58
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300006594499	0	52	0.0	-72.30	355.41	7.79	-64.51
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300006594499	1	52	0.0	-72.30	355.41	7.79	-64.51
CC1(C(=O)[O-])CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006595762	0	50	0.0	-83.08	381.08	9.67	-73.41
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006596536	0	47	0.0	-62.59	359.98	8.61	-53.98
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006596536	1	47	0.0	-63.46	365.93	9.15	-54.31
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300006597244	1	47	0.0	-65.57	376.78	9.13	-56.44
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300006597244	1	47	0.0	-63.52	376.84	9.15	-54.37
CC1(C(=O)[O-])CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300006597315	0	50	0.0	-80.52	374.30	9.28	-71.24
CC1=NC(C[NH+]2CCC(C(=O)NC3CC(C)(C(=O)[O-])C3)CC2)=CS1	REAL300006597376	1	49	0.0	-82.87	388.48	7.43	-75.44
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300006597433	0	53	0.0	-82.96	414.01	9.19	-73.77
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300006597446	0	53	0.0	-82.74	414.80	11.51	-71.23
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300006597446	1	53	0.0	-81.79	414.81	11.52	-70.27
CC1(C(=O)[O-])CC(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006597447	0	53	0.0	-73.71	393.64	10.08	-63.63
CC1(C(=O)[O-])CC(NC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006597485	0	50	0.0	-70.25	400.06	9.90	-60.35
CC1(C(=O)[O-])CC(NC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006597485	1	50	0.0	-69.09	397.19	9.98	-59.11
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300006597539	1	50	0.0	-70.70	372.79	10.14	-60.56
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300006597539	1	50	0.0	-69.65	382.47	10.34	-59.31
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300006597540	1	47	0.0	-66.46	366.46	8.67	-57.79
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300006597540	1	47	0.0	-64.34	366.50	8.70	-55.64
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300006597588	0	43	0.0	-81.98	349.10	7.08	-74.90
C[NH+](C)CCN1N=CC(C(=O)NC2CC(C)(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300006597593	0	53	0.0	-84.10	413.18	9.20	-74.90
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300006597617	0	50	0.0	-66.65	357.90	8.25	-58.40
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300006597617	1	50	0.0	-60.70	354.84	8.44	-52.26
CC1(C(=O)[O-])CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300006597618	0	51	0.0	-70.64	365.17	6.57	-64.07
CC[N@H+](CC1=CC=C(C(=O)NC2CC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300006597640	0	52	0.0	-83.15	383.08	9.37	-73.78
CC[N@@H+](CC1=CC=C(C(=O)NC2CC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300006597640	1	52	0.0	-84.79	378.23	9.29	-75.50
CC1(C(=O)[O-])CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006597661	0	47	0.0	-75.54	364.92	8.88	-66.66
CC1(C(=O)[O-])CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006597661	1	47	0.0	-68.74	366.66	8.99	-59.75
CC1(C(=O)[O-])CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300006597662	0	48	0.0	-85.81	363.73	8.33	-77.48
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CC1(C(=O)[O-])CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006597827	1	48	0.0	-70.81	369.12	8.36	-62.45
CC1(C(=O)[O-])CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006597827	1	48	0.0	-66.22	369.22	8.35	-57.87
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC1CC(C)(C(=O)[O-])C1	REAL300006597831	0	57	0.0	-67.25	424.14	11.25	-56.00
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC1CC(C)(C(=O)[O-])C1	REAL300006597831	1	57	0.0	-64.72	416.95	10.97	-53.75
CC(C(=O)NC1CC(C)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006597839	0	56	0.0	-70.19	418.18	10.89	-59.30
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CC1(C(=O)[O-])CC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006597881	0	55	0.0	-81.05	414.25	8.58	-72.47
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300006597882	1	49	0.0	-67.85	366.47	7.75	-60.10
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300006597882	1	49	0.0	-73.12	361.38	8.35	-64.77
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300006597883	1	49	0.0	-70.22	373.45	7.74	-62.48
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300006597883	1	49	0.0	-45.23	362.92	8.06	-37.17
CC(C)[NH+]1CCN(CCC(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300006597910	0	51	0.0	-76.71	375.29	5.61	-71.10
CC(C)N1CC[NH+](CCC(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300006597910	1	51	0.0	-75.59	371.61	5.41	-70.18
CC(C)[NH+]1CCN(CCCC(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300006597911	0	54	0.0	-74.82	391.69	6.04	-68.78
CC(C)N1CC[NH+](CCCC(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300006597911	1	54	0.0	-76.99	393.11	6.20	-70.79
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3CC(C)(C(=O)[O-])C3)CC2)=C1	REAL300006597916	0	55	0.0	-79.71	414.15	8.44	-71.27
CC1(C(=O)[O-])CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006597917	0	52	0.0	-79.82	392.75	7.77	-72.05
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300006597921	0	49	0.0	-77.28	376.01	7.87	-69.41
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300006597921	1	49	0.0	-71.14	378.15	7.84	-63.30
CC(C(=O)NC1CC(C)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006597925	1	47	0.0	-71.72	354.98	8.99	-62.73
CC(C(=O)NC1CC(C)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006597925	1	47	0.0	-65.03	357.23	9.05	-55.98
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CC1(C(=O)[O-])CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006597951	0	50	0.0	-72.26	385.28	9.65	-62.61
CC1(C(=O)[O-])CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006597951	1	50	0.0	-80.79	384.77	9.68	-71.11
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300006597976	0	50	0.0	-77.28	387.42	9.70	-67.58
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300006597976	1	50	0.0	-71.09	389.69	9.75	-61.34
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300006597977	1	46	0.0	-60.31	361.08	7.57	-52.74
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300006597977	1	46	0.0	-66.07	351.51	7.29	-58.78
CC1(C(=O)[O-])CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300006597979	0	51	0.0	-79.76	390.47	7.19	-72.57
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300006598009	1	50	0.0	-82.90	381.74	8.00	-74.90
CC1(C(=O)[O-])CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300006598010	0	50	0.0	-74.23	364.62	8.30	-65.93
CC1(C(=O)[O-])CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300006598010	1	50	0.0	-52.14	363.98	8.65	-43.49
CC1(C(=O)[O-])CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300006598025	0	55	0.0	-79.03	413.31	8.47	-70.56
CC1(C(=O)[O-])CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300006598025	1	55	0.0	-81.26	413.33	8.39	-72.87
CC(C)[N@@H+]1CCC(C(=O)NC2CC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006598031	0	56	0.0	-76.43	406.19	8.70	-67.73
CC(C)[N@H+]1CCC(C(=O)NC2CC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006598031	1	56	0.0	-73.34	413.35	7.98	-65.36
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300006598032	0	50	0.0	-79.07	378.60	6.89	-72.18
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300006598032	1	50	0.0	-88.31	376.29	6.82	-81.49
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3CC(C)(C(=O)[O-])C3)=C2)CC1	REAL300006598037	0	52	0.0	-76.08	396.78	7.34	-68.74
C[NH+]1CCN(CC2=CC=C(C(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300006598038	0	52	0.0	-85.30	395.84	7.16	-78.14
CN1CC[NH+](CC2=CC=C(C(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300006598038	1	52	0.0	-79.52	392.87	7.77	-71.75
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300006598039	0	53	0.0	-76.12	396.02	9.35	-66.77
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300006598111	0	54	0.0	-89.19	411.33	7.09	-82.10
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006598113	0	50	0.0	-55.38	379.84	9.98	-45.40
CC1(C(=O)[O-])CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006598113	1	50	0.0	-73.50	381.04	9.62	-63.88
CC1(C(=O)[O-])CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006598167	0	48	0.0	-66.87	375.56	5.96	-60.91
CC1(C(=O)[O-])CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006598167	1	48	0.0	-66.68	375.39	5.91	-60.77
C[NH+](C)CC1=C(C(=O)NC2CC(C)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300006598171	0	46	0.0	-61.48	365.21	8.29	-53.19
CC[NH+](CC)C(C(=O)NC1CC(C)(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300006598173	0	52	0.0	-71.48	397.30	9.77	-61.71
CC1(C(=O)[O-])CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300006598197	1	48	0.0	-66.21	375.58	9.48	-56.73
CC(C)C(C(=O)NC1CC(C)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006598198	1	53	0.0	-68.56	384.74	7.57	-60.99
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300006598220	1	48	0.0	-84.04	372.85	8.38	-75.66
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300006598220	1	48	0.0	-79.04	368.93	8.82	-70.22
CC[NH+](CC)CC1=CC=C(C(=O)NC2CC(C)(C(=O)[O-])C2)O1	REAL300006598270	0	46	0.0	-81.28	360.10	7.62	-73.66
CC1=CC=C(N2CCC(C(=O)NC3CC(C)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300006598272	1	49	0.0	-76.69	373.97	7.52	-69.17
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300006598275	0	55	0.0	-86.01	406.12	8.30	-77.71
CC1(C(=O)[O-])CC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300006598284	1	38	0.0	-82.55	319.25	5.89	-76.66
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC(C)(C(=O)[O-])C1	REAL300006598315	0	50	0.0	-79.51	383.21	10.02	-69.49
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC(C)(C(=O)[O-])C1	REAL300006598315	1	50	0.0	-77.36	381.51	9.51	-67.85
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300006598331	0	51	0.0	-86.15	402.43	8.91	-77.24
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006598347	0	47	0.0	-83.11	366.05	8.12	-74.99
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2CC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006598373	0	49	0.0	-65.77	374.45	7.66	-58.11
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2CC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006598373	1	49	0.0	-66.52	374.97	7.79	-58.73
CC1(C(=O)[O-])CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300006598566	0	51	0.0	-79.81	388.79	9.93	-69.88
CC1(C(=O)[O-])CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300006598566	1	51	0.0	-69.75	391.35	9.87	-59.88
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300006598594	1	50	0.0	-44.72	377.03	10.56	-34.16
CC1(C(=O)[O-])CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300006598594	1	50	0.0	-74.78	375.53	9.49	-65.29
C[N@@H+]1CC(C(=O)NC2CC(C)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006598657	0	40	0.0	-71.34	326.10	6.24	-65.10
C[N@H+]1CC(C(=O)NC2CC(C)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006598657	1	40	0.0	-79.64	307.32	6.32	-73.32
C[NH+](C)CCC1=CC=CC(C(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300006599014	0	46	0.0	-80.76	360.60	8.75	-72.01
C[NH+](C)CCOC1=CC=C(C(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300006599018	0	47	0.0	-78.04	364.58	8.26	-69.78
CC1(C(=O)[O-])CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006599083	0	53	0.0	-74.00	399.65	10.37	-63.63
CC1C[N@H+](CC2=CC=C(C(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300006599085	1	51	0.0	-80.93	382.14	8.64	-72.29
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300006599085	1	51	0.0	-77.32	387.76	8.16	-69.16
CC1=CN=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N=C1C	REAL300006599227	0	47	0.0	-48.89	359.06	6.06	-42.83
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C=CCN(CCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006599436	0	50	0.0	-47.40	389.60	11.77	-35.63
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C[NH+](C)CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006600817	0	43	0.0	-81.19	349.38	9.00	-72.19
C[N@@H+]1CCCCC1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006600818	0	50	0.0	-78.26	382.04	10.42	-67.84
C[N@H+]1CCCCC1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006600818	1	50	0.0	-77.53	391.31	10.59	-66.94
CC(C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)N1CC[NH+](C)CC1	REAL300006600819	1	55	0.0	-80.06	422.63	8.84	-71.22
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006600848	0	50	0.0	-77.42	391.34	10.59	-66.83
C[N@H+]1CCCC[C@H]1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006600848	1	50	0.0	-78.28	382.02	10.44	-67.84
C[NH+]1CCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006600892	0	50	0.0	-82.70	393.97	10.66	-72.04
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3=CN4C=[NH+]C=C4C=C3)=C2)=C1	REAL300006600919	0	45	0.0	-80.50	379.55	12.50	-68.00
C[NH+](C)CC1(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CCCCC1	REAL300006600940	0	59	0.0	-83.12	437.86	12.37	-70.75
C[N@H+](CCC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1CCCCC1	REAL300006600944	0	59	0.0	-81.70	447.80	12.60	-69.10
C[N@@H+](CCC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1CCCCC1	REAL300006600944	1	59	0.0	-81.65	447.80	12.60	-69.05
C[N@@H+]1CCCC1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006600955	0	47	0.0	-77.70	375.33	10.01	-67.69
C[N@H+]1CCCC1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006600955	1	47	0.0	-79.63	369.38	9.54	-70.09
C[NH+]1CCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006600997	0	50	0.0	-82.70	393.97	10.66	-72.04
CC1=[NH+]C=CN1CCCC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601032	1	51	0.0	-77.25	420.35	11.91	-65.34
O=C([O-])C1=CC(C2=CC(CNC(=O)CCCC[NH+]3CCOCC3)=CC=C2)=CC=C1	REAL300006601033	1	57	0.0	-83.46	447.64	10.59	-72.87
C[C@@H](C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300006601039	0	46	0.0	-79.03	367.28	9.41	-69.62
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601040	0	47	0.0	-79.50	369.38	9.54	-69.96
C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601040	1	47	0.0	-77.44	374.39	10.08	-67.36
C[C@H](C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300006601044	0	46	0.0	-79.09	367.52	9.42	-69.67
C[NH+](C)C1(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006601052	0	47	0.0	-81.26	377.91	10.37	-70.89
CCC(C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](CC)CC	REAL300006601107	0	55	0.0	-74.96	415.64	11.37	-63.59
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300006601126	0	52	0.0	-83.75	423.30	11.02	-72.73
CCC[NH+](CCC)CCCC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601129	0	61	0.0	-80.51	471.94	13.21	-67.30
C[N@@H+]1CCOC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006601130	1	48	0.0	-88.00	386.77	9.46	-78.54
C[N@H+]1CCOC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006601130	1	48	0.0	-83.55	379.65	9.31	-74.24
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601139	1	51	0.0	-76.02	415.03	11.73	-64.29
C[NH+](C)CC1(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006601148	0	50	0.0	-80.85	401.01	10.77	-70.08
C[NH+](C)CCCCC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601153	0	52	0.0	-81.50	414.74	11.15	-70.35
CC(C)C(C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300006601162	0	52	0.0	-78.38	396.76	11.24	-67.14
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601179	1	49	0.0	-72.79	398.68	10.06	-62.73
CCC[N@H+](C)CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601186	0	49	0.0	-80.74	388.61	10.41	-70.33
CCC[N@@H+](C)CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601186	1	49	0.0	-80.69	388.61	10.41	-70.28
C[N@H+](CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1CCC1	REAL300006601205	0	50	0.0	-78.67	395.60	10.98	-67.69
C[N@@H+](CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1CCC1	REAL300006601205	1	50	0.0	-78.87	395.50	10.98	-67.89
CC(C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+]1CCSCC1	REAL300006601217	1	51	0.0	-81.60	404.75	10.84	-70.76
C[N@H+](CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)CC(C)(C)C	REAL300006601218	0	55	0.0	-80.52	417.21	11.41	-69.11
C[N@@H+](CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)CC(C)(C)C	REAL300006601218	1	55	0.0	-80.28	419.16	11.56	-68.72
CC[C@@H](C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300006601222	0	49	0.0	-78.21	380.03	10.00	-68.21
C[N@@H+]1CCCC(O)(CC(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006601224	0	54	0.0	-77.21	410.03	9.16	-68.05
C[N@H+]1CCCC(O)(CC(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006601224	1	54	0.0	-76.76	419.68	9.36	-67.40
CCCCCC[N@H+](C)CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601244	0	58	0.0	-81.82	453.10	12.75	-69.07
CCCCCC[N@@H+](C)CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601244	1	58	0.0	-81.85	453.10	12.75	-69.10
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C34CCC[NH+]3CCC4)=C2)=C1	REAL300006601251	0	51	0.0	-78.46	394.04	10.99	-67.47
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3=CC4=C[NH+]=CN4C=C3)=C2)=C1	REAL300006601259	1	45	0.0	-83.27	379.82	12.51	-70.76
C[N@H+](CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1CCSC1	REAL300006601266	0	51	0.0	-85.95	408.87	11.23	-74.72
C[N@@H+](CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1CCSC1	REAL300006601266	1	51	0.0	-86.12	408.65	11.25	-74.87
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3CCCC4CCC[N@@H+]43)=C2)=C1	REAL300006601281	0	54	0.0	-76.36	406.04	11.57	-64.79
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3CCCC4CCC[N@H+]43)=C2)=C1	REAL300006601281	1	54	0.0	-76.38	406.07	11.57	-64.81
C[NH+](C)CCN1C=C(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300006601282	0	53	0.0	-86.96	433.69	10.50	-76.46
CCCC(C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300006601303	0	52	0.0	-79.50	404.63	11.37	-68.13
C[NH+](C)CCN1C=CC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300006601312	0	53	0.0	-86.62	434.07	10.49	-76.13
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601313	0	53	0.0	-79.79	429.09	10.47	-69.32
C[C@@H]1[C@H](C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC[N@@H+]1C	REAL300006601315	0	50	0.0	-82.61	385.92	9.97	-72.64
C[C@@H]1[C@H](C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC[N@H+]1C	REAL300006601315	1	50	0.0	-80.49	391.46	10.50	-69.99
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601317	1	54	0.0	-74.74	435.33	12.21	-62.53
CC[C@@H]1[C@@H](C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC[N@@H+]1C	REAL300006601319	0	53	0.0	-80.79	406.34	10.70	-70.09
CC[C@@H]1[C@@H](C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC[N@H+]1C	REAL300006601319	1	53	0.0	-80.39	411.27	11.04	-69.35
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601321	1	49	0.0	-78.17	396.02	10.77	-67.40
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601321	1	49	0.0	-77.87	401.92	11.30	-66.57
CC1C[N@H+](C)CC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300006601324	1	51	0.0	-87.02	401.22	10.17	-76.85
CC1C[N@@H+](C)CC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300006601324	1	51	0.0	-87.20	401.25	10.17	-77.03
O=C([O-])C1=CC(C2=CC(CNC(=O)C[NH+]3CCCC3)=CC=C2)=CC=C1	REAL300006601330	0	47	0.0	-79.74	374.86	10.14	-69.60
CC1=[NH+]C=CN1CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601332	1	45	0.0	-77.44	378.81	10.62	-66.82
CC(C[NH+]1CCOCC1)C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601334	0	54	0.0	-82.10	420.69	9.73	-72.37
CC1CC[NH+](CC(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006601353	0	53	0.0	-80.70	412.34	11.50	-69.20
CC[N@@H+]1CCOC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006601361	1	51	0.0	-82.38	397.41	9.94	-72.44
CC[N@H+]1CCOC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006601361	1	51	0.0	-82.34	397.45	9.95	-72.39
C[N@@H+]1CCCC1CCC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601387	0	53	0.0	-81.25	416.76	11.50	-69.75
C[N@H+]1CCCC1CCC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601387	1	53	0.0	-79.32	411.33	11.03	-68.29
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C34CCC[NH+](CCC3)C4)=C2)=C1	REAL300006601395	0	54	0.0	-80.59	406.77	11.21	-69.38
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601397	0	51	0.0	-81.72	397.64	7.07	-74.65
C[N@H+]1CC(O)CC1(C)C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601397	1	51	0.0	-82.64	395.81	7.16	-75.48
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3CCC4CCCC[N@@H+]43)=C2)=C1	REAL300006601398	0	54	0.0	-74.85	417.25	11.96	-62.89
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3CCC4CCCC[N@H+]43)=C2)=C1	REAL300006601398	1	54	0.0	-74.98	417.23	11.94	-63.04
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601402	0	57	0.0	-79.44	430.18	10.08	-69.36
CC[NH+](CC)CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601413	0	49	0.0	-78.80	385.48	10.36	-68.44
CC(C)[NH+]1CCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006601415	0	56	0.0	-80.14	424.63	11.61	-68.53
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C34CC[NH+](CC3)C4)=C2)=C1	REAL300006601478	0	48	0.0	-81.37	381.00	9.51	-71.86
CCC(C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300006601481	0	49	0.0	-78.77	383.13	10.62	-68.15
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C34CC[N@H+](C3)CCC4)=C2)=C1	REAL300006601488	0	51	0.0	-84.06	390.22	10.31	-73.75
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C34CC[N@@H+](C3)CCC4)=C2)=C1	REAL300006601488	1	51	0.0	-80.69	391.01	10.21	-70.48
CC1CCC(C)[NH+]1CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601518	0	53	0.0	-77.15	406.51	11.03	-66.12
C[NH+](C)CC1=CC=CC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300006601519	0	53	0.0	-82.56	427.54	12.48	-70.08
C[NH+](C)C1(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CCC1	REAL300006601546	0	50	0.0	-81.71	383.56	10.16	-71.55
C#CC[NH+]1CCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006601563	0	52	0.0	-83.83	418.64	11.81	-72.02
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601564	0	56	0.0	-77.32	421.23	11.83	-65.49
CCC[N@H+]1CCCCC1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601564	1	56	0.0	-76.55	430.66	11.98	-64.57
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601565	0	53	0.0	-73.87	420.43	12.76	-61.11
CC[NH+]1CCN(CCC(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006601566	0	58	0.0	-79.90	447.48	9.63	-70.27
CCN1CC[NH+](CCC(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006601566	1	58	0.0	-82.05	447.99	9.66	-72.39
CC(C)[N@H+](C)CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601567	0	49	0.0	-78.38	383.80	10.19	-68.19
CC(C)[N@@H+](C)CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601567	1	49	0.0	-78.42	383.80	10.19	-68.23
CC(C)C(C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+]1CCCCC1	REAL300006601568	0	59	0.0	-75.85	438.25	13.10	-62.75
C[NH+](C)C(C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1=CC=CC=C1	REAL300006601569	1	53	0.0	-78.49	424.10	12.49	-66.00
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601573	1	54	0.0	-74.48	434.79	12.16	-62.32
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3CCC[N@@H+]3C3CCCC3)=C2)=C1	REAL300006601578	0	57	0.0	-78.59	425.38	12.34	-66.25
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3CCC[N@H+]3C3CCCC3)=C2)=C1	REAL300006601578	1	57	0.0	-78.46	426.92	12.42	-66.04
CC[N@H+](CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1CC1	REAL300006601580	0	50	0.0	-77.36	398.58	11.05	-66.31
CC[N@@H+](CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1CC1	REAL300006601580	1	50	0.0	-77.73	395.43	11.02	-66.71
CC(C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+]1CCCCCC1	REAL300006601593	0	56	0.0	-77.06	419.45	11.41	-65.65
C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601596	0	47	0.0	-77.55	375.29	10.05	-67.50
C[N@H+]1CCC[C@H]1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601596	1	47	0.0	-79.62	369.39	9.54	-70.08
CC(C)(C)[NH2+]CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601642	0	49	0.0	-80.03	388.33	8.74	-71.29
O=C([O-])C1=CC(C2=CC(CNC(=O)CCCC[NH+]3CCCC3)=CC=C2)=CC=C1	REAL300006601643	0	56	0.0	-80.16	440.71	12.32	-67.84
C[N@H+](CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)CC1=CC=CC=C1	REAL300006601645	1	53	0.0	-84.61	426.04	12.59	-72.02
C[N@@H+](CC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)CC1=CC=CC=C1	REAL300006601645	1	53	0.0	-84.68	426.09	12.59	-72.09
CC(C)[C@@H](C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300006601652	0	52	0.0	-78.70	398.55	11.23	-67.47
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)=C2)=C1	REAL300006601665	1	48	0.0	-86.68	408.68	10.44	-76.24
C[NH+](C)CC1=CC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=NO1	REAL300006601676	1	49	0.0	-87.47	408.49	10.03	-77.44
CC(C)[N@@H+]1CCCC1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601685	0	53	0.0	-77.73	402.17	11.28	-66.45
CC(C)[N@H+]1CCCC1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601685	1	53	0.0	-75.67	408.18	11.11	-64.56
C[NH+]1CCC(OCC(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006601700	0	54	0.0	-84.70	429.33	11.10	-73.60
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006601809	0	56	0.0	-79.34	433.12	12.02	-67.32
CCC[N@H+]1CCCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006601809	1	56	0.0	-79.39	433.12	12.02	-67.37
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601827	0	56	0.0	-76.88	434.03	12.22	-64.66
CC(C)C[N@H+]1CCCC1C(=O)NCC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300006601827	1	56	0.0	-76.96	434.09	12.19	-64.77
O=C([O-])C1=CC(C2=CC(CNC(=O)C[NH+]3CCC(CO)CC3)=CC=C2)=CC=C1	REAL300006601828	0	54	0.0	-82.16	423.17	8.18	-73.98
CC(C)[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006601974	0	56	0.0	-74.08	422.03	12.00	-62.08
CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006601974	1	56	0.0	-74.09	422.00	11.99	-62.10
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N1	REAL300006601992	1	51	0.0	-75.31	419.62	10.29	-65.02
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006602372	0	50	0.0	-80.62	398.92	10.73	-69.89
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006602376	0	56	0.0	-78.09	421.67	11.67	-66.42
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006602416	0	59	0.0	-75.46	444.27	12.92	-62.54
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006602416	1	59	0.0	-75.46	444.27	12.92	-62.54
CC[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006602417	0	53	0.0	-78.87	411.61	11.27	-67.60
CC[N@H+]1CCCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006602417	1	53	0.0	-78.87	411.61	11.27	-67.60
C[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006602422	0	50	0.0	-75.52	387.69	10.83	-64.69
C[N@H+]1CCCC(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006602422	1	50	0.0	-75.52	387.69	10.83	-64.69
CN(C)CC1=CC=C(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300006602424	0	50	0.0	-83.47	413.91	10.81	-72.66
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300006602424	1	50	0.0	-83.47	413.91	10.81	-72.66
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006602430	0	59	0.0	-81.35	439.38	12.13	-69.22
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300006602430	1	59	0.0	-81.35	439.38	12.13	-69.22
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C34CC(C3)C[N@@H+]4C3CC3)=C2)=C1	REAL300006602433	0	52	0.0	-77.62	407.42	12.32	-65.30
O=C([O-])C1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCOCC2	REAL300006603528	0	58	0.0	-61.65	432.72	10.14	-51.51
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300006604161	0	55	0.0	-47.35	409.50	9.03	-38.32
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300006604161	1	55	0.0	-60.16	420.65	9.31	-50.85
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CC3)CC2)CC12CCOCC2	REAL300006605052	0	52	0.0	-61.66	383.49	7.75	-53.91
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2C2CC2)CC12CCOCC2	REAL300006605078	0	49	0.0	-47.16	363.41	6.86	-40.30
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2C2CC2)CC12CCOCC2	REAL300006605078	1	49	0.0	-45.75	361.02	6.61	-39.14
CC1=[NH+]C=C2CCC(C(=O)NCC3(C(=O)[O-])CC34CCOCC4)CN21	REAL300006605084	1	50	0.0	-53.12	378.20	7.60	-45.52
O=C([O-])C1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC12CCOCC2	REAL300006605085	0	58	0.0	-50.39	432.40	10.06	-40.33
C[N@@H+]1CCCCC1C(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605166	0	48	0.0	-49.80	353.58	6.50	-43.30
C[N@H+]1CCCCC1C(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605166	1	48	0.0	-57.39	346.91	6.04	-51.35
CC(C(=O)NCC1(C(=O)[O-])CC12CCOCC2)N1CC[NH+](C)CC1	REAL300006605167	1	53	0.0	-66.52	387.15	4.68	-61.84
C[N@@H+]1CCCC[C@H]1C(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605209	0	48	0.0	-55.64	356.33	6.15	-49.49
C[N@H+]1CCCC[C@H]1C(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605209	1	48	0.0	-59.61	349.71	6.06	-53.55
C[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)CC1	REAL300006605297	0	48	0.0	-65.06	358.66	6.54	-58.52
O=C([O-])C1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CC12CCOCC2	REAL300006605322	0	43	0.0	-61.84	341.80	8.41	-53.43
C[NH+](C)CC1(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)CCCCC1	REAL300006605355	0	57	0.0	-58.90	396.03	8.56	-50.34
C[N@H+](CCC(=O)NCC1(C(=O)[O-])CC12CCOCC2)C1CCCCC1	REAL300006605360	0	57	0.0	-54.96	410.04	8.50	-46.46
C[N@@H+](CCC(=O)NCC1(C(=O)[O-])CC12CCOCC2)C1CCCCC1	REAL300006605360	1	57	0.0	-62.08	412.38	8.49	-53.59
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC12CCOCC2	REAL300006605377	1	55	0.0	-67.76	428.59	9.42	-58.34
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC12CCOCC2	REAL300006605377	1	55	0.0	-51.58	420.77	9.50	-42.08
C[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)CC1	REAL300006605430	0	48	0.0	-65.06	358.66	6.54	-58.52
O=C([O-])C1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC12CCOCC2	REAL300006605435	0	51	0.0	-69.68	403.37	7.47	-62.21
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)CC12CCOCC2	REAL300006605458	0	58	0.0	-51.12	412.31	8.28	-42.84
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2C2CCCC2)CC12CCOCC2	REAL300006605458	1	58	0.0	-55.05	405.30	8.39	-46.66
O=C([O-])C1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CC12CCOCC2	REAL300006605459	0	59	0.0	-68.46	425.81	7.16	-61.30
CC1=[NH+]C=CN1CCCC(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605492	1	49	0.0	-56.07	382.60	7.82	-48.25
O=C(CCCC[NH+]1CCOCC1)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605493	1	55	0.0	-63.80	409.90	6.50	-57.30
CC[N@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C=C1)C(C)C	REAL300006605496	0	60	0.0	-72.20	429.31	9.74	-62.46
CC[N@@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C=C1)C(C)C	REAL300006605496	1	60	0.0	-68.43	431.14	9.47	-58.96
O=C([O-])C1(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300006605546	0	55	0.0	-68.70	422.44	9.19	-59.51
O=C([O-])C1(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300006605546	1	55	0.0	-56.22	415.19	9.33	-46.89
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CCSC3)CC2)CC12CCOCC2	REAL300006605547	0	56	0.0	-64.15	411.45	8.55	-55.60
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605572	0	59	0.0	-55.12	407.22	6.63	-48.49
CCC(C(=O)NCC1(C(=O)[O-])CC12CCOCC2)[NH+](CC)CC	REAL300006605576	0	53	0.0	-46.30	377.89	7.28	-39.02
CC(C(=O)NCC1(C(=O)[O-])CC12CCOCC2)[N@H+](C)CC1=CC=CC=C1	REAL300006605578	0	54	0.0	-47.17	406.73	8.89	-38.28
CC(C(=O)NCC1(C(=O)[O-])CC12CCOCC2)[N@@H+](C)CC1=CC=CC=C1	REAL300006605578	1	54	0.0	-59.09	407.94	8.77	-50.32
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C=N1	REAL300006605610	0	50	0.0	-66.53	385.59	6.91	-59.62
CCC[NH+](CCC)CCCC(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605619	0	59	0.0	-58.55	434.18	9.12	-49.43
CC[N@H+](C)C(C(=O)NCC1(C(=O)[O-])CC12CCOCC2)C1=CC=CC=C1	REAL300006605620	0	54	0.0	-44.14	405.06	9.03	-35.11
CC[N@@H+](C)C(C(=O)NCC1(C(=O)[O-])CC12CCOCC2)C1=CC=CC=C1	REAL300006605620	1	54	0.0	-50.68	406.56	9.02	-41.66
C[N@@H+]1CCOC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006605622	1	46	0.0	-55.89	347.94	5.31	-50.58
C[N@H+]1CCOC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006605622	1	46	0.0	-69.28	354.12	5.12	-64.16
CC[NH+](CC)C(C(=O)NCC1(C(=O)[O-])CC12CCOCC2)C1=CC=CC=C1	REAL300006605625	0	57	0.0	-48.24	411.84	9.08	-39.16
CC(C)C1=[NH+]C=CN1CC(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605634	1	49	0.0	-55.03	379.72	7.61	-47.42
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CC12CCOCC2)C1=CC=C(Cl)C=C1	REAL300006605639	1	51	0.0	-61.37	405.37	8.89	-52.48
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC12CCOCC2	REAL300006605652	0	55	0.0	-72.07	417.04	9.53	-62.54
O=C([O-])C1(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC12CCOCC2	REAL300006605660	0	58	0.0	-67.08	431.37	10.25	-56.83
C[NH+](C)CC1(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)CC1	REAL300006605666	0	48	0.0	-47.97	363.67	6.52	-41.45
C[NH+](C)CCCCC(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605675	0	50	0.0	-62.67	376.99	7.04	-55.63
CC(C)C(C(=O)NCC1(C(=O)[O-])CC12CCOCC2)[NH+](C)C	REAL300006605684	0	50	0.0	-51.39	355.84	6.45	-44.94
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300006605697	0	58	0.0	-45.89	431.51	9.94	-35.95
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300006605697	1	58	0.0	-46.02	420.83	9.90	-36.12
CC1=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C=NN1C1=CC=[NH+]C=C1	REAL300006605699	1	49	0.0	-75.48	389.79	6.78	-68.70
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC12CCOCC2	REAL300006605707	0	58	0.0	-72.39	433.79	10.23	-62.16
O=C([O-])C1(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC12CCOCC2	REAL300006605721	1	51	0.0	-71.67	395.04	6.99	-64.68
C[NH+](C)CCC1=CC=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C=C1	REAL300006605722	0	54	0.0	-75.73	414.73	9.21	-66.52
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CC(C)[N@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006606518	1	51	0.0	-51.92	364.78	6.72	-45.20
C[NH+]1CCC(OCC(=O)NCC2(C(=O)[O-])CC23CCOCC3)CC1	REAL300006606544	0	52	0.0	-65.29	391.58	7.00	-58.29
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC12CCOCC2	REAL300006606549	0	55	0.0	-62.00	417.78	8.59	-53.41
CCC[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006606741	0	54	0.0	-67.24	400.47	7.67	-59.57
CCC[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006606741	1	54	0.0	-56.36	395.38	7.93	-48.43
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006606772	0	54	0.0	-48.40	396.06	8.08	-40.32
CC(C)C[N@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006606772	1	54	0.0	-58.22	397.69	7.72	-50.50
O=C([O-])C1(CNC(=O)C[NH+]2CCC(CO)CC2)CC12CCOCC2	REAL300006606773	1	52	0.0	-51.78	385.43	4.09	-47.69
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC12CCOCC2	REAL300006606879	0	59	0.0	-57.24	440.58	10.40	-46.84
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC12CCOCC2	REAL300006606879	1	59	0.0	-67.33	447.19	10.17	-57.16
CC(C)[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607009	0	54	0.0	-51.92	386.05	7.78	-44.14
CC(C)[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607009	1	54	0.0	-61.81	393.29	7.28	-54.53
C[N@@H+]1CC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C(C(F)(F)F)C1	REAL300006607010	0	48	0.0	-76.93	381.18	6.34	-70.59
C[N@H+]1CC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C(C(F)(F)F)C1	REAL300006607010	1	48	0.0	-65.51	365.70	6.51	-59.00
CC1=C(C)[NH+]=C(CCC(=O)NCC2(C(=O)[O-])CC23CCOCC3)N1	REAL300006607036	1	49	0.0	-51.24	381.86	6.20	-45.04
C[NH+](C)CCC1=CC=CC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)=C1	REAL300006607533	0	54	0.0	-71.30	412.27	9.23	-62.07
C[NH+](C)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C=C1	REAL300006607540	0	55	0.0	-72.18	422.29	8.14	-64.04
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607677	0	48	0.0	-60.62	361.18	6.64	-53.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(C(=O)[O-])CC23CCOCC3)CC1	REAL300006607681	0	54	0.0	-60.83	383.93	7.61	-53.22
CC1=[NH+]C=C2C=CC(C(=O)NCC3(C(=O)[O-])CC34CCOCC4)=CN21	REAL300006607685	0	46	0.0	-56.92	363.22	8.18	-48.74
CC(C)C[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607749	0	57	0.0	-50.65	406.52	8.81	-41.84
CC(C)C[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607749	1	57	0.0	-57.27	409.30	8.43	-48.84
CC[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607750	0	51	0.0	-61.93	372.72	7.14	-54.79
CC[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607750	1	51	0.0	-52.00	367.60	7.39	-44.61
C[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607754	0	48	0.0	-69.17	361.31	6.28	-62.89
C[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607754	1	48	0.0	-53.11	349.94	6.73	-46.38
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)O1	REAL300006607756	1	48	0.0	-61.96	375.02	6.59	-55.37
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607762	0	57	0.0	-68.64	398.34	7.40	-61.24
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C1	REAL300006607762	1	57	0.0	-64.39	401.64	8.04	-56.35
O=C([O-])C1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CC12CCOCC2	REAL300006607765	1	50	0.0	-50.10	367.83	8.35	-41.75
CC(C)(C)CC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006609077	0	58	0.0	-64.68	427.06	10.96	-53.72
CC(C)(C)CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300006609822	0	55	0.0	-48.10	404.50	9.90	-38.20
CC(C)(C)CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300006609822	1	55	0.0	-49.98	408.15	10.53	-39.45
CC(C)(C)CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300006610670	1	55	0.0	-48.21	420.14	10.39	-37.82
CC(C)(C)CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300006610670	1	55	0.0	-52.46	424.88	11.05	-41.41
CC(C)(C)CC(CNC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300006610746	0	52	0.0	-57.77	375.69	8.63	-49.14
CC1=[NH+]C=C2CCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])CN21	REAL300006610779	1	50	0.0	-54.10	374.59	8.54	-45.56
CC(C)(C)CC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300006610780	0	58	0.0	-57.06	421.53	10.45	-46.61
CC1=NC(C[NH+]2CCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])CC2)=CS1	REAL300006610854	1	57	0.0	-63.74	436.61	8.82	-54.92
CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006610855	1	53	0.0	-63.49	379.48	5.61	-57.88
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300006610940	0	61	0.0	-69.28	458.61	10.64	-58.64
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=C1	REAL300006610952	0	61	0.0	-72.54	461.11	12.84	-59.70
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=C1	REAL300006610952	1	61	0.0	-72.04	461.12	12.85	-59.19
CC(C)(C)CC(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006610954	0	61	0.0	-49.33	437.05	11.58	-37.75
CC(C)(C)CC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300006611013	0	43	0.0	-62.83	336.42	9.27	-53.56
C[NH+](C)CC1(C(=O)NCC(CC(C)(C)C)C(=O)[O-])CCCCC1	REAL300006611043	0	57	0.0	-63.20	396.17	9.29	-53.91
C[N@H+](CCC(=O)NCC(CC(C)(C)C)C(=O)[O-])C1CCCCC1	REAL300006611047	0	57	0.0	-57.80	401.71	9.51	-48.29
C[N@@H+](CCC(=O)NCC(CC(C)(C)C)C(=O)[O-])C1CCCCC1	REAL300006611047	1	57	0.0	-57.22	401.72	9.51	-47.71
CC(C)(C)CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300006611069	1	58	0.0	-48.32	428.56	11.16	-37.16
CC(C)(C)CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300006611069	1	58	0.0	-51.68	421.54	10.81	-40.87
CC(C)(C)CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300006611070	1	55	0.0	-49.91	411.65	9.93	-39.98
CC(C)(C)CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300006611070	1	55	0.0	-53.27	414.55	10.60	-42.67
CC(C)(C)CC(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300006611126	0	51	0.0	-70.03	394.44	8.38	-61.65
CC(C)(C)CC(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300006611154	0	58	0.0	-49.52	403.98	9.58	-39.94
CC(C)(C)CC(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300006611154	1	58	0.0	-49.29	398.59	9.68	-39.61
CC(C)(C)CC(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300006611155	0	59	0.0	-66.67	417.98	8.06	-58.61
CC1=[NH+]C=CN1CCCC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611187	1	49	0.0	-59.15	376.85	8.67	-50.48
CC(C)(C)CC(CNC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300006611188	1	55	0.0	-66.20	402.80	7.49	-58.71
CC[N@H+](CC1=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C1)C(C)C	REAL300006611190	0	60	0.0	-67.78	432.23	10.82	-56.96
CC[N@@H+](CC1=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C1)C(C)C	REAL300006611190	1	60	0.0	-71.23	422.80	10.71	-60.52
CC(C)(C)CC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006611214	0	55	0.0	-59.45	411.18	10.21	-49.24
CC(C)(C)CC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006611214	1	55	0.0	-57.29	407.84	10.44	-46.85
CC(C)(C)CC(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300006611215	0	56	0.0	-68.00	406.90	9.40	-58.60
C[NH+]1CCN(C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300006611243	1	60	0.0	-60.35	436.71	9.23	-51.12
CC(C)(C)CC(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300006611244	0	59	0.0	-58.85	402.80	7.66	-51.19
CCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])[NH+](CC)CC	REAL300006611248	0	53	0.0	-48.29	371.65	8.15	-40.14
CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006611250	0	54	0.0	-53.74	401.40	9.61	-44.13
CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006611250	1	54	0.0	-53.51	405.30	10.03	-43.48
CC(C)(C)CC(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006611261	0	61	0.0	-61.88	449.50	11.83	-50.05
CC(C)(C)CC(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006611261	1	61	0.0	-56.45	443.66	12.03	-44.42
C[NH+](C)CC1=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=N1	REAL300006611289	0	50	0.0	-69.82	378.47	7.92	-61.90
CCC[NH+](CCC)CCCC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611300	0	59	0.0	-61.54	424.38	9.69	-51.85
CC(C)(C)CC(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300006611301	1	59	0.0	-51.46	432.64	7.72	-43.74
CC[N@H+](C)C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300006611302	0	54	0.0	-53.24	393.35	9.74	-43.50
CC[N@@H+](C)C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300006611302	1	54	0.0	-51.18	398.77	9.92	-41.26
CC[NH+](CC)C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300006611307	0	57	0.0	-43.76	400.72	10.13	-33.63
CC(C)C1=[NH+]C=CN1CC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611314	1	49	0.0	-51.35	373.73	8.54	-42.81
C[NH+](C)C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300006611316	1	51	0.0	-49.69	394.69	9.94	-39.75
CC(C)(C)CC(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300006611330	0	55	0.0	-70.83	408.33	10.34	-60.49
CC(C)(C)CC(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300006611337	0	58	0.0	-67.21	425.97	11.11	-56.10
CCN1CCC([NH+]2CCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])CC2)CC1	REAL300006611344	0	66	0.0	-60.17	461.11	8.72	-51.45
CC1C[NH+](CC2=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C2)CC(C)O1	REAL300006611351	1	62	0.0	-73.36	459.26	10.14	-63.22
CC(C)(C)CC(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006611362	1	59	0.0	-66.87	430.65	10.43	-56.44
CC(C)(C)CC(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006611362	1	59	0.0	-69.04	440.59	10.31	-58.73
CC(C)(C)CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300006611378	0	58	0.0	-45.10	421.54	11.11	-33.99
CC(C)(C)CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300006611378	1	58	0.0	-45.74	413.61	10.95	-34.79
CC1=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006611380	1	49	0.0	-73.43	378.71	7.75	-65.68
CC(C)(C)CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300006611388	0	58	0.0	-71.56	427.48	11.11	-60.45
CC(C)(C)CC(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300006611400	1	51	0.0	-73.06	389.29	7.88	-65.18
C[NH+](C)CCC1=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300006611401	0	54	0.0	-75.16	406.91	10.10	-65.06
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611412	1	47	0.0	-49.78	355.24	6.84	-42.94
CC(C)(C)CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006611413	1	56	0.0	-48.86	412.88	9.63	-39.23
CC(C)(C)CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006611413	1	56	0.0	-60.45	412.93	9.64	-50.81
CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006611427	0	64	0.0	-49.06	461.14	12.44	-36.62
CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])[NH+]1CCSCC1	REAL300006611468	1	49	0.0	-52.92	360.25	7.64	-45.28
C[N@H+](CC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC(C)(C)C	REAL300006611474	0	53	0.0	-49.87	373.42	8.48	-41.39
C[N@@H+](CC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC(C)(C)C	REAL300006611474	1	53	0.0	-49.35	381.05	8.84	-40.51
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611476	0	54	0.0	-56.39	407.21	10.25	-46.14
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611476	1	54	0.0	-56.15	405.39	10.20	-45.95
COCCOCC[N@H+](C)CCC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611477	0	58	0.0	-58.96	431.15	6.54	-52.42
COCCOCC[N@@H+](C)CCC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611477	1	58	0.0	-59.12	434.43	6.40	-52.72
C[N@@H+]1CCCC(O)(CC(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006611481	0	52	0.0	-58.31	370.96	6.23	-52.08
C[N@H+]1CCCC(O)(CC(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006611481	1	52	0.0	-53.39	376.46	6.11	-47.28
CC(C)(C)CC(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006611491	0	63	0.0	-65.63	458.83	10.04	-55.59
CC(C)(C)CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300006611492	1	57	0.0	-48.31	416.20	9.36	-38.95
CC(C)(C)CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300006611492	1	57	0.0	-52.06	410.12	9.01	-43.05
CC(C)(C)CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300006611493	1	57	0.0	-52.48	419.94	9.10	-43.38
CC(C)(C)CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300006611493	1	57	0.0	-49.59	406.69	9.18	-40.41
CCCCCC[N@H+](C)CC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611495	0	56	0.0	-54.06	411.80	9.57	-44.49
CCCCCC[N@@H+](C)CC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611495	1	56	0.0	-53.96	411.80	9.57	-44.39
CC(C)(C)CC(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300006611507	1	43	0.0	-66.06	333.74	9.44	-56.62
C[N@H+](CC(=O)NCC(CC(C)(C)C)C(=O)[O-])C1CCSC1	REAL300006611525	0	49	0.0	-55.61	366.97	8.00	-47.61
C[N@@H+](CC(=O)NCC(CC(C)(C)C)C(=O)[O-])C1CCSC1	REAL300006611525	1	49	0.0	-55.54	363.87	8.12	-47.42
CC(C)[NH+]1CCN(CCC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006611541	0	59	0.0	-62.37	421.60	6.95	-55.42
CC(C)N1CC[NH+](CCC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006611541	1	59	0.0	-57.50	417.54	6.74	-50.76
CC(C)[NH+]1CCN(CCCC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006611542	0	62	0.0	-63.22	443.09	7.75	-55.47
CC(C)N1CC[NH+](CCCC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006611542	1	62	0.0	-61.68	439.04	7.54	-54.14
CC(C)(C)CC(CNC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300006611543	0	52	0.0	-46.96	370.66	8.60	-38.36
CC(C)(C)CC(CNC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300006611543	1	52	0.0	-47.32	372.59	8.67	-38.65
C[NH+](C)CCN1C=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=N1	REAL300006611545	0	51	0.0	-73.89	388.85	7.39	-66.50
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC2)=C1	REAL300006611552	0	63	0.0	-61.78	458.74	9.90	-51.88
CC(C)(C)CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006611554	0	60	0.0	-61.79	437.33	9.23	-52.56
CC(C)(C)CC(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006611557	0	57	0.0	-62.53	421.92	9.19	-53.34
CC(C)(C)CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006611557	1	57	0.0	-63.59	424.05	9.16	-54.43
CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006611562	1	55	0.0	-52.13	400.98	10.32	-41.81
CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006611562	1	55	0.0	-50.72	397.54	10.54	-40.18
CC(C)(C)CC(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006611590	0	58	0.0	-64.95	430.92	11.00	-53.95
CC(C)(C)CC(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006611590	1	58	0.0	-64.60	432.90	11.05	-53.55
C[NH+](C)CCN1C=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=N1	REAL300006611605	0	51	0.0	-72.53	390.95	7.27	-65.26
C[NH+](C)CCN1N=CC=C1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611606	0	51	0.0	-58.67	381.46	7.31	-51.36
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611612	1	52	0.0	-53.89	392.20	8.98	-44.91
CC1C[N@H+](C)CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])O1	REAL300006611623	1	49	0.0	-64.62	355.17	7.10	-57.52
CC1C[N@@H+](C)CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])O1	REAL300006611623	1	49	0.0	-59.93	357.72	6.80	-53.13
CC(C)(C)CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006611629	0	58	0.0	-62.57	433.39	11.02	-51.55
CC(C)(C)CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006611629	1	58	0.0	-63.16	433.76	11.03	-52.13
CC(C)(C)CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300006611630	1	54	0.0	-45.38	400.16	8.30	-37.08
CC(C)(C)CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300006611630	1	54	0.0	-49.97	399.21	8.07	-41.90
CC(C[NH+]1CCOCC1)C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611635	0	52	0.0	-51.16	376.66	6.63	-44.53
CC(C)(C)CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300006611636	0	59	0.0	-61.91	435.06	8.65	-53.26
CC[N@@H+]1CCOC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006611658	1	49	0.0	-44.79	352.58	6.84	-37.95
CC[N@H+]1CCOC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006611658	1	49	0.0	-45.57	354.32	6.73	-38.84
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006611691	1	58	0.0	-67.99	423.78	9.21	-58.78
CC(C)(C)CC(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006611692	0	58	0.0	-58.04	409.20	9.76	-48.28
CC(C)(C)CC(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006611692	1	58	0.0	-57.88	412.32	9.64	-48.24
CC(C)(C)CC(CNC(=O)C12CCC[NH+](CCC1)C2)C(=O)[O-]	REAL300006611711	0	52	0.0	-63.99	365.47	8.02	-55.97
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611715	0	49	0.0	-48.10	354.50	3.84	-44.26
C[N@H+]1CC(O)CC1(C)C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611715	1	49	0.0	-46.42	351.26	3.94	-42.48
CC(C)(C)CC(CNC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300006611716	0	52	0.0	-47.64	374.17	8.72	-38.92
CC(C)(C)CC(CNC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300006611716	1	52	0.0	-47.85	371.97	8.70	-39.15
CC(C)(C)CC(CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300006611724	0	55	0.0	-49.03	382.59	7.06	-41.97
CC(C)[N@@H+]1CCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006611729	0	64	0.0	-63.81	453.23	9.64	-54.17
CC(C)[N@H+]1CCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006611729	1	64	0.0	-68.31	459.26	9.31	-59.00
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=N1	REAL300006611730	0	58	0.0	-67.83	410.68	8.11	-59.72
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=N1	REAL300006611730	1	58	0.0	-65.72	421.55	8.14	-57.58
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=C2)CC1	REAL300006611735	0	60	0.0	-66.35	443.09	8.68	-57.67
C[NH+]1CCN(CC2=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300006611736	0	60	0.0	-70.37	442.15	8.50	-61.87
CN1CC[NH+](CC2=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300006611736	1	60	0.0	-71.00	443.30	8.57	-62.43
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300006611737	0	61	0.0	-70.47	448.84	10.37	-60.10
CC(C)[NH+]1CCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006611744	0	54	0.0	-58.47	383.32	8.44	-50.03
CC(C)(C)CC(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300006611863	0	62	0.0	-73.70	458.47	8.43	-65.27
C[NH+](C)CC1=CC=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=C1	REAL300006611867	0	51	0.0	-69.81	384.46	9.26	-60.55
CC(C)(C)CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006611868	0	58	0.0	-59.09	427.39	10.96	-48.13
CC(C)(C)CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006611868	1	58	0.0	-59.13	427.35	10.96	-48.17
C#CC[NH+]1CCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006611936	0	50	0.0	-63.14	376.02	8.64	-54.50
CCC[N@@H+]1CCCCC1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611938	0	54	0.0	-50.34	378.11	8.60	-41.74
CCC[N@H+]1CCCCC1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611938	1	54	0.0	-53.03	377.59	8.61	-44.42
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611940	0	51	0.0	-55.32	375.38	9.62	-45.70
CC[NH+]1CCN(CCC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006611942	0	56	0.0	-62.73	405.52	6.33	-56.40
CCN1CC[NH+](CCC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006611942	1	56	0.0	-57.82	404.48	6.42	-51.40
CC(C)C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])[NH+]1CCCCC1	REAL300006611944	0	57	0.0	-51.06	392.29	9.69	-41.37
C[NH+](C)C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300006611945	1	51	0.0	-48.29	380.57	9.26	-39.03
CC(C)(C)CC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006611949	0	56	0.0	-55.41	418.87	7.19	-48.22
CC(C)(C)CC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006611949	1	56	0.0	-56.91	419.47	7.19	-49.72
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006611955	1	52	0.0	-53.47	391.69	8.92	-44.55
C[NH+](C)CC1=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])OC2=CC=CC=C21	REAL300006611956	0	54	0.0	-61.38	411.58	9.61	-51.77
CC(C)(C)CC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300006611961	0	55	0.0	-50.64	395.28	9.44	-41.20
CC(C)(C)CC(CNC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300006611961	1	55	0.0	-50.30	387.65	9.38	-40.92
CC(C)C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300006611989	1	61	0.0	-47.98	422.98	8.78	-39.20
CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])[NH+]1CCCCCC1	REAL300006611990	0	54	0.0	-48.37	377.28	8.59	-39.78
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=CC=C1N2	REAL300006612025	1	56	0.0	-75.89	419.20	9.69	-66.20
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=CC=C1N2	REAL300006612025	1	56	0.0	-75.63	419.41	9.67	-65.96
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])O1	REAL300006612083	0	54	0.0	-61.34	402.17	9.13	-52.21
CC(C)(C)CC(CNC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300006612084	0	54	0.0	-62.99	397.21	9.09	-53.90
CC1=CC=C(N2CCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])CC2)[NH+]=C1	REAL300006612086	1	57	0.0	-60.52	418.56	8.99	-51.53
C[N@H+](CC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300006612087	1	51	0.0	-55.05	382.92	9.36	-45.69
C[N@@H+](CC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300006612087	1	51	0.0	-54.92	382.91	9.36	-45.56
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300006612091	0	63	0.0	-71.79	452.43	9.62	-62.17
CC(C)(C)CC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006612106	1	46	0.0	-71.30	362.60	7.38	-63.92
C[NH+](C)CC1=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=NO1	REAL300006612135	1	47	0.0	-75.01	365.00	6.80	-68.21
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006612140	0	58	0.0	-61.09	425.08	10.98	-50.11
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006612140	1	58	0.0	-61.68	427.94	10.62	-51.06
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300006612164	0	59	0.0	-72.80	448.63	10.27	-62.53
C[NH+]1CCC(OCC(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006612181	0	52	0.0	-68.38	385.84	7.86	-60.52
CC(C)(C)CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300006612187	0	55	0.0	-64.71	409.44	9.61	-55.10
CC(C)(C)CC(CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300006612228	0	57	0.0	-59.78	416.86	9.17	-50.61
CC(C)(C)CC(CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300006612228	1	57	0.0	-56.42	417.12	8.99	-47.43
CCC[N@@H+]1CCCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006612371	0	54	0.0	-57.40	390.01	8.81	-48.59
CCC[N@H+]1CCCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006612371	1	54	0.0	-57.88	391.82	8.85	-49.03
CC(C)C[N@@H+]1CCCC1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006612404	0	54	0.0	-48.84	384.88	8.42	-40.42
CC(C)C[N@H+]1CCCC1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006612404	1	54	0.0	-50.20	380.50	9.04	-41.16
CC(C)(C)CC(CNC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300006612405	0	52	0.0	-51.90	376.49	5.13	-46.77
CC(C)(C)CC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300006612502	0	59	0.0	-52.72	436.00	11.26	-41.46
CC(C)(C)CC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300006612502	1	59	0.0	-64.04	432.88	11.45	-52.59
CC(C)(C)CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006612540	1	58	0.0	-55.63	418.06	11.03	-44.60
CC(C)(C)CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006612540	1	58	0.0	-57.58	421.79	10.77	-46.81
CC(C)[N@@H+]1CCCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006612628	0	54	0.0	-52.63	378.53	8.76	-43.87
CC(C)[N@H+]1CCCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006612628	1	54	0.0	-52.99	379.71	8.77	-44.22
C[N@@H+]1CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C(C(F)(F)F)C1	REAL300006612629	0	48	0.0	-52.58	369.85	7.57	-45.01
C[N@H+]1CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C(C(F)(F)F)C1	REAL300006612629	1	48	0.0	-53.18	363.63	7.28	-45.90
CC1=C(C)[NH+]=C(CCC(=O)NCC(CC(C)(C)C)C(=O)[O-])N1	REAL300006612655	1	49	0.0	-53.39	373.54	7.22	-46.17
C[NH+](C)CCC1=CC=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=C1	REAL300006613134	0	54	0.0	-72.54	406.90	10.10	-62.44
C[NH+](C)CCOC1=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300006613141	0	55	0.0	-70.31	414.21	9.04	-61.27
CC(C)(C)CC(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006613230	0	61	0.0	-61.64	445.95	11.71	-49.93
CC1C[N@H+](CC2=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C2)CCO1	REAL300006613232	1	59	0.0	-72.96	431.76	9.43	-63.53
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C2)CCO1	REAL300006613232	1	59	0.0	-72.09	431.76	9.43	-62.66
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(CC(C)(C)C)C(=O)[O-])CC1	REAL300006613277	0	54	0.0	-53.28	378.17	8.46	-44.82
CC(C)C[N@@H+]1CCCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006613344	0	57	0.0	-53.69	401.10	9.70	-43.99
CC(C)C[N@H+]1CCCC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006613344	1	57	0.0	-53.69	401.10	9.70	-43.99
CN(C)CC1=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])O1	REAL300006613350	0	48	0.0	-65.29	367.88	7.73	-57.56
C[NH+](C)CC1=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])O1	REAL300006613350	1	48	0.0	-65.29	367.88	7.73	-57.56
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006613356	0	57	0.0	-66.70	396.25	8.91	-57.79
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(CC(C)(C)C)C(=O)[O-])C1	REAL300006613356	1	57	0.0	-66.70	396.25	8.91	-57.79
CC(C)(C)CC(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300006613359	0	50	0.0	-49.71	359.66	9.20	-40.51
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006614404	0	57	0.0	-72.60	437.35	12.67	-59.93
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006614976	0	54	0.0	-61.67	414.34	11.59	-50.08
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006614976	1	54	0.0	-61.77	414.65	11.61	-50.16
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300006615833	0	51	0.0	-64.42	382.81	10.27	-54.15
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300006615859	0	48	0.0	-62.18	369.33	9.48	-52.70
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300006615859	1	48	0.0	-63.77	368.56	9.38	-54.39
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)CN21	REAL300006615865	1	49	0.0	-62.53	384.28	10.25	-52.28
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300006615866	0	57	0.0	-66.90	432.00	12.18	-54.72
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006615945	0	47	0.0	-58.97	354.85	8.94	-50.03
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006615945	1	47	0.0	-60.18	345.58	8.77	-51.41
CC(C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300006615946	1	52	0.0	-71.66	389.85	7.31	-64.35
C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006615987	0	47	0.0	-58.94	354.90	8.95	-49.99
C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006615987	1	47	0.0	-61.27	345.41	8.81	-52.46
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300006616071	0	47	0.0	-68.92	361.16	9.15	-59.77
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300006616100	0	42	0.0	-67.64	343.18	10.90	-56.74
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CCCCC1	REAL300006616135	0	56	0.0	-62.84	397.60	11.02	-51.82
C[N@H+](CCC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1CCCCC1	REAL300006616140	0	56	0.0	-67.71	414.99	11.07	-56.64
C[N@@H+](CCC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1CCCCC1	REAL300006616140	1	56	0.0	-64.29	411.29	10.92	-53.37
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616156	0	44	0.0	-62.54	342.59	8.48	-54.06
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616156	1	44	0.0	-60.66	332.82	7.93	-52.73
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300006616161	1	54	0.0	-65.67	425.67	12.11	-53.56
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300006616161	1	54	0.0	-63.94	423.27	12.09	-51.85
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300006616212	0	47	0.0	-68.92	361.16	9.15	-59.77
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300006616216	0	50	0.0	-71.51	406.26	10.12	-61.39
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300006616236	0	57	0.0	-56.18	410.33	11.07	-45.11
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300006616236	1	57	0.0	-56.66	410.80	11.13	-45.53
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300006616237	0	58	0.0	-64.40	421.82	9.61	-54.79
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616272	1	48	0.0	-66.89	387.85	10.40	-56.49
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1	REAL300006616273	1	54	0.0	-73.65	414.83	9.07	-64.58
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1)C(C)C	REAL300006616276	0	59	0.0	-69.27	431.04	12.01	-57.26
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1)C(C)C	REAL300006616276	1	59	0.0	-75.19	435.76	12.37	-62.82
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616279	0	44	0.0	-60.38	332.92	7.92	-52.46
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616279	1	44	0.0	-63.14	342.85	8.56	-54.58
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300006616288	0	44	0.0	-58.75	336.73	8.35	-50.40
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006616334	0	54	0.0	-68.79	419.73	11.88	-56.91
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006616334	1	54	0.0	-65.61	418.35	11.91	-53.70
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300006616335	0	55	0.0	-73.08	421.74	11.34	-61.74
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300006616359	0	58	0.0	-67.98	413.35	9.34	-58.64
CCC(C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)[NH+](CC)CC	REAL300006616363	0	52	0.0	-59.43	382.38	9.81	-49.62
CC(C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300006616365	0	53	0.0	-63.38	411.37	11.48	-51.90
CC(C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006616365	1	53	0.0	-64.47	412.81	11.54	-52.93
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=N1	REAL300006616398	0	49	0.0	-71.85	387.37	9.04	-62.81
CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616404	0	58	0.0	-69.74	439.22	11.67	-58.07
CC[N@H+](C)C(C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1=CC=CC=C1	REAL300006616405	0	53	0.0	-57.95	405.40	11.48	-46.47
CC[N@@H+](C)C(C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1=CC=CC=C1	REAL300006616405	1	53	0.0	-61.82	409.61	11.58	-50.24
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006616407	1	45	0.0	-62.36	343.21	7.67	-54.69
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006616407	1	45	0.0	-67.04	350.33	7.83	-59.21
CC[NH+](CC)C(C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1=CC=CC=C1	REAL300006616409	0	56	0.0	-59.06	416.75	11.66	-47.40
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616418	1	48	0.0	-61.75	382.34	10.22	-51.53
C[NH+](C)C(C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300006616423	1	50	0.0	-64.62	408.02	11.51	-53.11
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300006616436	0	54	0.0	-75.28	418.96	12.08	-63.20
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300006616443	0	57	0.0	-74.72	436.33	12.84	-61.88
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300006616448	0	47	0.0	-56.92	364.42	9.15	-47.77
C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616457	0	49	0.0	-72.28	381.92	9.61	-62.67
CC(C)C(C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)[NH+](C)C	REAL300006616466	0	49	0.0	-61.46	364.07	9.47	-51.99
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006616479	0	57	0.0	-62.40	425.89	12.47	-49.93
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006616479	1	57	0.0	-62.22	426.09	12.49	-49.73
CC1=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300006616481	1	48	0.0	-80.91	392.43	9.38	-71.53
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300006616489	0	57	0.0	-75.42	436.31	12.85	-62.57
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300006616503	1	50	0.0	-80.45	400.91	9.67	-70.78
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300006616504	0	53	0.0	-79.04	417.23	11.84	-67.20
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616515	1	46	0.0	-55.18	362.19	8.34	-46.84
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006616517	1	55	0.0	-66.29	426.96	11.35	-54.94
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006616517	1	55	0.0	-63.41	420.04	11.23	-52.18
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616526	0	46	0.0	-62.00	352.20	8.79	-53.21
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616526	1	46	0.0	-64.64	355.89	8.92	-55.72
C[N@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1CCC1	REAL300006616549	0	47	0.0	-62.93	362.88	9.47	-53.46
C[N@@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1CCC1	REAL300006616549	1	47	0.0	-60.16	359.19	9.35	-50.81
CC(C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)[NH+]1CCSCC1	REAL300006616574	1	48	0.0	-60.53	371.96	9.31	-51.22
C[N@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)CC(C)(C)C	REAL300006616580	0	52	0.0	-60.53	380.89	9.74	-50.79
C[N@@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)CC(C)(C)C	REAL300006616580	1	52	0.0	-59.88	382.92	9.83	-50.05
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616582	0	53	0.0	-68.55	415.67	11.92	-56.63
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616582	1	53	0.0	-66.00	412.10	11.80	-54.20
COCCOCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616583	0	57	0.0	-68.97	444.75	8.09	-60.88
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006616583	1	57	0.0	-66.75	441.55	8.03	-58.72
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CC(C)(C)[NH2+]CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006617213	0	46	0.0	-60.41	351.82	7.06	-53.35
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C[N@@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006617219	1	50	0.0	-64.72	389.71	10.96	-53.76
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CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006617280	1	57	0.0	-67.68	435.01	12.31	-55.37
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006617294	0	50	0.0	-58.13	371.86	9.51	-48.62
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006617294	1	50	0.0	-60.15	374.91	9.51	-50.64
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300006617316	0	51	0.0	-74.98	396.53	9.57	-65.41
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CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006617511	0	53	0.0	-60.20	390.82	10.63	-49.57
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006617511	1	53	0.0	-63.66	394.15	10.72	-52.94
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006617542	0	53	0.0	-61.45	401.48	10.66	-50.79
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006617542	1	53	0.0	-58.16	397.62	10.52	-47.64
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C1	REAL300006617543	0	51	0.0	-67.00	390.09	6.66	-60.34
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006617771	0	53	0.0	-59.21	385.57	10.37	-48.84
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006617771	1	53	0.0	-59.06	385.99	10.40	-48.66
C[N@@H+]1CC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006617772	0	47	0.0	-66.81	373.71	9.03	-57.78
C[N@H+]1CC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006617772	1	47	0.0	-67.52	370.12	8.92	-58.60
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)N1	REAL300006617797	1	48	0.0	-63.02	386.80	8.78	-54.24
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300006618281	0	53	0.0	-75.87	413.60	11.71	-64.16
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300006618288	0	54	0.0	-75.48	424.55	10.77	-64.71
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006618428	0	47	0.0	-65.79	362.92	9.12	-56.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300006618432	0	53	0.0	-69.25	388.91	10.18	-59.07
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CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006618498	0	56	0.0	-63.60	411.50	11.39	-52.21
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006618498	1	56	0.0	-60.33	405.13	11.25	-49.08
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006618499	0	50	0.0	-66.90	378.79	9.76	-57.14
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006618499	1	50	0.0	-62.82	372.57	9.98	-52.84
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006618504	0	47	0.0	-65.96	357.52	9.00	-56.96
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006618504	1	47	0.0	-61.43	351.27	9.21	-52.22
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)O1	REAL300006618506	1	47	0.0	-68.57	377.44	9.15	-59.42
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006618512	0	56	0.0	-74.00	398.92	10.16	-63.84
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300006618512	1	56	0.0	-69.58	402.86	10.45	-59.13
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CC(C(=O)NCC1(C(=O)[O-])CC2CCC1C2)N1CC[NH+](C)CC1	REAL300006621894	1	52	0.0	-66.66	368.04	6.05	-60.61
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300006621981	0	60	0.0	-72.77	448.96	10.95	-61.82
CC1(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006621994	0	60	0.0	-56.09	428.54	11.87	-44.22
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CC[N@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C=C1)C(C)C	REAL300006622229	0	59	0.0	-70.63	417.81	11.13	-59.50
CC[N@@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C=C1)C(C)C	REAL300006622229	1	59	0.0	-69.28	412.49	10.87	-58.41
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CCC(C(=O)NCC1(C(=O)[O-])CC2CCC1C2)[NH+](CC)CC	REAL300006622288	0	52	0.0	-50.60	359.81	8.65	-41.95
CC(C(=O)NCC1(C(=O)[O-])CC2CCC1C2)[N@H+](C)CC1=CC=CC=C1	REAL300006622290	0	53	0.0	-53.46	389.82	10.19	-43.27
CC(C(=O)NCC1(C(=O)[O-])CC2CCC1C2)[N@@H+](C)CC1=CC=CC=C1	REAL300006622290	1	53	0.0	-52.77	389.67	10.23	-42.54
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CCC[NH+](CCC)CCCC(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006622337	0	58	0.0	-63.63	417.35	10.40	-53.23
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CC[N@H+](C)C(C(=O)NCC1(C(=O)[O-])CC2CCC1C2)C1=CC=CC=C1	REAL300006622339	0	53	0.0	-54.00	387.31	10.37	-43.63
CC[N@@H+](C)C(C(=O)NCC1(C(=O)[O-])CC2CCC1C2)C1=CC=CC=C1	REAL300006622339	1	53	0.0	-56.24	381.87	10.19	-46.05
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C[N@H+](CC(=O)NCC1(C(=O)[O-])CC2CCC1C2)CC1=CC=CC=C1	REAL300006623176	1	50	0.0	-57.63	371.55	9.79	-47.84
C[N@@H+](CC(=O)NCC1(C(=O)[O-])CC2CCC1C2)CC1=CC=CC=C1	REAL300006623176	1	50	0.0	-57.66	371.50	9.80	-47.86
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3(C(=O)[O-])CC4CCC3C4)C=C2)CC1	REAL300006623180	0	62	0.0	-73.07	440.97	10.06	-63.01
O=C([O-])C1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC2CCC1C2	REAL300006623199	1	45	0.0	-74.26	354.09	7.66	-66.60
C[NH+](C)CC1=CC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)=NO1	REAL300006623231	1	46	0.0	-77.91	353.01	7.17	-70.74
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006623235	0	57	0.0	-64.58	418.39	11.15	-53.43
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006623235	1	57	0.0	-60.24	413.21	11.34	-48.90
CC(C)[N@@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006623254	0	50	0.0	-48.93	347.66	8.44	-40.49
CC(C)[N@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006623254	1	50	0.0	-52.14	353.80	8.30	-43.84
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300006623261	0	58	0.0	-75.26	437.39	10.66	-64.60
C[NH+]1CCC(OCC(=O)NCC2(C(=O)[O-])CC3CCC2C3)CC1	REAL300006623282	0	51	0.0	-70.71	374.85	8.29	-62.42
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC2CCC1C2	REAL300006623287	0	54	0.0	-67.94	399.87	9.79	-58.15
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2(C(=O)[O-])CC3CCC2C3)[C@@H](C(F)(F)F)C1	REAL300006623332	0	56	0.0	-54.05	408.78	9.42	-44.63
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2(C(=O)[O-])CC3CCC2C3)[C@@H](C(F)(F)F)C1	REAL300006623332	1	56	0.0	-48.36	404.17	9.50	-38.86
CCC[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C1	REAL300006623484	0	53	0.0	-61.69	378.56	9.25	-52.44
CCC[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C1	REAL300006623484	1	53	0.0	-58.04	374.93	9.36	-48.68
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006623517	0	53	0.0	-52.85	380.10	9.40	-43.45
CC(C)C[N@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006623517	1	53	0.0	-55.20	373.44	8.85	-46.35
O=C([O-])C1(CNC(=O)C[NH+]2CCC(CO)CC2)CC2CCC1C2	REAL300006623518	1	51	0.0	-55.77	368.60	5.40	-50.37
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC2CCC1C2	REAL300006623620	0	58	0.0	-66.70	423.46	11.57	-55.13
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC2CCC1C2	REAL300006623620	1	58	0.0	-66.91	424.44	11.73	-55.18
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC2CCC1C2	REAL300006623661	1	57	0.0	-48.77	420.19	11.41	-37.36
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC2CCC1C2	REAL300006623661	1	57	0.0	-54.10	410.64	11.24	-42.86
CC(C)[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C1	REAL300006623758	0	53	0.0	-51.45	364.78	9.16	-42.29
CC(C)[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C1	REAL300006623758	1	53	0.0	-58.41	373.80	9.00	-49.41
C[N@@H+]1CC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C(C(F)(F)F)C1	REAL300006623759	0	47	0.0	-55.93	356.06	7.90	-48.03
C[N@H+]1CC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C(C(F)(F)F)C1	REAL300006623759	1	47	0.0	-50.70	348.73	7.84	-42.86
CC1=C(C)[NH+]=C(CCC(=O)NCC2(C(=O)[O-])CC3CCC2C3)N1	REAL300006623783	1	48	0.0	-56.35	365.03	7.50	-48.85
C[NH+](C)CCC1=CC=CC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300006624288	0	53	0.0	-75.71	395.44	10.53	-65.18
C[NH+](C)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300006624296	0	54	0.0	-73.67	402.84	9.48	-64.19
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006624397	0	60	0.0	-66.50	434.60	12.14	-54.36
CC1CN(CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC4CCC3C4)C=C2)CCO1	REAL300006624399	0	58	0.0	-75.68	420.29	9.87	-65.81
CC1C[N@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC4CCC3C4)C=C2)CCO1	REAL300006624399	1	58	0.0	-75.75	416.82	9.89	-65.86
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC4CCC3C4)C=C2)CCO1	REAL300006624399	1	58	0.0	-75.75	416.82	9.89	-65.86
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(C(=O)[O-])CC3CCC2C3)CC1	REAL300006624446	0	53	0.0	-55.33	367.40	8.88	-46.45
CC1=[NH+]C=C2C=CC(C(=O)NCC3(C(=O)[O-])CC4CCC3C4)=CN21	REAL300006624450	0	45	0.0	-60.74	346.47	9.48	-51.26
CC(C)C[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C1	REAL300006624514	0	56	0.0	-57.27	389.76	9.97	-47.30
CC(C)C[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C1	REAL300006624514	1	56	0.0	-56.32	389.84	10.11	-46.21
CC[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C1	REAL300006624515	0	50	0.0	-56.31	353.44	8.62	-47.69
CC[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C1	REAL300006624515	1	50	0.0	-54.77	350.77	8.70	-46.07
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)O1	REAL300006624521	1	47	0.0	-70.54	359.39	8.02	-62.52
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C1	REAL300006624527	0	56	0.0	-69.82	382.30	9.20	-60.62
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C1	REAL300006624527	1	56	0.0	-68.99	381.25	9.37	-59.62
O=C([O-])C1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CC2CCC1C2	REAL300006624530	1	49	0.0	-52.98	349.00	9.30	-43.68
O=C([O-])C1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2(CC2)C1	REAL300006625621	0	54	0.0	-75.64	400.33	12.04	-63.60
O=C([O-])C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C2(CC2)C1	REAL300006626958	0	48	0.0	-68.82	352.20	9.83	-58.99
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(=O)[O-])CC34CC4)CN12	REAL300006626979	1	46	0.0	-62.66	345.92	9.38	-53.28
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C(=O)[O-])CC34CC4)CC2)=CS1	REAL300006627042	1	53	0.0	-74.14	406.89	9.75	-64.39
CC(C(=O)N1CCC(C(=O)[O-])CC12CC2)N1CC[NH+](C)CC1	REAL300006627043	1	49	0.0	-69.81	346.96	6.37	-63.44
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])CC23CC3)C=C1	REAL300006627113	0	57	0.0	-73.24	433.87	11.65	-61.59
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])CC23CC3)=C1	REAL300006627118	0	57	0.0	-74.48	434.18	13.59	-60.89
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])CC23CC3)=C1	REAL300006627118	1	57	0.0	-73.98	434.08	13.60	-60.38
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])CC23CC3)CCCCC1	REAL300006627191	0	53	0.0	-74.67	354.33	9.83	-64.84
C[N@H+](CCC(=O)N1CCC(C(=O)[O-])CC12CC2)C1CCCCC1	REAL300006627194	0	53	0.0	-70.05	377.72	10.45	-59.60
C[N@@H+](CCC(=O)N1CCC(C(=O)[O-])CC12CC2)C1CCCCC1	REAL300006627194	1	53	0.0	-70.72	378.29	10.49	-60.23
O=C([O-])C1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C2(CC2)C1	REAL300006627256	0	47	0.0	-73.30	367.02	9.11	-64.19
O=C([O-])C1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C2(CC2)C1	REAL300006627273	0	55	0.0	-73.80	390.88	8.97	-64.83
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(=O)[O-])CC12CC2	REAL300006627300	1	45	0.0	-66.94	350.85	9.79	-57.15
O=C([O-])C1CCN(C(=O)CCCC[NH+]2CCOCC2)C2(CC2)C1	REAL300006627301	1	51	0.0	-72.99	377.64	8.45	-64.54
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC23CC3)C=C1)C(C)C	REAL300006627302	0	56	0.0	-73.06	403.31	11.57	-61.49
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC23CC3)C=C1)C(C)C	REAL300006627302	1	56	0.0	-73.00	395.01	11.16	-61.84
O=C([O-])C1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C2(CC2)C1	REAL300006627320	0	51	0.0	-72.02	380.77	11.16	-60.86
O=C([O-])C1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C2(CC2)C1	REAL300006627320	1	51	0.0	-72.43	380.05	11.18	-61.25
O=C([O-])C1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C2(CC2)C1	REAL300006627321	0	52	0.0	-77.19	382.77	10.61	-66.58
O=C([O-])C1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C2(CC2)C1	REAL300006627350	0	55	0.0	-70.51	376.30	8.81	-61.70
CC(C(=O)N1CCC(C(=O)[O-])CC12CC2)[N@H+](C)CC1=CC=CC=C1	REAL300006627353	0	50	0.0	-63.70	373.10	10.77	-52.93
CC(C(=O)N1CCC(C(=O)[O-])CC12CC2)[N@@H+](C)CC1=CC=CC=C1	REAL300006627353	1	50	0.0	-67.59	372.33	10.79	-56.80
O=C([O-])C1CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C2(CC2)C1	REAL300006627361	0	57	0.0	-68.66	414.17	12.93	-55.73
O=C([O-])C1CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C2(CC2)C1	REAL300006627361	1	57	0.0	-72.66	422.25	12.75	-59.91
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC23CC3)C=N1	REAL300006627377	0	46	0.0	-73.91	351.96	8.10	-65.81
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])CC12CC2	REAL300006627384	0	55	0.0	-70.09	397.49	10.77	-59.32
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])CC12CC2	REAL300006627391	1	45	0.0	-62.63	345.63	9.57	-53.06
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C2(CC2)C1	REAL300006627404	0	51	0.0	-75.55	382.79	11.18	-64.37
O=C([O-])C1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C2(CC2)C1	REAL300006627409	0	54	0.0	-72.24	397.73	11.90	-60.34
CCC(C(=O)N1CCC(C(=O)[O-])CC12CC2)[N@@H+]1CCOC(CC)C1	REAL300006627412	1	54	0.0	-63.52	385.51	9.01	-54.51
CCC(C(=O)N1CCC(C(=O)[O-])CC12CC2)[N@H+]1CCOC(CC)C1	REAL300006627412	1	54	0.0	-64.63	386.11	9.06	-55.57
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C(=O)[O-])CC34CC4)CC2)CC1	REAL300006627415	0	62	0.0	-73.23	432.94	9.63	-63.60
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC34CC4)C=C2)CC(C)O1	REAL300006627422	1	58	0.0	-80.45	430.92	10.93	-69.52
O=C([O-])C1CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C2(CC2)C1	REAL300006627433	1	55	0.0	-79.54	406.29	11.29	-68.25
O=C([O-])C1CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C2(CC2)C1	REAL300006627433	1	55	0.0	-76.66	414.23	11.32	-65.34
CC1=C(C(=O)N2CCC(C(=O)[O-])CC23CC3)C=NN1C1=CC=[NH+]C=C1	REAL300006627448	1	45	0.0	-74.83	352.66	8.35	-66.48
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C2(CC2)C1	REAL300006627451	0	54	0.0	-75.99	399.54	11.89	-64.10
O=C([O-])C1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C2(CC2)C1	REAL300006627462	1	47	0.0	-76.36	359.53	9.22	-67.14
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC23CC3)C=C1	REAL300006627463	0	50	0.0	-77.50	380.47	10.87	-66.63
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(=O)[O-])CC12CC2	REAL300006627468	1	43	0.0	-59.24	330.96	7.37	-51.87
CC(C(=O)N1CCC(C(=O)[O-])CC12CC2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006627479	0	60	0.0	-66.18	428.72	13.00	-53.18
CC(C(=O)N1CCC(C(=O)[O-])CC12CC2)[NH+]1CCSCC1	REAL300006627508	1	45	0.0	-65.51	329.94	8.45	-57.06
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])CC12CC2	REAL300006627515	0	50	0.0	-71.66	377.91	11.29	-60.37
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])CC12CC2	REAL300006627515	1	50	0.0	-70.87	378.49	11.25	-59.62
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])CC12CC2	REAL300006627516	0	54	0.0	-70.26	407.35	7.49	-62.77
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])CC12CC2	REAL300006627516	1	54	0.0	-71.53	408.06	7.53	-64.00
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])CC23CC3)C1	REAL300006627519	0	48	0.0	-68.85	346.18	7.23	-61.62
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])CC23CC3)C1	REAL300006627519	1	48	0.0	-68.48	337.12	7.00	-61.48
O=C([O-])C1CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C2(CC2)C1	REAL300006627526	0	59	0.0	-74.91	433.10	10.95	-63.96
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])CC12CC2	REAL300006627528	0	52	0.0	-69.16	382.50	10.62	-58.54
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])CC12CC2	REAL300006627528	1	52	0.0	-68.29	383.08	10.55	-57.74
C[N@H+](CC(=O)N1CCC(C(=O)[O-])CC12CC2)C1CCSC1	REAL300006627553	0	45	0.0	-71.71	339.37	9.08	-62.63
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC12CC2)C1CCSC1	REAL300006627553	1	45	0.0	-71.54	338.05	9.11	-62.43
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])CC23CC3)CC1	REAL300006627566	0	55	0.0	-68.04	395.20	8.06	-59.98
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])CC23CC3)CC1	REAL300006627567	0	58	0.0	-66.89	411.04	8.46	-58.43
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])CC23CC3)CC1	REAL300006627567	1	58	0.0	-70.43	412.47	8.62	-61.81
O=C([O-])C1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C2(CC2)C1	REAL300006627568	0	48	0.0	-67.07	331.02	9.37	-57.70
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O=C([O-])C12CCC(CC1)CN2C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006636809	0	58	0.0	-93.82	424.10	10.01	-83.81
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)=C1	REAL300006636813	0	47	0.0	-90.44	347.30	10.98	-79.46
O=C([O-])C12CCC(CC1)CN2C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006636814	0	54	0.0	-67.81	380.92	12.73	-55.08
O=C([O-])C12CCC(CC1)CN2C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006636814	1	54	0.0	-67.85	380.49	12.73	-55.12
C#CC[NH+]1CCC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)CC1	REAL300006636860	0	46	0.0	-87.57	338.64	10.39	-77.18
CC[NH+]1CCN(CCC(=O)N2CC3CCC2(C(=O)[O-])CC3)CC1	REAL300006636863	0	52	0.0	-86.12	369.14	8.37	-77.75
CCN1CC[NH+](CCC(=O)N2CC3CCC2(C(=O)[O-])CC3)CC1	REAL300006636863	1	52	0.0	-76.74	369.64	8.39	-68.35
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2CCC1(C(=O)[O-])CC2	REAL300006636870	1	48	0.0	-72.57	356.73	10.99	-61.58
CC(C(=O)N1CC2CCC1(C(=O)[O-])CC2)[NH+]1CCCCCC1	REAL300006636899	0	50	0.0	-58.51	337.37	9.94	-48.57
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CCC3(C(=O)[O-])CC4)=CC=C1N2	REAL300006636931	1	52	0.0	-93.76	381.08	11.07	-82.69
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CCC3(C(=O)[O-])CC4)=CC=C1N2	REAL300006636931	1	52	0.0	-114.02	377.61	11.01	-103.01
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3CCC2(C(=O)[O-])CC3)O1	REAL300006636975	0	50	0.0	-94.72	366.84	11.01	-83.71
O=C([O-])C12CCC(CC1)CN2C(=O)CCCC[NH+]1CCCC1	REAL300006636976	0	50	0.0	-84.08	362.36	11.06	-73.02
CC1=CC=C(N2CCC(C(=O)N3CC4CCC3(C(=O)[O-])CC4)CC2)[NH+]=C1	REAL300006636978	1	53	0.0	-87.16	383.17	10.65	-76.51
C[N@H+](CC(=O)N1CC2CCC1(C(=O)[O-])CC2)CC1=CC=CC=C1	REAL300006636979	1	47	0.0	-73.08	347.92	11.28	-61.80
C[N@@H+](CC(=O)N1CC2CCC1(C(=O)[O-])CC2)CC1=CC=CC=C1	REAL300006636979	1	47	0.0	-72.60	347.74	11.19	-61.41
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4CCC3(C(=O)[O-])CC4)C=C2)CC1	REAL300006636983	0	59	0.0	-99.68	416.74	11.33	-88.35
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006636994	1	42	0.0	-90.93	323.38	8.83	-82.10
C[NH+](C)CC1=CC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)=NO1	REAL300006637016	1	43	0.0	-89.39	325.43	8.91	-80.48
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CCC1(C(=O)[O-])CC2	REAL300006637022	0	54	0.0	-77.30	389.04	12.69	-64.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CCC1(C(=O)[O-])CC2	REAL300006637022	1	54	0.0	-88.16	392.62	12.63	-75.53
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3CCC2(C(=O)[O-])CC3)C=C1	REAL300006637045	0	55	0.0	-100.64	412.26	12.24	-88.40
C[NH+]1CCC(OCC(=O)N2CC3CCC2(C(=O)[O-])CC3)CC1	REAL300006637057	0	48	0.0	-93.54	350.86	9.42	-84.12
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006637063	0	51	0.0	-95.76	372.50	11.44	-84.32
CCC[N@@H+]1CCCC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C1	REAL300006637200	0	50	0.0	-79.00	353.16	10.58	-68.42
CCC[N@H+]1CCCC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C1	REAL300006637200	1	50	0.0	-78.49	353.65	10.58	-67.91
O=C([O-])C12CCC(CC1)CN2C(=O)C[NH+]1CCC(CO)CC1	REAL300006637229	0	48	0.0	-67.78	343.25	6.53	-61.25
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C1	REAL300006637399	0	50	0.0	-63.12	338.23	10.33	-52.79
CC(C)[N@H+]1CCCC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C1	REAL300006637399	1	50	0.0	-62.78	338.76	10.34	-52.44
C[N@@H+]1CC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C(C(F)(F)F)C1	REAL300006637400	0	44	0.0	-87.65	316.88	9.27	-78.38
C[N@H+]1CC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C(C(F)(F)F)C1	REAL300006637400	1	44	0.0	-78.94	318.86	8.87	-70.07
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CCC2(C(=O)[O-])CC3)N1	REAL300006637424	1	45	0.0	-73.06	341.38	9.08	-63.98
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)=C1	REAL300006637798	0	50	0.0	-90.63	369.80	11.81	-78.82
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C=C1	REAL300006637804	0	51	0.0	-90.52	380.66	10.60	-79.92
O=C([O-])C12CCC(CC1)CN2C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006637887	0	57	0.0	-76.35	410.97	13.66	-62.69
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4CCC3(C(=O)[O-])CC4)C=C2)CCO1	REAL300006637889	1	55	0.0	-103.09	394.68	11.16	-91.93
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4CCC3(C(=O)[O-])CC4)C=C2)CCO1	REAL300006637889	1	55	0.0	-92.81	397.90	10.99	-81.82
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CCC2(C(=O)[O-])CC3)CC1	REAL300006637915	0	50	0.0	-68.98	338.41	10.05	-58.93
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CCC3(C(=O)[O-])CC4)=CN21	REAL300006637920	0	42	0.0	-71.50	323.76	10.57	-60.93
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C1	REAL300006637968	0	53	0.0	-79.08	370.06	11.23	-67.85
CC(C)C[N@H+]1CCCC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C1	REAL300006637968	1	53	0.0	-77.07	370.07	11.33	-65.74
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC2(C(=O)[O-])CC3)O1	REAL300006637973	1	44	0.0	-97.32	330.91	9.56	-87.76
O=C([O-])C12CCC(CC1)CN2C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006637980	0	46	0.0	-80.13	327.59	10.37	-69.76
O=C([O-])C12CCC(CC1)CN2C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006637980	1	46	0.0	-81.37	321.40	10.44	-70.93
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006638876	0	57	0.0	-76.86	419.89	13.90	-62.96
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006640032	0	51	0.0	-71.40	369.23	12.05	-59.35
CC1=[NH+]C=C2CCC(C(=O)N3CC4=CC=CC=C4C[C@H]3CC(=O)[O-])CN12	REAL300006640057	1	49	0.0	-61.22	368.76	11.88	-49.34
CC(C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])N1CC[NH+](C)CC1	REAL300006640122	1	52	0.0	-65.03	369.07	8.58	-56.45
C[N@@H+]1CCCC[C@H]1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640154	0	47	0.0	-49.38	338.39	10.45	-38.93
C[N@H+]1CCCC[C@H]1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640154	1	47	0.0	-51.10	329.48	10.04	-41.06
C[NH+]1CCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006640221	0	47	0.0	-76.89	343.41	10.33	-66.56
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006640247	0	42	0.0	-74.82	329.22	12.55	-62.27
C[NH+](C)CC1(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CCCCC1	REAL300006640276	0	56	0.0	-75.68	373.30	11.98	-63.70
C[N@H+](CCC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])C1CCCCC1	REAL300006640280	0	56	0.0	-64.93	400.51	12.76	-52.17
C[N@@H+](CCC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])C1CCCCC1	REAL300006640280	1	56	0.0	-78.45	401.37	12.08	-66.37
C[N@@H+]1CCCC1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640292	0	44	0.0	-52.50	326.19	9.90	-42.60
C[N@H+]1CCCC1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640292	1	44	0.0	-70.30	326.74	9.30	-61.00
C[NH+]1CCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006640338	0	47	0.0	-76.89	343.41	10.33	-66.56
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006640341	0	50	0.0	-88.18	388.61	11.59	-76.59
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006640352	0	58	0.0	-67.13	403.40	10.87	-56.26
CC1=[NH+]C=CN1CCCC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640383	1	48	0.0	-74.68	373.94	11.34	-63.34
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CCCC[NH+]1CCOCC1	REAL300006640384	1	54	0.0	-76.18	400.34	11.10	-65.08
CC[N@H+](CC1=CC=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C=C1)C(C)C	REAL300006640386	0	59	0.0	-85.01	421.32	14.13	-70.88
CC[N@@H+](CC1=CC=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C=C1)C(C)C	REAL300006640386	1	59	0.0	-85.52	417.31	13.72	-71.80
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640389	0	44	0.0	-72.27	322.07	8.91	-63.36
C[N@H+]1CCC[C@@H]1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640389	1	44	0.0	-58.80	323.90	10.25	-48.55
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006640426	0	54	0.0	-62.53	403.24	13.59	-48.94
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006640426	1	54	0.0	-63.93	404.55	13.53	-50.40
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006640427	0	55	0.0	-82.49	402.12	13.07	-69.42
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006640451	0	58	0.0	-68.28	397.36	11.04	-57.24
CCC(C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])[NH+](CC)CC	REAL300006640455	0	52	0.0	-64.58	363.64	10.57	-54.01
CC(C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006640457	0	53	0.0	-73.44	394.41	12.29	-61.15
CC(C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006640457	1	53	0.0	-55.55	390.54	12.92	-42.63
C[NH+](C)CC1=CC=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C=N1	REAL300006640477	0	49	0.0	-84.44	373.11	10.99	-73.45
CCC[NH+](CCC)CCCC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640481	0	58	0.0	-70.07	424.04	13.71	-56.36
C[N@@H+]1CCOC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006640483	1	45	0.0	-77.79	328.49	8.30	-69.49
C[N@H+]1CCOC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006640483	1	45	0.0	-69.55	328.16	8.85	-60.70
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640490	1	48	0.0	-68.04	368.69	11.12	-56.92
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006640505	0	54	0.0	-86.84	402.19	13.49	-73.35
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006640510	0	57	0.0	-75.19	418.60	14.05	-61.14
C[NH+](C)CC1(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006640514	0	47	0.0	-72.14	349.70	11.09	-61.05
C[NH+](C)CCCCC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640522	0	49	0.0	-80.73	368.34	10.56	-70.17
CC1=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006640543	1	48	0.0	-83.97	374.02	10.95	-73.02
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006640546	0	57	0.0	-84.90	418.90	14.19	-70.71
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006640558	1	50	0.0	-78.46	383.55	11.69	-66.77
C[NH+](C)CCC1=CC=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C=C1	REAL300006640559	0	53	0.0	-93.18	399.75	13.46	-79.72
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640564	1	46	0.0	-60.11	352.99	9.80	-50.31
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006640565	1	55	0.0	-61.07	402.33	12.58	-48.49
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006640565	1	55	0.0	-72.79	411.99	12.64	-60.15
CCC[N@H+](C)CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640572	0	46	0.0	-73.00	342.18	9.79	-63.21
CCC[N@@H+](C)CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640572	1	46	0.0	-58.78	341.26	10.73	-48.05
C[N@H+](CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])C1CCC1	REAL300006640586	0	47	0.0	-69.93	349.03	10.36	-59.57
C[N@@H+](CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])C1CCC1	REAL300006640586	1	47	0.0	-70.61	349.18	10.38	-60.23
CC(C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])[NH+]1CCSCC1	REAL300006640608	1	48	0.0	-72.04	360.14	10.34	-61.70
C[N@H+](CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])CC(C)(C)C	REAL300006640614	0	52	0.0	-73.08	370.30	10.80	-62.28
C[N@@H+](CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])CC(C)(C)C	REAL300006640614	1	52	0.0	-57.85	372.35	11.89	-45.96
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640616	0	53	0.0	-75.92	402.09	12.83	-63.09
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640616	1	53	0.0	-75.99	401.95	12.81	-63.18
COCCOCC[N@H+](C)CCC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640617	0	57	0.0	-63.52	430.24	9.81	-53.71
COCCOCC[N@@H+](C)CCC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640617	1	57	0.0	-67.78	430.27	9.80	-57.98
CC[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])[NH+](C)C	REAL300006640620	0	46	0.0	-68.63	330.08	9.28	-59.35
C[N@@H+]1CCCC(O)(CC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006640622	0	51	0.0	-66.22	369.55	9.19	-57.03
C[N@H+]1CCCC(O)(CC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006640622	1	51	0.0	-68.54	359.78	9.19	-59.35
CCCCCC[N@H+](C)CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640633	0	55	0.0	-74.33	406.68	12.13	-62.20
CCCCCC[N@@H+](C)CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640633	1	55	0.0	-74.47	406.54	12.13	-62.34
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006640647	1	42	0.0	-82.72	329.46	12.55	-70.17
C[N@H+](CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])C1CCSC1	REAL300006640657	0	48	0.0	-62.80	362.71	11.56	-51.24
C[N@@H+](CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])C1CCSC1	REAL300006640657	1	48	0.0	-62.34	361.31	11.57	-50.77
CC(C)[NH+]1CCN(CCC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006640671	0	58	0.0	-78.34	418.28	9.62	-68.72
CC(C)N1CC[NH+](CCC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006640671	1	58	0.0	-78.01	414.82	9.41	-68.60
CC(C)[NH+]1CCN(CCCC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006640672	0	61	0.0	-72.15	438.92	11.48	-60.67
CC(C)N1CC[NH+](CCCC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006640672	1	61	0.0	-69.97	435.42	11.28	-58.69
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300006640673	0	51	0.0	-53.56	353.78	11.18	-42.38
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300006640673	1	51	0.0	-55.54	348.65	10.91	-44.63
C[NH+](C)CCN1C=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C=N1	REAL300006640675	0	50	0.0	-84.48	382.18	10.65	-73.83
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006640680	0	56	0.0	-78.79	408.25	11.72	-67.07
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006640680	1	56	0.0	-62.45	408.43	12.57	-49.88
CC(C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006640685	0	54	0.0	-73.52	393.94	12.64	-60.88
CC(C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006640685	1	54	0.0	-58.11	392.97	13.53	-44.58
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006640700	0	57	0.0	-83.40	427.95	13.65	-69.75
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006640700	1	57	0.0	-83.44	428.43	13.68	-69.76
C[NH+](C)CCN1C=CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])=N1	REAL300006640713	0	50	0.0	-96.19	383.75	11.09	-85.10
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640714	0	50	0.0	-62.30	377.71	10.57	-51.73
C[C@@H]1[C@H](C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC[N@@H+]1C	REAL300006640716	0	47	0.0	-63.77	329.40	10.20	-53.57
C[C@@H]1[C@H](C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC[N@H+]1C	REAL300006640716	1	47	0.0	-62.13	334.75	10.17	-51.96
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640717	1	51	0.0	-70.46	388.77	11.65	-58.81
CC[C@@H]1[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC[N@@H+]1C	REAL300006640720	0	50	0.0	-79.59	355.20	9.89	-69.70
CC[C@@H]1[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC[N@H+]1C	REAL300006640720	1	50	0.0	-75.89	359.49	10.34	-65.55
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])=NN1	REAL300006640722	1	51	0.0	-83.46	384.75	10.59	-72.87
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])=NN1	REAL300006640722	1	51	0.0	-83.08	379.48	10.23	-72.85
CC1C[N@H+](C)CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])O1	REAL300006640727	1	48	0.0	-90.92	357.38	9.21	-81.71
CC1C[N@@H+](C)CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])O1	REAL300006640727	1	48	0.0	-82.01	348.44	9.52	-72.49
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C[NH+]1CCCC1	REAL300006640733	0	44	0.0	-55.43	326.29	10.15	-45.28
CC1=[NH+]C=CN1CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640735	1	42	0.0	-58.63	331.37	11.06	-47.57
CC(C[NH+]1CCOCC1)C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640737	1	51	0.0	-67.62	368.92	9.80	-57.82
CC1CC[NH+](CC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006640754	0	50	0.0	-73.79	365.38	10.87	-62.92
CC[N@@H+]1CCOC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006640765	1	48	0.0	-56.42	343.42	9.63	-46.79
CC[N@H+]1CCOC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006640765	1	48	0.0	-88.16	353.28	9.11	-79.05
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006640795	0	57	0.0	-62.34	406.96	12.98	-49.36
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006640795	1	57	0.0	-75.71	404.76	12.20	-63.51
C[N@@H+]1CCCC1CCC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640801	0	50	0.0	-75.91	364.36	10.46	-65.45
C[N@H+]1CCCC1CCC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640801	1	50	0.0	-81.57	366.56	10.82	-70.75
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300006640812	0	51	0.0	-68.08	368.35	11.19	-56.89
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300006640812	1	51	0.0	-56.61	366.42	12.23	-44.38
CC[NH+](CC)CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640832	0	46	0.0	-55.09	337.35	10.46	-44.63
CC(C)[NH+]1CCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006640834	0	53	0.0	-74.03	373.50	11.84	-62.19
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C12CC[NH+](CC1)C2	REAL300006640900	0	45	0.0	-71.46	325.86	9.46	-62.00
CCC(C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])[NH+](C)C	REAL300006640903	0	46	0.0	-72.13	332.89	9.42	-62.71
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300006640910	0	48	0.0	-71.37	335.30	10.07	-61.30
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300006640910	1	48	0.0	-69.14	336.44	10.01	-59.13
CC1CCC(C)[NH+]1CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006640948	0	50	0.0	-52.31	358.80	11.05	-41.26
C[NH+](C)CC1=CC=CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])=C1	REAL300006640949	0	50	0.0	-75.96	377.03	12.20	-63.76
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006640950	0	57	0.0	-60.38	420.96	14.36	-46.02
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006640950	1	57	0.0	-65.38	418.52	14.35	-51.03
C#CC[NH+]1CCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006641002	0	49	0.0	-84.02	367.67	10.95	-73.07
CC[NH+]1CCN(CCC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006641004	0	55	0.0	-76.94	400.16	10.14	-66.80
CCN1CC[NH+](CCC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006641004	1	55	0.0	-77.98	401.58	9.10	-68.88
CC(C)[N@H+](C)CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006641005	0	46	0.0	-69.93	337.40	9.61	-60.32
CC(C)[N@@H+](C)CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006641005	1	46	0.0	-55.88	336.49	10.54	-45.34
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006641010	1	51	0.0	-69.83	388.37	11.62	-58.21
CC[N@H+](CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])C1CC1	REAL300006641017	0	47	0.0	-68.61	351.53	10.41	-58.20
CC[N@@H+](CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])C1CC1	REAL300006641017	1	47	0.0	-54.86	343.46	10.92	-43.94
CC(C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])[NH+]1CCCCCC1	REAL300006641043	0	53	0.0	-55.45	367.22	11.63	-43.82
C[N@@H+]1CCC[C@H]1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006641047	0	44	0.0	-55.74	326.55	10.28	-45.46
C[N@H+]1CCC[C@H]1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006641047	1	44	0.0	-50.36	315.32	9.28	-41.08
CC(C)(C)[NH2+]CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006641116	0	46	0.0	-56.74	340.93	9.17	-47.57
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])O1	REAL300006641118	0	53	0.0	-83.33	393.07	12.12	-71.21
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CCCC[NH+]1CCCC1	REAL300006641119	0	53	0.0	-73.93	392.38	12.77	-61.16
CC1=CC=C(N2CCC(C(=O)N3CC4=CC=CC=C4C[C@H]3CC(=O)[O-])CC2)[NH+]=C1	REAL300006641121	1	56	0.0	-76.45	411.52	12.24	-64.21
C[N@H+](CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300006641122	1	50	0.0	-62.35	378.68	12.92	-49.43
C[N@@H+](CC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-])CC1=CC=CC=C1	REAL300006641122	1	50	0.0	-77.70	379.66	11.98	-65.72
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006641147	1	45	0.0	-81.39	357.17	10.58	-70.81
C[NH+](C)CC1=CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])=NO1	REAL300006641169	1	46	0.0	-80.42	357.03	10.50	-69.92
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006641173	0	57	0.0	-63.54	413.09	14.16	-49.38
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006641173	1	57	0.0	-65.39	413.54	14.07	-51.32
CC(C)[N@@H+]1CCCC1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006641186	0	50	0.0	-69.53	349.22	10.51	-59.02
CC(C)[N@H+]1CCCC1C(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]	REAL300006641186	1	50	0.0	-52.53	341.14	10.58	-41.95
C[NH+]1CCC(OCC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006641203	0	51	0.0	-82.49	382.04	11.17	-71.32
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006641208	0	54	0.0	-85.28	403.94	13.09	-72.19
CCC[N@@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006641355	0	53	0.0	-56.42	375.73	12.33	-44.09
CCC[N@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006641355	1	53	0.0	-65.69	382.15	12.18	-53.51
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006641380	0	51	0.0	-76.66	376.21	7.55	-69.11
CC(C)[N@@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006641557	0	53	0.0	-73.96	377.18	10.90	-63.06
CC(C)[N@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006641557	1	53	0.0	-51.68	367.24	11.91	-39.77
C[N@@H+]1CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300006641558	0	47	0.0	-85.72	351.22	9.76	-75.96
C[N@H+]1CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C(C(F)(F)F)C1	REAL300006641558	1	47	0.0	-77.61	356.74	9.67	-67.94
CC1=C(C)[NH+]=C(CCC(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])N1	REAL300006641581	1	48	0.0	-62.34	373.23	10.83	-51.51
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])=C1	REAL300006641966	0	53	0.0	-79.68	399.88	13.16	-66.52
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C=C1	REAL300006641973	0	54	0.0	-88.09	406.85	12.00	-76.09
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006642090	0	47	0.0	-76.68	351.87	10.13	-66.55
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])CC1	REAL300006642094	0	53	0.0	-66.83	370.62	11.57	-55.26
CC1=[NH+]C=C2C=CC(C(=O)N3CC4=CC=CC=C4C[C@H]3CC(=O)[O-])=CN21	REAL300006642098	0	45	0.0	-68.88	350.11	12.04	-56.84
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006642147	0	56	0.0	-55.05	393.24	12.70	-42.35
CC(C)C[N@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006642147	1	56	0.0	-65.61	399.77	12.68	-52.93
CC[N@@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006642148	0	50	0.0	-56.54	354.39	11.53	-45.01
CC[N@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006642148	1	50	0.0	-66.89	354.51	10.58	-56.31
C[N@@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006642153	0	47	0.0	-53.05	336.87	10.73	-42.32
C[N@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C1	REAL300006642153	1	47	0.0	-47.46	331.09	10.31	-37.15
C[NH+](C)CC1=CC=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])O1	REAL300006642155	1	47	0.0	-87.55	362.35	11.22	-76.33
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CC(C)[NH+]1CCN(CCC(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	REAL300006645337	0	48	0.0	-65.43	350.61	1.21	-64.22
CC(C)N1CC[NH+](CCC(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	REAL300006645337	1	48	0.0	-58.06	352.22	1.39	-56.67
CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	REAL300006645338	0	51	0.0	-64.44	377.22	2.40	-62.04
CC(C)N1CC[NH+](CCCC(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	REAL300006645338	1	51	0.0	-61.81	374.04	2.23	-59.58
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C[C@H](O)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006645343	0	49	0.0	-61.65	373.17	3.77	-57.88
C[C@H](O)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006645346	0	46	0.0	-63.55	358.40	3.95	-59.60
C[C@H](O)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006645346	1	46	0.0	-61.64	358.32	3.86	-57.78
CC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006645349	1	44	0.0	-54.13	337.38	5.09	-49.04
CC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)[N@H+]1CCC2=CC=CC=C2C1	REAL300006645349	1	44	0.0	-49.23	338.73	4.79	-44.44
C[C@H](O)[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006645372	0	47	0.0	-66.27	366.31	5.70	-60.57
C[C@H](O)[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006645372	1	47	0.0	-67.72	367.16	5.76	-61.96
C[C@H](O)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006645390	0	47	0.0	-63.41	369.90	5.78	-57.63
C[C@H](O)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006645390	1	47	0.0	-54.24	360.19	5.85	-48.39
C[C@H](O)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300006645393	0	48	0.0	-72.60	374.87	4.13	-68.47
C[C@H](O)[C@H](NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300006645413	1	47	0.0	-71.90	357.94	3.86	-68.04
C[C@H](O)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300006645427	0	52	0.0	-64.90	393.78	4.43	-60.47
C[C@H](O)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300006645427	1	52	0.0	-67.01	392.90	4.47	-62.54
CC(C)[N@@H+]1CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(C2=CN(C)N=C2)C1	REAL300006645430	0	53	0.0	-52.92	381.49	3.59	-49.33
CC(C)[N@H+]1CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(C2=CN(C)N=C2)C1	REAL300006645430	1	53	0.0	-60.20	390.25	4.18	-56.02
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C[C@H](O)[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300006645435	1	49	0.0	-75.27	376.60	3.23	-72.04
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C=C1	REAL300006645436	0	50	0.0	-74.28	381.66	4.89	-69.39
C[C@H](O)[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300006645473	0	51	0.0	-78.00	391.76	3.10	-74.90
C[C@H](O)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006645475	0	47	0.0	-67.27	361.27	6.03	-61.24
C[C@H](O)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006645475	1	47	0.0	-53.18	353.79	5.78	-47.40
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C[C@H](O)[C@H](NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006645521	1	45	0.0	-57.07	355.60	2.02	-55.05
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CC[NH+](CC)C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C1=CC=CC(C(F)(F)F)=C1	REAL300006645526	0	49	0.0	-68.22	387.14	5.92	-62.30
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C=C2)CC1	REAL300006645616	0	52	0.0	-87.42	390.48	5.25	-82.17
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CC(C)(C)[N@H+]1CC[C@H](C(=O)N[C@@H](CO)C(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300006649572	1	53	0.0	-78.22	401.39	6.20	-72.02
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC(N3C=CC=N3)C2)C1	REAL300006649666	0	48	0.0	-53.52	361.32	6.78	-46.74
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC(N3C=CC=N3)C2)C1	REAL300006649666	1	48	0.0	-54.64	355.08	6.80	-47.84
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2=CC=CC=C2)CCC2=CC=NC=C2)C1	REAL300006649769	0	58	0.0	-53.83	452.54	13.21	-40.62
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2=CC=CC=C2)CCC2=CC=NC=C2)C1	REAL300006649769	1	58	0.0	-53.56	448.62	13.06	-40.50
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCCCCCCC2)C1	REAL300006649862	0	55	0.0	-42.11	368.40	10.35	-31.76
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCCCCCCC2)C1	REAL300006649862	1	55	0.0	-46.47	372.25	10.66	-35.81
CN1N=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C1=CC=C(F)C=C1	REAL300006649985	1	47	0.0	-53.04	371.34	9.27	-43.77
CN1N=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C1=CC=C(F)C=C1	REAL300006649985	1	47	0.0	-51.45	365.85	9.30	-42.15
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300006650162	0	43	0.0	-47.11	348.56	8.45	-38.66
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300006650162	1	43	0.0	-47.99	349.42	8.91	-39.08
COC1=CC=C([C@@H](C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300006650288	0	51	0.0	-52.91	392.31	7.43	-45.48
COC1=CC=C([C@@H](C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300006650288	1	51	0.0	-53.06	386.79	7.48	-45.58
O=C([O-])C1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCCC2CC21	REAL300006651426	0	54	0.0	-81.05	392.91	12.17	-68.88
O=C([O-])C1(NC(=O)C2CC[NH+](C3CC3)CC2)CCCC2CC21	REAL300006652763	0	48	0.0	-77.69	341.08	9.79	-67.90
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CCCC4CC43)CN21	REAL300006652784	1	46	0.0	-66.75	339.39	9.68	-57.07
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCC4CC43)CC2)=CS1	REAL300006652847	1	53	0.0	-77.35	402.96	9.68	-67.67
CC(C(=O)NC1(C(=O)[O-])CCCC2CC21)N1CC[NH+](C)CC1	REAL300006652848	1	49	0.0	-73.10	345.07	6.70	-66.40
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300006652918	0	57	0.0	-83.14	428.57	11.44	-71.70
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC3CC32)=C1	REAL300006652923	0	57	0.0	-80.35	429.31	13.78	-66.57
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC3CC32)=C1	REAL300006652923	1	57	0.0	-82.69	426.59	14.02	-68.67
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CCCC3CC32)CCCCC1	REAL300006652996	0	53	0.0	-57.36	344.72	10.55	-46.81
C[N@H+](CCC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CCCCC1	REAL300006652999	0	53	0.0	-71.00	370.24	10.53	-60.47
C[N@@H+](CCC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CCCCC1	REAL300006652999	1	53	0.0	-70.06	370.18	10.53	-59.53
O=C([O-])C1(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCCC2CC21	REAL300006653061	0	47	0.0	-85.22	361.03	9.58	-75.64
O=C([O-])C1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCCC2CC21	REAL300006653078	0	55	0.0	-72.29	378.55	8.67	-63.62
CC1=[NH+]C=CN1CCCC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653105	1	45	0.0	-69.44	345.48	9.59	-59.85
O=C(CCCC[NH+]1CCOCC1)NC1(C(=O)[O-])CCCC2CC21	REAL300006653106	1	51	0.0	-76.18	372.77	8.28	-67.90
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1)C(C)C	REAL300006653107	0	56	0.0	-87.31	390.43	11.69	-75.62
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1)C(C)C	REAL300006653107	1	56	0.0	-85.90	389.24	11.62	-74.28
O=C([O-])C1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300006653125	0	51	0.0	-66.67	377.11	11.05	-55.62
O=C([O-])C1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300006653125	1	51	0.0	-68.23	379.53	11.16	-57.07
O=C([O-])C1(NC(=O)C2CC[NH+](C3CCSC3)CC2)CCCC2CC21	REAL300006653126	0	52	0.0	-85.13	375.59	10.82	-74.31
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1(C(=O)[O-])CCCC2CC21	REAL300006653155	0	55	0.0	-72.10	364.70	8.39	-63.71
CC(C(=O)NC1(C(=O)[O-])CCCC2CC21)[N@H+](C)CC1=CC=CC=C1	REAL300006653158	0	50	0.0	-61.62	365.91	10.90	-50.72
CC(C(=O)NC1(C(=O)[O-])CCCC2CC21)[N@@H+](C)CC1=CC=CC=C1	REAL300006653158	1	50	0.0	-61.45	365.33	10.88	-50.57
O=C([O-])C1(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCCC2CC21	REAL300006653166	0	57	0.0	-75.42	415.43	12.99	-62.43
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCCC2CC21	REAL300006653166	1	57	0.0	-72.37	418.07	12.73	-59.64
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)C=N1	REAL300006653182	0	46	0.0	-85.09	345.65	8.98	-76.11
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653189	0	55	0.0	-69.99	397.07	10.90	-59.09
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653196	1	45	0.0	-61.40	337.30	9.63	-51.77
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCCC2CC21	REAL300006653209	0	51	0.0	-89.39	374.61	11.61	-77.78
O=C([O-])C1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCCC2CC21	REAL300006653214	0	54	0.0	-78.01	391.51	12.29	-65.72
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCC4CC43)CC2)CC1	REAL300006653220	0	62	0.0	-78.95	422.55	9.65	-69.30
CC1C[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC4CC43)C=C2)CC(C)O1	REAL300006653227	1	58	0.0	-91.98	424.68	11.33	-80.65
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCCC2CC21	REAL300006653238	1	55	0.0	-80.25	401.96	10.90	-69.35
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCCC2CC21	REAL300006653238	1	55	0.0	-76.86	408.61	10.96	-65.90
CC1=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)C=NN1C1=CC=[NH+]C=C1	REAL300006653253	1	45	0.0	-84.26	345.95	8.74	-75.52
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCCC2CC21	REAL300006653256	0	54	0.0	-88.12	391.19	12.25	-75.87
O=C([O-])C1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCCC2CC21	REAL300006653267	1	47	0.0	-79.88	355.19	9.06	-70.82
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300006653268	0	50	0.0	-93.32	372.29	11.29	-82.03
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653273	1	43	0.0	-62.43	321.09	7.91	-54.52
O=C([O-])C1(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCCC2CC21	REAL300006653274	1	52	0.0	-60.36	376.53	10.41	-49.95
O=C([O-])C1(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCCC2CC21	REAL300006653274	1	52	0.0	-82.65	388.57	10.32	-72.33
CC(C(=O)NC1(C(=O)[O-])CCCC2CC21)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006653284	0	60	0.0	-58.87	428.94	13.36	-45.51
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653320	0	50	0.0	-62.00	373.41	11.04	-50.96
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653320	1	50	0.0	-64.85	370.93	11.30	-53.55
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653321	0	54	0.0	-70.61	399.91	7.56	-63.05
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653321	1	54	0.0	-69.97	402.69	7.31	-62.66
C[N@@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300006653324	0	48	0.0	-68.04	332.38	6.65	-61.39
C[N@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300006653324	1	48	0.0	-68.82	332.19	6.51	-62.31
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1(C(=O)[O-])CCCC2CC21	REAL300006653331	0	59	0.0	-74.71	428.81	10.83	-63.88
CCCCCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653333	0	52	0.0	-60.41	378.00	10.37	-50.04
CCCCCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653333	1	52	0.0	-63.59	375.38	10.60	-52.99
C[N@H+](CC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CCSC1	REAL300006653358	0	45	0.0	-68.51	331.15	9.08	-59.43
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CCSC1	REAL300006653358	1	45	0.0	-66.00	331.06	9.10	-56.90
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006653371	0	55	0.0	-77.34	387.01	8.10	-69.24
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006653371	1	55	0.0	-65.95	386.35	7.65	-58.30
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006653372	0	58	0.0	-76.15	408.62	8.92	-67.23
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006653372	1	58	0.0	-73.12	404.96	8.70	-64.42
O=C([O-])C1(NC(=O)C2CCCC3CCC[N@@H+]32)CCCC2CC21	REAL300006653373	0	48	0.0	-59.31	324.80	9.24	-50.07
O=C([O-])C1(NC(=O)C2CCCC3CCC[N@H+]32)CCCC2CC21	REAL300006653373	1	48	0.0	-62.49	326.36	9.25	-53.24
C[NH+](C)CCN1C=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)C=N1	REAL300006653375	0	47	0.0	-83.00	358.81	8.21	-74.79
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C(=O)[O-])CCCC4CC43)CC2)=C1	REAL300006653378	0	59	0.0	-69.90	428.71	10.69	-59.21
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1(C(=O)[O-])CCCC2CC21	REAL300006653380	0	56	0.0	-69.81	407.31	10.02	-59.79
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCCC2CC21	REAL300006653382	0	53	0.0	-66.94	378.70	10.38	-56.56
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCCC2CC21	REAL300006653382	1	53	0.0	-70.57	387.70	10.27	-60.30
CC(C(=O)NC1(C(=O)[O-])CCCC2CC21)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006653387	1	51	0.0	-60.07	369.34	11.11	-48.96
CC(C(=O)NC1(C(=O)[O-])CCCC2CC21)[N@H+]1CCC2=CC=CC=C2C1	REAL300006653387	1	51	0.0	-60.57	367.22	11.37	-49.20
O=C([O-])C1(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300006653410	0	54	0.0	-73.96	396.83	11.73	-62.23
O=C([O-])C1(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300006653410	1	54	0.0	-77.18	397.36	12.12	-65.06
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300006653423	0	47	0.0	-92.68	356.45	8.50	-84.18
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653424	0	47	0.0	-58.61	351.46	8.39	-50.22
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653425	1	48	0.0	-65.39	357.72	10.06	-55.33
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCCC2CC21	REAL300006653438	0	54	0.0	-66.71	390.22	12.21	-54.50
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCCC2CC21	REAL300006653438	1	54	0.0	-61.45	395.02	12.00	-49.45
CC(C[NH+]1CCOCC1)C(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653442	1	48	0.0	-68.07	345.82	7.41	-60.66
O=C([O-])C1(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCCC2CC21	REAL300006653443	0	55	0.0	-72.51	402.36	9.68	-62.83
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006653485	1	54	0.0	-78.86	393.55	10.50	-68.36
O=C([O-])C1(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCCC2CC21	REAL300006653486	0	54	0.0	-67.86	380.46	10.59	-57.27
O=C([O-])C1(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CCCC2CC21	REAL300006653486	1	54	0.0	-71.27	377.71	10.87	-60.40
O=C([O-])C1(NC(=O)C2CCC3CCCC[N@@H+]32)CCCC2CC21	REAL300006653502	0	48	0.0	-55.50	335.04	8.95	-46.55
O=C([O-])C1(NC(=O)C2CCC3CCCC[N@H+]32)CCCC2CC21	REAL300006653502	1	48	0.0	-58.48	332.47	9.26	-49.22
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CCCC4CC43)=C2)CC1	REAL300006653516	0	56	0.0	-80.95	408.62	9.86	-71.09
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC4CC43)C=C2)CC1	REAL300006653517	0	56	0.0	-88.43	408.41	9.87	-78.56
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC4CC43)C=C2)CC1	REAL300006653517	1	56	0.0	-90.30	407.88	9.75	-80.55
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300006653518	0	57	0.0	-88.28	410.98	11.30	-76.98
CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006653524	0	50	0.0	-70.27	349.53	9.29	-60.98
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCCC2CC21	REAL300006653611	0	58	0.0	-91.95	423.04	9.62	-82.33
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC3CC32)=C1	REAL300006653615	0	47	0.0	-78.59	352.66	10.18	-68.41
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300006653616	0	54	0.0	-69.25	392.91	12.13	-57.12
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300006653616	1	54	0.0	-69.21	392.25	12.14	-57.07
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006653662	0	46	0.0	-79.81	340.92	9.74	-70.07
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006653665	0	52	0.0	-79.02	369.77	7.55	-71.47
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006653665	1	52	0.0	-66.12	373.12	7.34	-58.78
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653672	1	48	0.0	-65.52	357.19	10.09	-55.43
CC(C(=O)NC1(C(=O)[O-])CCCC2CC21)[NH+]1CCCCCC1	REAL300006653701	0	50	0.0	-61.87	342.88	9.69	-52.18
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCCC4CC43)=CC=C1N2	REAL300006653733	1	52	0.0	-84.76	387.13	10.55	-74.21
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCCC4CC43)=CC=C1N2	REAL300006653733	1	52	0.0	-86.53	384.81	10.87	-75.66
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)O1	REAL300006653777	0	50	0.0	-80.70	372.13	10.15	-70.55
O=C(CCCC[NH+]1CCCC1)NC1(C(=O)[O-])CCCC2CC21	REAL300006653778	0	50	0.0	-73.49	365.83	10.00	-63.49
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CCCC4CC43)CC2)[NH+]=C1	REAL300006653780	1	53	0.0	-76.62	385.83	10.00	-66.62
C[N@H+](CC(=O)NC1(C(=O)[O-])CCCC2CC21)CC1=CC=CC=C1	REAL300006653781	1	47	0.0	-65.90	348.43	10.45	-55.45
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCC2CC21)CC1=CC=CC=C1	REAL300006653781	1	47	0.0	-66.34	348.45	10.45	-55.89
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CCCC4CC43)C=C2)CC1	REAL300006653785	0	59	0.0	-87.75	420.43	10.55	-77.20
O=C([O-])C1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCCC2CC21	REAL300006653796	1	42	0.0	-82.52	331.08	8.41	-74.11
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CCCC3CC32)=NO1	REAL300006653818	1	43	0.0	-81.85	330.89	8.01	-73.84
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653824	0	54	0.0	-69.87	387.46	11.78	-58.09
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300006653824	1	54	0.0	-71.72	388.88	11.66	-60.06
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300006653847	0	55	0.0	-87.36	416.98	11.16	-76.20
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006653859	0	48	0.0	-81.66	354.46	8.41	-73.25
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCCC2CC21	REAL300006653865	0	51	0.0	-82.86	377.91	10.66	-72.20
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300006654002	0	50	0.0	-58.76	351.27	9.77	-48.99
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300006654002	1	50	0.0	-70.77	355.42	9.96	-60.81
O=C([O-])C1(NC(=O)C[NH+]2CCC(CO)CC2)CCCC2CC21	REAL300006654031	1	48	0.0	-63.72	345.57	6.05	-57.67
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300006654201	0	50	0.0	-69.09	350.64	9.73	-59.36
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300006654201	1	50	0.0	-67.89	350.61	9.74	-58.15
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CCCC3CC32)C(C(F)(F)F)C1	REAL300006654202	0	44	0.0	-70.59	312.39	8.20	-62.39
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CCCC3CC32)C(C(F)(F)F)C1	REAL300006654202	1	44	0.0	-72.22	317.33	8.10	-64.12
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CCCC3CC32)N1	REAL300006654226	1	45	0.0	-62.81	344.74	7.97	-54.84
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC3CC32)=C1	REAL300006654600	0	50	0.0	-81.40	375.15	11.02	-70.38
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300006654606	0	51	0.0	-90.47	379.59	10.24	-80.23
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1(C(=O)[O-])CCCC2CC21	REAL300006654689	0	57	0.0	-69.08	411.48	12.80	-56.28
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC4CC43)C=C2)CCO1	REAL300006654691	1	55	0.0	-91.22	397.31	10.60	-80.62
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC4CC43)C=C2)CCO1	REAL300006654691	1	55	0.0	-88.71	400.01	10.36	-78.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300006654717	0	50	0.0	-75.89	342.88	9.50	-66.39
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CCCC4CC43)=CN21	REAL300006654722	0	42	0.0	-71.23	323.36	10.25	-60.98
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300006654770	0	53	0.0	-59.38	368.64	10.46	-48.92
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300006654770	1	53	0.0	-67.55	375.87	10.40	-57.15
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)O1	REAL300006654775	1	44	0.0	-83.60	335.26	8.70	-74.90
O=C([O-])C1(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCCC2CC21	REAL300006654782	1	46	0.0	-69.74	331.15	9.31	-60.43
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O=C([O-])C1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCC2CC21	REAL300006655843	0	51	0.0	-79.61	379.97	11.28	-68.33
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CCC4CC43)CN21	REAL300006657112	1	43	0.0	-66.35	326.52	8.77	-57.58
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CCC4CC43)CC2)=CS1	REAL300006657164	1	50	0.0	-79.60	386.97	8.98	-70.62
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300006657224	0	54	0.0	-85.61	413.00	10.78	-74.83
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCC3CC32)=C1	REAL300006657230	0	54	0.0	-83.59	413.77	13.11	-70.48
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCC3CC32)=C1	REAL300006657230	1	54	0.0	-82.80	413.72	13.17	-69.63
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CCC3CC32)CCCCC1	REAL300006657294	0	50	0.0	-78.31	331.65	9.80	-68.51
C[N@H+](CCC(=O)NC1(C(=O)[O-])CCC2CC21)C1CCCCC1	REAL300006657296	0	50	0.0	-70.69	357.34	9.63	-61.06
C[N@@H+](CCC(=O)NC1(C(=O)[O-])CCC2CC21)C1CCCCC1	REAL300006657296	1	50	0.0	-69.84	357.33	9.62	-60.22
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CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCC3CC32)C=C1)C(C)C	REAL300006657399	0	53	0.0	-83.78	386.75	10.92	-72.86
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCC3CC32)C=C1)C(C)C	REAL300006657399	1	53	0.0	-84.91	378.35	10.66	-74.25
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O=C([O-])C1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCC2CC21	REAL300006657415	1	48	0.0	-70.33	362.07	10.39	-59.94
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CC(C(=O)NC1(C(=O)[O-])CCC2CC21)[N@H+](C)CC1=CC=CC=C1	REAL300006657441	0	47	0.0	-61.79	353.52	9.98	-51.81
CC(C(=O)NC1(C(=O)[O-])CCC2CC21)[N@@H+](C)CC1=CC=CC=C1	REAL300006657441	1	47	0.0	-61.11	353.06	9.98	-51.13
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C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCC3CC32)C=N1	REAL300006657466	0	43	0.0	-84.97	333.24	8.14	-76.83
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300006657473	0	52	0.0	-70.75	382.97	10.07	-60.68
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CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CCC4CC43)CC2)CC1	REAL300006657502	0	59	0.0	-73.88	409.78	8.77	-65.11
CC1C[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCC4CC43)C=C2)CC(C)O1	REAL300006657509	1	55	0.0	-89.75	411.96	10.41	-79.34
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCC2CC21	REAL300006657518	1	52	0.0	-83.93	386.39	10.28	-73.65
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCC2CC21	REAL300006657518	1	52	0.0	-83.97	386.54	10.27	-73.70
CC1=C(C(=O)NC2(C(=O)[O-])CCC3CC32)C=NN1C1=CC=[NH+]C=C1	REAL300006657533	1	42	0.0	-84.52	335.07	7.96	-76.56
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C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300006657547	0	47	0.0	-90.93	359.56	10.38	-80.55
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CC(C(=O)NC1(C(=O)[O-])CCC2CC21)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006657561	0	57	0.0	-58.96	416.58	12.47	-46.49
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300006657588	0	47	0.0	-65.08	358.03	10.41	-54.67
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300006657588	1	47	0.0	-64.95	358.06	10.40	-54.55
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300006657589	0	51	0.0	-70.41	387.09	6.65	-63.76
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300006657589	1	51	0.0	-70.12	387.10	6.65	-63.47
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CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300006657627	0	52	0.0	-74.30	374.24	7.22	-67.08
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300006657627	1	52	0.0	-69.56	370.59	7.00	-62.56
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300006657628	0	55	0.0	-75.70	395.77	8.01	-67.69
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300006657628	1	55	0.0	-72.80	392.09	7.80	-65.00
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CC(C(=O)NC1(C(=O)[O-])CCC2CC21)[N@H+]1CCC2=CC=CC=C2C1	REAL300006657643	1	48	0.0	-60.14	356.11	10.42	-49.72
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O=C([O-])C1(NC(=O)C2CCC3CCCC[N@H+]32)CC2(CCC2)C1	REAL300006661949	1	48	0.0	-56.26	347.22	9.23	-47.03
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=C2)CC1	REAL300006661963	0	56	0.0	-72.42	416.07	9.08	-63.34
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=C2)CC1	REAL300006661964	0	56	0.0	-87.87	423.04	9.51	-78.36
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=C2)CC1	REAL300006661964	1	56	0.0	-90.36	422.51	9.38	-80.98
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300006661965	0	57	0.0	-88.35	425.59	10.95	-77.40
CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300006661971	0	50	0.0	-76.64	361.46	9.22	-67.42
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CC2(CCC2)C1	REAL300006662058	0	58	0.0	-91.91	437.66	9.24	-82.67
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300006662062	0	47	0.0	-78.45	358.33	9.84	-68.61
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC2(CCC2)C1	REAL300006662063	0	54	0.0	-64.82	401.34	11.53	-53.29
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC2(CCC2)C1	REAL300006662063	1	54	0.0	-65.86	401.10	11.55	-54.31
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300006662109	0	46	0.0	-79.31	355.97	9.46	-69.85
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300006662112	0	52	0.0	-76.18	378.79	6.99	-69.19
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300006662112	1	52	0.0	-66.52	377.63	6.86	-59.66
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300006662119	1	48	0.0	-62.39	365.63	9.49	-52.90
CC(C(=O)NC1(C(=O)[O-])CC2(CCC2)C1)[NH+]1CCCCCC1	REAL300006662148	0	50	0.0	-54.88	349.32	8.72	-46.16
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=CC=C1N2	REAL300006662180	1	52	0.0	-84.78	393.14	10.26	-74.52
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=CC=C1N2	REAL300006662180	1	52	0.0	-86.34	399.63	10.48	-75.86
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)O1	REAL300006662224	0	50	0.0	-80.51	380.27	9.56	-70.95
O=C(CCCC[NH+]1CCCC1)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300006662225	0	50	0.0	-73.99	370.78	9.59	-64.40
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)CC2)[NH+]=C1	REAL300006662227	1	53	0.0	-74.19	394.22	9.42	-64.77
C[N@H+](CC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)CC1=CC=CC=C1	REAL300006662228	1	47	0.0	-66.01	362.93	10.08	-55.93
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)CC1=CC=CC=C1	REAL300006662228	1	47	0.0	-62.66	356.80	9.84	-52.82
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=C2)CC1	REAL300006662232	0	59	0.0	-87.19	426.35	10.21	-76.98
O=C([O-])C1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC2(CCC2)C1	REAL300006662243	1	42	0.0	-80.18	339.47	7.84	-72.34
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=NO1	REAL300006662265	1	43	0.0	-82.82	345.38	7.65	-75.17
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300006662271	0	54	0.0	-66.71	396.89	11.18	-55.53
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300006662271	1	54	0.0	-76.19	405.12	11.40	-64.79
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300006662294	0	55	0.0	-87.83	422.64	10.82	-77.01
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300006662306	0	48	0.0	-81.26	360.00	8.06	-73.20
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC2(CCC2)C1	REAL300006662312	0	51	0.0	-82.11	386.07	10.08	-72.03
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006662449	0	50	0.0	-60.10	363.50	9.72	-50.38
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006662449	1	50	0.0	-52.96	356.32	9.42	-43.54
O=C([O-])C1(NC(=O)C[NH+]2CCC(CO)CC2)CC2(CCC2)C1	REAL300006662478	1	48	0.0	-62.54	353.99	5.44	-57.10
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006662648	0	50	0.0	-57.60	352.58	9.26	-48.34
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006662648	1	50	0.0	-64.96	358.81	9.15	-55.81
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C(C(F)(F)F)C1	REAL300006662649	0	44	0.0	-68.03	333.29	7.92	-60.11
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C(C(F)(F)F)C1	REAL300006662649	1	44	0.0	-66.78	335.75	7.98	-58.80
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)N1	REAL300006662673	1	45	0.0	-62.63	350.40	7.62	-55.01
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300006663047	0	50	0.0	-81.17	380.82	10.68	-70.49
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300006663053	0	51	0.0	-90.51	394.22	9.87	-80.64
O=C([O-])C1(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC2(CCC2)C1	REAL300006663136	0	57	0.0	-71.80	419.85	12.19	-59.61
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=C2)CCO1	REAL300006663138	1	55	0.0	-89.92	412.17	10.06	-79.86
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=C2)CCO1	REAL300006663138	1	55	0.0	-89.22	412.76	10.06	-79.16
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300006663164	0	50	0.0	-70.65	352.22	8.94	-61.71
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=CN21	REAL300006663169	0	42	0.0	-68.91	331.76	9.64	-59.27
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006663217	0	53	0.0	-53.76	371.44	10.04	-43.72
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006663217	1	53	0.0	-67.51	381.37	10.08	-57.43
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)O1	REAL300006663222	1	44	0.0	-84.33	344.45	8.20	-76.13
O=C([O-])C1(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CC2(CCC2)C1	REAL300006663229	0	46	0.0	-68.80	343.17	9.23	-59.57
O=C([O-])C1(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CC2(CCC2)C1	REAL300006663229	1	46	0.0	-69.92	332.68	9.45	-60.47
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CNN=C2C(F)(F)F)C1	REAL300006663313	0	44	0.0	-54.50	368.32	4.51	-49.99
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CNN=C2C(F)(F)F)C1	REAL300006663313	1	44	0.0	-54.70	367.68	4.49	-50.21
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(O)C3CC4CC(C3)CC2C4)C1	REAL300006663441	0	55	0.0	-49.04	372.45	6.42	-42.62
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(O)C3CC4CC(C3)CC2C4)C1	REAL300006663441	1	55	0.0	-50.58	378.66	6.44	-44.14
C[NH+](C)C1CCCCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300006663493	0	47	0.0	-67.17	351.30	9.21	-57.96
CC(SC1=CC=CC=C1C(=O)N1CCCCC([NH+](C)C)C1)C(=O)[O-]	REAL300006663494	0	50	0.0	-67.88	377.93	10.76	-57.12
CCOC1=CC(C(=O)N2CCCCC([NH+](C)C)C2)=CC=C1OCC(=O)[O-]	REAL300006663495	0	54	0.0	-76.62	402.33	9.90	-66.72
C[NH+](C)C1CCCCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300006663496	0	49	0.0	-74.81	366.95	10.79	-64.02
C[NH+](C)C1CCCCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300006663497	0	47	0.0	-79.17	349.08	10.24	-68.93
C[NH+](C)C1CCCCN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300006663498	0	51	0.0	-72.45	399.61	5.64	-66.81
C[NH+](C)C1CCCCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300006663499	0	45	0.0	-69.29	347.24	9.58	-59.71
C[NH+](C)C1CCCCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300006663500	0	45	0.0	-69.29	347.24	9.58	-59.71
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCCC([NH+](C)C)C2)C=C1	REAL300006663501	0	53	0.0	-75.29	395.19	10.49	-64.80
C[NH+](C)C1CCCCN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300006663502	0	50	0.0	-76.01	377.01	10.10	-65.91
C[NH+](C)C1CCCCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300006663503	0	49	0.0	-64.88	358.33	10.54	-54.34
CC1=CC(C(=O)N2CCCCC([NH+](C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006663504	0	53	0.0	-74.90	373.34	9.90	-65.00
C[NH+](C)C1CCCCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300006663505	0	46	0.0	-73.63	345.56	9.98	-63.65
C[NH+](C)C1CCCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300006663506	0	43	0.0	-69.86	327.12	9.02	-60.84
C[NH+](C)C1CCCCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300006663507	0	46	0.0	-77.09	345.56	10.00	-67.09
CC1=NC(C(=O)N2CCCCC([NH+](C)C)C2)=CC=C1C(=O)[O-]	REAL300006663508	0	45	0.0	-63.87	332.13	8.50	-55.37
C[NH+](C)C1CCCCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300006663509	0	43	0.0	-70.46	340.37	9.51	-60.95
C[NH+](C)C1CCCCN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300006663510	0	46	0.0	-67.83	342.41	9.69	-58.14
C[NH+](C)C1CCCCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300006663511	0	53	0.0	-59.52	382.37	11.86	-47.66
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCCC([NH+](C)C)C1	REAL300006663512	0	46	0.0	-54.07	336.44	8.40	-45.67
C[NH+](C)C1CCCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300006663513	0	52	0.0	-72.50	365.69	10.25	-62.25
C[NH+](C)C1CCCCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300006663514	0	50	0.0	-75.66	347.04	9.35	-66.31
C[NH+](C)C1CCCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300006663515	0	53	0.0	-72.88	355.45	9.61	-63.27
C[NH+](C)C1CCCCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300006663516	0	45	0.0	-86.73	349.78	7.96	-78.77
C[NH+](C)C1CCCCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300006663517	0	50	0.0	-86.08	355.71	10.33	-75.75
C[NH+](C)C1CCCCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300006663518	0	56	0.0	-70.19	399.81	12.21	-57.98
C[NH+](C)C1CCCCN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300006663519	0	44	0.0	-67.39	337.96	8.94	-58.45
C[NH+](C)C1CCCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006663520	0	50	0.0	-54.72	343.98	9.39	-45.33
C[NH+](C)C1CCCCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300006663521	0	47	0.0	-70.22	351.33	9.22	-61.00
C[NH+](C)C1CCCCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300006663522	0	52	0.0	-79.97	387.59	9.78	-70.19
C[NH+](C)C1CCCCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300006663523	0	46	0.0	-69.07	342.51	9.72	-59.35
C[NH+](C)C1CCCCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300006663524	0	47	0.0	-73.76	352.43	10.24	-63.52
C[NH+](C)C1CCCCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300006663525	0	44	0.0	-76.16	337.84	8.70	-67.46
C[NH+](C)C1CCCCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300006663526	0	49	0.0	-62.07	356.93	10.35	-51.72
C[NH+](C)C1CCCCN(C(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300006663527	0	46	0.0	-75.64	353.67	5.06	-70.58
C[NH+](C)C1CCCCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300006663528	0	44	0.0	-59.15	339.21	9.05	-50.10
CC1=CC=C(C(=O)N2CCCCC([NH+](C)C)C2)C=C1C(=O)[O-]	REAL300006663529	0	46	0.0	-74.87	334.53	9.42	-65.45
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCCC([NH+](C)C)C1	REAL300006663530	0	45	0.0	-65.92	336.21	7.76	-58.16
C[NH+](C)C1CCCCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300006663531	0	49	0.0	-83.26	370.58	8.85	-74.41
C[NH+](C)C1CCCCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300006663532	0	50	0.0	-74.16	361.22	9.07	-65.09
C[NH+](C)C1CCCCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300006663533	0	50	0.0	-67.67	363.78	8.13	-59.54
C[NH+](C)C1CCCCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300006663534	0	51	0.0	-81.99	342.30	10.34	-71.65
C[NH+](C)C1CCCCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300006663536	0	50	0.0	-62.18	360.74	10.76	-51.42
C[NH+](C)C1CCCCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300006663537	0	50	0.0	-86.08	355.71	10.33	-75.75
C[NH+](C)C1CCCCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300006663538	0	50	0.0	-86.14	378.90	11.37	-74.77
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCCC([NH+](C)C)C1	REAL300006663539	0	46	0.0	-69.73	338.70	9.57	-60.16
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCCC([NH+](C)C)C1	REAL300006663540	0	45	0.0	-68.68	327.99	7.60	-61.08
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCCC([NH+](C)C)C1	REAL300006663541	0	46	0.0	-72.67	339.95	9.62	-63.05
C[NH+](C)C1CCCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300006663542	0	43	0.0	-69.36	335.95	9.45	-59.91
C[NH+](C)C1CCCCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300006663543	0	50	0.0	-70.06	360.23	10.10	-59.96
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCCC([NH+](C)C)C2)=C1	REAL300006663544	0	46	0.0	-62.15	346.09	7.31	-54.84
C[NH+](C)C1CCCCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300006663545	0	49	0.0	-69.61	363.90	10.52	-59.09
C[NH+](C)C1CCCCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300006663546	0	47	0.0	-67.62	354.51	9.76	-57.86
CC1=C(C(=O)N2CCCCC([NH+](C)C)C2)C=C(C(=O)[O-])S1	REAL300006663547	0	43	0.0	-41.33	313.53	8.53	-32.80
C[NH+](C)C1CCCCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300006663548	0	43	0.0	-72.37	350.77	9.72	-62.65
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCCC([NH+](C)C)C2)=C1	REAL300006663549	0	47	0.0	-69.94	361.21	8.61	-61.33
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCCCC([NH+](C)C)C1	REAL300006663550	0	46	0.0	-66.45	349.04	9.65	-56.80
C[NH+](C)C1CCCCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300006663551	0	46	0.0	-74.95	355.75	10.40	-64.55
C[NH+](C)C1CCCCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300006663552	0	48	0.0	-69.03	354.34	8.80	-60.23
C[NH+](C)C1CCCCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300006663553	0	47	0.0	-79.58	353.12	10.41	-69.17
C[NH+](C)C1CCCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006663554	0	50	0.0	-54.72	343.98	9.39	-45.33
C[NH+](C)C1CCCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300006663555	0	44	0.0	-43.31	322.70	8.53	-34.78
C[NH+](C)C1CCCCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300006663556	0	44	0.0	-73.85	342.85	8.66	-65.19
C[NH+](C)C1CCCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300006663557	0	44	0.0	-46.29	313.50	7.53	-38.76
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCCC([NH+](C)C)C1	REAL300006663558	0	46	0.0	-73.23	332.87	9.46	-63.77
C[NH+](C)C1CCCCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300006663559	0	46	0.0	-77.77	348.98	8.67	-69.10
C[NH+](C)C1CCCCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300006663560	0	48	0.0	-64.83	339.80	7.56	-57.27
C[NH+](C)C1CCCCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300006663561	0	49	0.0	-76.18	359.80	11.01	-65.17
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCCC([NH+](C)C)C1	REAL300006663562	0	49	0.0	-78.71	362.24	10.45	-68.26
C[NH+](C)C1CCCCN(C(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300006663563	0	43	0.0	-75.23	337.10	9.12	-66.11
C[NH+](C)C1CCCCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300006663564	0	46	0.0	-80.01	350.08	10.00	-70.01
C[NH+](C)C1CCCCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300006663565	0	50	0.0	-71.98	368.01	10.43	-61.55
C[NH+](C)C1CCCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300006663566	0	53	0.0	-72.88	355.45	9.61	-63.27
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC(F)=CC=C2Cl)C1	REAL300006663712	0	47	0.0	-48.52	376.55	11.31	-37.21
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC(F)=CC=C2Cl)C1	REAL300006663712	1	47	0.0	-50.09	370.34	11.27	-38.82
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC(F)=CC=C2F)C1	REAL300006663815	0	47	0.0	-49.01	367.77	10.93	-38.08
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC(F)=CC=C2F)C1	REAL300006663815	1	47	0.0	-50.43	361.61	10.90	-39.53
O=C([O-])C1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1	REAL300006663903	1	45	0.0	-72.16	364.74	10.31	-61.85
O=C([O-])COC1=CC=CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006663904	1	49	0.0	-78.65	395.84	10.57	-68.08
O=C([O-])C1=CC=CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006663905	1	45	0.0	-81.53	364.75	10.29	-71.24
O=C([O-])C1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)S1	REAL300006663906	1	42	0.0	-65.44	359.05	9.46	-55.98
O=C([O-])C1=CC=CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=N1	REAL300006663907	1	44	0.0	-61.23	362.87	8.57	-52.66
CC(SC1=CC=CC=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300006663908	1	52	0.0	-79.47	417.32	12.05	-67.42
O=C([O-])C1=CC=C(CCC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1	REAL300006663909	1	51	0.0	-76.19	410.83	11.78	-64.41
O=C([O-])C1=CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=CC=N1	REAL300006663910	1	44	0.0	-83.71	360.83	8.53	-75.18
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663911	1	49	0.0	-75.74	399.26	11.49	-64.25
O=C([O-])C1=CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=CC([N+](=O)[O-])=C1	REAL300006663912	1	47	0.0	-59.48	392.93	10.96	-48.52
O=C([O-])C1=CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=CC([N+](=O)[O-])=C1	REAL300006663913	1	47	0.0	-59.48	392.93	10.96	-48.52
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006663914	1	52	0.0	-74.28	422.87	11.31	-62.97
O=C([O-])C1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)O1	REAL300006663915	1	42	0.0	-61.39	351.18	8.69	-52.70
O=C([O-])C1=CC=CC=C1CCC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663916	1	51	0.0	-70.37	402.17	11.52	-58.85
CC1=CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=CC(C)=C1OCC(=O)[O-]	REAL300006663917	1	55	0.0	-74.07	439.86	12.12	-61.95
O=C([O-])C1=CC(CC(=O)NCCCN2C=[NH+]C3=C2CCCC3)=CC=C1	REAL300006663918	1	48	0.0	-81.06	389.42	10.96	-70.10
O=C([O-])C1CCCC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300006663919	1	51	0.0	-80.16	384.34	10.38	-69.78
O=C([O-])C1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=N1	REAL300006663920	1	44	0.0	-72.12	360.64	8.51	-63.61
O=C([O-])C1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)N=C1	REAL300006663921	1	44	0.0	-63.09	362.16	8.56	-54.53
CC(C)(CC(=O)[O-])CC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663922	1	50	0.0	-70.54	373.90	9.72	-60.82
O=C([O-])C1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(F)=C1	REAL300006663923	1	45	0.0	-72.18	369.29	10.38	-61.80
O=C([O-])C1=CN=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=N1	REAL300006663924	1	43	0.0	-65.45	357.73	6.70	-58.75
O=C([O-])[C@H]1CC[C@H](C(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC1	REAL300006663925	1	51	0.0	-71.67	390.88	10.54	-61.13
O=C([O-])C1CCC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC1	REAL300006663926	1	51	0.0	-75.76	383.01	10.35	-65.41
O=C([O-])C1=CC=C(CC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1	REAL300006663927	1	48	0.0	-82.26	389.42	10.98	-71.28
O=C([O-])C1=CN(CC(=O)NCCCN2C=[NH+]C3=C2CCCC3)N=N1	REAL300006663928	1	44	0.0	-83.98	366.56	6.95	-77.03
CC1=NC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=CC=C1C(=O)[O-]	REAL300006663929	1	47	0.0	-63.05	378.42	9.08	-53.97
O=C([O-])C1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1	REAL300006663930	1	45	0.0	-72.16	364.74	10.31	-61.85
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300006663931	1	48	0.0	-76.89	373.26	9.84	-67.05
O=C([O-])CC1=CC=CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006663932	1	48	0.0	-75.73	386.93	11.06	-64.67
O=C([O-])CC1=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=CO1	REAL300006663933	1	45	0.0	-75.06	367.19	9.21	-65.85
CC1=COC(CC(=O)[O-])=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663934	1	48	0.0	-60.44	394.07	9.83	-50.61
O=C([O-])C1=CC=NC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006663935	1	44	0.0	-70.36	362.36	8.58	-61.78
O=C([O-])C12CC(C(=O)NCCCN3C=[NH+]C4=C3CCCC4)(C1)C2	REAL300006663936	1	46	0.0	-70.03	368.00	9.87	-60.16
O=C([O-])C1(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCC1	REAL300006663937	1	45	0.0	-57.03	351.57	9.27	-47.76
O=C([O-])C1CCC(CC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC1	REAL300006663938	1	54	0.0	-77.02	409.54	11.22	-65.80
O=C([O-])C12CCC(C(=O)NCCCN3C=[NH+]C4=C3CCCC4)(CC1)C2	REAL300006663939	1	52	0.0	-79.28	398.70	10.67	-68.61
O=C([O-])C12CCC(C(=O)NCCCN3C=[NH+]C4=C3CCCC4)(CC1)CC2	REAL300006663940	1	55	0.0	-73.44	408.33	11.19	-62.25
CC(C)(CC(=O)[O-])CC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663941	1	50	0.0	-70.54	373.90	9.72	-60.82
CC(CC(=O)[O-])CC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663942	1	47	0.0	-72.77	364.15	9.34	-63.43
O=C([O-])C1=C2N=CC=C(C(=O)NCCCN3C=[NH+]C4=C3CCCC4)N2N=C1	REAL300006663943	1	47	0.0	-74.02	386.63	9.60	-64.42
O=C([O-])CC1=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)NC2=CC=CC=C21	REAL300006663944	1	52	0.0	-80.34	416.92	11.00	-69.34
O=C([O-])C1=CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=NO1	REAL300006663945	1	41	0.0	-61.38	345.62	7.86	-53.52
O=C([O-])C1(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCCC1	REAL300006663946	1	48	0.0	-56.71	368.91	9.97	-46.74
O=C([O-])C1=CC=C2CCCC(CC(=O)NCCCN3C=[NH+]C4=C3CCCC4)C2=C1	REAL300006663947	1	58	0.0	-71.99	443.66	13.19	-58.80
CC1=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C(C(=O)[O-])O1	REAL300006663948	1	45	0.0	-65.55	367.88	9.43	-56.12
CC1=C(C(=O)[O-])OC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006663949	1	45	0.0	-61.80	369.12	9.27	-52.53
O=C([O-])C1=CN(CC(=O)NCCCN2C=[NH+]C3=C2CCCC3)N=C1	REAL300006663950	1	45	0.0	-80.29	371.48	8.44	-71.85
O=C([O-])C=CC1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)O1	REAL300006663951	1	46	0.0	-64.79	384.32	9.88	-54.91
O=C([O-])C1(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC2(CCC2)C1	REAL300006663952	1	52	0.0	-53.91	395.89	11.00	-42.91
O=C([O-])COC1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1	REAL300006663953	1	49	0.0	-71.88	395.75	10.57	-61.31
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300006663954	1	54	0.0	-79.28	433.06	10.87	-68.41
O=C([O-])CSCCC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663955	1	45	0.0	-69.44	374.58	9.49	-59.95
O=C([O-])C1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)N=C1	REAL300006663956	1	44	0.0	-63.09	362.16	8.56	-54.53
CN1N=C(C(=O)[O-])C=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663957	1	45	0.0	-70.62	367.19	7.95	-62.67
C[C@@H]1C[C@H](C(=O)NCCCN2C=[NH+]C3=C2CCCC3)O[C@H]1C(=O)[O-]	REAL300006663958	1	49	0.0	-78.34	387.12	9.81	-68.53
CC(C)(CCC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663959	1	50	0.0	-75.84	382.71	9.85	-65.99
O=C([O-])CC1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1	REAL300006663960	1	48	0.0	-69.73	386.92	11.07	-58.66
O=C([O-])C=CC1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1	REAL300006663961	1	49	0.0	-73.41	396.82	11.59	-61.82
O=C(C=CC1=CC(C(=O)[O-])=CO1)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663962	1	46	0.0	-72.44	383.82	9.74	-62.70
O=C([O-])CCC1=CC=CC=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663963	1	51	0.0	-77.56	399.75	11.82	-65.74
O=C([O-])C1=C(COCC(=O)NCCCN2C=[NH+]C3=C2CCCC3)OC=N1	REAL300006663964	1	48	0.0	-82.24	397.53	6.04	-76.20
O=C(C=CC1=CC=C(C(=O)[O-])O1)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663965	1	46	0.0	-68.77	385.35	10.11	-58.66
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300006663966	1	48	0.0	-76.89	373.26	9.84	-67.05
CC1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1C(=O)[O-]	REAL300006663967	1	48	0.0	-80.92	380.75	10.83	-70.09
O=C([O-])C1=CN=CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006663968	1	44	0.0	-73.76	359.90	8.50	-65.26
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663969	1	47	0.0	-60.16	376.20	9.16	-51.00
O=C([O-])C1=NN(CC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1	REAL300006663970	1	45	0.0	-89.94	370.82	8.46	-81.48
O=C([O-])C1=NN(CCCC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1	REAL300006663971	1	51	0.0	-90.24	414.43	9.83	-80.41
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663972	1	45	0.0	-65.32	352.14	9.14	-56.18
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCCN2C=[NH+]C3=C2CCCC3)O1	REAL300006663973	1	52	0.0	-79.61	408.50	10.25	-69.36
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663974	1	52	0.0	-71.89	407.57	9.10	-62.79
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663975	1	45	0.0	-65.32	352.14	9.14	-56.18
CC1=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)OC(C(=O)[O-])=C1	REAL300006663976	1	45	0.0	-61.76	368.99	9.37	-52.39
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663977	1	53	0.0	-48.75	387.56	11.62	-37.13
CC(C)C(C(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663978	1	47	0.0	-56.09	360.18	9.39	-46.70
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663979	1	51	0.0	-74.12	378.13	11.06	-63.06
O=C([O-])C1CCC[N@H+](CC(=O)NCCCN2C=NC3=C2CCCC3)C1	REAL300006663980	0	53	0.0	-55.59	403.07	10.06	-45.53
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCN2C=NC3=C2CCCC3)C1	REAL300006663980	1	53	0.0	-53.29	396.88	10.04	-43.25
O=C([O-])C1(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC1C1=CC=CC=C1	REAL300006663981	1	52	0.0	-53.24	404.66	12.13	-41.11
O=C([O-])CC1=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)NC2=CC=CC=C21	REAL300006663982	1	52	0.0	-80.34	416.92	11.00	-69.34
O=C([O-])C1=CN(CC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C2=CC=CC=C12	REAL300006663983	1	52	0.0	-90.21	422.77	12.42	-77.79
O=C([O-])C1CC12CC(C(=O)NCCCN1C=[NH+]C3=C1CCCC3)C2	REAL300006663984	1	49	0.0	-77.23	387.12	10.63	-66.60
O=C([O-])[C@H]1C[C@@H](C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300006663985	1	45	0.0	-74.19	356.91	9.30	-64.89
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663986	1	51	0.0	-78.31	396.55	11.05	-67.26
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663987	1	48	0.0	-62.07	380.78	10.97	-51.10
CC1(C(=O)[O-])CC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300006663988	1	48	0.0	-64.59	373.91	9.70	-54.89
O=C([O-])C1=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=CS1	REAL300006663989	1	42	0.0	-78.86	352.54	10.23	-68.63
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663991	1	47	0.0	-71.53	370.43	9.06	-62.47
CCCC(C(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663992	1	47	0.0	-53.76	364.72	9.69	-44.07
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663993	1	48	0.0	-72.10	380.77	10.97	-61.13
O=C([O-])C1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(Cl)=C1	REAL300006663994	1	45	0.0	-70.79	377.25	10.80	-59.99
O=C([O-])C1CC2(C1)CC(C(=O)NCCCN1C=[NH+]C3=C1CCCC3)C2	REAL300006663995	1	52	0.0	-73.77	405.71	11.15	-62.62
COC1=CC(C(=O)[O-])=NC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006663996	1	48	0.0	-59.28	392.59	7.88	-51.40
CN1C(C(=O)[O-])=CC=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006663997	1	46	0.0	-72.40	367.38	9.51	-62.89
O=C([O-])C1(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC=CC1	REAL300006663998	1	46	0.0	-56.32	361.21	9.83	-46.49
O=C([O-])CCC1=CC=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1	REAL300006663999	1	51	0.0	-71.32	408.32	11.87	-59.45
O=C([O-])CC1(CC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC1	REAL300006664001	1	48	0.0	-63.88	376.31	10.03	-53.85
O=C([O-])C1C(F)(F)C12CC(C(=O)NCCCN1C=[NH+]C3=C1CCCC3)C2	REAL300006664002	1	49	0.0	-70.64	398.82	10.79	-59.85
O=C([O-])C1=NC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=CS1	REAL300006664003	1	41	0.0	-58.68	354.43	7.44	-51.24
C[C@]1(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C[C@H]1C(=O)[O-]	REAL300006664004	1	45	0.0	-72.89	360.12	9.25	-63.64
CC1=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C(C(=O)[O-])S1	REAL300006664005	1	45	0.0	-62.72	374.00	10.13	-52.59
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCCCN1C=[NH+]C3=C1CCCC3)=C2	REAL300006664006	1	45	0.0	-72.79	394.57	10.87	-61.92
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006664007	1	49	0.0	-74.72	402.47	9.97	-64.75
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664008	1	48	0.0	-63.20	388.69	10.59	-52.61
O=C([O-])C1=C2C=C(C(=O)NCCCN3C=[NH+]C4=C3CCCC4)SC2=CC=C1	REAL300006664009	1	48	0.0	-80.63	399.93	11.57	-69.06
O=C([O-])C1=NC=CC=C1CCC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664010	1	50	0.0	-72.88	398.30	9.75	-63.13
O=C([O-])C12CC(C(=O)NCCCN3C=[NH+]C4=C3CCCC4)(C1)OC2	REAL300006664011	1	47	0.0	-66.34	375.20	7.79	-58.55
O=C(/C=C/C1=CC=C(C(=O)[O-])C=C1)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664012	1	49	0.0	-75.73	399.26	11.49	-64.24
CC1CC1(C(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664013	1	45	0.0	-54.42	351.22	9.57	-44.85
O=C([O-])C1(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC2(CCC2)C1	REAL300006664014	1	52	0.0	-53.91	395.89	11.00	-42.91
CN1N=CC(C(=O)[O-])=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664015	1	45	0.0	-68.22	370.73	7.71	-60.51
O=C([O-])C1=CSC2=C1NC(C(=O)NCCCN1C=[NH+]C3=C1CCCC3)=C2	REAL300006664016	1	46	0.0	-63.86	389.93	9.31	-54.55
O=C([O-])C1=CC2=C(C=C(C(=O)NCCCN3C=[NH+]C4=C3CCCC4)N2)S1	REAL300006664017	1	46	0.0	-73.31	390.12	9.44	-63.87
O=C([O-])C1=COC2=C1NC(C(=O)NCCCN1C=[NH+]C3=C1CCCC3)=C2	REAL300006664018	1	46	0.0	-65.23	381.29	8.45	-56.78
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664019	1	48	0.0	-78.42	374.92	10.86	-67.56
O=C(C=CC1=CC=C(C(=O)[O-])N=C1)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664020	1	48	0.0	-77.20	395.04	9.71	-67.49
C=C1CCC1(C(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664021	1	46	0.0	-56.07	366.15	9.67	-46.40
O=C([O-])C1=CSC(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006664022	1	42	0.0	-76.52	357.97	9.31	-67.21
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664023	1	50	0.0	-65.13	385.18	8.55	-56.58
O=C([O-])C1=CC=CC2=C(C(=O)NCCCN3C=[NH+]C4=C3CCCC4)C=CC=C12	REAL300006664024	1	51	0.0	-78.19	400.77	12.36	-65.83
CC(C)[C@]1(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C[C@H]1C(=O)[O-]	REAL300006664025	1	51	0.0	-73.44	392.76	10.47	-62.97
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664026	1	51	0.0	-83.52	406.12	11.44	-72.08
O=C([O-])C1=CSC(CC(=O)NCCCN2C=[NH+]C3=C2CCCC3)=C1	REAL300006664027	1	45	0.0	-79.96	380.96	10.11	-69.85
O=C([O-])C1=CC=C(CC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C=C1F	REAL300006664028	1	48	0.0	-85.13	393.97	11.00	-74.13
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300006664029	1	48	0.0	-65.11	371.39	9.83	-55.28
O=C([O-])C1=C2CCCCC2=C(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)S1	REAL300006664030	1	52	0.0	-66.31	413.75	11.83	-54.48
O=C([O-])C12CCC(C(=O)NCCCN3C=[NH+]C4=C3CCCC4)(CC1)CC2	REAL300006664031	1	55	0.0	-73.44	408.33	11.19	-62.25
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCCCCNS(=O)(=O)CC2)C1	REAL300006664177	0	57	0.0	-51.50	403.01	5.35	-46.15
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCCCCNS(=O)(=O)CC2)C1	REAL300006664177	1	57	0.0	-52.43	405.17	5.72	-46.71
O=C([O-])C1CCC[N@H+](CC(=O)N2CC=CCC3(CCCC3)C2)C1	REAL300006664281	0	51	0.0	-42.44	353.47	9.99	-32.45
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC=CCC3(CCCC3)C2)C1	REAL300006664281	1	51	0.0	-45.62	360.10	10.48	-35.14
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC(Cl)=C2F)C1	REAL300006664399	0	43	0.0	-48.90	351.73	8.27	-40.63
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC(Cl)=C2F)C1	REAL300006664399	1	43	0.0	-50.93	353.63	8.72	-42.21
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(F)C(Br)=C2)C1	REAL300006664526	0	40	0.0	-52.00	343.71	8.08	-43.92
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(F)C(Br)=C2)C1	REAL300006664526	1	40	0.0	-48.86	337.50	8.06	-40.80
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC(F)(F)C1	REAL300006664650	0	47	0.0	-49.62	359.89	6.29	-43.33
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC(F)(F)C1	REAL300006664650	1	47	0.0	-51.45	366.35	6.80	-44.65
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCN1S(C)(=O)=O	REAL300006664775	0	48	0.0	-55.06	358.34	4.62	-50.44
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCN1S(C)(=O)=O	REAL300006664775	1	48	0.0	-51.85	351.66	4.15	-47.70
C=CCN(CC1=CC=CC(F)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006664986	0	47	0.0	-51.02	368.13	11.09	-39.93
C=CCN(CC1=CC=CC(F)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006664986	1	47	0.0	-47.90	373.06	11.06	-36.84
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)[C@@H]2C1	REAL300006665024	0	42	0.0	-67.51	326.49	8.01	-59.50
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)[C@@H]2C1	REAL300006665024	1	42	0.0	-87.16	317.90	7.56	-79.60
C[N@@H+]1C[C@@H]2CCN(C(=O)C3CCCN3S(=O)(=O)C3=CC=C(C(=O)[O-])O3)[C@@H]2C1	REAL300006665025	0	50	0.0	-86.09	398.21	6.45	-79.64
C[N@H+]1C[C@@H]2CCN(C(=O)C3CCCN3S(=O)(=O)C3=CC=C(C(=O)[O-])O3)[C@@H]2C1	REAL300006665025	1	50	0.0	-82.65	389.28	5.23	-77.42
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC=C3SCC3=C(C(=O)[O-])C=CO3)[C@@H]2C1	REAL300006665026	0	49	0.0	-96.16	383.68	10.34	-85.82
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC=C3SCC3=C(C(=O)[O-])C=CO3)[C@@H]2C1	REAL300006665026	1	49	0.0	-93.97	384.16	10.30	-83.67
CC(SC1=CC=CC=C1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)C(=O)[O-]	REAL300006665027	0	45	0.0	-81.84	341.95	9.10	-72.74
CC(SC1=CC=CC=C1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)C(=O)[O-]	REAL300006665027	1	45	0.0	-80.81	348.18	9.35	-71.46
CCOC1=CC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)=CC=C1OCC(=O)[O-]	REAL300006665028	0	49	0.0	-81.44	369.81	8.22	-73.22
CCOC1=CC(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)=CC=C1OCC(=O)[O-]	REAL300006665028	1	49	0.0	-78.24	377.39	8.65	-69.59
C[N@@H+]1C[C@@H]2CCN(C(=O)CCC3=CC=C(C(=O)[O-])C=C3)[C@@H]2C1	REAL300006665029	0	44	0.0	-77.98	342.18	9.50	-68.48
C[N@H+]1C[C@@H]2CCN(C(=O)CCC3=CC=C(C(=O)[O-])C=C3)[C@@H]2C1	REAL300006665029	1	44	0.0	-77.31	342.31	9.49	-67.82
C[N@@H+]1C[C@@H]2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)[C@@H]2C1	REAL300006665030	0	42	0.0	-77.45	329.71	9.17	-68.28
C[N@H+]1C[C@@H]2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)[C@@H]2C1	REAL300006665030	1	42	0.0	-76.84	329.68	9.16	-67.68
C[N@@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)[C@@H]2C1	REAL300006665031	0	46	0.0	-77.19	374.74	4.36	-72.83
C[N@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)[C@@H]2C1	REAL300006665031	1	46	0.0	-76.69	375.64	4.53	-72.16
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)[C@@H]2C1	REAL300006665032	0	40	0.0	-79.19	313.86	7.86	-71.33
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)[C@@H]2C1	REAL300006665032	1	40	0.0	-54.45	315.67	7.92	-46.53
CC1=NN(C2=CC=C(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)C=C2)C(C)=C1CCC(=O)[O-]	REAL300006665033	0	57	0.0	-79.02	433.43	11.20	-67.82
CC1=NN(C2=CC=C(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)C=C2)C(C)=C1CCC(=O)[O-]	REAL300006665033	1	57	0.0	-82.36	426.48	10.91	-71.45
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)[C@@H]2C1	REAL300006665034	0	40	0.0	-79.19	313.86	7.86	-71.33
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)[C@@H]2C1	REAL300006665034	1	40	0.0	-54.45	315.67	7.92	-46.53
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)C=C1	REAL300006665035	0	48	0.0	-78.15	369.54	9.12	-69.03
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)C=C1	REAL300006665035	1	48	0.0	-83.21	362.58	8.84	-74.37
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)[C@@H]2C1	REAL300006665036	0	45	0.0	-75.92	349.76	8.65	-67.27
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)[C@@H]2C1	REAL300006665036	1	45	0.0	-74.20	349.58	8.65	-65.55
C[N@@H+]1C[C@@H]2CCN(C(=O)CCC3=CC=CC=C3C(=O)[O-])[C@@H]2C1	REAL300006665037	0	44	0.0	-63.81	333.36	9.22	-54.59
C[N@H+]1C[C@@H]2CCN(C(=O)CCC3=CC=CC=C3C(=O)[O-])[C@@H]2C1	REAL300006665037	1	44	0.0	-73.80	333.53	9.22	-64.58
CC1=CC(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)=CC(C)=C1OCC(=O)[O-]	REAL300006665038	0	48	0.0	-80.31	358.24	8.95	-71.36
CC1=CC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)=CC(C)=C1OCC(=O)[O-]	REAL300006665038	1	48	0.0	-78.32	359.53	9.00	-69.32
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC(Br)=CC(C(=O)[O-])=C3)[C@@H]2C1	REAL300006665039	0	38	0.0	-81.81	308.56	7.91	-73.90
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC(Br)=CC(C(=O)[O-])=C3)[C@@H]2C1	REAL300006665039	1	38	0.0	-76.95	313.43	8.16	-68.79
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC=C3C3=CC=CC=C3C(=O)[O-])[C@@H]2C1	REAL300006665040	0	48	0.0	-71.80	357.53	11.55	-60.25
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC=C3C3=CC=CC=C3C(=O)[O-])[C@@H]2C1	REAL300006665040	1	48	0.0	-70.55	357.44	11.51	-59.04
C[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)[C@@H]2C1	REAL300006665041	0	48	0.0	-76.32	330.30	8.33	-67.99
C[N@H+]1C[C@@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)[C@@H]2C1	REAL300006665041	1	48	0.0	-75.35	330.00	8.29	-67.06
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)[C@@H]2C1	REAL300006665042	0	40	0.0	-86.89	327.52	6.86	-80.03
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)[C@@H]2C1	REAL300006665042	1	40	0.0	-96.05	325.22	6.74	-89.31
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)[C@@H]2C1	REAL300006665043	0	45	0.0	-75.78	346.41	9.02	-66.76
C[N@H+]1C[C@@H]2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)[C@@H]2C1	REAL300006665043	1	45	0.0	-82.67	339.88	8.93	-73.74
C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CCCC4=CC=C(C(=O)[O-])C=C43)[C@@H]2C1	REAL300006665044	0	51	0.0	-74.83	377.63	11.02	-63.81
C[N@H+]1C[C@@H]2CCN(C(=O)CC3CCCC4=CC=C(C(=O)[O-])C=C43)[C@@H]2C1	REAL300006665044	1	51	0.0	-68.01	375.28	10.85	-57.16
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)[C@@H]2C1	REAL300006665045	0	42	0.0	-72.47	326.32	7.98	-64.49
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)[C@@H]2C1	REAL300006665045	1	42	0.0	-75.75	317.87	7.54	-68.21
C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(C(=O)[O-])=NN3C3=CC=CC=C3)[C@@H]2C1	REAL300006665046	0	47	0.0	-83.39	366.13	8.67	-74.72
C[N@H+]1C[C@@H]2CCN(C(=O)C3CC(C(=O)[O-])=NN3C3=CC=CC=C3)[C@@H]2C1	REAL300006665046	1	47	0.0	-75.75	363.34	8.51	-67.24
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])C=C3)[C@@H]2C1	REAL300006665047	0	42	0.0	-74.17	326.44	8.86	-65.31
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])C=C3)[C@@H]2C1	REAL300006665047	1	42	0.0	-76.06	325.05	8.85	-67.21
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC=C3CCC(=O)[O-])[C@@H]2C1	REAL300006665048	0	44	0.0	-64.88	335.97	9.22	-55.66
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC=C3CCC(=O)[O-])[C@@H]2C1	REAL300006665048	1	44	0.0	-78.43	330.14	9.10	-69.33
C[N@@H+]1C[C@@H]2CCN(C(=O)COCC3=C(C(=O)[O-])N=CO3)[C@@H]2C1	REAL300006665049	0	41	0.0	-78.06	331.81	3.89	-74.17
C[N@H+]1C[C@@H]2CCN(C(=O)COCC3=C(C(=O)[O-])N=CO3)[C@@H]2C1	REAL300006665049	1	41	0.0	-77.19	328.88	3.75	-73.44
C[N@@H+]1C[C@@H]2CCN(C(=O)CCCN3C=CC(C(=O)[O-])=N3)[C@@H]2C1	REAL300006665050	0	44	0.0	-92.49	345.95	7.52	-84.97
C[N@H+]1C[C@@H]2CCN(C(=O)CCCN3C=CC(C(=O)[O-])=N3)[C@@H]2C1	REAL300006665050	1	44	0.0	-92.11	345.76	7.53	-84.58
C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])[C@@H]2C1	REAL300006665051	0	46	0.0	-70.12	321.93	9.37	-60.75
C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])[C@@H]2C1	REAL300006665051	1	46	0.0	-71.74	318.45	9.19	-62.55
C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)[C@@H]2C1	REAL300006665052	0	45	0.0	-71.74	338.61	9.55	-62.19
C[N@H+]1C[C@@H]2CCN(C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)[C@@H]2C1	REAL300006665052	1	45	0.0	-69.65	338.14	9.50	-60.15
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)[C@@H]2C1	REAL300006665053	0	45	0.0	-75.78	346.41	9.02	-66.76
C[N@H+]1C[C@@H]2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)[C@@H]2C1	REAL300006665053	1	45	0.0	-82.67	339.88	8.93	-73.74
C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C=C(C(=O)[O-])C4=CC=CC=C43)[C@@H]2C1	REAL300006665054	0	45	0.0	-90.95	357.17	10.26	-80.69
C[N@H+]1C[C@@H]2CCN(C(=O)CN3C=C(C(=O)[O-])C4=CC=CC=C43)[C@@H]2C1	REAL300006665054	1	45	0.0	-94.60	354.09	10.09	-84.51
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3Cl)[C@@H]2C1	REAL300006665055	0	38	0.0	-75.70	300.05	7.76	-67.94
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3Cl)[C@@H]2C1	REAL300006665055	1	38	0.0	-74.02	300.08	7.79	-66.23
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)=C1	REAL300006665056	0	41	0.0	-58.82	320.96	6.05	-52.77
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)=C1	REAL300006665056	1	41	0.0	-61.02	320.69	5.98	-55.04
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)[C@@H]2C1	REAL300006665057	0	44	0.0	-71.48	338.88	9.28	-62.20
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)[C@@H]2C1	REAL300006665057	1	44	0.0	-74.93	330.45	8.83	-66.10
C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)[C@@H]2C1	REAL300006665058	0	42	0.0	-72.19	332.43	8.63	-63.56
C[N@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)[C@@H]2C1	REAL300006665058	1	42	0.0	-51.51	329.49	8.42	-43.09
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC4=C(SC(C(=O)[O-])=C4)S3)[C@@H]2C1	REAL300006665059	0	38	0.0	-76.85	324.21	8.26	-68.59
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC4=C(SC(C(=O)[O-])=C4)S3)[C@@H]2C1	REAL300006665059	1	38	0.0	-77.98	321.51	8.11	-69.87
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)=C1	REAL300006665060	0	42	0.0	-81.39	325.39	6.96	-74.43
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)=C1	REAL300006665060	1	42	0.0	-77.90	332.73	7.22	-70.68
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21	REAL300006665061	0	41	0.0	-65.64	324.03	8.38	-57.26
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21	REAL300006665061	1	41	0.0	-67.44	320.43	8.28	-59.16
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC4=C(C(=O)[O-])C=CC=C4S3)[C@@H]2C1	REAL300006665062	0	41	0.0	-85.44	325.74	8.79	-76.65
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC4=C(C(=O)[O-])C=CC=C4S3)[C@@H]2C1	REAL300006665062	1	41	0.0	-84.61	326.26	8.79	-75.82
C[N@@H+]1C[C@@H]2CCN(C(=O)CCC3=CC=CN=C3C(=O)[O-])[C@@H]2C1	REAL300006665063	0	43	0.0	-68.50	329.49	7.45	-61.05
C[N@H+]1C[C@@H]2CCN(C(=O)CCC3=CC=CN=C3C(=O)[O-])[C@@H]2C1	REAL300006665063	1	43	0.0	-78.90	329.73	7.46	-71.44
C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)[C@@H]2C1	REAL300006665064	0	42	0.0	-76.60	332.59	9.31	-67.29
C[N@H+]1C[C@@H]2CCN(C(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)[C@@H]2C1	REAL300006665064	1	42	0.0	-76.87	329.82	9.20	-67.67
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)[C@@H]2C1	REAL300006665065	0	39	0.0	-58.42	313.59	7.15	-51.27
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)[C@@H]2C1	REAL300006665065	1	39	0.0	-64.35	317.39	7.11	-57.24
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)[C@@H]2C1	REAL300006665066	0	39	0.0	-75.69	313.88	7.32	-68.37
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)[C@@H]2C1	REAL300006665066	1	39	0.0	-74.30	313.06	7.33	-66.97
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)[C@@H]2C1	REAL300006665067	0	39	0.0	-69.19	310.89	6.44	-62.75
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)[C@@H]2C1	REAL300006665067	1	39	0.0	-60.47	305.37	6.28	-54.19
C[N@@H+]1C[C@@H]2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)[C@@H]2C1	REAL300006665068	0	41	0.0	-78.34	328.54	7.49	-70.85
C[N@H+]1C[C@@H]2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)[C@@H]2C1	REAL300006665068	1	41	0.0	-78.11	326.85	7.54	-70.57
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)[C@@H]2C1	REAL300006665069	0	44	0.0	-81.78	332.51	9.68	-72.10
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)[C@@H]2C1	REAL300006665069	1	44	0.0	-80.75	331.55	9.65	-71.10
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21	REAL300006665070	0	44	0.0	-85.89	338.11	9.23	-76.66
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21	REAL300006665070	1	44	0.0	-85.36	337.45	9.13	-76.23
C[N@@H+]1C[C@@H]2CCN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)[C@@H]2C1	REAL300006665071	0	41	0.0	-85.70	325.12	8.70	-77.00
C[N@H+]1C[C@@H]2CCN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)[C@@H]2C1	REAL300006665071	1	41	0.0	-86.56	325.44	8.71	-77.85
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=C4CCCCC4=C(C(=O)[O-])S3)[C@@H]2C1	REAL300006665072	0	45	0.0	-71.82	342.23	9.25	-62.57
C[N@H+]1C[C@@H]2CCN(C(=O)C3=C4CCCCC4=C(C(=O)[O-])S3)[C@@H]2C1	REAL300006665072	1	45	0.0	-69.68	340.76	9.07	-60.61
C[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)[C@@H]2C1	REAL300006665073	0	48	0.0	-76.32	330.30	8.33	-67.99
C[N@H+]1C[C@@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)[C@@H]2C1	REAL300006665073	1	48	0.0	-75.35	330.00	8.29	-67.06
CC1C2=CC=CC=C2N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1C	REAL300006665115	0	47	0.0	-41.64	342.75	9.99	-31.65
CC1C2=CC=CC=C2N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1C	REAL300006665115	1	47	0.0	-44.05	343.64	10.44	-33.61
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C(O)C=CC=C2Br)C1	REAL300006665270	0	41	0.0	-47.26	344.60	5.11	-42.15
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C(O)C=CC=C2Br)C1	REAL300006665270	1	41	0.0	-49.88	344.47	5.12	-44.76
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC(Cl)=CC(Cl)=C2)C1	REAL300006665403	0	44	0.0	-51.32	377.78	9.85	-41.47
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC(Cl)=CC(Cl)=C2)C1	REAL300006665403	1	44	0.0	-50.53	377.11	9.84	-40.69
COC1=CC=C2CCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300006665518	0	51	0.0	-51.58	386.06	8.53	-43.05
COC1=CC=C2CCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300006665518	1	51	0.0	-52.03	387.24	8.56	-43.47
COC1C2CCCC2C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006665593	0	48	0.0	-44.28	352.23	6.37	-37.91
COC1C2CCCC2C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006665593	1	48	0.0	-49.72	350.02	6.71	-43.01
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(F)=CC3=C2OCCC3)C1	REAL300006665697	1	45	0.0	-50.34	342.95	8.16	-42.18
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(F)=CC3=C2OCCC3)C1	REAL300006665697	1	45	0.0	-47.25	342.91	7.71	-39.54
CN(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300006665822	0	44	0.0	-56.94	352.01	2.38	-54.56
CN(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300006665822	1	44	0.0	-58.95	355.12	2.44	-56.51
CC(C)(C)C1=CN=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006665940	0	51	0.0	-48.43	381.90	7.90	-40.53
CC(C)(C)C1=CN=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006665940	1	51	0.0	-49.82	388.11	7.92	-41.90
CS(=O)(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006666065	0	48	0.0	-55.58	364.04	3.49	-52.09
CS(=O)(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006666065	1	48	0.0	-57.79	370.23	3.51	-54.28
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(Br)C=C(F)C=C3C2)C1	REAL300006666179	0	44	0.0	-52.28	357.49	10.26	-42.02
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(Br)C=C(F)C=C3C2)C1	REAL300006666179	1	44	0.0	-51.10	357.64	10.24	-40.86
CN(CCC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006666279	0	46	0.0	-49.87	362.82	10.33	-39.54
CN(CCC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006666279	1	46	0.0	-50.30	362.43	10.33	-39.97
CC(C)(C)OCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300006666381	0	53	0.0	-47.14	387.98	9.22	-37.92
CC(C)(C)OCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300006666381	1	53	0.0	-44.50	382.69	9.35	-35.15
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3)CCOC2)C1	REAL300006666493	0	51	0.0	-45.91	372.75	7.99	-37.92
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3)CCOC2)C1	REAL300006666493	1	51	0.0	-47.06	374.59	8.48	-38.58
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCOC(C3=CC=CC=C3Cl)C2)C1	REAL300006666620	0	51	0.0	-44.85	388.57	10.42	-34.43
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCOC(C3=CC=CC=C3Cl)C2)C1	REAL300006666620	1	51	0.0	-49.76	389.71	10.87	-38.89
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C3CCOCC3)C=C2F)C1	REAL300006666745	1	51	0.0	-47.13	382.10	8.83	-38.30
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C3CCOCC3)C=C2F)C1	REAL300006666745	1	51	0.0	-47.93	382.11	8.38	-39.55
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006667912	0	62	0.0	-59.31	442.74	12.75	-46.56
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006668545	0	59	0.0	-51.09	423.21	12.13	-38.96
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006668545	1	59	0.0	-49.38	420.27	11.94	-37.44
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300006669436	0	56	0.0	-79.63	395.43	10.61	-69.02
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300006669462	0	53	0.0	-67.28	378.03	9.99	-57.29
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300006669462	1	53	0.0	-48.42	370.51	9.77	-38.65
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C3)CN12	REAL300006669468	1	54	0.0	-69.68	388.32	10.15	-59.53
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300006669469	0	62	0.0	-52.67	440.18	12.52	-40.15
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006669550	0	52	0.0	-50.67	353.93	8.82	-41.85
C[N@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006669550	1	52	0.0	-52.04	361.96	9.18	-42.86
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)N1CC[NH+](C)CC1	REAL300006669551	1	57	0.0	-60.55	397.78	7.58	-52.97
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006669593	0	52	0.0	-50.17	361.49	9.19	-40.98
C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006669593	1	52	0.0	-51.16	350.89	8.65	-42.51
C[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006669681	0	52	0.0	-60.07	366.12	9.22	-50.85
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300006669706	0	47	0.0	-54.84	355.68	10.93	-43.91
C[NH+](C)CC1(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CCCCC1	REAL300006669739	0	61	0.0	-54.49	397.78	10.70	-43.79
C[N@H+](CCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1CCCCC1	REAL300006669744	0	61	0.0	-54.66	419.90	11.26	-43.40
C[N@@H+](CCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1CCCCC1	REAL300006669744	1	61	0.0	-54.80	419.89	11.25	-43.55
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300006669761	1	59	0.0	-51.12	425.01	11.81	-39.31
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300006669761	1	59	0.0	-51.03	424.44	11.77	-39.26
C[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006669814	0	52	0.0	-60.07	366.12	9.22	-50.85
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300006669819	0	55	0.0	-62.37	409.37	9.86	-52.51
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300006669842	0	62	0.0	-48.53	411.53	11.19	-37.34
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300006669842	1	62	0.0	-49.20	414.88	11.35	-37.85
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300006669843	0	63	0.0	-60.33	431.95	9.72	-50.61
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006669876	1	53	0.0	-55.53	392.47	10.55	-44.98
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300006669877	1	59	0.0	-61.80	419.79	9.24	-52.56
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C=C1)C(C)C	REAL300006669880	0	64	0.0	-61.06	444.01	12.21	-48.85
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C=C1)C(C)C	REAL300006669880	1	64	0.0	-61.14	440.58	12.24	-48.90
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006669930	0	59	0.0	-56.96	422.24	11.95	-45.01
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006669930	1	59	0.0	-56.98	421.99	11.89	-45.09
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300006669931	0	60	0.0	-62.47	425.92	11.36	-51.11
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300006669956	0	63	0.0	-56.82	418.24	9.60	-47.22
CCC(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[NH+](CC)CC	REAL300006669960	0	57	0.0	-48.27	382.47	9.80	-38.47
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300006669962	0	58	0.0	-50.95	415.36	11.60	-39.35
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006669962	1	58	0.0	-52.31	415.32	11.59	-40.72
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C=N1	REAL300006669994	0	54	0.0	-64.57	395.15	9.24	-55.33
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670003	0	63	0.0	-57.96	439.61	11.58	-46.38
CC[N@H+](C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1=CC=CC=C1	REAL300006670004	0	58	0.0	-48.91	411.45	11.57	-37.34
CC[N@@H+](C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1=CC=CC=C1	REAL300006670004	1	58	0.0	-51.55	408.00	11.93	-39.62
C[N@@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006670006	1	50	0.0	-50.25	347.58	7.68	-42.57
C[N@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006670006	1	50	0.0	-53.45	347.52	7.67	-45.78
CC[NH+](CC)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1=CC=CC=C1	REAL300006670009	0	61	0.0	-50.72	417.34	11.90	-38.82
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670018	1	53	0.0	-50.32	387.95	10.38	-39.94
C[NH+](C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1=CC=C(Cl)C=C1	REAL300006670023	1	55	0.0	-51.94	406.40	11.33	-40.61
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300006670036	0	59	0.0	-87.86	424.92	11.96	-75.90
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300006670044	0	62	0.0	-62.29	442.41	12.71	-49.58
C[NH+](C)CC1(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670050	0	52	0.0	-49.88	369.79	9.18	-40.70
C[NH+](C)CCCCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670059	0	54	0.0	-60.75	386.85	9.80	-50.95
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[NH+](C)C	REAL300006670068	0	54	0.0	-52.87	361.85	9.10	-43.77
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006670081	0	62	0.0	-48.07	437.90	12.69	-35.38
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006670081	1	62	0.0	-48.13	430.80	12.40	-35.73
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C=NN1C1=CC=[NH+]C=C1	REAL300006670083	1	53	0.0	-70.16	396.43	9.19	-60.97
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300006670091	0	62	0.0	-88.16	441.67	12.66	-75.50
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300006670105	1	55	0.0	-70.34	403.03	10.09	-60.25
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C=C1	REAL300006670106	0	58	0.0	-89.35	422.60	11.65	-77.70
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670118	1	51	0.0	-47.18	374.55	8.25	-38.93
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006670120	1	60	0.0	-55.55	431.78	11.47	-44.08
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006670120	1	60	0.0	-54.69	424.84	11.28	-43.41
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1CCC1	REAL300006670151	0	52	0.0	-50.04	367.59	9.57	-40.47
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1CCC1	REAL300006670151	1	52	0.0	-49.91	367.61	9.57	-40.34
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[NH+]1CCSCC1	REAL300006670174	1	53	0.0	-50.75	378.09	9.57	-41.18
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)CC(C)(C)C	REAL300006670180	0	57	0.0	-50.49	391.11	10.09	-40.40
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)CC(C)(C)C	REAL300006670180	1	57	0.0	-50.29	391.16	10.11	-40.18
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670182	0	58	0.0	-56.63	421.31	12.09	-44.54
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670182	1	58	0.0	-55.71	420.62	12.05	-43.66
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670183	0	62	0.0	-56.35	449.66	8.29	-48.06
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670183	1	62	0.0	-57.28	449.67	8.29	-48.99
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006670188	0	56	0.0	-56.70	388.98	8.07	-48.63
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006670188	1	56	0.0	-56.71	392.43	8.04	-48.67
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300006670209	1	61	0.0	-52.14	422.53	10.46	-41.68
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300006670209	1	61	0.0	-52.24	425.82	10.64	-41.60
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300006670210	1	61	0.0	-51.06	422.48	10.44	-40.62
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300006670210	1	61	0.0	-48.89	432.94	10.84	-38.05
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670212	0	60	0.0	-52.64	425.21	11.37	-41.27
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670212	1	60	0.0	-53.58	425.90	11.40	-42.18
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300006670222	0	53	0.0	-50.27	358.13	8.92	-41.35
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300006670230	1	47	0.0	-59.50	355.79	10.98	-48.52
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1CCSC1	REAL300006670244	0	53	0.0	-55.28	380.84	9.84	-45.44
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1CCSC1	REAL300006670244	1	53	0.0	-55.75	381.54	9.90	-45.85
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670260	0	63	0.0	-58.32	437.56	8.86	-49.46
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670260	1	63	0.0	-54.92	433.66	8.67	-46.25
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670261	0	66	0.0	-59.95	454.38	9.40	-50.55
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670261	1	66	0.0	-58.26	454.85	9.42	-48.84
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300006670262	0	56	0.0	-47.33	387.12	10.36	-36.97
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300006670262	1	56	0.0	-46.66	386.86	10.38	-36.28
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C=N1	REAL300006670264	0	55	0.0	-70.14	403.24	8.78	-61.36
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300006670275	0	61	0.0	-78.07	428.73	11.04	-67.03
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300006670275	1	61	0.0	-58.65	428.42	11.01	-47.64
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006670280	1	59	0.0	-50.27	417.97	11.97	-38.30
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006670280	1	59	0.0	-50.16	418.20	11.93	-38.23
CCC(CC)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1	REAL300006670297	1	65	0.0	-48.44	422.72	9.39	-39.05
CCCC(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[NH+](C)C	REAL300006670301	0	54	0.0	-51.77	371.93	9.31	-42.46
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006670303	0	62	0.0	-60.70	446.52	12.90	-47.80
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006670303	1	62	0.0	-61.30	447.60	12.94	-48.36
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=N1	REAL300006670318	0	55	0.0	-64.95	403.37	9.42	-55.53
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670319	0	55	0.0	-61.76	399.00	8.85	-52.91
C[C@@H]1[C@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC[N@@H+]1C	REAL300006670324	0	52	0.0	-55.24	356.57	8.54	-46.70
C[C@@H]1[C@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC[N@H+]1C	REAL300006670324	1	52	0.0	-54.57	363.55	8.85	-45.72
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670326	1	56	0.0	-51.68	408.14	10.92	-40.76
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC[N@@H+]1C	REAL300006670329	0	55	0.0	-57.94	380.01	9.29	-48.65
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC[N@H+]1C	REAL300006670329	1	55	0.0	-54.03	377.74	9.58	-44.45
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=NN1	REAL300006670331	1	56	0.0	-67.97	404.23	8.96	-59.01
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=NN1	REAL300006670331	1	56	0.0	-67.78	405.18	8.96	-58.82
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670332	0	51	0.0	-47.00	366.58	9.38	-37.62
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670332	1	51	0.0	-48.71	369.33	9.62	-39.09
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)O1	REAL300006670339	1	53	0.0	-87.00	369.56	8.58	-78.42
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)O1	REAL300006670339	1	53	0.0	-51.00	367.77	8.40	-42.60
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300006670345	1	58	0.0	-48.13	418.71	10.49	-37.64
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300006670345	1	58	0.0	-48.71	413.57	9.89	-38.82
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670349	1	47	0.0	-50.99	350.93	9.21	-41.78
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670351	0	56	0.0	-56.19	392.82	8.23	-47.96
CC1CC[NH+](CC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670366	0	55	0.0	-50.72	384.10	10.08	-40.64
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006670378	1	53	0.0	-53.20	372.14	8.50	-44.70
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006670378	1	53	0.0	-85.87	373.73	8.54	-77.33
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300006670417	0	62	0.0	-53.71	423.87	11.38	-42.33
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300006670417	1	62	0.0	-76.30	426.04	11.50	-64.80
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670424	0	55	0.0	-54.18	389.66	10.19	-43.99
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670424	1	55	0.0	-58.30	384.16	9.73	-48.57
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300006670437	0	56	0.0	-52.22	369.09	9.29	-42.93
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670439	0	53	0.0	-48.74	355.54	5.26	-43.48
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670439	1	53	0.0	-56.15	361.55	4.97	-51.18
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300006670440	0	56	0.0	-47.02	381.08	10.10	-36.92
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300006670440	1	56	0.0	-47.71	381.16	10.05	-37.66
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300006670447	0	59	0.0	-56.41	392.60	8.13	-48.28
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C=N1	REAL300006670452	0	62	0.0	-64.90	440.05	9.93	-54.97
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C=N1	REAL300006670452	1	62	0.0	-90.63	447.02	10.37	-80.26
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670464	0	58	0.0	-54.93	398.90	10.32	-44.61
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C23CC[NH+](CC2)C3)C1	REAL300006670544	0	50	0.0	-57.70	345.75	7.86	-49.84
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300006670554	0	53	0.0	-51.86	352.07	8.33	-43.53
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300006670554	1	53	0.0	-83.02	354.14	8.49	-74.53
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670602	0	55	0.0	-47.45	378.60	9.50	-37.95
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=C1	REAL300006670603	0	55	0.0	-62.74	400.79	10.84	-51.90
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006670604	0	62	0.0	-71.46	433.15	12.76	-58.70
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006670604	1	62	0.0	-50.69	432.08	12.56	-38.13
C[NH+](C)C1(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CCC1	REAL300006670644	0	52	0.0	-47.57	346.45	8.43	-39.14
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670675	0	54	0.0	-58.36	391.22	10.38	-47.98
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670677	0	58	0.0	-49.46	393.51	10.22	-39.24
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670677	1	58	0.0	-49.03	400.52	10.51	-38.52
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670678	0	55	0.0	-64.39	397.72	10.85	-53.54
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670680	0	60	0.0	-60.25	420.31	8.31	-51.94
CCN1CC[NH+](CCC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670680	1	60	0.0	-55.03	420.09	8.32	-46.71
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[NH+]1CCCCC1	REAL300006670681	0	61	0.0	-48.42	403.76	10.97	-37.45
C[NH+](C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1=CC=CC=C1	REAL300006670682	1	55	0.0	-52.00	393.42	10.88	-41.12
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006670686	0	60	0.0	-53.99	433.34	9.07	-44.92
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006670686	1	60	0.0	-55.71	431.97	8.93	-46.78
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670691	1	56	0.0	-50.53	406.91	10.80	-39.73
C[NH+](C)CC1=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)OC2=CC=CC=C21	REAL300006670692	0	58	0.0	-65.09	424.14	11.48	-53.61
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300006670698	0	59	0.0	-49.79	400.38	10.98	-38.81
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300006670698	1	59	0.0	-48.06	406.34	10.93	-37.13
CC[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1CC1	REAL300006670700	0	52	0.0	-50.11	362.63	9.18	-40.93
CC[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)C1CC1	REAL300006670700	1	52	0.0	-49.51	366.96	9.41	-40.10
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[NH+]1CC(C)OC(C)C1	REAL300006670729	1	65	0.0	-49.24	437.78	10.22	-39.02
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[NH+]1CCCCCC1	REAL300006670730	0	58	0.0	-49.70	387.04	10.01	-39.69
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C3)=CC=C1N2	REAL300006670772	1	60	0.0	-62.83	434.61	11.18	-51.65
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C3)=CC=C1N2	REAL300006670772	1	60	0.0	-71.52	433.59	11.15	-60.37
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)O1	REAL300006670822	0	58	0.0	-53.93	419.09	10.73	-43.20
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300006670823	0	58	0.0	-60.06	411.90	10.89	-49.17
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C3)CC2)[NH+]=C1	REAL300006670825	1	61	0.0	-54.11	434.90	10.43	-43.68
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)CC1=CC=CC=C1	REAL300006670826	1	55	0.0	-54.63	398.83	11.23	-43.40
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)CC1=CC=CC=C1	REAL300006670826	1	55	0.0	-53.48	398.20	11.20	-42.28
CC(C)[C@@H](C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1)[NH+](C)C	REAL300006670837	0	54	0.0	-51.77	358.30	9.23	-42.54
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300006670855	1	50	0.0	-69.47	379.59	8.82	-60.65
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=NO1	REAL300006670884	1	51	0.0	-72.48	377.83	8.95	-63.53
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670888	0	62	0.0	-54.14	443.46	12.48	-41.66
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670888	1	62	0.0	-51.38	443.60	12.51	-38.87
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670902	0	55	0.0	-47.87	379.80	9.53	-38.34
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006670902	1	55	0.0	-48.79	378.52	9.49	-39.30
C[NH+]1CCC(OCC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006670928	0	56	0.0	-63.20	401.41	9.78	-53.42
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006670933	0	59	0.0	-56.08	424.04	11.14	-44.94
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006671125	0	58	0.0	-55.45	404.87	10.54	-44.91
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006671125	1	58	0.0	-66.87	395.77	10.61	-56.26
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006671156	0	58	0.0	-48.71	402.57	10.60	-38.11
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006671156	1	58	0.0	-47.94	398.98	10.24	-37.70
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300006671157	0	56	0.0	-53.46	394.91	6.78	-46.68
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300006671263	0	63	0.0	-49.99	444.87	12.80	-37.19
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300006671263	1	63	0.0	-51.20	446.05	12.78	-38.42
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006671393	0	58	0.0	-52.57	391.56	10.45	-42.12
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006671393	1	58	0.0	-52.23	391.59	10.24	-41.99
C[N@@H+]1CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C(C(F)(F)F)C1	REAL300006671394	0	52	0.0	-65.27	370.20	8.86	-56.41
C[N@H+]1CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C(C(F)(F)F)C1	REAL300006671394	1	52	0.0	-58.99	375.36	8.83	-50.16
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)N1	REAL300006671420	1	53	0.0	-50.89	391.72	8.94	-41.95
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=C1	REAL300006671917	0	58	0.0	-65.90	423.29	11.68	-54.22
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C=C1	REAL300006671924	0	59	0.0	-64.73	428.13	10.54	-54.19
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006672061	0	52	0.0	-59.61	371.35	9.37	-50.24
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)CC1	REAL300006672065	0	58	0.0	-59.43	390.82	10.09	-49.34
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006672133	0	61	0.0	-51.56	423.07	11.32	-40.24
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006672133	1	61	0.0	-51.56	423.07	11.32	-40.24
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006672134	0	55	0.0	-54.93	382.95	9.80	-45.13
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006672134	1	55	0.0	-54.93	382.95	9.80	-45.13
C[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006672138	0	52	0.0	-67.00	357.06	9.29	-57.71
C[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006672138	1	52	0.0	-67.00	357.06	9.29	-57.71
CN(C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)O1	REAL300006672140	0	52	0.0	-58.80	383.52	9.37	-49.43
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)O1	REAL300006672140	1	52	0.0	-58.80	383.52	9.37	-49.43
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006672146	0	61	0.0	-52.83	396.78	9.66	-43.17
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C1	REAL300006672146	1	61	0.0	-52.83	396.78	9.66	-43.17
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300006672149	0	54	0.0	-46.66	375.52	10.72	-35.94
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300006672153	0	47	0.0	-75.97	353.32	9.76	-66.21
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300006672153	1	47	0.0	-75.97	353.32	9.76	-66.21
O=C([O-])COC1=CC=CC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300006672154	0	51	0.0	-84.03	383.15	10.04	-73.99
O=C([O-])COC1=CC=CC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=C1	REAL300006672154	1	51	0.0	-84.03	383.15	10.04	-73.99
O=C([O-])C1=CC=CC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300006672155	0	47	0.0	-87.24	353.34	9.75	-77.49
O=C([O-])C1=CC=CC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=C1	REAL300006672155	1	47	0.0	-87.24	353.34	9.75	-77.49
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)S1	REAL300006672156	0	44	0.0	-66.73	346.38	8.93	-57.80
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)S1	REAL300006672156	1	44	0.0	-66.73	346.38	8.93	-57.80
O=C([O-])C1=CC=CC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=N1	REAL300006672157	0	46	0.0	-57.51	350.19	8.04	-49.47
O=C([O-])C1=CC=CC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=N1	REAL300006672157	1	46	0.0	-57.51	350.19	8.04	-49.47
CC(SC1=CC=CC=C1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300006672158	0	54	0.0	-84.81	405.45	11.54	-73.27
CC(SC1=CC=CC=C1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300006672158	1	54	0.0	-84.81	405.45	11.54	-73.27
CCOC1=CC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=CC=C1OCC(=O)[O-]	REAL300006672159	0	58	0.0	-81.51	434.16	10.73	-70.78
CCOC1=CC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=CC=C1OCC(=O)[O-]	REAL300006672159	1	58	0.0	-81.51	434.16	10.73	-70.78
O=C([O-])C1=CC=C(CCC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300006672160	0	53	0.0	-79.47	398.15	11.25	-68.22
O=C([O-])C1=CC=C(CCC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300006672160	1	53	0.0	-79.47	398.15	11.25	-68.22
O=C([O-])C1=CC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=CC=N1	REAL300006672161	0	46	0.0	-89.71	349.42	7.98	-81.73
O=C([O-])C1=CC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=CC=N1	REAL300006672161	1	46	0.0	-89.71	349.42	7.98	-81.73
O=C([O-])C1=CC=C(C=CC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300006672162	0	51	0.0	-79.96	386.63	10.95	-69.01
O=C([O-])C1=CC=C(C=CC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300006672162	1	51	0.0	-79.96	386.63	10.95	-69.01
O=C([O-])C1=CC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=CC([N+](=O)[O-])=C1	REAL300006672163	0	49	0.0	-78.11	380.28	10.43	-67.68
O=C([O-])C1=CC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=CC([N+](=O)[O-])=C1	REAL300006672163	1	49	0.0	-78.11	380.28	10.43	-67.68
O=C([O-])C1=CC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=CC([N+](=O)[O-])=C1	REAL300006672164	0	49	0.0	-78.11	380.28	10.43	-67.68
O=C([O-])C1=CC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=CC([N+](=O)[O-])=C1	REAL300006672164	1	49	0.0	-78.11	380.28	10.43	-67.68
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300006672165	0	57	0.0	-83.14	428.30	11.33	-71.81
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300006672165	1	57	0.0	-83.14	428.30	11.33	-71.81
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300006672166	0	54	0.0	-74.28	409.91	10.78	-63.50
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=C1	REAL300006672166	1	54	0.0	-74.28	409.91	10.78	-63.50
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)O1	REAL300006672167	0	44	0.0	-60.60	338.51	8.16	-52.44
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)O1	REAL300006672167	1	44	0.0	-60.60	338.51	8.16	-52.44
O=C([O-])C1=CC=CC=C1CCC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300006672168	0	53	0.0	-69.63	389.51	10.98	-58.65
O=C([O-])C1=CC=CC=C1CCC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300006672168	1	53	0.0	-69.63	389.51	10.98	-58.65
CC1=CC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006672169	0	57	0.0	-78.85	424.89	11.51	-67.34
CC1=CC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006672169	1	57	0.0	-78.85	424.89	11.51	-67.34
O=C([O-])C1=CC(CC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=CC=C1	REAL300006672170	0	50	0.0	-84.83	376.76	10.43	-74.40
O=C([O-])C1=CC(CC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=CC=C1	REAL300006672170	1	50	0.0	-84.83	376.76	10.43	-74.40
O=C([O-])C1CCCC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1	REAL300006672171	0	53	0.0	-83.28	377.67	9.98	-73.30
O=C([O-])C1CCCC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C1	REAL300006672171	1	53	0.0	-83.28	377.67	9.98	-73.30
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C=N1	REAL300006672172	0	46	0.0	-75.04	347.98	7.99	-67.05
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C=N1	REAL300006672172	1	46	0.0	-75.04	347.98	7.99	-67.05
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)N=C1	REAL300006672173	0	46	0.0	-63.84	349.52	8.03	-55.81
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)N=C1	REAL300006672173	1	46	0.0	-63.84	349.52	8.03	-55.81
CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300006672174	0	52	0.0	-74.03	361.23	9.20	-64.83
CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300006672174	1	52	0.0	-74.03	361.23	9.20	-64.83
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(F)=C1	REAL300006672175	0	47	0.0	-76.83	356.62	9.84	-66.99
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(F)=C1	REAL300006672175	1	47	0.0	-76.83	356.62	9.84	-66.99
O=C([O-])C1=CN=C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C=N1	REAL300006672176	0	45	0.0	-66.87	345.07	6.17	-60.70
O=C([O-])C1=CN=C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C=N1	REAL300006672176	1	45	0.0	-66.87	345.07	6.17	-60.70
O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1	REAL300006672177	0	53	0.0	-74.27	376.88	9.97	-64.30
O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CC1	REAL300006672177	1	53	0.0	-74.27	376.88	9.97	-64.30
O=C([O-])C1CCC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1	REAL300006672178	0	53	0.0	-75.22	378.22	10.00	-65.22
O=C([O-])C1CCC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CC1	REAL300006672178	1	53	0.0	-75.22	378.22	10.00	-65.22
O=C([O-])C1=CC=C(CC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300006672179	0	50	0.0	-87.90	376.75	10.44	-77.46
O=C([O-])C1=CC=C(CC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300006672179	1	50	0.0	-87.90	376.75	10.44	-77.46
O=C([O-])C1=CN(CC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)N=N1	REAL300006672180	0	46	0.0	-89.09	353.90	6.43	-82.66
O=C([O-])C1=CN(CC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)N=N1	REAL300006672180	1	46	0.0	-89.09	353.90	6.43	-82.66
CC1=NC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=CC=C1C(=O)[O-]	REAL300006672181	0	49	0.0	-64.23	365.75	8.57	-55.66
CC1=NC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=CC=C1C(=O)[O-]	REAL300006672181	1	49	0.0	-64.23	365.75	8.57	-55.66
O=C([O-])C1=CC(Br)=CC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300006672182	0	47	0.0	-79.04	373.39	10.37	-68.67
O=C([O-])C1=CC(Br)=CC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=C1	REAL300006672182	1	47	0.0	-79.04	373.39	10.37	-68.67
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300006672183	0	47	0.0	-75.97	353.32	9.76	-66.21
O=C([O-])C1=CC=C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300006672183	1	47	0.0	-75.97	353.32	9.76	-66.21
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1	REAL300006672184	0	50	0.0	-80.87	359.73	9.31	-71.56
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C1	REAL300006672184	1	50	0.0	-80.87	359.73	9.31	-71.56
O=C([O-])CC1=CC=CC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300006672185	0	50	0.0	-79.48	374.26	10.53	-68.95
O=C([O-])CC1=CC=CC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=C1	REAL300006672185	1	50	0.0	-79.48	374.26	10.53	-68.95
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300006672186	0	57	0.0	-70.46	419.38	13.12	-57.34
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300006672186	1	57	0.0	-70.46	419.38	13.12	-57.34
O=C([O-])CC1=C(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C=CO1	REAL300006672187	0	47	0.0	-76.80	354.53	8.67	-68.13
O=C([O-])CC1=C(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C=CO1	REAL300006672187	1	47	0.0	-76.80	354.53	8.67	-68.13
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300006672188	0	50	0.0	-54.30	381.39	9.31	-44.99
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300006672188	1	50	0.0	-54.30	381.39	9.31	-44.99
O=C([O-])C1=CC=NC(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300006672189	0	46	0.0	-72.77	349.68	8.05	-64.72
O=C([O-])C1=CC=NC(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)=C1	REAL300006672189	1	46	0.0	-72.77	349.68	8.05	-64.72
O=C([O-])C12CC(C(=O)N[C@H]3CCC[N@@H+](C4CCCC4)C3)(C1)C2	REAL300006672190	0	48	0.0	-73.18	355.53	9.33	-63.85
O=C([O-])C12CC(C(=O)N[C@H]3CCC[N@H+](C4CCCC4)C3)(C1)C2	REAL300006672190	1	48	0.0	-73.18	355.53	9.33	-63.85
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CC(C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006675162	1	51	0.0	-61.67	363.01	7.76	-53.91
CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675196	0	46	0.0	-58.71	338.90	9.87	-48.84
CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675196	1	46	0.0	-54.58	344.30	10.11	-44.47
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675236	0	59	0.0	-76.85	457.95	13.32	-63.53
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CN(C(=O)C1=CN2C=[NH+]C=C2C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675294	0	41	0.0	-67.81	331.07	11.76	-56.05
CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675323	0	55	0.0	-82.00	375.86	11.28	-70.72
CN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675327	0	55	0.0	-67.86	404.33	12.29	-55.57
CN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675327	1	55	0.0	-67.00	404.32	12.27	-54.73
CN(C(=O)C1CC[NH+](C)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675384	0	46	0.0	-60.78	347.81	10.00	-50.78
CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675387	0	49	0.0	-77.63	394.01	10.95	-66.68
CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675402	0	57	0.0	-51.61	406.00	10.51	-41.10
CC1=[NH+]C=CN1CCCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675431	1	47	0.0	-67.35	375.36	11.57	-55.78
CN(C(=O)CCCC[NH+]1CCOCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675432	1	53	0.0	-73.86	402.66	10.26	-63.60
CC[N@H+](CC1=CC=C(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1)C(C)C	REAL300006675434	0	58	0.0	-78.58	424.38	13.27	-65.31
CC[N@@H+](CC1=CC=C(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1)C(C)C	REAL300006675434	1	58	0.0	-75.61	419.63	12.86	-62.75
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675471	0	53	0.0	-68.18	403.05	12.85	-55.33
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675471	1	53	0.0	-69.35	410.47	12.99	-56.36
CN(C(=O)C1CC[NH+](C2CCSC2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675472	0	54	0.0	-63.65	407.02	12.23	-51.42
CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675500	0	57	0.0	-67.34	400.62	10.41	-56.93
CCC(C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[NH+](CC)CC	REAL300006675504	0	51	0.0	-55.38	366.90	10.84	-44.54
CC(C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006675506	0	52	0.0	-62.68	398.37	12.51	-50.17
CC(C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006675506	1	52	0.0	-58.18	395.02	12.42	-45.76
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675515	0	59	0.0	-63.23	446.89	14.48	-48.75
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675515	1	59	0.0	-63.45	425.79	14.15	-49.30
CN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675528	0	48	0.0	-75.68	375.53	9.75	-65.93
CCC[NH+](CCC)CCCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675534	0	57	0.0	-69.91	423.95	12.52	-57.39
CN(C(=O)C1C[N@H+](C)CCO1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675536	1	44	0.0	-51.29	330.63	8.74	-42.55
CN(C(=O)C1C[N@@H+](C)CCO1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675536	1	44	0.0	-71.82	313.66	8.36	-63.46
CC(C)C1=[NH+]C=CN1CC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675544	1	47	0.0	-58.30	366.01	11.12	-47.18
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675559	0	53	0.0	-79.27	407.56	12.99	-66.28
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675565	0	56	0.0	-71.22	422.45	13.65	-57.57
CN(C(=O)C1(C[NH+](C)C)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675571	0	46	0.0	-72.50	351.39	10.00	-62.50
CN(C(=O)CCCC[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675580	0	48	0.0	-73.82	371.21	10.73	-63.09
CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675590	1	57	0.0	-78.72	431.43	13.03	-65.69
CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675590	1	57	0.0	-78.22	438.78	13.16	-65.06
CC1=C(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006675602	1	47	0.0	-75.80	376.98	10.07	-65.73
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675605	0	56	0.0	-79.97	424.30	13.60	-66.37
CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675617	1	49	0.0	-76.64	385.47	11.03	-65.61
CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675618	0	52	0.0	-82.24	405.24	12.69	-69.55
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675624	1	45	0.0	-57.18	356.04	9.11	-48.07
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675625	1	54	0.0	-58.13	407.88	12.21	-45.92
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675625	1	54	0.0	-64.29	415.02	12.48	-51.81
CN(C(=O)C[N@H+](C)C1CCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675645	0	46	0.0	-57.08	350.56	10.58	-46.50
CN(C(=O)C[N@@H+](C)C1CCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675645	1	46	0.0	-59.03	352.07	10.53	-48.50
CC(C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300006675668	1	47	0.0	-61.18	360.71	10.53	-50.65
CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675674	0	51	0.0	-58.49	373.67	11.06	-47.43
CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675674	1	51	0.0	-60.17	373.67	11.05	-49.12
CN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675676	0	52	0.0	-63.18	404.97	13.08	-50.10
CN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675676	1	52	0.0	-62.81	403.03	12.96	-49.85
COCCOCC[N@H+](C)CCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675677	0	56	0.0	-66.26	432.05	9.18	-57.08
COCCOCC[N@@H+](C)CCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675677	1	56	0.0	-69.96	434.09	9.32	-60.64
CN(C(=O)CC1(O)CCC[N@H+](C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675681	0	50	0.0	-68.34	362.11	8.92	-59.42
CN(C(=O)CC1(O)CCC[N@@H+](C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675681	1	50	0.0	-66.83	366.26	8.73	-58.10
CCCCCC[N@H+](C)CC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675693	0	54	0.0	-62.14	409.58	12.31	-49.83
CCCCCC[N@@H+](C)CC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675693	1	54	0.0	-60.52	408.13	12.38	-48.14
CN(C(=O)C1=CC2=C[NH+]=CN2C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675707	1	41	0.0	-73.40	332.61	11.73	-61.67
CN(C(=O)C[N@H+](C)C1CCSC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675721	0	47	0.0	-63.57	365.18	10.88	-52.69
CN(C(=O)C[N@@H+](C)C1CCSC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675721	1	47	0.0	-63.88	365.25	10.89	-52.99
CC(C)[NH+]1CCN(CCC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006675736	0	57	0.0	-71.60	421.24	9.86	-61.74
CC(C)N1CC[NH+](CCC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006675736	1	57	0.0	-65.73	415.75	9.53	-56.20
CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006675737	0	60	0.0	-69.39	442.77	10.57	-58.82
CC(C)N1CC[NH+](CCCC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006675737	1	60	0.0	-69.54	437.55	10.37	-59.17
CN(C(=O)C1CCCC2CCC[N@@H+]21)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675738	0	50	0.0	-53.75	360.87	10.95	-42.80
CN(C(=O)C1CCCC2CCC[N@H+]21)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675738	1	50	0.0	-60.73	347.27	10.39	-50.34
CN(C(=O)C1=CN(CC[NH+](C)C)N=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675740	0	49	0.0	-78.91	385.53	9.80	-69.11
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675744	0	58	0.0	-70.13	436.69	11.96	-58.17
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675746	0	55	0.0	-68.29	410.87	11.90	-56.39
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675746	1	55	0.0	-57.57	409.03	11.47	-46.10
CC(C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006675751	1	53	0.0	-57.55	394.43	12.75	-44.80
CC(C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006675751	1	53	0.0	-59.31	396.47	12.79	-46.52
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675770	0	56	0.0	-75.40	430.89	13.83	-61.57
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675770	1	56	0.0	-72.63	429.21	13.90	-58.73
CN(C(=O)C1=NN(CC[NH+](C)C)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675783	0	49	0.0	-84.21	386.72	10.47	-73.74
CN(C(=O)C1=CC=NN1CC[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675784	0	49	0.0	-62.48	381.05	9.89	-52.59
C[C@@H]1[C@H](C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006675786	0	46	0.0	-67.98	339.28	9.55	-58.43
C[C@@H]1[C@H](C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300006675786	1	46	0.0	-66.99	344.97	9.70	-57.29
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675787	1	50	0.0	-61.83	391.87	11.90	-49.93
CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006675790	0	49	0.0	-67.32	358.28	10.17	-57.15
CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300006675790	1	49	0.0	-63.39	362.74	10.56	-52.83
CN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675793	1	50	0.0	-77.60	382.92	9.41	-68.19
CN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675793	1	50	0.0	-79.48	387.67	9.90	-69.58
CC1C[N@H+](C)CC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300006675800	1	47	0.0	-53.57	351.85	9.20	-44.37
CC1C[N@@H+](C)CC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300006675800	1	47	0.0	-78.99	351.10	9.59	-69.40
CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675804	0	56	0.0	-57.30	405.12	13.15	-44.15
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675804	1	56	0.0	-63.10	409.74	13.35	-49.75
CC1=[NH+]C=CN1CC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675808	1	41	0.0	-60.15	333.33	10.13	-50.02
CC(C[NH+]1CCOCC1)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675810	0	50	0.0	-53.75	363.90	8.73	-45.02
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675811	0	57	0.0	-70.24	434.92	11.42	-58.82
CC1CC[NH+](CC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006675823	0	49	0.0	-59.32	367.08	11.12	-48.20
CC[N@@H+]1CCOC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300006675836	1	47	0.0	-79.20	356.89	9.48	-69.72
CC[N@H+]1CCOC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300006675836	1	47	0.0	-57.19	348.95	9.26	-47.93
CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675868	0	56	0.0	-67.63	404.41	12.33	-55.30
CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675868	1	56	0.0	-63.48	408.15	12.35	-51.13
CN(C(=O)CCC1CCC[N@@H+]1C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675875	0	49	0.0	-67.02	365.84	10.59	-56.43
CN(C(=O)CCC1CCC[N@H+]1C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675875	1	49	0.0	-68.47	366.29	10.70	-57.77
CN(C(=O)C1CCC2CCCC[N@@H+]21)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675885	0	50	0.0	-57.01	363.61	10.98	-46.03
CN(C(=O)C1CCC2CCCC[N@H+]21)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675885	1	50	0.0	-56.79	365.86	11.20	-45.59
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675897	0	58	0.0	-68.12	439.11	11.11	-57.01
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675898	0	58	0.0	-76.74	441.36	11.27	-65.47
CN(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675898	1	58	0.0	-80.36	440.83	11.14	-69.22
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300006675900	0	59	0.0	-77.78	447.05	12.92	-64.86
CC(C)[NH+]1CCC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300006675908	0	52	0.0	-56.83	382.13	11.19	-45.64
CN(C(=O)C12CC[NH+](CC1)C2)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675975	0	44	0.0	-70.35	328.09	8.90	-61.45
CN(C(=O)C12CC[N@H+](C1)CCC2)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675984	0	47	0.0	-71.34	338.36	9.55	-61.79
CN(C(=O)C12CC[N@@H+](C1)CCC2)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675984	1	47	0.0	-68.19	337.05	9.50	-58.69
CC1CCC(C)[NH+]1CC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676026	0	49	0.0	-56.06	360.80	10.53	-45.53
CN(C(=O)C1=CC(C[NH+](C)C)=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676027	0	49	0.0	-73.54	378.65	11.66	-61.88
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676028	0	56	0.0	-62.26	415.94	13.67	-48.59
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676028	1	56	0.0	-62.80	403.05	13.18	-49.62
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CC[N@H+](CC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300006676097	0	46	0.0	-56.30	352.47	10.56	-45.74
CC[N@@H+](CC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300006676097	1	46	0.0	-58.04	352.00	10.68	-47.36
CC(C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006676124	0	52	0.0	-55.08	372.33	11.04	-44.04
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CN(C(=O)CCCC[NH+]1CCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676202	0	52	0.0	-70.91	395.22	11.88	-59.03
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CN(C(=O)C[N@H+](C)CC1=CC=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676205	1	49	0.0	-62.65	380.60	12.11	-50.54
CN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676205	1	49	0.0	-63.19	380.55	12.11	-51.08
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CC(C)[N@H+]1CCCC1C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676271	1	49	0.0	-56.26	353.48	10.82	-45.44
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676279	0	57	0.0	-80.76	447.49	13.15	-67.61
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CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676297	0	53	0.0	-76.93	408.59	12.36	-64.57
CCC[N@@H+]1CCCC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300006676451	0	52	0.0	-60.19	365.89	11.11	-49.08
CCC[N@H+]1CCCC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300006676451	1	52	0.0	-49.92	361.07	10.92	-39.00
CN(C(=O)C[NH+]1CCC(CO)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676478	0	50	0.0	-60.55	378.29	7.80	-52.75
CC(C)[N@@H+]1CCCC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300006676666	0	52	0.0	-65.78	379.84	11.10	-54.68
CC(C)[N@H+]1CCCC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300006676666	1	52	0.0	-56.38	373.69	11.37	-45.01
CN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676667	0	46	0.0	-82.39	353.19	10.61	-71.78
CN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676667	1	46	0.0	-58.03	359.86	10.00	-48.03
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CN(C(=O)C1=CC(CC[NH+](C)C)=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006677094	0	52	0.0	-75.10	403.38	12.63	-62.47
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006677102	0	53	0.0	-79.19	412.57	11.60	-67.59
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CN1N=CC(C(=O)[O-])=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300006682156	1	51	0.0	-68.91	402.51	8.43	-60.48
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CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300006682158	1	54	0.0	-79.07	404.92	11.52	-67.55
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O=C([O-])C1=CSC(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)=C1	REAL300006682161	0	48	0.0	-75.62	390.01	10.00	-65.62
O=C([O-])C1=CSC(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)=C1	REAL300006682161	1	48	0.0	-75.54	389.91	10.00	-65.54
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CC(C)[C@]1(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)C[C@H]1C(=O)[O-]	REAL300006682163	0	57	0.0	-55.04	422.06	11.28	-43.76
CC(C)[C@]1(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)C[C@H]1C(=O)[O-]	REAL300006682163	1	57	0.0	-73.32	422.48	11.12	-62.20
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300006682164	0	57	0.0	-84.86	436.01	12.09	-72.77
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300006682164	1	57	0.0	-85.96	437.69	12.18	-73.78
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O=C([O-])C1=CSC(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)=C1	REAL300006682165	1	51	0.0	-76.88	409.50	10.75	-66.13
O=C([O-])C1=CC=C(CC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)C=C1F	REAL300006682166	0	54	0.0	-84.34	424.67	11.70	-72.64
O=C([O-])C1=CC=C(CC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)C=C1F	REAL300006682166	1	54	0.0	-83.69	422.50	11.64	-72.05
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300006682167	0	54	0.0	-55.64	403.02	10.54	-45.10
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300006682167	1	54	0.0	-63.53	402.08	10.52	-53.01
O=C([O-])C12CCC(C(=O)NC3C[N@H+](CC4=CC=CC=C4)C4(CCC4)C3)(CC1)CC2	REAL300006682168	0	61	0.0	-74.99	439.99	11.90	-63.09
O=C([O-])C12CCC(C(=O)NC3C[N@@H+](CC4=CC=CC=C4)C4(CCC4)C3)(CC1)CC2	REAL300006682168	1	61	0.0	-74.92	440.19	11.92	-63.00
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CO)C2=CC=C(F)C(Cl)=C2)C1	REAL300006682250	0	44	0.0	-50.92	364.96	5.64	-45.28
O=C([O-])C1CCC[N@H+](CC(=O)NC(CO)C2=CC=C(F)C(Cl)=C2)C1	REAL300006682250	1	44	0.0	-51.71	366.16	5.66	-46.05
CC1=CC(CC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=CC(C)=N1	REAL300006682378	0	55	0.0	-53.44	425.45	11.24	-42.20
CC1=CC(CC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=CC(C)=N1	REAL300006682378	1	55	0.0	-53.94	431.80	11.21	-42.73
CN1C=C(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)C=N1	REAL300006682503	0	48	0.0	-54.50	381.61	7.80	-46.70
CN1C=C(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)C=N1	REAL300006682503	1	48	0.0	-54.98	382.15	7.85	-47.13
CC1(C)COCCC1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006682598	0	50	0.0	-49.11	353.31	6.19	-42.92
CC1(C)COCCC1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006682598	1	50	0.0	-46.07	351.42	5.75	-40.32
C=CCN(CC1=CC=C(C)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006682794	0	50	0.0	-43.73	382.25	11.24	-32.49
C=CCN(CC1=CC=C(C)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006682794	1	50	0.0	-45.54	382.59	11.70	-33.84
C=CCN(CC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006682896	0	47	0.0	-46.87	368.06	11.09	-35.78
C=CCN(CC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006682896	1	47	0.0	-46.45	363.73	10.51	-35.94
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC3(CCCC3)C2)C1	REAL300006683001	0	53	0.0	-46.22	364.68	10.42	-35.80
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC3(CCCC3)C2)C1	REAL300006683001	1	53	0.0	-45.12	364.18	10.49	-34.63
CC1=NN(CC(F)(F)F)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006683120	1	43	0.0	-53.31	346.02	6.59	-46.72
CC1=NN(CC(F)(F)F)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006683120	1	43	0.0	-53.56	346.85	7.04	-46.52
COC1=CC(CCC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1O	REAL300006683251	0	54	0.0	-53.81	419.08	7.09	-46.72
COC1=CC(CCC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1O	REAL300006683251	1	54	0.0	-52.95	413.58	7.12	-45.83
CN1CCCC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300006683378	0	49	0.0	-49.72	364.85	7.85	-41.87
CN1CCCC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300006683378	1	49	0.0	-50.25	359.14	7.86	-42.39
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300006684484	0	53	0.0	-75.13	393.69	10.69	-64.44
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3CCCC3)CN21	REAL300006685772	1	45	0.0	-61.99	345.61	8.31	-53.68
CC1=NC(C[NH+]2CCC(C(=O)NC(C(=O)[O-])C3CCCC3)CC2)=CS1	REAL300006685824	1	52	0.0	-74.17	401.12	8.45	-65.72
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300006685886	0	56	0.0	-79.66	432.28	10.35	-69.31
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300006685892	0	56	0.0	-78.89	427.45	12.54	-66.35
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300006685892	1	56	0.0	-77.95	427.36	12.55	-65.40
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2CCCC2)CCCCC1	REAL300006685960	0	52	0.0	-75.19	357.88	9.11	-66.08
C[N@H+](CCC(=O)NC(C(=O)[O-])C1CCCC1)C1CCCCC1	REAL300006685962	0	52	0.0	-65.76	376.63	9.18	-56.58
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1CCCC1)C1CCCCC1	REAL300006685962	1	52	0.0	-66.96	371.04	8.98	-57.98
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CCCC1	REAL300006686021	0	46	0.0	-82.91	361.86	8.04	-74.87
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1CCCC1	REAL300006686040	0	54	0.0	-77.10	384.35	7.69	-69.41
O=C(CCCC[NH+]1CCOCC1)NC(C(=O)[O-])C1CCCC1	REAL300006686064	1	50	0.0	-74.19	371.02	7.02	-67.17
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC2)C=C1)C(C)C	REAL300006686065	0	55	0.0	-80.62	399.34	10.52	-70.10
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC2)C=C1)C(C)C	REAL300006686065	1	55	0.0	-80.45	390.17	10.08	-70.37
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300006686082	0	50	0.0	-65.33	377.33	9.94	-55.39
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300006686082	1	50	0.0	-64.71	380.64	10.04	-54.67
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1CCCC1	REAL300006686083	0	51	0.0	-73.90	371.99	9.03	-64.87
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(C(=O)[O-])C1CCCC1	REAL300006686105	0	54	0.0	-66.18	372.48	7.39	-58.79
CC(C(=O)NC(C(=O)[O-])C1CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300006686108	0	49	0.0	-62.69	367.72	9.39	-53.30
CC(C(=O)NC(C(=O)[O-])C1CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300006686108	1	49	0.0	-61.70	367.56	9.44	-52.26
O=C([O-])C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CCCC1	REAL300006686116	0	56	0.0	-55.96	409.32	11.71	-44.25
O=C([O-])C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CCCC1	REAL300006686116	1	56	0.0	-61.59	410.10	11.67	-49.92
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC2)C=N1	REAL300006686133	0	45	0.0	-79.27	346.55	7.48	-71.79
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1CCCC1	REAL300006686140	0	54	0.0	-69.81	390.98	9.29	-60.52
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CCCC1	REAL300006686158	0	50	0.0	-83.70	375.61	10.05	-73.65
O=C([O-])C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CCCC1	REAL300006686163	0	53	0.0	-73.59	392.30	10.81	-62.78
CCN1CCC([NH+]2CCC(C(=O)NC(C(=O)[O-])C3CCCC3)CC2)CC1	REAL300006686169	0	61	0.0	-73.17	426.34	8.27	-64.90
CC1C[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CC(C)O1	REAL300006686176	1	57	0.0	-85.52	425.64	9.84	-75.68
O=C([O-])C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300006686185	1	54	0.0	-75.15	406.86	10.01	-65.14
O=C([O-])C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300006686185	1	54	0.0	-76.05	407.23	9.89	-66.16
CC1=C(C(=O)NC(C(=O)[O-])C2CCCC2)C=NN1C1=CC=[NH+]C=C1	REAL300006686199	1	44	0.0	-80.20	349.50	7.26	-72.94
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCC1	REAL300006686202	0	53	0.0	-83.81	392.04	10.71	-73.10
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1CCCC1	REAL300006686213	1	46	0.0	-75.57	359.14	7.64	-67.93
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300006686214	0	49	0.0	-86.99	373.24	9.80	-77.19
O=C([O-])C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300006686218	1	51	0.0	-67.57	389.85	9.57	-58.00
O=C([O-])C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300006686218	1	51	0.0	-77.54	389.79	9.57	-67.97
CC(C(=O)NC(C(=O)[O-])C1CCCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006686227	0	59	0.0	-55.67	430.98	11.91	-43.76
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1CCCC1	REAL300006686256	0	49	0.0	-61.26	371.74	9.90	-51.36
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1CCCC1	REAL300006686256	1	49	0.0	-62.70	376.96	10.00	-52.70
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1CCCC1	REAL300006686257	0	53	0.0	-66.46	407.99	6.21	-60.25
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1CCCC1	REAL300006686257	1	53	0.0	-68.65	406.39	6.22	-62.43
O=C([O-])C(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300006686264	0	58	0.0	-73.66	427.20	9.51	-64.15
C[N@H+](CC(=O)NC(C(=O)[O-])C1CCCC1)C1CCSC1	REAL300006686286	0	44	0.0	-61.23	332.10	7.68	-53.55
C[N@@H+](CC(=O)NC(C(=O)[O-])C1CCCC1)C1CCSC1	REAL300006686286	1	44	0.0	-61.69	331.94	7.69	-54.00
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300006686296	0	54	0.0	-69.46	388.11	6.60	-62.86
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300006686296	1	54	0.0	-64.46	384.25	6.43	-58.03
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300006686297	0	57	0.0	-69.80	415.06	7.58	-62.22
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300006686297	1	57	0.0	-69.07	405.75	7.23	-61.84
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2CCCC2)C=N1	REAL300006686299	0	46	0.0	-79.39	357.72	6.94	-72.45
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C(=O)[O-])C3CCCC3)CC2)=C1	REAL300006686302	0	58	0.0	-69.93	434.07	9.61	-60.32
O=C([O-])C(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300006686304	0	55	0.0	-70.01	412.66	8.94	-61.07
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CCCC1	REAL300006686307	0	52	0.0	-66.54	388.65	8.79	-57.75
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1CCCC1	REAL300006686307	1	52	0.0	-62.30	382.30	9.02	-53.28
CC(C(=O)NC(C(=O)[O-])C1CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006686312	1	50	0.0	-58.73	370.76	10.10	-48.63
CC(C(=O)NC(C(=O)[O-])C1CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006686312	1	50	0.0	-59.26	367.71	10.03	-49.23
O=C([O-])C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300006686331	0	53	0.0	-73.49	397.31	10.62	-62.87
O=C([O-])C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300006686331	1	53	0.0	-73.22	398.22	10.68	-62.54
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300006686342	0	46	0.0	-84.73	360.42	7.05	-77.68
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1CCCC1	REAL300006686343	0	46	0.0	-59.59	355.66	7.04	-52.55
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1CCCC1	REAL300006686344	1	47	0.0	-62.89	365.81	8.82	-54.07
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1CCCC1	REAL300006686355	0	53	0.0	-69.03	400.17	10.66	-58.37
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CCCC1	REAL300006686355	1	53	0.0	-67.47	405.27	10.80	-56.67
O=C([O-])C(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CCCC1	REAL300006686359	0	54	0.0	-68.12	403.31	8.18	-59.94
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300006686394	1	53	0.0	-80.72	390.15	8.83	-71.89
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CCCC1	REAL300006686395	0	53	0.0	-67.45	377.94	9.26	-58.19
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1CCCC1	REAL300006686395	1	53	0.0	-65.73	381.06	9.42	-56.31
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C(=O)[O-])C3CCCC3)=C2)CC1	REAL300006686420	0	55	0.0	-72.26	409.42	8.38	-63.88
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CC1	REAL300006686421	0	55	0.0	-80.15	414.59	8.48	-71.67
CN1CC[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CC1	REAL300006686421	1	55	0.0	-84.65	408.88	8.20	-76.45
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300006686422	0	56	0.0	-82.22	411.97	9.76	-72.46
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1CCCC1	REAL300006686499	0	57	0.0	-86.17	424.02	8.06	-78.11
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300006686503	0	46	0.0	-77.46	350.79	8.90	-68.56
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300006686504	0	53	0.0	-64.72	393.74	10.59	-54.13
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300006686504	1	53	0.0	-58.72	389.15	10.90	-47.82
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300006686545	0	51	0.0	-72.28	370.08	5.91	-66.37
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300006686545	1	51	0.0	-65.10	376.82	6.25	-58.85
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1CCCC1	REAL300006686551	1	47	0.0	-61.65	365.27	8.76	-52.89
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CCCC3)=CC=C1N2	REAL300006686598	1	51	0.0	-82.80	385.61	9.39	-73.41
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CCCC3)=CC=C1N2	REAL300006686598	1	51	0.0	-82.52	390.90	9.45	-73.07
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC2)O1	REAL300006686638	0	49	0.0	-73.21	375.93	8.75	-64.46
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3CCCC3)CC2)[NH+]=C1	REAL300006686639	1	52	0.0	-70.58	386.61	8.54	-62.04
C[N@H+](CC(=O)NC(C(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300006686640	1	46	0.0	-61.01	352.39	9.15	-51.86
C[N@@H+](CC(=O)NC(C(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300006686640	1	46	0.0	-62.82	349.29	9.00	-53.82
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CC1	REAL300006686643	0	58	0.0	-83.14	418.81	9.28	-73.86
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CCCC1	REAL300006686652	1	41	0.0	-78.21	331.89	6.91	-71.30
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCCC1	REAL300006686679	0	53	0.0	-67.68	397.22	10.54	-57.14
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCCC1	REAL300006686679	1	53	0.0	-68.95	396.60	10.48	-58.47
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300006686696	0	54	0.0	-84.01	422.34	10.06	-73.95
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CCCC1	REAL300006686710	0	50	0.0	-77.00	383.98	9.24	-67.76
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2CCCC2)C(C(F)(F)F)C1	REAL300006687004	0	43	0.0	-79.10	340.08	7.28	-71.82
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2CCCC2)C(C(F)(F)F)C1	REAL300006687004	1	43	0.0	-77.91	322.49	7.21	-70.70
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300006687344	0	49	0.0	-79.39	373.23	9.80	-69.59
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300006687349	0	50	0.0	-84.33	380.59	8.69	-75.64
O=C([O-])C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300006687421	0	56	0.0	-71.35	417.91	11.55	-59.80
CC1C[N@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CCO1	REAL300006687423	1	54	0.0	-84.37	403.33	9.21	-75.16
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CCO1	REAL300006687423	1	54	0.0	-85.18	398.15	9.13	-76.05
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3CCCC3)=CN21	REAL300006687447	0	41	0.0	-66.35	324.17	8.75	-57.60
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300006687484	0	52	0.0	-57.72	372.67	9.46	-48.26
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300006687484	1	52	0.0	-59.07	367.91	9.44	-49.63
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(CC(F)F)CC2)C1	REAL300006687554	0	45	0.0	-46.04	332.47	5.75	-40.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(CC(F)F)CC2)C1	REAL300006687554	1	45	0.0	-49.39	339.94	6.19	-43.20
COC1=CC=C([C@H]2C[C@@H](NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300006687663	0	51	0.0	-51.04	389.39	8.62	-42.42
COC1=CC=C([C@H]2C[C@@H](NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300006687663	1	51	0.0	-51.83	390.61	8.65	-43.18
CC1(C)CC2(CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C1	REAL300006687738	0	50	0.0	-47.35	364.13	8.68	-38.67
CC1(C)CC2(CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C1	REAL300006687738	1	50	0.0	-47.80	370.81	8.73	-39.07
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006687882	0	48	0.0	-59.97	383.33	7.07	-52.90
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006687882	1	48	0.0	-60.66	383.25	7.09	-53.57
COC1=CC=C(F)C=C1CC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006688001	0	51	0.0	-46.17	403.04	9.27	-36.90
COC1=CC=C(F)C=C1CC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006688001	1	51	0.0	-50.07	393.36	9.47	-40.60
CC(CC1=CC=C(F)C=C1F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006688203	0	46	0.0	-52.92	369.02	9.22	-43.70
CC(CC1=CC=C(F)C=C1F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006688203	1	46	0.0	-46.63	358.57	9.46	-37.17
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCC2COCCC2C1	REAL300006688301	0	51	0.0	-49.68	367.94	7.46	-42.22
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCC2COCCC2C1	REAL300006688301	1	51	0.0	-48.60	371.14	7.04	-41.56
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCC2(CCCC2)C1	REAL300006688369	0	50	0.0	-47.39	355.65	8.74	-38.65
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCC2(CCCC2)C1	REAL300006688369	1	50	0.0	-46.94	361.15	8.75	-38.19
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300006688466	0	42	0.0	-84.98	320.62	7.71	-77.27
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300006688466	1	42	0.0	-80.24	329.43	7.30	-72.94
C[N@@H+]1CC2CC1CC2NC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300006688467	0	50	0.0	-75.83	402.91	5.69	-70.14
C[N@H+]1CC2CC1CC2NC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300006688467	1	50	0.0	-88.00	390.12	5.95	-82.05
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1	REAL300006688468	0	49	0.0	-82.74	394.62	10.04	-72.70
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1	REAL300006688468	1	49	0.0	-89.31	392.43	10.59	-78.72
CC(SC1=CC=CC=C1C(=O)NC1CC2CC1C[N@@H+]2C)C(=O)[O-]	REAL300006688469	0	45	0.0	-86.30	342.27	9.20	-77.10
CC(SC1=CC=CC=C1C(=O)NC1CC2CC1C[N@H+]2C)C(=O)[O-]	REAL300006688469	1	45	0.0	-80.03	350.91	8.78	-71.25
CCOC1=CC(C(=O)NC2CC3CC2C[N@@H+]3C)=CC=C1OCC(=O)[O-]	REAL300006688470	0	49	0.0	-81.68	371.63	8.39	-73.29
CCOC1=CC(C(=O)NC2CC3CC2C[N@H+]3C)=CC=C1OCC(=O)[O-]	REAL300006688470	1	49	0.0	-81.66	371.61	8.39	-73.27
C[N@@H+]1CC2CC1CC2NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300006688471	0	44	0.0	-79.89	341.87	9.02	-70.87
C[N@H+]1CC2CC1CC2NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300006688471	1	44	0.0	-79.93	336.19	8.93	-71.00
C[N@@H+]1CC2CC1CC2NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300006688472	0	42	0.0	-80.27	330.31	8.73	-71.54
C[N@H+]1CC2CC1CC2NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300006688472	1	42	0.0	-78.07	332.96	8.23	-69.84
C[N@@H+]1CC2CC1CC2NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006688473	0	46	0.0	-79.05	374.52	3.92	-75.13
C[N@H+]1CC2CC1CC2NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006688473	1	46	0.0	-78.99	368.84	3.82	-75.17
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006688474	0	40	0.0	-63.52	323.88	7.49	-56.03
C[N@H+]1CC2CC1CC2NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006688474	1	40	0.0	-77.90	318.14	8.12	-69.78
CC1=NN(C2=CC=C(C(=O)NC3CC4CC3C[N@H+]4C)C=C2)C(C)=C1CCC(=O)[O-]	REAL300006688475	0	57	0.0	-79.75	437.24	11.24	-68.51
CC1=NN(C2=CC=C(C(=O)NC3CC4CC3C[N@@H+]4C)C=C2)C(C)=C1CCC(=O)[O-]	REAL300006688475	1	57	0.0	-77.98	437.35	10.53	-67.45
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006688476	0	40	0.0	-63.52	323.88	7.49	-56.03
C[N@H+]1CC2CC1CC2NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006688476	1	40	0.0	-77.90	318.14	8.12	-69.78
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CC3CC2C[N@H+]3C)C=C1	REAL300006688477	0	48	0.0	-83.06	370.79	9.10	-73.96
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CC3CC2C[N@@H+]3C)C=C1	REAL300006688477	1	48	0.0	-79.30	370.83	8.39	-70.91
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006688478	0	45	0.0	-73.89	353.73	8.55	-65.34
C[N@H+]1CC2CC1CC2NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006688478	1	45	0.0	-73.81	348.33	8.48	-65.33
C[N@@H+]1CC2CC1CC2NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300006688479	0	44	0.0	-70.95	335.45	8.25	-62.70
C[N@H+]1CC2CC1CC2NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300006688479	1	44	0.0	-71.06	333.20	8.05	-63.01
CC1=CC(C(=O)NC2CC3CC2C[N@H+]3C)=CC(C)=C1OCC(=O)[O-]	REAL300006688480	0	48	0.0	-76.62	373.53	8.86	-67.76
CC1=CC(C(=O)NC2CC3CC2C[N@@H+]3C)=CC(C)=C1OCC(=O)[O-]	REAL300006688480	1	48	0.0	-78.92	370.89	9.37	-69.55
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300006688481	0	38	0.0	-79.62	317.49	8.19	-71.43
C[N@H+]1CC2CC1CC2NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300006688481	1	38	0.0	-76.45	319.64	7.62	-68.83
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300006688482	0	48	0.0	-71.52	361.83	10.91	-60.61
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300006688482	1	48	0.0	-71.06	355.90	10.84	-60.22
C[N@@H+]1CC2CC1CC2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006688483	0	48	0.0	-76.38	341.67	7.94	-68.44
C[N@H+]1CC2CC1CC2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006688483	1	48	0.0	-76.92	339.01	7.73	-69.19
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300006688484	0	40	0.0	-78.36	320.20	6.32	-72.04
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300006688484	1	40	0.0	-72.84	318.01	6.86	-65.98
C[N@@H+]1CC2CC1CC2NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006688485	0	45	0.0	-80.70	350.49	7.71	-72.99
C[N@H+]1CC2CC1CC2NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006688485	1	45	0.0	-81.34	350.50	7.72	-73.62
C[N@@H+]1CC2CC1CC2NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006688486	0	51	0.0	-72.88	377.34	9.91	-62.97
C[N@H+]1CC2CC1CC2NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006688486	1	51	0.0	-73.95	374.63	10.43	-63.52
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300006688487	0	42	0.0	-76.26	326.76	7.83	-68.43
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300006688487	1	42	0.0	-76.11	321.13	7.73	-68.38
C[N@@H+]1CC2CC1CC2NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006688488	0	47	0.0	-81.65	366.71	7.61	-74.04
C[N@H+]1CC2CC1CC2NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006688488	1	47	0.0	-83.19	363.26	7.39	-75.80
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006688489	0	42	0.0	-77.77	327.83	8.84	-68.93
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006688489	1	42	0.0	-77.63	322.21	8.73	-68.90
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300006688490	0	44	0.0	-77.37	333.01	8.52	-68.85
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300006688490	1	44	0.0	-84.58	331.00	9.06	-75.52
C[N@@H+]1CC2CC1CC2NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006688491	0	41	0.0	-83.88	328.57	3.27	-80.61
C[N@H+]1CC2CC1CC2NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006688491	1	41	0.0	-83.55	322.89	3.18	-80.37
C[N@@H+]1CC2CC1CC2NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006688492	0	44	0.0	-97.66	345.48	7.07	-90.59
C[N@H+]1CC2CC1CC2NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006688492	1	44	0.0	-97.82	339.81	6.98	-90.84
C[N@@H+]1CC2CC1CC2NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006688493	0	46	0.0	-66.61	327.79	8.69	-57.92
C[N@H+]1CC2CC1CC2NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006688493	1	46	0.0	-64.39	311.20	8.52	-55.87
C[N@@H+]1CC2CC1CC2NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300006688494	0	45	0.0	-47.24	334.23	9.60	-37.64
C[N@H+]1CC2CC1CC2NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300006688494	1	45	0.0	-57.80	340.74	8.90	-48.90
C[N@@H+]1CC2CC1CC2NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006688495	0	45	0.0	-80.70	350.49	7.71	-72.99
C[N@H+]1CC2CC1CC2NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006688495	1	45	0.0	-81.34	350.50	7.72	-73.62
C[N@@H+]1CC2CC1CC2NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006688496	0	45	0.0	-92.25	356.33	9.15	-83.10
C[N@H+]1CC2CC1CC2NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006688496	1	45	0.0	-99.50	347.90	9.57	-89.93
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006688497	0	38	0.0	-75.13	308.63	8.06	-67.07
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006688497	1	38	0.0	-75.29	302.02	7.93	-67.36
COC1=CC(C(=O)[O-])=NC(C(=O)NC2CC3CC2C[N@@H+]3C)=C1	REAL300006688498	0	41	0.0	-63.61	323.33	4.40	-59.21
COC1=CC(C(=O)[O-])=NC(C(=O)NC2CC3CC2C[N@H+]3C)=C1	REAL300006688498	1	41	0.0	-63.03	326.29	4.60	-58.43
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006688499	0	44	0.0	-75.55	339.34	9.11	-66.44
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006688499	1	44	0.0	-75.37	333.71	9.02	-66.35
C[N@@H+]1CC2CC1CC2NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006688500	0	42	0.0	-74.63	329.94	8.04	-66.59
C[N@H+]1CC2CC1CC2NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006688500	1	42	0.0	-86.29	323.59	7.91	-78.38
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006688501	0	38	0.0	-76.12	325.45	7.40	-68.72
C[N@H+]1CC2CC1CC2NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006688501	1	38	0.0	-77.05	325.96	8.14	-68.91
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2CC3CC2C[N@@H+]3C)=C1	REAL300006688502	0	42	0.0	-79.98	327.84	7.14	-72.84
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2CC3CC2C[N@H+]3C)=C1	REAL300006688502	1	42	0.0	-77.33	333.34	6.51	-70.82
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1CC2CC1C[N@H+]2C	REAL300006688503	0	41	0.0	-67.33	313.74	7.73	-59.60
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1CC2CC1C[N@@H+]2C	REAL300006688503	1	41	0.0	-67.81	313.59	7.72	-60.09
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006688504	0	41	0.0	-82.46	333.50	8.29	-74.17
C[N@H+]1CC2CC1CC2NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006688504	1	41	0.0	-85.45	331.32	8.83	-76.62
C[N@@H+]1CC2CC1CC2NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006688505	0	43	0.0	-72.80	329.42	7.01	-65.79
C[N@H+]1CC2CC1CC2NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006688505	1	43	0.0	-69.52	323.09	6.90	-62.62
C[N@@H+]1CC2CC1CC2NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006688506	0	42	0.0	-80.24	330.30	8.73	-71.51
C[N@H+]1CC2CC1CC2NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006688506	1	42	0.0	-80.43	324.08	8.62	-71.81
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006688507	0	39	0.0	-67.18	323.50	6.03	-61.15
C[N@H+]1CC2CC1CC2NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006688507	1	39	0.0	-62.65	321.32	6.58	-56.07
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006688508	0	39	0.0	-77.04	321.51	6.71	-70.33
C[N@H+]1CC2CC1CC2NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006688508	1	39	0.0	-77.13	314.89	6.58	-70.55
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006688509	0	39	0.0	-68.48	314.86	5.17	-63.31
C[N@H+]1CC2CC1CC2NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006688509	1	39	0.0	-64.89	312.67	5.71	-59.18
C[N@@H+]1CC2CC1CC2NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006688510	0	41	0.0	-81.11	326.08	6.95	-74.16
C[N@H+]1CC2CC1CC2NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006688510	1	41	0.0	-80.20	326.12	6.23	-73.97
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006688511	0	44	0.0	-81.71	331.93	8.88	-72.83
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006688511	1	44	0.0	-83.37	325.69	9.51	-73.86
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1CC2CC1C[N@H+]2C	REAL300006688512	0	44	0.0	-84.97	339.71	8.19	-76.78
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1CC2CC1C[N@@H+]2C	REAL300006688512	1	44	0.0	-90.97	331.43	8.61	-82.36
C[N@@H+]1CC2CC1CC2NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006688513	0	41	0.0	-91.88	324.97	8.24	-83.64
C[N@H+]1CC2CC1CC2NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006688513	1	41	0.0	-91.65	319.33	8.13	-83.52
C[N@@H+]1CC2CC1CC2NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300006688514	0	45	0.0	-69.88	347.15	8.56	-61.32
C[N@H+]1CC2CC1CC2NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300006688514	1	45	0.0	-70.60	344.78	8.35	-62.25
C[N@@H+]1CC2CC1CC2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006688515	0	48	0.0	-76.38	341.67	7.94	-68.44
C[N@H+]1CC2CC1CC2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006688515	1	48	0.0	-76.92	339.01	7.73	-69.19
CO[C@H](C)[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006689522	0	50	0.0	-75.34	387.49	8.36	-66.98
CO[C@H](C)[C@H](NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300006690764	1	49	0.0	-74.83	394.51	6.05	-68.78
CO[C@H](C)[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006690808	0	53	0.0	-78.57	420.01	7.89	-70.68
CO[C@H](C)[C@H](NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006690813	0	53	0.0	-80.16	420.80	10.22	-69.94
CO[C@H](C)[C@H](NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006690813	1	53	0.0	-79.36	420.75	10.23	-69.13
CO[C@H](C)[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300006690874	0	49	0.0	-78.31	345.93	7.35	-70.96
CO[C@H](C)[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300006690876	0	49	0.0	-66.27	364.84	6.69	-59.58
CO[C@H](C)[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300006690876	1	49	0.0	-67.05	364.84	6.71	-60.34
CO[C@H](C)[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300006690928	0	43	0.0	-79.81	355.66	5.76	-74.05
CO[C@H](C)[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300006690947	0	51	0.0	-76.17	377.66	5.41	-70.76
CO[C@H](C)[C@H](NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300006690968	1	47	0.0	-75.05	364.70	4.70	-70.35
CC[N@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1)C(C)C	REAL300006690969	0	52	0.0	-77.49	389.07	8.07	-69.42
CC[N@@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1)C(C)C	REAL300006690969	1	52	0.0	-78.46	383.93	7.80	-70.66
CO[C@H](C)[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006690984	0	47	0.0	-67.25	370.94	7.66	-59.59
CO[C@H](C)[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006690984	1	47	0.0	-66.74	371.42	7.63	-59.11
CO[C@H](C)[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300006690985	0	48	0.0	-73.58	366.21	6.76	-66.82
CO[C@H](C)[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300006691006	0	51	0.0	-69.22	363.82	5.01	-64.21
CO[C@H](C)[C@H](NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006691009	0	46	0.0	-61.93	360.94	7.12	-54.81
CO[C@H](C)[C@H](NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006691009	1	46	0.0	-62.65	361.30	7.13	-55.52
CO[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006691016	0	53	0.0	-62.54	403.82	9.39	-53.15
CO[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006691016	1	53	0.0	-68.97	409.60	9.20	-59.77
CCC[NH+](CCC)CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300006691036	0	51	0.0	-70.17	384.51	7.04	-63.13
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300006691051	0	47	0.0	-81.48	369.25	7.82	-73.66
CO[C@H](C)[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300006691056	0	50	0.0	-75.17	385.65	8.48	-66.69
CCN1CCC([NH+]2CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC2)CC1	REAL300006691062	0	58	0.0	-70.15	419.71	5.96	-64.19
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300006691068	1	54	0.0	-83.83	418.96	7.52	-76.31
CO[C@H](C)[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006691078	1	51	0.0	-77.44	393.49	7.62	-69.82
CO[C@H](C)[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006691078	1	51	0.0	-76.06	400.76	7.64	-68.42
CO[C@H](C)[C@H](NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006691092	1	41	0.0	-80.56	342.19	5.01	-75.55
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300006691095	0	50	0.0	-82.16	386.13	8.48	-73.68
CO[C@H](C)[C@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300006691105	1	43	0.0	-77.82	349.84	5.22	-72.60
CO[C@H](C)[C@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006691106	0	46	0.0	-84.96	366.58	7.48	-77.48
CO[C@H](C)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006691109	1	48	0.0	-73.87	373.40	6.98	-66.89
CO[C@H](C)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006691109	1	48	0.0	-77.84	380.56	7.14	-70.70
CO[C@H](C)[C@H](NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006691117	0	56	0.0	-55.78	424.14	9.61	-46.17
CO[C@H](C)[C@H](NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006691142	0	46	0.0	-61.56	365.06	7.58	-53.98
CO[C@H](C)[C@H](NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006691142	1	46	0.0	-62.66	365.56	7.56	-55.10
COCCOCC[N@H+](C)CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300006691143	0	50	0.0	-66.41	394.06	3.76	-62.65
COCCOCC[N@@H+](C)CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300006691143	1	50	0.0	-67.02	394.61	3.74	-63.28
CO[C@H](C)[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006691149	0	55	0.0	-73.18	420.24	7.28	-65.90
CO[C@H](C)[C@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300006691176	0	51	0.0	-72.76	376.18	3.93	-68.83
CO[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300006691176	1	51	0.0	-65.34	377.61	4.11	-61.23
CO[C@H](C)[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300006691177	0	54	0.0	-71.98	403.28	5.09	-66.89
CO[C@H](C)[C@H](NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300006691177	1	54	0.0	-69.04	399.11	4.91	-64.13
CO[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300006691181	0	55	0.0	-69.95	420.63	7.11	-62.84
CO[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006691183	0	52	0.0	-68.69	398.74	6.48	-62.21
CO[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006691186	0	49	0.0	-67.27	375.75	6.77	-60.50
CO[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006691186	1	49	0.0	-68.07	376.20	6.75	-61.32
CO[C@H](C)[C@H](NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300006691190	1	47	0.0	-59.49	360.98	7.69	-51.80
CO[C@H](C)[C@H](NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300006691190	1	47	0.0	-57.68	361.88	7.63	-50.05
CO[C@H](C)[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006691207	0	50	0.0	-73.19	391.33	8.41	-64.78
CO[C@H](C)[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006691207	1	50	0.0	-74.17	391.25	8.35	-65.82
CO[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006691224	0	50	0.0	-68.86	393.51	8.40	-60.46
CO[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006691224	1	50	0.0	-61.18	385.75	8.55	-52.63
CO[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300006691226	0	51	0.0	-68.12	396.49	5.89	-62.23
CO[C@H](C)[C@H](NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300006691250	1	50	0.0	-79.26	383.51	6.58	-72.68
CO[C@H](C)[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006691251	0	50	0.0	-62.02	371.77	7.10	-54.92
CO[C@H](C)[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006691251	1	50	0.0	-66.63	371.24	6.99	-59.64
CO[C@H](C)[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300006691269	0	52	0.0	-76.86	403.26	6.04	-70.82
CO[C@H](C)[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300006691270	0	52	0.0	-79.15	401.84	5.87	-73.28
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300006691270	1	52	0.0	-82.87	402.66	5.92	-76.95
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300006691271	0	53	0.0	-80.93	409.44	7.80	-73.13
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300006691326	0	54	0.0	-84.28	417.82	5.78	-78.50
CO[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006691328	0	50	0.0	-62.15	381.17	8.57	-53.58
CO[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006691328	1	50	0.0	-64.17	387.04	8.33	-55.84
CC[NH+]1CCN(CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300006691365	0	48	0.0	-71.36	364.05	3.76	-67.60
CCN1CC[NH+](CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300006691365	1	48	0.0	-66.22	365.04	3.78	-62.44
CO[C@H](C)[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006691409	1	48	0.0	-83.13	379.37	7.06	-76.07
CO[C@H](C)[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006691409	1	48	0.0	-83.03	379.44	7.09	-75.94
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)O1	REAL300006691448	0	46	0.0	-75.65	362.26	6.03	-69.62
CO[C@H](C)[C@H](NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300006691449	1	49	0.0	-70.38	379.97	6.22	-64.16
CO[C@H](C)[C@H](NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300006691452	0	55	0.0	-83.47	412.11	7.01	-76.46
CO[C@H](C)[C@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006691459	1	38	0.0	-78.73	325.59	4.62	-74.11
CO[C@H](C)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006691483	0	50	0.0	-75.94	390.06	8.09	-67.85
CO[C@H](C)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006691483	1	50	0.0	-69.81	391.24	8.17	-61.64
CO[C@H](C)[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006691498	0	51	0.0	-82.96	408.92	7.58	-75.38
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300006691511	0	47	0.0	-76.12	372.09	6.82	-69.30
CO[C@H](C)[C@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006691765	0	40	0.0	-72.54	312.97	4.99	-67.55
CO[C@H](C)[C@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006691765	1	40	0.0	-81.08	314.17	4.87	-76.21
CO[C@H](C)[C@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300006692058	0	46	0.0	-78.53	367.08	7.45	-71.08
CO[C@H](C)[C@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006692061	0	47	0.0	-82.43	374.37	6.40	-76.03
CO[C@H](C)[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006692122	0	53	0.0	-72.32	406.18	9.06	-63.26
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006692124	1	51	0.0	-84.05	391.93	6.79	-77.26
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006692124	1	51	0.0	-83.55	391.50	6.80	-76.75
CO[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300006692172	0	49	0.0	-60.28	358.15	7.03	-53.25
CO[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300006692172	1	49	0.0	-56.38	359.41	7.00	-49.38
COC1COC2=CC=CC=C2C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006692246	0	49	0.0	-49.65	373.13	6.21	-43.44
COC1COC2=CC=CC=C2C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006692246	1	49	0.0	-50.11	374.32	6.23	-43.88
O=C([O-])CCC1=CC=C2CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CCC2=C1	REAL300006693603	0	57	0.0	-74.99	436.54	13.97	-61.02
O=C([O-])CCC1=CC=C2CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CCC2=C1	REAL300006693603	1	57	0.0	-72.98	431.27	13.55	-59.43
O=C([O-])CCC1=CC=C2CN(C(=O)C3CC[NH+](C4CC4)CC3)CCC2=C1	REAL300006694350	0	54	0.0	-78.29	400.06	12.01	-66.28
O=C([O-])CCC1=CC=C2CN(C(=O)C3CCC[N@@H+]3C3CC3)CCC2=C1	REAL300006694375	0	51	0.0	-70.96	386.31	11.39	-59.57
O=C([O-])CCC1=CC=C2CN(C(=O)C3CCC[N@H+]3C3CC3)CCC2=C1	REAL300006694375	1	51	0.0	-69.40	384.41	11.63	-57.77
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=CC(CCC(=O)[O-])=CC=C4C3)CN12	REAL300006694381	1	52	0.0	-69.47	398.47	11.85	-57.62
C[N@@H+]1CCCCC1C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1	REAL300006694455	0	50	0.0	-69.97	375.53	11.00	-58.97
C[N@H+]1CCCCC1C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1	REAL300006694455	1	50	0.0	-72.51	374.73	10.94	-61.57
CC(C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1)N1CC[NH+](C)CC1	REAL300006694456	1	55	0.0	-74.80	404.69	9.07	-65.73
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1	REAL300006694493	0	50	0.0	-69.14	375.51	11.00	-58.14
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1	REAL300006694493	1	50	0.0	-71.45	364.05	10.51	-60.94
C[NH+]1CCC(C(=O)N2CCC3=CC(CCC(=O)[O-])=CC=C3C2)CC1	REAL300006694570	0	50	0.0	-81.01	375.20	10.82	-70.19
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CCC2=C1	REAL300006694600	0	45	0.0	-78.96	369.93	12.79	-66.17
C[NH+](C)CC1(C(=O)N2CCC3=CC(CCC(=O)[O-])=CC=C3C2)CCCCC1	REAL300006694631	0	59	0.0	-82.40	408.94	12.87	-69.53
C[N@H+](CCC(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1)C1CCCCC1	REAL300006694636	0	59	0.0	-77.26	433.58	13.11	-64.15
C[N@@H+](CCC(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1)C1CCCCC1	REAL300006694636	1	59	0.0	-77.72	433.58	13.09	-64.63
C[N@@H+]1CCCC1C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1	REAL300006694652	0	47	0.0	-72.01	358.15	10.29	-61.72
C[N@H+]1CCCC1C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1	REAL300006694652	1	47	0.0	-70.89	353.46	9.96	-60.93
C[NH+]1CCC(C(=O)N2CCC3=CC(CCC(=O)[O-])=CC=C3C2)CC1	REAL300006694703	0	50	0.0	-81.01	375.20	10.82	-70.19
O=C([O-])CCC1=CC=C2CN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CCC2=C1	REAL300006694722	0	60	0.0	-69.56	429.68	13.12	-56.44
O=C([O-])CCC1=CC=C2CN(C(=O)C3CCCC[N@H+]3C3CCCC3)CCC2=C1	REAL300006694722	1	60	0.0	-71.58	426.40	13.07	-58.51
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1	REAL300006694756	1	51	0.0	-72.83	406.10	12.37	-60.46
O=C([O-])CCC1=CC=C2CN(C(=O)CCCC[NH+]3CCOCC3)CCC2=C1	REAL300006694757	1	57	0.0	-78.68	433.40	11.06	-67.62
C[C@@H](C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1)[NH+](C)C	REAL300006694763	0	46	0.0	-72.62	350.78	9.79	-62.83
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1	REAL300006694764	0	47	0.0	-74.42	353.51	9.99	-64.43
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1	REAL300006694764	1	47	0.0	-72.59	357.55	10.31	-62.28
C[C@H](C(=O)N1CCC2=CC(CCC(=O)[O-])=CC=C2C1)[NH+](C)C	REAL300006694768	0	46	0.0	-74.27	350.35	9.75	-64.52
C[NH+](C)C1(C(=O)N2CCC3=CC(CCC(=O)[O-])=CC=C3C2)CC1	REAL300006694776	0	47	0.0	-73.59	357.75	9.95	-63.64
O=C([O-])CCC1=CC=C2CN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CCC2=C1	REAL300006694817	0	57	0.0	-78.21	434.89	13.68	-64.53
O=C([O-])CCC1=CC=C2CN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CCC2=C1	REAL300006694817	1	57	0.0	-78.74	436.48	13.80	-64.94
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CC(C(=O)NCC1=CC=CC=C1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006701437	1	50	0.0	-64.80	390.35	10.84	-53.96
CC(C(=O)NCC1=CC=CC=C1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006701437	1	50	0.0	-64.18	387.05	11.02	-53.16
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CC(C[NH+]1CCOCC1)C(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006701512	0	47	0.0	-69.01	363.32	7.19	-61.82
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CC1CC[NH+](CC(=O)NCC2=CC=CC=C2CC(=O)[O-])CC1	REAL300006701522	0	46	0.0	-64.34	354.97	8.95	-55.39
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C[N@@H+]1CCCC1CCC(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006701584	0	46	0.0	-72.97	359.40	8.96	-64.01
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CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006701609	0	50	0.0	-61.41	372.82	7.54	-53.87
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CC(C)[N@H+]1CCC(C(=O)NCC2=CC=CC=C2CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006701614	1	59	0.0	-74.64	434.77	9.70	-64.94
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CN1CC[NH+](CC2=CC=C(C(=O)NCC3=CC=CC=C3CC(=O)[O-])C=C2)CC1	REAL300006701621	1	55	0.0	-81.63	428.25	9.26	-72.37
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300006701622	0	56	0.0	-79.37	431.34	10.80	-68.57
CC(C)[NH+]1CCC(C(=O)NCC2=CC=CC=C2CC(=O)[O-])CC1	REAL300006701630	0	49	0.0	-69.44	367.27	9.08	-60.36
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CC1CCC(C)[NH+]1CC(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006701769	0	46	0.0	-60.87	349.15	8.49	-52.38
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CCC[N@@H+]1CCCCC1C(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006701841	0	49	0.0	-60.77	363.86	9.29	-51.48
CCC[N@H+]1CCCCC1C(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006701841	1	49	0.0	-58.95	373.29	9.45	-49.50
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CC[NH+]1CCN(CCC(=O)NCC2=CC=CC=C2CC(=O)[O-])CC1	REAL300006701844	0	51	0.0	-72.28	390.12	7.09	-65.19
CCN1CC[NH+](CCC(=O)NCC2=CC=CC=C2CC(=O)[O-])CC1	REAL300006701844	1	51	0.0	-68.94	390.62	7.12	-61.82
CC(C)C(C(=O)NCC1=CC=CC=C1CC(=O)[O-])[NH+]1CCCCC1	REAL300006701846	0	52	0.0	-64.01	380.65	10.22	-53.79
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CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006701857	1	47	0.0	-63.20	377.42	9.61	-53.59
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CCC1=[NH+]C=CN1CC(C)NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300006703720	1	40	0.0	-83.21	339.48	4.99	-78.22
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1	REAL300006703721	0	43	0.0	-57.80	354.35	7.19	-50.61
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1	REAL300006703721	1	43	0.0	-57.80	354.35	7.19	-50.61
CCC1=NC=CN1CC(C)NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300006703722	0	41	0.0	-72.66	358.94	8.93	-63.73
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300006703722	1	41	0.0	-72.66	358.94	8.93	-63.73
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006703723	0	41	0.0	-68.31	342.01	8.47	-59.84
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006703723	1	41	0.0	-68.31	342.01	8.47	-59.84
CCC1=NC=CN1CC(C)NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300006703724	0	44	0.0	-74.34	363.03	9.21	-65.13
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300006703724	1	44	0.0	-74.34	363.03	9.21	-65.13
CCC1=NC=CN1CC(C)NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300006703725	0	51	0.0	-69.59	408.22	11.64	-57.95
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300006703725	1	51	0.0	-69.59	408.22	11.64	-57.95
CCC1=NC=CN1CC(C)NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300006703726	0	41	0.0	-69.12	340.20	7.24	-61.88
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300006703726	1	41	0.0	-69.12	340.20	7.24	-61.88
CCC1=NC=CN1CC(C)NC(=O)C1=C(CC(=O)[O-])OC=C1C	REAL300006703727	0	44	0.0	-54.29	370.46	8.00	-46.29
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(CC(=O)[O-])OC=C1C	REAL300006703727	1	44	0.0	-54.29	370.46	8.00	-46.29
CCC1=NC=CN1CC(C)NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300006703728	0	40	0.0	-65.84	339.54	6.75	-59.09
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300006703728	1	40	0.0	-65.84	339.54	6.75	-59.09
CCC1=NC=CN1CC(C)NC(=O)CC1CCC(C(=O)[O-])CC1	REAL300006703729	0	50	0.0	-76.15	382.50	9.26	-66.89
CCC1=[NH+]C=CN1CC(C)NC(=O)CC1CCC(C(=O)[O-])CC1	REAL300006703729	1	50	0.0	-76.15	382.50	9.26	-66.89
CCC1=NC=CN1CC(C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300006703730	0	48	0.0	-78.84	371.63	8.71	-70.13
CCC1=[NH+]C=CN1CC(C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300006703730	1	48	0.0	-78.84	371.63	8.71	-70.13
CCC1=NC=CN1CC(C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006703731	0	51	0.0	-71.91	381.23	9.21	-62.70
CCC1=[NH+]C=CN1CC(C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006703731	1	51	0.0	-71.91	381.23	9.21	-62.70
CCC1=NC=CN1CC(C)NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300006703732	0	43	0.0	-66.75	362.58	7.72	-59.03
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300006703732	1	43	0.0	-66.75	362.58	7.72	-59.03
CCC1=NC=CN1CC(C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006703733	0	48	0.0	-79.22	389.81	9.03	-70.19
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006703733	1	48	0.0	-79.22	389.81	9.03	-70.19
CCC1=NC=CN1CC(C)NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006703734	0	54	0.0	-64.11	416.69	11.23	-52.88
CCC1=[NH+]C=CN1CC(C)NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006703734	1	54	0.0	-64.11	416.69	11.23	-52.88
CCC1=NC=CN1CC(C)NC(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300006703735	0	41	0.0	-60.48	340.89	7.46	-53.02
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300006703735	1	41	0.0	-60.48	340.89	7.46	-53.02
CCC1=NC=CN1CC(C)NC(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300006703736	0	41	0.0	-53.58	346.30	7.45	-46.13
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300006703736	1	41	0.0	-53.58	346.30	7.45	-46.13
CCC1=NC=CN1CC(C)NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006703737	0	41	0.0	-78.21	348.01	6.61	-71.60
CCC1=[NH+]C=CN1CC(C)NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006703737	1	41	0.0	-78.21	348.01	6.61	-71.60
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300006703738	0	42	0.0	-58.20	361.53	8.06	-50.14
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300006703738	1	42	0.0	-58.20	361.53	8.06	-50.14
CCC1=NC=CN1CC(C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300006703739	0	48	0.0	-51.81	367.80	8.76	-43.05
CCC1=[NH+]C=CN1CC(C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300006703739	1	48	0.0	-51.81	367.80	8.76	-43.05
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300006703740	0	45	0.0	-69.99	368.70	8.62	-61.37
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300006703740	1	45	0.0	-69.99	368.70	8.62	-61.37
CCC1=NC=CN1CC(C)NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006703741	0	50	0.0	-83.70	411.28	9.04	-74.66
CCC1=[NH+]C=CN1CC(C)NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300006703741	1	50	0.0	-83.70	411.28	9.04	-74.66
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006703742	0	40	0.0	-57.22	339.42	6.75	-50.47
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006703742	1	40	0.0	-57.22	339.42	6.75	-50.47
CCC1=NC=CN1CC(C)NC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300006703743	0	41	0.0	-80.75	335.01	6.08	-74.67
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300006703743	1	41	0.0	-80.75	335.01	6.08	-74.67
CCC1=NC=CN1CC(C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300006703744	0	45	0.0	-77.48	357.00	7.70	-69.78
CCC1=[NH+]C=CN1CC(C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300006703744	1	45	0.0	-77.48	357.00	7.70	-69.78
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006703745	0	44	0.0	-64.85	359.88	9.10	-55.75
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006703745	1	44	0.0	-64.85	359.88	9.10	-55.75
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006703746	0	45	0.0	-71.64	369.77	9.62	-62.02
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006703746	1	45	0.0	-71.64	369.77	9.62	-62.02
CCC1=NC=CN1CC(C)NC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006703747	0	42	0.0	-69.43	360.97	7.93	-61.50
CCC1=[NH+]C=CN1CC(C)NC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006703747	1	42	0.0	-69.43	360.97	7.93	-61.50
CCC1=NC=CN1CC(C)NC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300006703748	0	47	0.0	-76.41	372.74	9.87	-66.54
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300006703748	1	47	0.0	-76.41	372.74	9.87	-66.54
CCC1=NC=CN1CC(C)NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006703749	0	44	0.0	-79.90	374.17	4.19	-75.71
CCC1=[NH+]C=CN1CC(C)NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006703749	1	44	0.0	-79.90	374.17	4.19	-75.71
CCC1=NC=CN1CC(C)NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006703750	0	42	0.0	-64.04	361.80	8.26	-55.78
CCC1=[NH+]C=CN1CC(C)NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006703750	1	42	0.0	-64.04	361.80	8.26	-55.78
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300006703751	0	44	0.0	-81.67	357.80	8.96	-72.71
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300006703751	1	44	0.0	-81.67	357.80	8.96	-72.71
CCC1=NC=CN1CC(C)NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006703752	0	40	0.0	-72.01	332.82	6.52	-65.49
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006703752	1	40	0.0	-72.01	332.82	6.52	-65.49
CCC1=NC=CN1CC(C)NC(=O)C1=CC(C(=O)[O-])=CN=C1C	REAL300006703753	0	43	0.0	-53.24	353.18	7.41	-45.83
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC(C(=O)[O-])=CN=C1C	REAL300006703753	1	43	0.0	-53.24	353.18	7.41	-45.83
CCC1=NC=CN1CC(C)NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006703754	0	41	0.0	-86.95	347.36	6.63	-80.32
CCC1=[NH+]C=CN1CC(C)NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006703754	1	41	0.0	-86.95	347.36	6.63	-80.32
CCC1=NC=CN1CC(C)NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006703755	0	47	0.0	-91.22	387.44	7.86	-83.36
CCC1=[NH+]C=CN1CC(C)NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006703755	1	47	0.0	-91.22	387.44	7.86	-83.36
CCC1=NC=CN1CC(C)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300006703756	0	48	0.0	-78.07	378.46	8.14	-69.93
CCC1=[NH+]C=CN1CC(C)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300006703756	1	48	0.0	-78.07	378.46	8.14	-69.93
CCC1=NC=CN1CC(C)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006703757	0	48	0.0	-70.79	380.32	7.14	-63.65
CCC1=[NH+]C=CN1CC(C)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006703757	1	48	0.0	-70.79	380.32	7.14	-63.65
CCC1=NC=CN1CC(C)NC(=O)C1=C(C)C=C(C(=O)[O-])O1	REAL300006703758	0	41	0.0	-53.76	345.82	7.53	-46.23
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(C)C=C(C(=O)[O-])O1	REAL300006703758	1	41	0.0	-53.76	345.82	7.53	-46.23
CCC1=NC=CN1CC(C)NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006703759	0	49	0.0	-49.18	358.89	9.57	-39.61
CCC1=[NH+]C=CN1CC(C)NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006703759	1	49	0.0	-49.18	358.89	9.57	-39.61
CCC1=NC=CN1CC(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300006703760	0	47	0.0	-65.16	351.13	9.07	-56.09
CCC1=[NH+]C=CN1CC(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300006703760	1	47	0.0	-65.16	351.13	9.07	-56.09
CCC1=NC=CN1CC(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006703761	0	49	0.0	-52.28	374.48	8.24	-44.04
CCC1=NC=CN1CC(C)NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300006703762	0	48	0.0	-59.37	390.39	10.23	-49.14
CCC1=[NH+]C=CN1CC(C)NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300006703762	1	48	0.0	-59.37	390.39	10.23	-49.14
CCC1=NC=CN1CC(C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006703763	0	48	0.0	-79.22	389.81	9.03	-70.19
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006703763	1	48	0.0	-79.22	389.81	9.03	-70.19
CCC1=NC=CN1CC(C)NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006703764	0	48	0.0	-87.56	399.94	10.60	-76.96
CCC1=[NH+]C=CN1CC(C)NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006703764	1	48	0.0	-87.56	399.94	10.60	-76.96
CCC1=NC=CN1CC(C)NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006703765	0	45	0.0	-67.61	361.44	8.73	-58.88
CCC1=[NH+]C=CN1CC(C)NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006703765	1	45	0.0	-67.61	361.44	8.73	-58.88
CCC1=NC=CN1CC(C)NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	REAL300006703766	0	47	0.0	-73.01	370.91	9.37	-63.64
CCC1=[NH+]C=CN1CC(C)NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	REAL300006703766	1	47	0.0	-73.01	370.91	9.37	-63.64
CCC1=NC=CN1CC(C)NC(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300006703767	0	44	0.0	-55.04	353.80	9.01	-46.03
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300006703767	1	44	0.0	-55.04	353.80	9.01	-46.03
CCC1=NC=CN1CC(C)NC(=O)C1=C(C(=O)[O-])SC=C1	REAL300006703768	0	38	0.0	-65.20	330.73	8.31	-56.89
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(C(=O)[O-])SC=C1	REAL300006703768	1	38	0.0	-65.20	330.73	8.31	-56.89
CCC1=NC=CN1CC(C)NC(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300006703769	0	43	0.0	-70.10	343.42	7.10	-63.00
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300006703769	1	43	0.0	-70.10	343.42	7.10	-63.00
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300006703770	0	44	0.0	-69.73	353.78	9.01	-60.72
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300006703770	1	44	0.0	-69.73	353.78	9.01	-60.72
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006703771	0	41	0.0	-68.02	353.25	8.95	-59.07
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006703771	1	41	0.0	-68.02	353.25	8.95	-59.07
CCC1=NC=CN1CC(C)NC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300006703772	0	48	0.0	-72.67	378.66	9.19	-63.48
CCC1=[NH+]C=CN1CC(C)NC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300006703772	1	48	0.0	-72.67	378.66	9.19	-63.48
CCC1=NC=CN1CC(C)NC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1	REAL300006703773	0	44	0.0	-49.28	369.86	6.06	-43.22
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1	REAL300006703773	1	44	0.0	-49.28	369.86	6.06	-43.22
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300006703774	0	42	0.0	-69.47	340.23	7.52	-61.95
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300006703774	1	42	0.0	-69.47	340.23	7.52	-61.95
CCC1=NC=CN1CC(C)NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006703775	0	47	0.0	-69.06	381.28	9.90	-59.16
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006703775	1	47	0.0	-69.06	381.28	9.90	-59.16
CCC1=NC=CN1CC(C)NC(=O)C1=C(C(=O)[O-])C(C)=NN1	REAL300006703776	0	41	0.0	-71.56	336.35	6.21	-65.35
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(C(=O)[O-])C(C)=NN1	REAL300006703776	1	41	0.0	-71.56	336.35	6.21	-65.35
CCC1=NC=CN1CC(C)NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006703777	0	45	0.0	-70.65	371.77	8.82	-61.83
CCC1=[NH+]C=CN1CC(C)NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006703777	1	45	0.0	-70.65	371.77	8.82	-61.83
CCC1=NC=CN1CC(C)NC(=O)C1=CSC(C(=O)[O-])=N1	REAL300006703778	0	37	0.0	-49.36	331.67	5.61	-43.75
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CSC(C(=O)[O-])=N1	REAL300006703778	1	37	0.0	-49.36	331.67	5.61	-43.75
CCC1=NC=CN1CC(C)NC(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300006703779	0	41	0.0	-55.07	350.70	8.30	-46.77
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300006703779	1	41	0.0	-55.07	350.70	8.30	-46.77
CCC1=NC=CN1CC(C)NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006703780	0	41	0.0	-70.59	371.83	9.07	-61.52
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006703780	1	41	0.0	-70.59	371.83	9.07	-61.52
CCC1=NC=CN1CC(C)NC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl	REAL300006703781	0	45	0.0	-72.87	375.47	8.02	-64.85
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl	REAL300006703781	1	45	0.0	-72.87	375.47	8.02	-64.85
CCC1=NC=CN1CC(C)NC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C	REAL300006703782	0	44	0.0	-57.90	365.43	8.72	-49.18
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C	REAL300006703782	1	44	0.0	-57.90	365.43	8.72	-49.18
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CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006703783	1	44	0.0	-78.08	377.19	9.76	-68.32
CCC1=NC=CN1CC(C)NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006703784	0	46	0.0	-63.75	374.91	7.91	-55.84
CCC1=[NH+]C=CN1CC(C)NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006703784	1	46	0.0	-63.75	374.91	7.91	-55.84
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CCC1=[NH+]C=CN1CC(C)NC(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300006703785	1	43	0.0	-62.35	347.46	5.90	-56.45
CCC1=NC=CN1CC(C)NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006703786	0	45	0.0	-73.33	376.30	9.66	-63.67
CCC1=[NH+]C=CN1CC(C)NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006703786	1	45	0.0	-73.33	376.30	9.66	-63.67
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CCC1=NC=CN1CC(C)NC(=O)C1=C(C(=O)[O-])C=NN1C	REAL300006703788	0	41	0.0	-78.24	328.80	6.92	-71.32
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C(C(=O)[O-])C=NN1C	REAL300006703788	1	41	0.0	-78.24	328.80	6.92	-71.32
CCC1=NC=CN1CC(C)NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006703789	0	42	0.0	-56.22	367.22	7.49	-48.73
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006703789	1	42	0.0	-56.22	367.22	7.49	-48.73
CCC1=NC=CN1CC(C)NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006703790	0	42	0.0	-70.25	367.41	7.62	-62.63
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CCC1=NC=CN1CC(C)NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006703791	0	42	0.0	-58.31	358.58	6.63	-51.68
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CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300006703792	1	44	0.0	-75.96	350.73	8.99	-66.97
CCC1=NC=CN1CC(C)NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006703793	0	44	0.0	-74.25	372.19	7.89	-66.36
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CCC1=NC=CN1CC(C)NC(=O)C1=CC(C(=O)[O-])=CS1	REAL300006703794	0	38	0.0	-74.51	330.88	7.34	-67.17
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC(C(=O)[O-])=CS1	REAL300006703794	1	38	0.0	-74.51	330.88	7.34	-67.17
CCC1=NC=CN1CC(C)NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300006703795	0	46	0.0	-62.25	354.77	6.82	-55.43
CCC1=[NH+]C=CN1CC(C)NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300006703795	1	46	0.0	-62.25	354.77	6.82	-55.43
CCC1=NC=CN1CC(C)NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006703796	0	47	0.0	-76.72	376.60	10.52	-66.20
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CCC1=NC=CN1CC(C)NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-]	REAL300006703797	0	47	0.0	-40.83	366.06	8.25	-32.58
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CCC1=NC=CN1CC(C)NC(=O)CC1=CC=C(C(=O)[O-])C=C1C	REAL300006703798	0	47	0.0	-82.67	383.26	9.61	-73.06
CCC1=[NH+]C=CN1CC(C)NC(=O)CC1=CC=C(C(=O)[O-])C=C1C	REAL300006703798	1	47	0.0	-82.67	383.26	9.61	-73.06
CCC1=NC=CN1CC(C)NC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300006703799	0	41	0.0	-79.30	358.11	8.28	-71.02
CCC1=[NH+]C=CN1CC(C)NC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300006703799	1	41	0.0	-79.30	358.11	8.28	-71.02
CCC1=NC=CN1CC(C)NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006703800	0	44	0.0	-84.30	366.87	9.04	-75.26
CCC1=[NH+]C=CN1CC(C)NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006703800	1	44	0.0	-84.30	366.87	9.04	-75.26
CCC1=NC=CN1CC(C)NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300006703801	0	48	0.0	-60.11	391.12	10.02	-50.09
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300006703801	1	48	0.0	-60.11	391.12	10.02	-50.09
CCC1=NC=CN1CC(C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006703802	0	51	0.0	-71.91	381.23	9.21	-62.70
CCC1=[NH+]C=CN1CC(C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300006703802	1	51	0.0	-71.91	381.23	9.21	-62.70
O=C([O-])C1CCC[N@@H+](CC(=O)N2C3CCCC2CC(O)C3)C1	REAL300006703885	0	48	0.0	-49.09	341.90	5.81	-43.28
O=C([O-])C1CCC[N@H+](CC(=O)N2C3CCCC2CC(O)C3)C1	REAL300006703885	1	48	0.0	-49.09	341.90	5.81	-43.28
O=C([O-])C1CCC[N@H+](CC(=O)NCCN2CCN3N=CC=C3C2)C1	REAL300006703993	0	49	0.0	-55.55	367.46	4.38	-51.17
CC(C)(C)OC1CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006704200	0	53	0.0	-47.26	394.86	7.57	-39.69
CC(C)(C)OC1CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006704200	1	53	0.0	-48.00	395.45	7.58	-40.42
CC1=CC=CC(N2CCCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300006704357	0	55	0.0	-49.56	408.19	8.67	-40.89
CC1=CC=CC(N2CCCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300006704357	1	55	0.0	-46.64	401.38	8.20	-38.44
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3SCCCC3=C2)C1	REAL300006704485	0	45	0.0	-52.69	347.29	9.54	-43.15
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3SCCCC3=C2)C1	REAL300006704485	1	45	0.0	-51.90	352.75	9.51	-42.39
CC1(C)CCC(C)(C)C2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300006704611	0	59	0.0	-48.67	419.62	11.48	-37.19
CC1(C)CCC(C)(C)C2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300006704611	1	59	0.0	-49.20	414.44	11.49	-37.71
CC1=CC=CC=C1CN1C=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006704737	1	50	0.0	-51.73	387.93	10.50	-41.23
CC1=CC=CC=C1CN1C=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006704737	1	50	0.0	-52.63	388.70	10.58	-42.05
CC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704790	0	53	0.0	-78.27	390.40	12.05	-66.22
CC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704790	1	53	0.0	-70.51	384.55	12.63	-57.88
CC1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704791	0	57	0.0	-85.70	422.53	12.35	-73.35
CC1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704791	1	57	0.0	-75.03	415.63	12.92	-62.11
CC1CN(C(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704792	0	53	0.0	-77.01	385.09	12.63	-64.38
CC1CN(C(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704792	1	53	0.0	-87.41	388.32	12.53	-74.88
CC1CN(C(=O)C2=CC=C(C(=O)[O-])S2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704793	0	50	0.0	-69.32	389.01	11.88	-57.44
CC1CN(C(=O)C2=CC=C(C(=O)[O-])S2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704793	1	50	0.0	-69.29	388.93	11.88	-57.41
CC1CN(C(=O)C2=CC=CC(C(=O)[O-])=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704794	0	52	0.0	-60.52	392.94	11.79	-48.73
CC1CN(C(=O)C2=CC=CC(C(=O)[O-])=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704794	1	52	0.0	-60.54	392.98	11.80	-48.74
CC1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704795	0	59	0.0	-80.44	440.95	14.27	-66.17
CC1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704795	1	59	0.0	-77.03	433.38	14.57	-62.46
CC1CN(C(=O)C2=CC=NC(C(=O)[O-])=C2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704796	0	52	0.0	-90.83	387.61	10.33	-80.50
CC1CN(C(=O)C2=CC=NC(C(=O)[O-])=C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704796	1	52	0.0	-87.53	380.18	10.92	-76.61
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704797	0	57	0.0	-77.31	431.34	14.25	-63.06
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704797	1	57	0.0	-80.25	426.94	14.19	-66.06
CC1CN(C(=O)C2=CC=C(C(=O)[O-])O2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704798	0	50	0.0	-65.13	374.86	11.19	-53.94
CC1CN(C(=O)C2=CC=C(C(=O)[O-])O2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704798	1	50	0.0	-59.64	371.03	11.36	-48.28
CC1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704799	0	59	0.0	-57.90	424.79	14.27	-43.63
CC1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704799	1	59	0.0	-58.37	424.62	14.30	-44.07
CC1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704800	0	56	0.0	-87.89	419.56	13.45	-74.44
CC1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704800	1	56	0.0	-76.88	412.00	13.74	-63.14
CC1CN(C(=O)C2CCCC(C(=O)[O-])C2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704801	0	59	0.0	-80.70	402.46	12.75	-67.95
CC1CN(C(=O)C2CCCC(C(=O)[O-])C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704801	1	59	0.0	-87.08	409.67	12.23	-74.85
CC1CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704802	0	52	0.0	-77.94	386.25	10.18	-67.76
CC1CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704802	1	52	0.0	-71.26	380.69	10.77	-60.49
CC1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704803	0	52	0.0	-63.44	391.81	11.83	-51.61
CC1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704803	1	52	0.0	-64.19	392.28	11.82	-52.37
CC1CN(C(=O)CC(C)(C)CC(=O)[O-])C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704804	0	58	0.0	-74.90	410.12	12.59	-62.31
CC1CN(C(=O)CC(C)(C)CC(=O)[O-])C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300006704804	1	58	0.0	-70.80	396.98	12.50	-58.30
CC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300006704805	0	53	0.0	-72.63	399.05	12.67	-59.96
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CC(C)C1CN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706155	1	52	0.0	-66.75	381.43	9.83	-56.92
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CC(C)C1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706156	1	57	0.0	-78.95	429.96	13.58	-65.37
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CC(C)C1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706158	0	59	0.0	-71.38	425.61	13.40	-57.98
CC(C)C1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706158	1	59	0.0	-67.15	425.22	13.41	-53.74
CC(C)C1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706159	0	56	0.0	-87.35	412.83	12.85	-74.50
CC(C)C1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706159	1	56	0.0	-85.07	412.84	12.85	-72.22
CC(C)C1CN(C(=O)C2(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706160	0	50	0.0	-59.48	360.09	10.20	-49.28
CC(C)C1CN(C(=O)C2(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706160	1	50	0.0	-59.27	370.20	10.60	-48.67
CC(C)C1CN(C(=O)C2(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706161	0	50	0.0	-59.48	360.09	10.20	-49.28
CC(C)C1CN(C(=O)C2(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706161	1	50	0.0	-59.27	370.20	10.60	-48.67
CC(C)C1CN(C(=O)C2CCCC(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706162	0	59	0.0	-84.01	411.55	12.02	-71.99
CC(C)C1CN(C(=O)C2CCCC(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706162	1	59	0.0	-82.73	412.87	12.24	-70.49
CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706163	0	52	0.0	-78.84	384.76	9.94	-68.90
CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706163	1	52	0.0	-72.54	390.48	10.14	-62.40
CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706164	0	52	0.0	-60.63	389.83	11.10	-49.53
CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706164	1	52	0.0	-61.18	391.34	11.10	-50.08
CC(C)C1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706165	0	58	0.0	-72.91	405.72	11.87	-61.04
CC(C)C1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706165	1	58	0.0	-72.94	405.70	11.83	-61.11
CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706166	0	53	0.0	-74.99	398.95	12.05	-62.94
CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC[N@H+]1CC1=CC=CC=C1	REAL300006706166	1	53	0.0	-70.39	402.83	12.12	-58.27
CC(C)C1CN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706167	0	51	0.0	-64.04	385.42	9.26	-54.78
CC(C)C1CN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706167	1	51	0.0	-67.73	377.41	9.02	-58.71
CC(C)C1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706168	0	59	0.0	-75.98	412.69	12.15	-63.83
CC(C)C1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706168	1	59	0.0	-72.88	419.54	12.36	-60.52
CC(C)C1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706169	0	59	0.0	-80.72	401.20	11.80	-68.92
CC(C)C1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706169	1	59	0.0	-79.61	411.24	12.18	-67.43
CC(C)C1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706170	0	56	0.0	-89.59	411.89	12.76	-76.83
CC(C)C1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706170	1	56	0.0	-89.68	412.82	12.86	-76.82
CC(C)C1CN(C(=O)CN2C=C(C(=O)[O-])N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706171	0	52	0.0	-90.92	389.97	8.79	-82.13
CC(C)C1CN(C(=O)CN2C=C(C(=O)[O-])N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706171	1	52	0.0	-91.11	389.98	8.76	-82.35
CC1=NC(C(=O)N2CC[N@H+](CC3=CC=CC=C3)C(C(C)C)C2)=CC=C1C(=O)[O-]	REAL300006706172	0	55	0.0	-65.09	397.66	11.37	-53.72
CC1=NC(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)C(C(C)C)C2)=CC=C1C(=O)[O-]	REAL300006706172	1	55	0.0	-64.11	398.63	11.38	-52.73
CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706173	0	53	0.0	-75.92	385.05	11.69	-64.23
CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706173	1	53	0.0	-75.38	386.92	11.78	-63.60
CC(C)C1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706174	0	56	0.0	-83.20	394.64	11.61	-71.59
CC(C)C1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706174	1	56	0.0	-83.57	393.05	11.55	-72.02
CC(C)C1CN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706175	0	56	0.0	-68.28	408.12	12.39	-55.89
CC(C)C1CN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706175	1	56	0.0	-59.08	409.43	12.54	-46.54
CC(C)C1CN(C(=O)C2=C(CC(=O)[O-])OC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706176	0	53	0.0	-76.15	387.67	10.83	-65.32
CC(C)C1CN(C(=O)C2=C(CC(=O)[O-])OC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706176	1	53	0.0	-75.52	385.79	10.76	-64.76
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300006706177	0	56	0.0	-76.08	416.00	11.53	-64.55
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300006706177	1	56	0.0	-77.61	417.91	11.63	-65.98
CC(C)C1CN(C(=O)C2=CC(C(=O)[O-])=CC=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706178	0	52	0.0	-73.61	383.38	10.88	-62.73
CC(C)C1CN(C(=O)C2=CC(C(=O)[O-])=CC=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706178	1	52	0.0	-70.38	391.19	11.18	-59.20
CC(C)C1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706179	0	54	0.0	-71.25	394.62	11.74	-59.51
CC(C)C1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC[N@H+]1CC1=CC=CC=C1	REAL300006706179	1	54	0.0	-74.30	386.21	11.48	-62.82
CC(C)C1CN(C(=O)C2(C(=O)[O-])CCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706180	0	53	0.0	-52.35	369.39	10.60	-41.75
CC(C)C1CN(C(=O)C2(C(=O)[O-])CCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706180	1	53	0.0	-53.12	369.01	10.71	-42.41
CC(C)C1CN(C(=O)C(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706181	0	52	0.0	-46.86	368.29	10.14	-36.72
CC(C)C1CN(C(=O)C(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706181	1	52	0.0	-53.51	362.97	10.00	-43.51
CC(C)C1CN(C(=O)CC2CCC(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706182	0	62	0.0	-68.23	423.70	12.75	-55.48
CC(C)C1CN(C(=O)CC2CCC(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706182	1	62	0.0	-83.47	432.95	13.12	-70.35
CC(C)C1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706183	0	60	0.0	-84.27	422.62	12.49	-71.78
CC(C)C1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC[N@H+]1CC1=CC=CC=C1	REAL300006706183	1	60	0.0	-86.52	413.63	12.18	-74.34
CC(C)C1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706184	0	63	0.0	-79.30	421.93	12.36	-66.94
CC(C)C1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC[N@H+]1CC1=CC=CC=C1	REAL300006706184	1	63	0.0	-79.14	422.87	12.42	-66.72
CC(C)C1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706185	0	58	0.0	-72.91	405.72	11.87	-61.04
CC(C)C1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706185	1	58	0.0	-72.94	405.70	11.83	-61.11
CC(C)C1CN(C(=O)CCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706186	0	52	0.0	-75.97	383.31	11.01	-64.96
CC(C)C1CN(C(=O)CCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706186	1	52	0.0	-75.97	383.35	11.01	-64.96
CC(C)C1CN(C(=O)CC(C)CC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706187	0	55	0.0	-77.37	387.56	11.23	-66.14
CC(C)C1CN(C(=O)CC(C)CC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706187	1	55	0.0	-77.10	387.58	11.21	-65.89
CC(C)C1CN(C(=O)C2=NOC(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706188	0	49	0.0	-64.39	365.33	9.87	-54.52
CC(C)C1CN(C(=O)C2=NOC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706188	1	49	0.0	-64.35	364.74	9.93	-54.42
CC(C)C1CN(C(=O)C2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706189	0	56	0.0	-54.94	387.93	11.33	-43.61
CC(C)C1CN(C(=O)C2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706189	1	56	0.0	-57.42	391.51	11.37	-46.05
CC1=C(C(=O)N2CC[N@H+](CC3=CC=CC=C3)C(C(C)C)C2)C=C(C(=O)[O-])O1	REAL300006706190	0	53	0.0	-68.30	386.42	11.36	-56.94
CC1=C(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)C(C(C)C)C2)C=C(C(=O)[O-])O1	REAL300006706190	1	53	0.0	-65.93	399.83	11.28	-54.65
CC1=C(C(=O)[O-])OC(C(=O)N2CC[N@H+](CC3=CC=CC=C3)C(C(C)C)C2)=C1	REAL300006706191	0	53	0.0	-58.48	398.55	11.37	-47.11
CC1=C(C(=O)[O-])OC(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)C(C(C)C)C2)=C1	REAL300006706191	1	53	0.0	-61.33	388.95	11.07	-50.26
CC(C)C1CN(C(=O)CN2C=C(C(=O)[O-])C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706192	0	53	0.0	-84.07	403.24	10.50	-73.57
CC(C)C1CN(C(=O)CN2C=C(C(=O)[O-])C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706192	1	53	0.0	-86.65	394.89	10.27	-76.38
CC(C)C1CN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706193	0	54	0.0	-66.23	404.80	11.66	-54.57
CC(C)C1CN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706193	1	54	0.0	-66.48	404.17	11.76	-54.72
CC(C)C1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706194	0	60	0.0	-50.51	426.00	12.69	-37.82
CC(C)C1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706194	1	60	0.0	-62.30	419.27	12.46	-49.84
CC(C)C1CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706195	0	57	0.0	-75.91	416.05	11.96	-63.95
CC(C)C1CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706195	1	57	0.0	-75.43	417.93	12.06	-63.37
CC(C)C1CN(C(=O)CCSCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706196	0	53	0.0	-70.99	406.34	11.60	-59.39
CC(C)C1CN(C(=O)CCSCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706196	1	53	0.0	-71.03	406.38	11.60	-59.43
CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706197	0	52	0.0	-60.63	389.83	11.10	-49.53
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CC(C)C1CN(C(=O)COCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706198	0	50	0.0	-80.95	367.08	10.02	-70.93
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CC(C)C1CN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706202	1	56	0.0	-74.54	409.07	12.55	-61.99
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CC(C)C1CN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706203	1	57	0.0	-80.25	419.03	13.05	-67.20
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CC(C)C1CN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706204	1	54	0.0	-77.31	405.76	11.57	-65.74
CC(C)C1CN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706205	0	59	0.0	-78.75	422.70	13.14	-65.61
CC(C)C1CN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706205	1	59	0.0	-77.46	423.84	13.15	-64.31
CC(C)C1CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706206	0	54	0.0	-70.48	406.94	11.84	-58.64
CC(C)C1CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706206	1	54	0.0	-67.64	416.02	12.16	-55.48
CC(C)C1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706207	0	56	0.0	-83.20	394.64	11.61	-71.59
CC(C)C1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706207	1	56	0.0	-83.57	393.05	11.55	-72.02
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CC(C)C1CN(C(=O)CN2C=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706211	1	53	0.0	-98.77	394.25	10.29	-88.48
CC(C)C1CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706212	0	59	0.0	-96.61	437.86	11.72	-84.89
CC(C)C1CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706212	1	59	0.0	-97.84	437.85	11.72	-86.12
CC(C)C1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706213	0	53	0.0	-59.30	382.41	11.16	-48.14
CC(C)C1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706213	1	53	0.0	-73.72	382.13	11.99	-61.73
CC(C)C1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706214	0	60	0.0	-86.96	429.95	11.97	-74.99
CC(C)C1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706214	1	60	0.0	-86.11	428.37	11.87	-74.24
CC(C)C1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706215	0	60	0.0	-75.03	430.30	10.99	-64.04
CC(C)C1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706215	1	60	0.0	-76.09	430.07	10.95	-65.14
CC(C)C1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706216	0	53	0.0	-59.30	382.41	11.16	-48.14
CC(C)C1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706216	1	53	0.0	-73.72	382.13	11.99	-61.73
CC(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706217	0	50	0.0	-71.33	369.45	10.83	-60.50
CC(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706217	1	50	0.0	-81.04	358.07	11.46	-69.58
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CC(C)C1CN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706219	0	61	0.0	-50.71	422.62	13.39	-37.32
CC(C)C1CN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706219	1	61	0.0	-59.93	415.24	12.97	-46.96
CCC(C(=O)[O-])C(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300006706220	0	52	0.0	-55.44	367.81	10.32	-45.12
CCC(C(=O)[O-])C(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300006706220	1	52	0.0	-46.17	376.78	10.64	-35.53
CC(C)C(C(=O)[O-])C(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300006706221	0	55	0.0	-52.67	378.52	10.87	-41.80
CC(C)C(C(=O)[O-])C(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300006706221	1	55	0.0	-54.25	393.18	11.20	-43.05
CC(C)C1CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706222	0	59	0.0	-66.54	408.31	12.81	-53.73
CC(C)C1CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706222	1	59	0.0	-64.00	408.60	12.83	-51.17
CC(C)C1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCN1CC1=CC=CC=C1	REAL300006706223	1	61	0.0	-46.68	436.44	10.75	-35.93
CC(C)C1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCN1CC1=CC=CC=C1	REAL300006706223	1	61	0.0	-43.41	429.53	10.33	-33.08
CC(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300006706224	0	50	0.0	-71.04	363.78	10.65	-60.39
CC(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300006706224	1	50	0.0	-69.32	372.40	10.90	-58.42
CC(C)C1CN(C(=O)C2CC3(CC3C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706225	0	57	0.0	-74.76	410.54	12.52	-62.24
CC(C)C1CN(C(=O)C2CC3(CC3C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706225	1	57	0.0	-75.75	416.58	12.67	-63.08
CC(C)C1CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706226	0	53	0.0	-73.79	386.47	11.30	-62.49
CC(C)C1CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706226	1	53	0.0	-78.07	387.91	11.34	-66.73
CC(C)C1CN(C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706227	0	59	0.0	-83.48	415.85	13.13	-70.35
CC(C)C1CN(C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)CC[N@H+]1CC1=CC=CC=C1	REAL300006706227	1	59	0.0	-82.63	422.63	13.38	-69.25
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300006706228	0	56	0.0	-65.05	416.16	12.69	-52.36
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300006706228	1	56	0.0	-64.95	414.30	12.68	-52.27
CC(C)C1CN(C(=O)C2CC(C)(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706229	0	56	0.0	-65.47	396.10	11.48	-53.99
CC(C)C1CN(C(=O)C2CC(C)(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706229	1	56	0.0	-79.56	398.42	11.56	-68.00
CC(C)C1CN(C(=O)C2=C(C(=O)[O-])SC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706230	0	50	0.0	-73.54	373.02	11.49	-62.05
CC(C)C1CN(C(=O)C2=C(C(=O)[O-])SC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706230	1	50	0.0	-74.49	376.37	11.69	-62.80
CC(C)C1CN(C(=O)C2=CC(C(=O)[O-])=NN2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706231	0	50	0.0	-82.38	369.33	8.62	-73.76
CC(C)C1CN(C(=O)C2=CC(C(=O)[O-])=NN2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706231	1	50	0.0	-81.86	367.70	8.60	-73.26
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CC(C)C1CN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706235	0	60	0.0	-75.74	436.08	13.20	-62.54
CC(C)C1CN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706235	1	60	0.0	-75.86	436.80	13.23	-62.63
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CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706237	0	54	0.0	-77.32	388.48	11.02	-66.30
CC(C)C1CN(C(=O)C2=CC=C(C(=O)[O-])N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300006706237	1	54	0.0	-76.17	387.06	11.02	-65.15
CC(C)C1CN(C(=O)C2(C(=O)[O-])CC=CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706238	0	54	0.0	-49.04	386.56	11.33	-37.71
CC(C)C1CN(C(=O)C2(C(=O)[O-])CC=CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706238	1	54	0.0	-58.01	376.28	11.08	-46.93
CC(C)C1CN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300006706239	0	59	0.0	-75.64	428.64	13.25	-62.39
CC(C)C1CN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300006706239	1	59	0.0	-75.36	430.47	13.36	-62.00
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C[N@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006706378	1	46	0.0	-83.88	346.56	7.83	-76.05
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C[N@@H+]1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC12CCOC2	REAL300006706384	1	48	0.0	-74.93	348.81	7.80	-67.13
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C[N@@H+]1CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006706386	1	45	0.0	-88.05	336.49	7.06	-80.99
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C[N@@H+]1CCN(C(=O)CCSCC(=O)[O-])CC12CCOC2	REAL300006706417	1	42	0.0	-74.40	324.67	5.97	-68.43
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C[N@@H+]1CCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC12CCOC2	REAL300006706423	1	43	0.0	-80.33	329.39	5.97	-74.36
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CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300006707028	1	50	0.0	-52.44	377.26	9.98	-42.46
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(CC1CCCC1)CC1CCCC1	REAL300006707149	0	62	0.0	-47.50	444.08	12.01	-35.49
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(CC1CCCC1)CC1CCCC1	REAL300006707149	1	62	0.0	-47.02	430.32	12.48	-34.54
CC1(C2=CC=C(Cl)C=C2)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006707493	0	50	0.0	-49.11	389.96	11.10	-38.01
CC1(C2=CC=C(Cl)C=C2)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006707493	1	50	0.0	-45.70	380.76	10.53	-35.17
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1(C2CC2)CCCO1	REAL300006707586	0	48	0.0	-44.64	348.77	6.84	-37.80
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1(C2CC2)CCCO1	REAL300006707586	1	48	0.0	-49.65	344.51	7.01	-42.64
CCOC1=CC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300006707696	0	50	0.0	-53.25	387.64	9.78	-43.47
CCOC1=CC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300006707696	1	50	0.0	-52.62	382.20	9.80	-42.82
CC12CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)(C1)C(C)(C)O2	REAL300006707783	0	48	0.0	-48.86	347.36	5.93	-42.93
CC12CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)(C1)C(C)(C)O2	REAL300006707783	1	48	0.0	-50.71	353.52	5.91	-44.80
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC2=CN=CC=C21	REAL300006707888	0	48	0.0	-53.50	372.36	9.00	-44.50
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC2=CN=CC=C21	REAL300006707888	1	48	0.0	-54.44	366.79	9.04	-45.40
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCCCCCCC2)C1	REAL300006708005	0	55	0.0	-46.68	377.12	9.69	-36.99
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCCCCCCC2)C1	REAL300006708005	1	55	0.0	-46.72	377.08	9.69	-37.03
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2C3CC4CC(C3)CC2C4)C1	REAL300006708154	0	57	0.0	-48.15	392.93	9.85	-38.30
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2C3CC4CC(C3)CC2C4)C1	REAL300006708154	1	57	0.0	-47.61	386.73	9.83	-37.78
CC1[C@@H](C)[C@@]1(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006709239	0	50	0.0	-82.53	380.52	10.91	-71.62
CC1=NC(C[NH+]2CCC(C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CC2)=CS1	REAL300006710469	1	49	0.0	-80.91	387.53	8.61	-72.30
CC1[C@@H](C)[C@@]1(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006710514	0	53	0.0	-84.52	409.66	9.84	-74.68
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006710519	0	53	0.0	-83.06	414.27	12.79	-70.27
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006710519	1	53	0.0	-80.42	405.39	12.30	-68.12
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300006710630	0	43	0.0	-86.64	340.79	7.90	-78.74
CC1[C@@H](C)[C@@]1(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300006710648	0	51	0.0	-84.78	371.16	7.95	-76.83
CC[N@H+](CC1=CC=C(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1)C(C)C	REAL300006710666	0	52	0.0	-83.88	374.43	10.18	-73.70
CC[N@@H+](CC1=CC=C(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1)C(C)C	REAL300006710666	1	52	0.0	-86.84	369.22	10.08	-76.76
CC1[C@@H](C)[C@@]1(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006710681	0	47	0.0	-67.98	354.17	9.62	-58.36
CC1[C@@H](C)[C@@]1(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006710681	1	47	0.0	-68.37	361.34	9.97	-58.40
CC1[C@@H](C)[C@@]1(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300006710682	0	48	0.0	-81.63	359.23	9.28	-72.35
CC1[C@@H](C)[C@@]1(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300006710703	0	51	0.0	-72.45	356.19	7.29	-65.16
CC(C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[N@H+](C)CC1=CC=CC=C1	REAL300006710706	0	46	0.0	-67.41	354.36	9.67	-57.74
CC(C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[N@@H+](C)CC1=CC=CC=C1	REAL300006710706	1	46	0.0	-65.73	350.46	9.49	-56.24
CC1[C@@H](C)[C@@]1(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006710712	0	53	0.0	-58.40	396.85	11.84	-46.56
CC1[C@@H](C)[C@@]1(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006710712	1	53	0.0	-54.90	387.98	11.36	-43.54
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300006710747	0	47	0.0	-87.31	352.96	9.82	-77.49
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300006710751	0	50	0.0	-78.54	379.15	11.05	-67.49
CCN1CCC([NH+]2CCC(C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CC2)CC1	REAL300006710757	0	58	0.0	-76.17	409.22	8.27	-67.90
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300006710763	1	54	0.0	-89.34	397.35	9.65	-79.69
CC1[C@@H](C)[C@@]1(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006710773	1	51	0.0	-83.35	383.13	9.68	-73.67
CC1[C@@H](C)[C@@]1(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006710773	1	51	0.0	-78.49	374.58	8.93	-69.56
CC1=C(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=NN1C1=CC=[NH+]C=C1	REAL300006710787	1	41	0.0	-83.16	331.33	7.35	-75.81
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300006710790	0	50	0.0	-87.46	370.33	10.58	-76.88
CC1[C@@H](C)[C@@]1(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300006710800	1	43	0.0	-81.66	343.75	7.90	-73.76
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006710801	0	46	0.0	-91.13	351.22	9.57	-81.56
CC1[C@@H](C)[C@@]1(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006710804	1	48	0.0	-75.21	357.57	8.60	-66.61
CC1[C@@H](C)[C@@]1(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006710804	1	48	0.0	-80.73	373.60	9.29	-71.44
CC(C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006710812	0	56	0.0	-62.83	413.40	11.08	-51.75
CC1[C@@H](C)[C@@]1(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006710838	0	46	0.0	-65.18	354.70	9.46	-55.72
CC1[C@@H](C)[C@@]1(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006710838	1	46	0.0	-65.34	358.57	10.03	-55.31
COCCOCC[N@H+](C)CCC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300006710839	0	50	0.0	-69.44	382.07	5.57	-63.87
COCCOCC[N@@H+](C)CCC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300006710839	1	50	0.0	-71.15	383.78	5.72	-65.43
CC1[C@@H](C)[C@@]1(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006710845	0	55	0.0	-77.20	409.89	9.24	-67.96
CC(C)[NH+]1CCN(CCC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300006710869	0	51	0.0	-74.15	361.98	6.15	-68.00
CC(C)N1CC[NH+](CCC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300006710869	1	51	0.0	-68.72	367.42	6.48	-62.24
CC(C)[NH+]1CCN(CCCC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300006710870	0	54	0.0	-74.40	392.29	7.03	-67.37
CC(C)N1CC[NH+](CCCC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300006710870	1	54	0.0	-73.17	389.28	6.91	-66.26
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CC2)=C1	REAL300006710874	0	55	0.0	-72.30	409.81	9.51	-62.79
CC1[C@@H](C)[C@@]1(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006710875	0	52	0.0	-72.37	388.37	8.84	-63.53
CC1[C@@H](C)[C@@]1(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006710878	0	49	0.0	-62.88	369.18	9.13	-53.75
CC1[C@@H](C)[C@@]1(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006710878	1	49	0.0	-64.68	360.37	8.73	-55.95
CC(C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006710882	1	47	0.0	-63.06	350.61	9.97	-53.09
CC(C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[N@H+]1CCC2=CC=CC=C2C1	REAL300006710882	1	47	0.0	-62.70	354.91	10.09	-52.61
CC1[C@@H](C)[C@@]1(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006710898	0	50	0.0	-77.28	378.22	10.22	-67.06
CC1[C@@H](C)[C@@]1(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006710898	1	50	0.0	-77.31	380.41	10.69	-66.62
CC1[C@@H](C)[C@@]1(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006710915	0	50	0.0	-61.43	380.71	11.04	-50.39
CC1[C@@H](C)[C@@]1(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006710915	1	50	0.0	-64.79	371.87	10.56	-54.23
CC1[C@@H](C)[C@@]1(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300006710917	0	51	0.0	-72.45	386.11	8.26	-64.19
CC1[C@@H](C)[C@@]1(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300006710937	1	50	0.0	-77.57	372.85	8.87	-68.70
CC1[C@@H](C)[C@@]1(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006710938	0	50	0.0	-63.51	356.03	9.12	-54.39
CC1[C@@H](C)[C@@]1(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006710938	1	50	0.0	-70.23	358.21	9.12	-61.11
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300006710954	0	52	0.0	-80.48	396.20	8.62	-71.86
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300006710955	0	52	0.0	-85.79	387.33	8.15	-77.64
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300006710955	1	52	0.0	-88.36	386.42	7.96	-80.40
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300006710956	0	53	0.0	-87.22	393.32	9.84	-77.38
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300006711006	0	54	0.0	-91.65	401.95	7.88	-83.77
CC1[C@@H](C)[C@@]1(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006711008	0	50	0.0	-62.07	374.27	10.97	-51.10
CC1[C@@H](C)[C@@]1(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006711008	1	50	0.0	-60.75	370.43	10.80	-49.95
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006711086	1	48	0.0	-86.18	368.53	9.46	-76.72
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006711086	1	48	0.0	-86.28	368.74	9.44	-76.84
CC[NH+](CC)CC1=CC=C(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)O1	REAL300006711124	0	46	0.0	-82.38	351.44	8.45	-73.93
CC1=CC=C(N2CCC(C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CC2)[NH+]=C1	REAL300006711126	1	49	0.0	-74.72	364.35	8.12	-66.60
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C2)CC1	REAL300006711129	0	55	0.0	-91.61	401.64	9.34	-82.27
CC1[C@@H](C)[C@@]1(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006711136	1	38	0.0	-81.65	314.77	6.51	-75.14
CC1[C@@H](C)[C@@]1(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006711160	0	50	0.0	-68.77	372.15	10.19	-58.58
CC1[C@@H](C)[C@@]1(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006711160	1	50	0.0	-71.11	375.44	10.43	-60.68
CC1[C@@H](C)[C@@]1(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006711175	0	51	0.0	-86.80	393.20	9.69	-77.11
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300006711187	0	47	0.0	-83.14	360.67	9.14	-74.00
CC1[C@@H](C)[C@@]1(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006711421	0	40	0.0	-73.62	299.11	7.02	-66.60
CC1[C@@H](C)[C@@]1(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006711421	1	40	0.0	-67.17	309.23	7.65	-59.52
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300006711697	0	46	0.0	-82.82	360.09	10.03	-72.79
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006711700	0	47	0.0	-88.49	358.55	8.50	-79.99
CC1[C@@H](C)[C@@]1(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006711758	0	53	0.0	-75.05	399.14	11.53	-63.52
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006711760	1	51	0.0	-89.17	382.81	8.92	-80.25
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006711760	1	51	0.0	-91.18	387.88	9.23	-81.95
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006712893	0	53	0.0	-61.21	413.91	13.50	-47.71
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300006714229	0	47	0.0	-55.06	359.40	11.01	-44.05
CC1=[NH+]C=C2CCC(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)CN12	REAL300006714257	1	45	0.0	-49.01	357.03	10.79	-38.22
CC1=NC(C[NH+]2CCC(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)CC2)=CS1	REAL300006714323	1	52	0.0	-56.38	418.50	11.14	-45.24
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CC(C(=O)N1CC(C)(C)CC1C(=O)[O-])[NH+]1CCSCC1	REAL300006724121	1	44	0.0	-36.70	322.28	7.74	-28.96
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300006724128	0	49	0.0	-38.09	372.43	10.52	-27.57
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300006724128	1	49	0.0	-38.57	372.43	10.51	-28.06
COCCOCC[N@H+](C)CCC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300006724129	0	53	0.0	-43.01	401.42	6.72	-36.29
COCCOCC[N@@H+](C)CCC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300006724129	1	53	0.0	-46.85	401.47	6.74	-40.11
CC1(C)CC(C(=O)[O-])N(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006724136	0	58	0.0	-52.82	427.59	10.25	-42.57
C[N@H+](CC(=O)N1CC(C)(C)CC1C(=O)[O-])C1CCSC1	REAL300006724158	0	44	0.0	-41.14	332.78	8.30	-32.84
C[N@@H+](CC(=O)N1CC(C)(C)CC1C(=O)[O-])C1CCSC1	REAL300006724158	1	44	0.0	-37.24	332.61	8.32	-28.92
CC(C)[NH+]1CCN(CCC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300006724168	0	54	0.0	-55.47	388.68	7.26	-48.21
CC(C)N1CC[NH+](CCC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300006724168	1	54	0.0	-43.53	388.34	7.25	-36.28
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300006724169	0	57	0.0	-56.50	410.18	8.09	-48.41
CC(C)N1CC[NH+](CCCC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300006724169	1	57	0.0	-49.14	406.67	7.87	-41.27
C[NH+](C)CCN1C=C(C(=O)N2CC(C)(C)CC2C(=O)[O-])C=N1	REAL300006724171	0	46	0.0	-83.74	355.99	7.74	-76.00
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C)(C)CC3C(=O)[O-])CC2)=C1	REAL300006724174	0	58	0.0	-46.81	430.70	10.28	-36.53
CC1(C)CC(C(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006724176	0	55	0.0	-44.87	406.09	9.45	-35.42
CC1(C)CC(C(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300006724179	0	52	0.0	-40.63	378.91	9.66	-30.97
CC1(C)CC(C(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300006724179	1	52	0.0	-65.84	381.44	10.10	-55.74
CC(C(=O)N1CC(C)(C)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006724184	1	50	0.0	-66.56	373.34	11.06	-55.50
CC(C(=O)N1CC(C)(C)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006724184	1	50	0.0	-35.95	368.22	10.38	-25.57
CC1(C)CC(C(=O)[O-])N(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006724203	0	53	0.0	-52.04	397.46	11.31	-40.73
CC1(C)CC(C(=O)[O-])N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006724203	1	53	0.0	-52.36	397.89	11.32	-41.04
C[NH+](C)CCN1C=CC(C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300006724214	0	46	0.0	-59.94	351.99	7.90	-52.04
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300006724215	0	46	0.0	-58.25	348.44	7.26	-50.99
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300006724216	1	47	0.0	-43.05	359.25	9.33	-33.72
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C)(C)CC2C(=O)[O-])=NN1	REAL300006724219	1	47	0.0	-65.88	356.54	7.53	-58.35
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C)(C)CC2C(=O)[O-])=NN1	REAL300006724219	1	47	0.0	-62.88	356.92	7.51	-55.37
CC1(C)CC(C(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300006724227	0	53	0.0	-71.58	402.49	11.35	-60.23
CC1(C)CC(C(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300006724227	1	53	0.0	-64.51	392.98	12.02	-52.49
CC1(C)CC(C(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300006724231	0	54	0.0	-44.65	403.31	8.82	-35.83
CC1(C)CC(C(=O)[O-])N(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300006724267	0	53	0.0	-45.97	374.58	9.82	-36.15
CC1(C)CC(C(=O)[O-])N(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300006724267	1	53	0.0	-73.59	380.71	10.09	-63.50
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C)(C)CC3C(=O)[O-])=C2)CC1	REAL300006724292	0	55	0.0	-57.31	409.26	8.59	-48.72
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)CC1	REAL300006724293	0	55	0.0	-60.11	408.32	8.42	-51.69
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)CC1	REAL300006724293	1	55	0.0	-64.62	410.11	8.52	-56.10
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300006724294	0	56	0.0	-65.90	413.24	10.08	-55.82
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300006724371	0	57	0.0	-66.24	425.26	8.38	-57.86
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C)(C)CC2C(=O)[O-])=C1	REAL300006724375	0	46	0.0	-58.64	350.63	9.17	-49.47
CC1(C)CC(C(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006724376	0	53	0.0	-65.92	388.95	11.57	-54.35
CC1(C)CC(C(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006724376	1	53	0.0	-44.73	395.43	11.23	-33.50
CC[NH+]1CCN(CCC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300006724417	0	51	0.0	-57.50	371.93	6.75	-50.75
CCN1CC[NH+](CCC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300006724417	1	51	0.0	-41.63	371.90	6.76	-34.87
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300006724423	1	47	0.0	-41.34	357.00	9.20	-32.14
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C)(C)CC3C(=O)[O-])=CC=C1N2	REAL300006724470	1	51	0.0	-75.86	388.00	9.71	-66.15
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C)(C)CC3C(=O)[O-])=CC=C1N2	REAL300006724470	1	51	0.0	-75.35	388.10	9.70	-65.65
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C)(C)CC2C(=O)[O-])O1	REAL300006724510	0	49	0.0	-53.43	370.64	9.81	-43.62
CC1=CC=C(N2CCC(C(=O)N3CC(C)(C)CC3C(=O)[O-])CC2)[NH+]=C1	REAL300006724511	1	52	0.0	-48.94	385.89	8.98	-39.96
C[N@H+](CC(=O)N1CC(C)(C)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300006724512	1	46	0.0	-35.80	349.90	9.65	-26.15
C[N@@H+](CC(=O)N1CC(C)(C)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300006724512	1	46	0.0	-34.93	349.95	9.67	-25.26
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)CC1	REAL300006724515	0	58	0.0	-66.73	418.64	9.54	-57.19
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300006724524	1	41	0.0	-83.47	330.21	7.93	-75.54
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300006724551	0	53	0.0	-47.88	393.82	10.81	-37.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300006724551	1	53	0.0	-48.22	388.82	10.80	-37.42
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300006724568	0	54	0.0	-70.98	419.41	10.75	-60.23
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006724582	0	50	0.0	-49.47	376.86	10.23	-39.24
C[N@@H+]1CC(C(=O)N2CC(C)(C)CC2C(=O)[O-])C(C(F)(F)F)C1	REAL300006724876	0	43	0.0	-54.45	321.86	7.52	-46.93
C[N@H+]1CC(C(=O)N2CC(C)(C)CC2C(=O)[O-])C(C(F)(F)F)C1	REAL300006724876	1	43	0.0	-84.52	341.53	7.96	-76.56
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C)(C)CC2C(=O)[O-])=C1	REAL300006725216	0	49	0.0	-70.38	374.63	10.06	-60.32
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300006725221	0	50	0.0	-68.45	381.86	9.01	-59.44
CC1(C)CC(C(=O)[O-])N(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006725293	0	56	0.0	-55.71	412.99	12.06	-43.65
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)CCO1	REAL300006725295	1	54	0.0	-90.15	406.14	9.54	-80.61
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)CCO1	REAL300006725295	1	54	0.0	-66.74	407.23	9.52	-57.22
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C)(C)CC3C(=O)[O-])=CN21	REAL300006725319	0	41	0.0	-48.33	327.47	9.07	-39.26
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300006725356	0	52	0.0	-72.03	375.00	9.78	-62.25
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300006725356	1	52	0.0	-68.00	375.97	9.82	-58.18
CS(=O)(=O)C1=CC=C(C(CO)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006725444	0	50	0.0	-58.04	403.09	2.60	-55.44
CS(=O)(=O)C1=CC=C(C(CO)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006725444	1	50	0.0	-56.13	397.59	2.62	-53.51
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CO)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300006725563	0	54	0.0	-49.55	416.56	8.49	-41.06
O=C([O-])C1CCC[N@H+](CC(=O)NC(CO)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300006725563	1	54	0.0	-47.88	411.06	8.52	-39.36
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCN3N=C(CO)C=C3C2)C1	REAL300006725683	0	48	0.0	-53.99	364.55	4.79	-49.20
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCN3N=C(CO)C=C3C2)C1	REAL300006725683	1	48	0.0	-50.93	357.09	4.33	-46.60
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C(C3CC3)OC=N2)C1	REAL300006725844	0	43	0.0	-50.08	343.81	4.34	-45.74
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C(C3CC3)OC=N2)C1	REAL300006725844	1	43	0.0	-47.92	338.56	4.35	-43.57
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H](C2=CC=CC=C2)C(F)F)C1	REAL300006725936	1	43	0.0	-49.13	343.05	8.47	-40.66
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H](C2=CC=CC=C2)C(F)F)C1	REAL300006725936	1	43	0.0	-47.82	341.88	8.42	-39.40
CC(C)CC1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006726051	0	52	0.0	-46.77	379.31	9.12	-37.65
CC(C)CC1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006726051	1	52	0.0	-47.56	380.17	9.09	-38.47
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2COC2CCCCC2)C1	REAL300006726162	0	60	0.0	-49.27	450.19	10.93	-38.34
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2COC2CCCCC2)C1	REAL300006726162	1	60	0.0	-46.69	443.98	10.92	-35.77
O=C([O-])C1CCC[N@H+](CC(=O)NCC=C2CCSCC2)C1	REAL300006726247	0	45	0.0	-49.83	349.31	7.97	-41.86
O=C([O-])C1CCC[N@@H+](CC(=O)NCC=C2CCSCC2)C1	REAL300006726247	1	45	0.0	-48.97	343.11	7.95	-41.02
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006727775	0	48	0.0	-76.03	370.04	11.83	-64.20
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=C(C=CC(F)=C4F)C3C(=O)[O-])CN12	REAL300006727798	1	46	0.0	-67.60	358.38	11.24	-56.36
CC(C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])N1CC[NH+](C)CC1	REAL300006727852	1	49	0.0	-74.07	368.66	8.52	-65.55
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006727879	0	44	0.0	-61.79	334.92	10.31	-51.48
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006727879	1	44	0.0	-63.99	323.13	9.54	-54.45
C[NH+]1CCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006727924	0	44	0.0	-80.10	339.23	10.36	-69.74
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006727951	0	39	0.0	-74.92	324.85	12.09	-62.83
C[NH+](C)CC1(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CCCCC1	REAL300006727975	0	53	0.0	-70.73	366.76	11.16	-59.57
C[N@H+](CCC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CCCCC1	REAL300006727979	0	53	0.0	-65.47	398.69	11.72	-53.75
C[N@@H+](CCC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CCCCC1	REAL300006727979	1	53	0.0	-66.15	398.69	11.72	-54.43
C[N@@H+]1CCCC1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006727991	0	41	0.0	-60.87	318.16	8.71	-52.16
C[N@H+]1CCCC1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006727991	1	41	0.0	-55.91	318.21	8.71	-47.20
C[NH+]1CCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006728035	0	44	0.0	-80.10	339.23	10.36	-69.74
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728070	1	45	0.0	-71.90	367.59	11.86	-60.04
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCCC[NH+]1CCOCC1	REAL300006728071	1	51	0.0	-71.99	398.54	9.71	-62.28
C[C@@H](C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[NH+](C)C	REAL300006728075	0	40	0.0	-56.37	315.61	8.40	-47.97
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728076	0	41	0.0	-58.80	311.52	9.04	-49.76
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728076	1	41	0.0	-60.72	318.15	9.55	-51.17
C[C@H](C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[NH+](C)C	REAL300006728079	0	40	0.0	-60.80	316.54	8.43	-52.37
CCC(C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[NH+](CC)CC	REAL300006728133	0	49	0.0	-53.44	361.13	10.35	-43.09
CC(C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006728135	0	50	0.0	-64.30	387.26	12.59	-51.71
CC(C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006728135	1	50	0.0	-62.83	387.70	12.61	-50.22
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C=N1	REAL300006728148	0	46	0.0	-81.34	373.58	10.36	-70.98
CCC[NH+](CCC)CCCC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728151	0	55	0.0	-67.21	418.36	12.04	-55.17
C[N@@H+]1CCOC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006728152	1	42	0.0	-85.51	326.65	8.49	-77.02
C[N@H+]1CCOC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006728152	1	42	0.0	-67.27	323.49	8.08	-59.19
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728160	1	45	0.0	-59.50	359.78	11.46	-48.04
C[NH+](C)CC1(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006728173	0	44	0.0	-66.39	347.18	9.71	-56.68
C[NH+](C)CCCCC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728178	0	46	0.0	-70.77	365.64	10.25	-60.52
CC1=C(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006728192	1	45	0.0	-73.60	374.39	9.64	-63.96
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006728200	1	47	0.0	-68.56	380.47	10.46	-58.10
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C=C1	REAL300006728201	0	50	0.0	-89.59	399.60	13.08	-76.51
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728206	1	43	0.0	-56.93	350.32	8.61	-48.32
CCC[N@H+](C)CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728210	0	43	0.0	-63.74	336.19	10.17	-53.57
CCC[N@@H+](C)CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728210	1	43	0.0	-63.84	336.24	10.18	-53.66
C[N@H+](CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CCC1	REAL300006728223	0	44	0.0	-60.56	343.23	10.75	-49.81
C[N@@H+](CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CCC1	REAL300006728223	1	44	0.0	-61.21	342.69	10.64	-50.57
CC(C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[NH+]1CCSCC1	REAL300006728240	1	45	0.0	-58.46	356.74	10.02	-48.44
C[N@H+](CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])CC(C)(C)C	REAL300006728242	0	49	0.0	-63.96	366.65	11.32	-52.64
C[N@@H+](CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])CC(C)(C)C	REAL300006728242	1	49	0.0	-63.76	367.22	11.31	-52.45
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728244	0	50	0.0	-65.89	396.10	13.21	-52.68
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728244	1	50	0.0	-65.82	396.15	13.21	-52.61
CC[C@@H](C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[NH+](C)C	REAL300006728246	0	43	0.0	-65.80	324.62	9.88	-55.92
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006728248	0	48	0.0	-61.73	360.19	8.35	-53.38
C[N@H+]1CCCC(O)(CC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006728248	1	48	0.0	-71.61	354.35	8.54	-63.07
CCCCCC[N@H+](C)CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728259	0	52	0.0	-64.88	400.69	12.53	-52.35
CCCCCC[N@@H+](C)CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728259	1	52	0.0	-64.90	400.68	12.51	-52.39
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006728274	1	39	0.0	-84.46	325.46	12.12	-72.34
C[N@H+](CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CCSC1	REAL300006728282	0	45	0.0	-66.25	356.31	11.01	-55.24
C[N@@H+](CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CCSC1	REAL300006728282	1	45	0.0	-70.07	355.95	11.02	-59.05
CC(C)[NH+]1CCN(CCC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006728297	0	55	0.0	-76.05	412.32	10.09	-65.96
CC(C)N1CC[NH+](CCC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006728297	1	55	0.0	-65.60	415.02	9.29	-56.31
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300006728298	0	48	0.0	-53.37	365.46	10.80	-42.57
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300006728298	1	48	0.0	-66.92	350.77	11.05	-55.87
C[NH+](C)CCN1C=C(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C=N1	REAL300006728299	0	47	0.0	-68.30	377.55	9.14	-59.16
C[NH+](C)CCN1C=CC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300006728329	0	47	0.0	-64.08	382.16	9.88	-54.20
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728330	0	47	0.0	-54.30	380.68	9.40	-44.90
C[C@@H]1[C@H](C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC[N@@H+]1C	REAL300006728332	0	44	0.0	-64.57	335.05	9.39	-55.18
C[C@@H]1[C@H](C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC[N@H+]1C	REAL300006728332	1	44	0.0	-61.99	337.01	9.69	-52.30
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728333	1	48	0.0	-59.57	386.24	11.35	-48.22
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC[N@@H+]1C	REAL300006728336	0	47	0.0	-74.73	349.38	10.25	-64.48
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC[N@H+]1C	REAL300006728336	1	47	0.0	-73.95	358.30	10.86	-63.09
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=NN1	REAL300006728338	1	48	0.0	-66.37	382.60	9.53	-56.84
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=NN1	REAL300006728338	1	48	0.0	-83.34	378.30	10.08	-73.26
CC1C[N@H+](C)CC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])O1	REAL300006728343	1	45	0.0	-70.65	354.60	9.18	-61.47
CC1C[N@@H+](C)CC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])O1	REAL300006728343	1	45	0.0	-86.26	347.78	9.20	-77.06
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C[NH+]1CCCC1	REAL300006728348	0	41	0.0	-59.26	325.77	9.20	-50.06
CC1=[NH+]C=CN1CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728350	1	39	0.0	-61.51	325.41	10.48	-51.03
CC(C[NH+]1CCOCC1)C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728352	1	48	0.0	-66.65	371.20	8.68	-57.97
CC1CC[NH+](CC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006728371	0	47	0.0	-59.51	362.87	10.56	-48.95
CC[N@@H+]1CCOC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006728382	1	45	0.0	-73.40	347.73	9.00	-64.40
CC[N@H+]1CCOC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006728382	1	45	0.0	-65.47	340.59	8.80	-56.67
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006728409	0	54	0.0	-71.68	398.62	12.59	-59.09
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006728409	1	54	0.0	-61.73	402.00	11.85	-49.88
C[N@@H+]1CCCC1CCC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728414	0	47	0.0	-78.60	364.03	11.43	-67.17
C[N@H+]1CCCC1CCC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728414	1	47	0.0	-64.60	361.59	10.25	-54.35
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300006728424	0	48	0.0	-61.05	361.32	11.68	-49.37
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300006728424	1	48	0.0	-58.05	360.55	10.57	-47.48
CC[NH+](CC)CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728443	0	43	0.0	-57.60	331.86	9.15	-48.45
CC(C)[NH+]1CCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006728445	0	50	0.0	-77.01	373.49	11.54	-65.47
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C12CC[NH+](CC1)C2	REAL300006728509	0	42	0.0	-68.22	324.20	8.32	-59.90
CCC(C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[NH+](C)C	REAL300006728512	0	43	0.0	-65.78	324.63	9.88	-55.90
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300006728519	0	45	0.0	-73.80	330.38	8.80	-65.00
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300006728519	1	45	0.0	-68.13	330.88	8.84	-59.29
CC1CCC(C)[NH+]1CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728553	0	47	0.0	-55.47	357.31	9.95	-45.52
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=C1	REAL300006728554	0	47	0.0	-83.50	377.81	12.24	-71.26
C#CC[NH+]1CCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006728594	0	46	0.0	-82.48	364.37	11.57	-70.91
CC[NH+]1CCN(CCC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006728596	0	52	0.0	-77.74	395.58	9.58	-68.16
CCN1CC[NH+](CCC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006728596	1	52	0.0	-65.52	398.39	8.75	-56.77
CC(C)[N@H+](C)CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728597	0	43	0.0	-60.76	331.37	9.95	-50.81
CC(C)[N@@H+](C)CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728597	1	43	0.0	-61.50	331.43	9.96	-51.54
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728601	1	48	0.0	-58.54	385.70	11.29	-47.25
CC[N@H+](CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CC1	REAL300006728607	0	44	0.0	-55.80	348.88	10.11	-45.69
CC[N@@H+](CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CC1	REAL300006728607	1	44	0.0	-57.01	346.64	10.05	-46.96
CC(C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[NH+]1CCCCCC1	REAL300006728626	0	50	0.0	-56.30	367.52	10.41	-45.89
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728629	0	41	0.0	-57.30	320.86	8.87	-48.43
C[N@H+]1CCC[C@H]1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728629	1	41	0.0	-66.26	315.02	9.27	-56.99
CC(C)(C)[NH2+]CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728683	0	43	0.0	-57.74	339.23	7.79	-49.95
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])O1	REAL300006728684	0	50	0.0	-53.32	397.77	11.34	-41.98
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCCC[NH+]1CCCC1	REAL300006728685	0	50	0.0	-69.52	389.99	11.34	-58.18
C[N@H+](CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])CC1=CC=CC=C1	REAL300006728687	1	47	0.0	-67.63	373.67	12.36	-55.27
C[N@@H+](CC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])CC1=CC=CC=C1	REAL300006728687	1	47	0.0	-67.91	373.67	12.36	-55.55
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006728709	1	42	0.0	-67.85	352.54	9.09	-58.76
C[NH+](C)CC1=CC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=NO1	REAL300006728723	1	43	0.0	-81.24	352.16	10.17	-71.07
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728735	0	47	0.0	-56.38	352.56	9.90	-46.48
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300006728735	1	47	0.0	-56.97	355.43	9.99	-46.98
C[NH+]1CCC(OCC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006728750	0	48	0.0	-74.44	379.61	10.35	-64.09
CCC[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006728864	0	50	0.0	-65.62	383.20	11.00	-54.62
CCC[N@H+]1CCCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006728864	1	50	0.0	-71.95	378.36	11.72	-60.23
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006728882	1	48	0.0	-63.24	373.71	7.25	-55.99
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006729020	0	50	0.0	-64.39	377.51	10.86	-53.53
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006729020	1	50	0.0	-51.27	376.08	10.84	-40.43
C[N@@H+]1CC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006729021	0	44	0.0	-70.01	345.49	10.64	-59.37
C[N@H+]1CC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006729021	1	44	0.0	-68.36	350.66	9.43	-58.93
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])N1	REAL300006729042	1	45	0.0	-59.54	370.51	9.41	-50.13
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=C1	REAL300006729356	0	50	0.0	-85.20	400.30	13.07	-72.13
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006729460	0	44	0.0	-69.61	348.58	9.77	-59.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300006729464	0	50	0.0	-61.63	362.44	11.04	-50.59
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=C(C=CC(F)=C4F)C3C(=O)[O-])=CN12	REAL300006729467	0	42	0.0	-71.88	351.38	12.07	-59.81
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006729508	0	53	0.0	-68.21	396.62	12.37	-55.84
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006729508	1	53	0.0	-56.07	385.27	12.42	-43.65
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006729509	0	47	0.0	-65.96	360.94	10.34	-55.62
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006729509	1	47	0.0	-62.17	362.22	10.29	-51.88
C[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006729514	0	44	0.0	-67.74	344.04	9.61	-58.13
C[N@H+]1CCCC(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300006729514	1	44	0.0	-57.08	331.32	10.32	-46.76
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])O1	REAL300006729516	1	44	0.0	-55.82	360.98	9.88	-45.94
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006729524	0	46	0.0	-71.05	356.62	11.29	-59.76
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006729524	1	46	0.0	-66.77	344.20	11.26	-55.51
CC1=C(C)C2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2N1	REAL300006729600	0	47	0.0	-49.42	356.83	8.07	-41.35
CC1=C(C)C2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2N1	REAL300006729600	1	47	0.0	-53.22	358.20	8.58	-44.64
O=C([O-])C1CCC[N@H+](CC(=O)NCCCCC(F)(F)F)C1	REAL300006729687	0	42	0.0	-51.42	339.42	7.11	-44.31
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCCC(F)(F)F)C1	REAL300006729687	1	42	0.0	-50.78	338.78	7.09	-43.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3=CC=C(O)C=C3)C2)C1	REAL300006729892	0	51	0.0	-50.27	381.89	8.05	-42.22
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3=CC=C(O)C=C3)C2)C1	REAL300006729892	1	51	0.0	-46.90	375.21	7.60	-39.30
CC(C)(CO)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006730012	0	53	0.0	-48.77	372.74	6.30	-42.47
CC(C)(CO)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006730012	1	53	0.0	-45.43	365.27	5.84	-39.59
COC1=CN=CC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006730121	0	46	0.0	-52.55	351.87	6.95	-45.60
COC1=CN=CC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006730121	1	46	0.0	-50.96	358.90	7.00	-43.96
O=C([O-])C1CCC[N@H+](CC(=O)NCC(F)C2=CC=CC=C2)C1	REAL300006730269	0	43	0.0	-49.72	343.01	8.24	-41.48
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(F)C2=CC=CC=C2)C1	REAL300006730269	1	43	0.0	-48.17	336.76	8.22	-39.95
CC(C)CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006730382	0	58	0.0	-46.98	419.17	12.23	-34.75
CC(C)CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006730382	1	58	0.0	-48.58	431.53	11.46	-37.12
COC1=CC=C(C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)F)C=C1	REAL300006730512	0	50	0.0	-55.59	391.51	8.18	-47.41
COC1=CC=C(C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)F)C=C1	REAL300006730512	1	50	0.0	-50.97	390.03	8.37	-42.60
COC1=CC(C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=CC=C1F	REAL300006730684	0	54	0.0	-52.94	406.68	10.29	-42.65
COC1=CC(C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=CC=C1F	REAL300006730684	1	54	0.0	-49.50	399.97	9.82	-39.68
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C(O)C3=CC=CC=C3)C2)C1	REAL300006730811	0	54	0.0	-48.66	399.11	8.56	-40.10
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C(O)C3=CC=CC=C3)C2)C1	REAL300006730811	1	54	0.0	-45.56	392.49	8.10	-37.46
COCC1=NOC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006730981	0	45	0.0	-57.51	357.23	2.75	-54.76
COCC1=NOC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006730981	1	45	0.0	-53.69	355.32	2.31	-51.38
CSCC1=NOC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006731183	1	42	0.0	-51.50	346.80	4.07	-47.43
CSCC1=NOC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006731183	1	42	0.0	-53.04	353.54	4.11	-48.93
CC1=CC=C([C@]23C[C@H]2CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C3)C=C1	REAL300006731351	0	51	0.0	-50.55	382.58	11.56	-38.99
CC1=CC=C([C@]23C[C@H]2CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C3)C=C1	REAL300006731351	1	51	0.0	-48.80	389.27	11.56	-37.24
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3(O)CC3)C2)C1	REAL300006731442	0	46	0.0	-49.70	347.33	4.08	-45.62
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3(O)CC3)C2)C1	REAL300006731442	1	46	0.0	-46.45	340.58	3.63	-42.82
CC(C)C1CCC(C)N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006731516	0	52	0.0	-44.47	358.97	9.82	-34.65
CC(C)C1CCC(C)N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006731516	1	52	0.0	-41.90	359.18	9.32	-32.58
CC1CCC(C2CCC2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006731615	0	53	0.0	-45.55	370.72	10.75	-34.80
CC1CCC(C2CCC2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006731615	1	53	0.0	-42.02	369.69	10.24	-31.78
CC12CCC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)(CC1)OC2	REAL300006731725	0	51	0.0	-46.16	370.67	7.08	-39.08
CC12CCC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)(CC1)OC2	REAL300006731725	1	51	0.0	-47.15	370.54	7.09	-40.06
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)SCC1=CC=CC=C1	REAL300006731844	0	50	0.0	-48.27	393.68	10.24	-38.03
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)SCC1=CC=CC=C1	REAL300006731844	1	50	0.0	-47.92	399.89	10.26	-37.66
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=C(F)C=C3F)CC2)C1	REAL300006732025	0	50	0.0	-46.98	375.93	10.59	-36.39
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=C(F)C=C3F)CC2)C1	REAL300006732025	1	50	0.0	-50.00	383.40	11.05	-38.95
CC1CCC(C2CCCC2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006732151	0	56	0.0	-45.08	390.86	11.12	-33.96
CC1CCC(C2CCCC2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006732151	1	56	0.0	-42.16	384.72	10.62	-31.54
CC1CCC(C2CCCCC2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006732276	0	59	0.0	-45.87	400.70	11.75	-34.12
CC1CCC(C2CCCCC2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006732276	1	59	0.0	-42.21	400.81	11.19	-31.02
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=C(F)C=CC=C2Cl)C1	REAL300006732433	0	44	0.0	-48.24	372.79	7.80	-40.44
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=C(F)C=CC=C2Cl)C1	REAL300006732433	1	44	0.0	-48.00	372.91	7.79	-40.21
COC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCOC1	REAL300006732514	0	45	0.0	-48.18	332.64	3.37	-44.81
COC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCOC1	REAL300006732514	1	45	0.0	-49.02	339.11	3.49	-45.53
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@@H]3C[C@]3(C(F)F)C2)C1	REAL300006732616	0	41	0.0	-52.97	316.25	8.56	-44.41
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@@H]3C[C@]3(C(F)F)C2)C1	REAL300006732616	1	41	0.0	-46.10	316.28	7.82	-38.28
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3CCCCCCC3C2)C1	REAL300006732759	0	53	0.0	-42.37	359.10	9.44	-32.93
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3CCCCCCC3C2)C1	REAL300006732759	1	53	0.0	-45.69	367.57	9.96	-35.73
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC1=NC(C2CC2)=NO1	REAL300006732868	0	45	0.0	-52.18	353.06	4.84	-47.34
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC1=NC(C2CC2)=NO1	REAL300006732868	1	45	0.0	-55.63	354.96	5.29	-50.34
CC(C)(C)C1=NOC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006732978	1	47	0.0	-49.24	363.80	4.63	-44.61
CC(C)(C)C1=NOC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006732978	1	47	0.0	-51.87	370.54	4.66	-47.21
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(C3=CSC=C3)=C2)C1	REAL300006733101	0	47	0.0	-49.26	382.28	9.85	-39.41
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(C3=CSC=C3)=C2)C1	REAL300006733101	1	47	0.0	-47.52	376.07	9.83	-37.69
CCCCCCC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006733230	0	58	0.0	-45.45	418.84	11.85	-33.60
CCCCCCC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006733230	1	58	0.0	-42.54	412.15	11.37	-31.17
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(C2)CCSCC3)C1	REAL300006733346	0	48	0.0	-45.14	347.61	8.83	-36.31
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(C2)CCSCC3)C1	REAL300006733346	1	48	0.0	-48.65	353.51	9.14	-39.51
COC(C1CC1)C(F)(F)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006733488	1	47	0.0	-45.88	361.61	6.75	-39.13
COC(C1CC1)C(F)(F)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006733488	1	47	0.0	-48.70	369.09	6.61	-42.09
CCC1=NOC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006733578	0	44	0.0	-55.27	345.05	4.38	-50.89
CCC1=NOC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300006733578	1	44	0.0	-51.88	343.14	3.94	-47.94
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C3CCOCC3=C2)C1	REAL300006733688	0	51	0.0	-48.32	383.81	7.81	-40.51
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C3CCOCC3=C2)C1	REAL300006733688	1	51	0.0	-51.80	385.75	8.26	-43.54
CCCCC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006733782	0	52	0.0	-45.73	375.84	10.29	-35.44
CCCCC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006733782	1	52	0.0	-42.69	369.15	9.81	-32.88
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006735053	0	59	0.0	-71.59	419.02	12.10	-59.49
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300006735754	0	56	0.0	-70.75	396.90	11.17	-59.58
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300006735754	1	56	0.0	-61.76	405.02	11.68	-50.08
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300006736602	1	56	0.0	-71.91	412.55	11.66	-60.25
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300006736602	1	56	0.0	-59.93	415.12	12.05	-47.88
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300006736686	0	53	0.0	-76.85	366.69	9.73	-67.12
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300006736716	0	50	0.0	-50.15	346.12	8.90	-41.25
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300006736716	1	50	0.0	-69.40	349.46	9.24	-60.16
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)CN12	REAL300006736722	1	51	0.0	-70.42	365.15	9.53	-60.89
CC(C)(C(=O)[O-])C1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300006736723	0	59	0.0	-72.96	421.65	12.11	-60.85
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)CC2)=CS1	REAL300006736801	1	58	0.0	-68.02	426.94	9.88	-58.14
CC(C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300006736802	1	54	0.0	-68.25	376.21	6.98	-61.27
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300006736888	0	62	0.0	-79.61	453.57	11.85	-67.76
CC(C)(C(=O)[O-])C1CCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006736901	0	62	0.0	-56.30	422.22	12.02	-44.28
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300006736958	0	44	0.0	-77.58	335.28	10.41	-67.17
C[NH+](C)CC1(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)CCCCC1	REAL300006736990	0	58	0.0	-45.83	367.41	9.74	-36.09
C[N@H+](CCC(=O)N1CCC(C(C)(C)C(=O)[O-])CC1)C1CCCCC1	REAL300006736995	0	58	0.0	-77.34	397.91	10.69	-66.65
C[N@@H+](CCC(=O)N1CCC(C(C)(C)C(=O)[O-])CC1)C1CCCCC1	REAL300006736995	1	58	0.0	-65.26	396.75	10.68	-54.58
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006737016	1	59	0.0	-75.74	415.27	11.91	-63.83
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006737016	1	59	0.0	-65.65	413.78	11.89	-53.76
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006737017	1	56	0.0	-63.93	403.29	11.23	-52.70
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006737017	1	56	0.0	-60.62	404.79	11.60	-49.02
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300006737071	0	52	0.0	-69.08	387.62	9.33	-59.75
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300006737096	0	59	0.0	-57.11	388.91	10.68	-46.43
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300006737096	1	59	0.0	-65.78	394.09	10.83	-54.95
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300006737097	0	60	0.0	-69.09	410.74	9.19	-59.90
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006737128	1	50	0.0	-64.95	369.29	9.99	-54.96
CC(C)(C(=O)[O-])C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300006737129	1	56	0.0	-71.08	396.60	8.68	-62.40
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C=C1)C(C)C	REAL300006737131	0	61	0.0	-68.17	423.91	11.80	-56.37
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C=C1)C(C)C	REAL300006737131	1	61	0.0	-81.39	415.71	11.41	-69.98
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CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300006737330	0	59	0.0	-72.16	419.18	12.09	-60.07
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300006737343	1	52	0.0	-74.41	380.91	9.51	-64.90
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C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)=C2)CC1	REAL300006737699	0	61	0.0	-72.69	433.99	9.61	-63.08
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)C=C2)CC1	REAL300006737700	0	61	0.0	-81.28	434.53	9.46	-71.82
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)C=C2)CC1	REAL300006737700	1	61	0.0	-71.88	435.58	9.54	-62.34
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300006737701	0	62	0.0	-69.15	437.01	11.03	-58.12
CC(C)[NH+]1CCC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006737709	0	55	0.0	-64.56	374.09	9.57	-54.99
CC(C)(C(=O)[O-])C1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300006737796	0	50	0.0	-64.33	332.41	7.91	-56.42
CC(C)(C(=O)[O-])C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300006737796	1	50	0.0	-64.17	332.91	7.96	-56.21
CC1CCC(C)[NH+]1CC(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006737849	0	52	0.0	-60.50	357.77	9.10	-51.40
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)=C1	REAL300006737850	0	52	0.0	-78.91	376.23	10.21	-68.70
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006737851	0	59	0.0	-68.54	411.09	12.29	-56.25
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006737851	1	59	0.0	-80.41	420.50	12.16	-68.25
C#CC[NH+]1CCC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006737921	0	51	0.0	-81.05	368.57	9.81	-71.24
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006737923	0	55	0.0	-69.10	379.62	9.98	-59.12
CCC[N@H+]1CCCCC1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006737923	1	55	0.0	-55.10	379.19	10.02	-45.08
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006737924	0	52	0.0	-65.62	374.74	10.25	-55.37
CC[NH+]1CCN(CCC(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006737926	0	57	0.0	-76.70	397.60	7.72	-68.98
CCN1CC[NH+](CCC(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006737926	1	57	0.0	-66.81	399.11	7.78	-59.03
CC(C)C(C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300006737928	0	58	0.0	-69.74	384.41	10.48	-59.26
C[NH+](C)C(C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006737929	1	52	0.0	-69.68	368.57	10.28	-59.40
CC(C)(C(=O)[O-])C1CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006737933	0	57	0.0	-64.19	407.18	8.40	-55.79
CC(C)(C(=O)[O-])C1CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006737933	1	57	0.0	-74.80	409.23	8.52	-66.28
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006737939	1	53	0.0	-58.66	383.81	10.26	-48.40
C[NH+](C)CC1=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300006737940	0	55	0.0	-65.78	401.91	10.83	-54.95
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300006737946	0	56	0.0	-69.79	383.80	10.43	-59.36
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300006737946	1	56	0.0	-57.48	382.29	10.40	-47.08
CC(C)(C(=O)[O-])C1CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC1	REAL300006737975	1	57	0.0	-69.22	413.38	11.96	-57.26
CC(C)C(C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300006737976	1	62	0.0	-54.93	415.92	9.61	-45.32
CC(C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1)[NH+]1CCCCCC1	REAL300006737977	0	55	0.0	-55.99	365.60	9.47	-46.52
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)=CC=C1N2	REAL300006738015	1	57	0.0	-74.30	413.18	10.64	-63.66
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)=CC=C1N2	REAL300006738015	1	57	0.0	-76.91	410.71	10.61	-66.30
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)O1	REAL300006738070	0	55	0.0	-63.64	396.75	10.18	-53.46
CC(C)(C(=O)[O-])C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300006738071	0	55	0.0	-68.30	389.66	10.41	-57.89
CC1=CC=C(N2CCC(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300006738073	1	58	0.0	-64.17	411.95	9.96	-54.21
C[N@H+](CC(=O)N1CCC(C(C)(C)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300006738074	1	52	0.0	-77.66	376.15	10.63	-67.03
C[N@@H+](CC(=O)N1CCC(C(C)(C)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300006738074	1	52	0.0	-67.09	377.11	10.66	-56.43
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300006738096	1	47	0.0	-74.71	357.18	8.20	-66.51
C[NH+](C)CC1=CC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)=NO1	REAL300006738127	1	48	0.0	-76.95	356.86	8.42	-68.53
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006738131	0	59	0.0	-68.18	420.27	11.84	-56.34
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006738131	1	59	0.0	-73.83	420.03	11.94	-61.89
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006738148	0	52	0.0	-68.63	354.46	8.91	-59.72
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006738148	1	52	0.0	-68.09	354.72	8.96	-59.13
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300006738155	0	60	0.0	-79.41	439.76	11.54	-67.87
C[NH+]1CCC(OCC(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006738175	0	53	0.0	-83.15	380.39	9.24	-73.91
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300006738180	0	56	0.0	-67.78	403.47	10.70	-57.08
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300006738225	0	58	0.0	-66.68	412.64	10.22	-56.46
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300006738225	1	58	0.0	-72.41	409.53	10.10	-62.31
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C1	REAL300006738378	0	55	0.0	-74.78	382.58	9.98	-64.80
CCC[N@H+]1CCCC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C1	REAL300006738378	1	55	0.0	-75.18	383.13	9.99	-65.19
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006738411	0	55	0.0	-71.47	371.94	10.46	-61.01
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006738411	1	55	0.0	-57.18	381.70	10.05	-47.13
CC(C)(C(=O)[O-])C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300006738412	0	53	0.0	-76.14	373.90	6.25	-69.89
CC(C)(C(=O)[O-])C1CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300006738514	0	60	0.0	-81.83	421.67	12.22	-69.61
CC(C)(C(=O)[O-])C1CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300006738514	1	60	0.0	-81.03	424.20	12.21	-68.82
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300006738555	1	59	0.0	-64.45	421.71	12.23	-52.22
CC(C)(C(=O)[O-])C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300006738555	1	59	0.0	-71.06	424.01	12.30	-58.76
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C1	REAL300006738650	0	55	0.0	-63.58	376.79	9.65	-53.93
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C1	REAL300006738650	1	55	0.0	-59.79	371.16	9.92	-49.87
C[N@@H+]1CC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006738651	0	49	0.0	-78.79	348.20	8.76	-70.03
C[N@H+]1CC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006738651	1	49	0.0	-81.02	348.62	8.33	-72.69
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)N1	REAL300006738675	1	50	0.0	-69.77	370.67	8.42	-61.35
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)=C1	REAL300006739175	0	55	0.0	-79.90	398.72	11.05	-68.85
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300006739183	0	56	0.0	-72.92	408.34	10.08	-62.84
CC(C)(C(=O)[O-])C1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006739285	0	62	0.0	-68.31	438.04	13.05	-55.26
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)C=C2)CCO1	REAL300006739287	1	60	0.0	-86.94	430.89	10.43	-76.51
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)C=C2)CCO1	REAL300006739287	1	60	0.0	-85.41	430.83	10.43	-74.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006739334	0	55	0.0	-65.54	369.80	9.52	-56.02
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C1	REAL300006739401	0	58	0.0	-80.07	401.24	10.69	-69.38
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C1	REAL300006739401	1	58	0.0	-80.07	401.24	10.69	-69.38
CC[N@@H+]1CCCC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C1	REAL300006739402	0	52	0.0	-60.19	359.08	9.17	-51.02
CC[N@H+]1CCCC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C1	REAL300006739402	1	52	0.0	-60.19	359.08	9.17	-51.02
CN(C)CC1=CC=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)O1	REAL300006739408	0	49	0.0	-81.94	359.93	8.70	-73.24
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)O1	REAL300006739408	1	49	0.0	-81.94	359.93	8.70	-73.24
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C1	REAL300006739414	0	58	0.0	-79.64	381.06	9.67	-69.97
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C1	REAL300006739414	1	58	0.0	-79.64	381.06	9.67	-69.97
CC(C)(C(=O)[O-])C1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300006739417	0	51	0.0	-62.13	353.50	9.66	-52.47
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCC3CC3)C2)C1	REAL300006739542	0	48	0.0	-45.23	359.85	7.88	-37.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCC3CC3)C2)C1	REAL300006739542	1	48	0.0	-45.23	359.85	7.88	-37.35
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(C3=CC=C(Cl)C=C3)=NO2)C1	REAL300006739799	0	46	0.0	-50.11	382.20	9.07	-41.04
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NN=NN2C2=CC=C(F)C=C2)C1	REAL300006739925	0	45	0.0	-55.15	362.60	7.08	-48.07
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(C2)OC[C@H]2C[C@H]23)C1	REAL300006740043	0	49	0.0	-43.55	348.99	7.80	-35.75
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(C2)OC[C@H]2C[C@H]23)C1	REAL300006740043	1	49	0.0	-43.94	350.45	7.86	-36.08
O=C([O-])C1CCC[N@H+](CC(=O)N2CCP(=O)(C3=CC=CC=C3)CC2)C1	REAL300006740164	0	50	0.0	-52.62	383.23	9.18	-43.44
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCP(=O)(C3=CC=CC=C3)CC2)C1	REAL300006740164	1	50	0.0	-53.46	389.25	9.02	-44.44
O=C([O-])C1CCCC1C1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006741155	0	63	0.0	-87.81	454.21	13.81	-74.00
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300006741705	0	60	0.0	-67.84	425.34	12.96	-54.88
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300006741705	1	60	0.0	-66.24	426.82	12.96	-53.28
O=C([O-])C1CCCC1C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300006742521	0	57	0.0	-73.99	394.34	11.29	-62.70
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300006742546	0	54	0.0	-72.06	377.88	10.43	-61.63
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300006742546	1	54	0.0	-50.61	372.60	10.61	-40.00
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4CCCC4C(=O)[O-])CC3)CN12	REAL300006742552	1	55	0.0	-72.60	400.01	11.26	-61.34
O=C([O-])C1CCCC1C1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300006742553	0	63	0.0	-73.27	442.75	13.96	-59.31
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006742631	0	53	0.0	-56.84	356.97	9.53	-47.31
C[N@H+]1CCCCC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006742631	1	53	0.0	-51.90	355.94	9.75	-42.15
CC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300006742632	1	58	0.0	-69.50	400.54	8.27	-61.23
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006742672	0	53	0.0	-51.51	363.29	9.98	-41.53
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006742672	1	53	0.0	-66.53	356.04	9.77	-56.76
C[NH+]1CCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006742755	0	53	0.0	-78.12	364.36	9.87	-68.25
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300006742785	0	48	0.0	-73.73	351.17	11.58	-62.15
C[NH+](C)CC1(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CCCCC1	REAL300006742819	0	62	0.0	-72.79	406.99	11.33	-61.46
C[N@H+](CCC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1CCCCC1	REAL300006742824	0	62	0.0	-81.18	432.18	12.34	-68.84
C[N@@H+](CCC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1CCCCC1	REAL300006742824	1	62	0.0	-74.06	422.05	12.08	-61.98
C[N@@H+]1CCCC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006742840	0	50	0.0	-59.94	352.39	9.41	-50.53
C[N@H+]1CCCC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006742840	1	50	0.0	-62.35	352.47	9.20	-53.15
C[NH+]1CCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006742895	0	53	0.0	-78.12	364.36	9.87	-68.25
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300006742899	0	56	0.0	-65.47	413.89	10.78	-54.69
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300006742918	0	63	0.0	-63.59	427.62	13.10	-50.49
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300006742918	1	63	0.0	-61.05	418.84	12.18	-48.87
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300006742919	0	64	0.0	-65.97	424.76	10.30	-55.67
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006742954	1	54	0.0	-71.20	394.62	11.40	-59.80
O=C([O-])C1CCCC1C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300006742955	1	60	0.0	-78.40	421.87	10.08	-68.32
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006742960	0	50	0.0	-68.34	345.82	9.06	-59.28
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006742960	1	50	0.0	-53.31	345.11	9.22	-44.09
C[NH+](C)C1(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006742969	0	50	0.0	-71.92	342.84	8.83	-63.09
O=C([O-])C1CCCC1C1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006743012	0	60	0.0	-73.78	422.96	12.71	-61.07
O=C([O-])C1CCCC1C1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006743012	1	60	0.0	-74.66	424.80	12.82	-61.84
O=C([O-])C1CCCC1C1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300006743013	0	61	0.0	-76.04	436.02	12.41	-63.63
O=C([O-])C1CCCC1C1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300006743036	0	64	0.0	-58.62	420.38	10.37	-48.25
CCC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+](CC)CC	REAL300006743040	0	58	0.0	-67.73	395.95	10.78	-56.95
CC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300006743042	0	59	0.0	-68.27	416.73	12.43	-55.84
CC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300006743042	1	59	0.0	-62.23	426.19	12.57	-49.66
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C=N1	REAL300006743071	0	55	0.0	-85.37	403.13	9.81	-75.56
CCC[NH+](CCC)CCCC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743076	0	64	0.0	-74.05	446.12	12.68	-61.37
CC[N@H+](C)C(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006743077	0	59	0.0	-68.53	419.73	12.56	-55.97
CC[N@@H+](C)C(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006743077	1	59	0.0	-57.77	418.63	12.55	-45.22
C[N@@H+]1CCOC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006743079	1	51	0.0	-62.14	361.48	8.79	-53.35
C[N@H+]1CCOC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006743079	1	51	0.0	-84.96	360.42	8.74	-76.22
CC[NH+](CC)C(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006743081	0	62	0.0	-63.93	419.63	12.87	-51.06
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743090	1	54	0.0	-64.37	389.44	11.18	-53.19
C[NH+](C)C(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300006743095	1	56	0.0	-80.23	421.67	12.45	-67.78
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300006743108	0	60	0.0	-82.78	426.36	12.78	-70.00
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300006743115	0	63	0.0	-80.93	452.65	13.70	-67.23
CCC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[N@@H+]1CCOC(CC)C1	REAL300006743117	1	63	0.0	-69.62	430.28	10.45	-59.17
CCC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[N@H+]1CCOC(CC)C1	REAL300006743117	1	63	0.0	-73.62	425.26	10.49	-63.13
C[NH+](C)CC1(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743119	0	53	0.0	-66.42	371.71	9.99	-56.43
C[NH+](C)CCCCC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743127	0	55	0.0	-76.69	388.97	10.64	-66.05
CC(C)C(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+](C)C	REAL300006743136	0	55	0.0	-77.26	371.01	10.34	-66.92
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300006743146	0	63	0.0	-60.30	436.95	13.29	-47.01
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300006743146	1	63	0.0	-69.26	444.80	13.66	-55.60
CC1=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300006743148	1	54	0.0	-78.17	402.81	10.14	-68.03
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300006743156	0	63	0.0	-83.11	442.79	13.44	-69.67
O=C([O-])C1CCCC1C1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300006743168	1	56	0.0	-84.46	415.47	11.17	-73.29
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C=C1	REAL300006743169	0	59	0.0	-84.87	424.04	12.47	-72.40
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743180	1	52	0.0	-59.68	382.54	9.20	-50.48
CCC[N@H+](C)CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743190	0	52	0.0	-66.30	372.96	10.08	-56.22
CCC[N@@H+](C)CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743190	1	52	0.0	-68.51	362.87	9.85	-58.66
C[N@H+](CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1CCC1	REAL300006743212	0	53	0.0	-62.69	376.74	10.60	-52.09
C[N@@H+](CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1CCC1	REAL300006743212	1	53	0.0	-74.43	379.93	10.66	-63.77
CC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+]1CCSCC1	REAL300006743236	1	54	0.0	-66.77	379.94	10.34	-56.43
C[N@H+](CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)CC(C)(C)C	REAL300006743240	0	58	0.0	-65.83	401.57	11.06	-54.77
C[N@@H+](CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)CC(C)(C)C	REAL300006743240	1	58	0.0	-67.89	393.44	10.98	-56.91
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743242	0	59	0.0	-69.20	429.66	13.05	-56.15
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743242	1	59	0.0	-58.41	422.76	12.88	-45.53
COCCOCC[N@H+](C)CCC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743243	0	63	0.0	-80.67	461.93	9.33	-71.34
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743243	1	63	0.0	-75.15	451.79	9.12	-66.03
CC[C@@H](C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+](C)C	REAL300006743247	0	52	0.0	-73.48	359.13	9.52	-63.96
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006743249	0	57	0.0	-58.32	384.05	8.62	-49.70
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006743249	1	57	0.0	-72.55	381.29	8.71	-63.84
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300006743270	1	62	0.0	-74.42	428.62	11.43	-62.99
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300006743270	1	62	0.0	-58.20	428.53	11.35	-46.85
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300006743271	1	62	0.0	-57.14	439.77	11.89	-45.25
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300006743271	1	62	0.0	-70.15	424.36	11.28	-58.87
CCCCCC[N@H+](C)CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743273	0	61	0.0	-55.52	427.35	12.20	-43.32
CCCCCC[N@@H+](C)CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743273	1	61	0.0	-69.72	427.36	12.20	-57.52
O=C([O-])C1CCCC1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300006743283	0	54	0.0	-72.11	368.46	9.93	-62.18
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300006743291	1	48	0.0	-79.67	351.40	11.60	-68.07
C[N@H+](CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1CCSC1	REAL300006743303	0	54	0.0	-73.23	383.13	10.68	-62.55
C[N@@H+](CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1CCSC1	REAL300006743303	1	54	0.0	-70.11	394.47	10.88	-59.23
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743320	0	64	0.0	-70.98	445.13	9.65	-61.33
CC(C)N1CC[NH+](CCC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743320	1	64	0.0	-80.72	445.65	9.70	-71.02
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743321	0	67	0.0	-71.90	460.45	10.48	-61.42
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743321	1	67	0.0	-75.03	459.89	10.44	-64.59
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300006743322	0	57	0.0	-60.99	386.15	11.08	-49.91
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300006743322	1	57	0.0	-66.63	392.23	11.22	-55.41
C[NH+](C)CCN1C=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C=N1	REAL300006743324	0	56	0.0	-70.15	405.71	9.62	-60.53
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300006743335	0	62	0.0	-66.40	434.05	11.89	-54.51
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300006743335	1	62	0.0	-69.17	435.21	11.90	-57.27
CC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006743340	0	60	0.0	-58.66	424.68	12.88	-45.78
CC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006743340	1	60	0.0	-67.23	418.58	12.76	-54.47
CCC(CC)C(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300006743358	1	66	0.0	-73.18	434.90	10.85	-62.33
CCCC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+](C)C	REAL300006743359	0	55	0.0	-75.18	383.40	10.35	-64.83
O=C([O-])C1CCCC1C1CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006743360	0	63	0.0	-63.88	448.45	13.70	-50.18
O=C([O-])C1CCCC1C1CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006743360	1	63	0.0	-82.42	452.90	13.78	-68.64
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)=N1	REAL300006743375	0	56	0.0	-87.64	405.02	10.23	-77.41
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743376	0	56	0.0	-65.61	406.44	9.84	-55.77
C[C@@H]1[C@H](C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC[N@@H+]1C	REAL300006743379	0	53	0.0	-58.38	359.31	9.45	-48.93
C[C@@H]1[C@H](C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC[N@H+]1C	REAL300006743379	1	53	0.0	-64.78	371.40	10.19	-54.59
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743381	1	57	0.0	-66.27	409.58	11.71	-54.56
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC[N@@H+]1C	REAL300006743384	0	56	0.0	-63.99	381.66	10.10	-53.89
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC[N@H+]1C	REAL300006743384	1	56	0.0	-76.90	384.91	10.33	-66.57
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)=NN1	REAL300006743386	1	57	0.0	-73.53	405.58	9.36	-64.17
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)=NN1	REAL300006743386	1	57	0.0	-71.34	403.26	9.32	-62.02
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743387	0	52	0.0	-58.97	372.91	10.25	-48.72
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743387	1	52	0.0	-75.61	379.85	10.65	-64.96
CC1C[N@H+](C)CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)O1	REAL300006743393	1	54	0.0	-93.09	374.34	9.05	-84.04
CC1C[N@@H+](C)CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)O1	REAL300006743393	1	54	0.0	-92.96	382.58	9.50	-83.46
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300006743400	1	59	0.0	-70.37	421.20	11.21	-59.16
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300006743400	1	59	0.0	-54.39	420.95	11.11	-43.28
O=C([O-])C1CCCC1C1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300006743403	0	50	0.0	-75.84	357.97	9.78	-66.06
CC1=[NH+]C=CN1CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743405	1	48	0.0	-65.92	352.03	10.02	-55.90
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743407	0	57	0.0	-64.40	394.41	9.05	-55.35
CC1CC[NH+](CC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743426	0	56	0.0	-76.96	396.33	11.17	-65.79
CC[N@@H+]1CCOC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006743437	1	54	0.0	-68.13	370.39	9.17	-58.96
CC[N@H+]1CCOC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006743437	1	54	0.0	-84.19	379.22	9.42	-74.77
O=C([O-])C1CCCC1C1CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300006743474	0	63	0.0	-57.05	426.01	12.22	-44.83
O=C([O-])C1CCCC1C1CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300006743474	1	63	0.0	-56.18	425.50	12.23	-43.95
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743480	0	56	0.0	-84.36	401.18	11.22	-73.14
C[N@H+]1CCCC1CCC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743480	1	56	0.0	-68.64	395.72	10.74	-57.90
O=C([O-])C1CCCC1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300006743492	0	57	0.0	-79.08	381.59	10.34	-68.74
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743494	0	54	0.0	-72.26	368.51	5.90	-66.36
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743494	1	54	0.0	-70.48	368.60	5.71	-64.77
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300006743495	0	57	0.0	-50.19	383.76	10.93	-39.26
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300006743495	1	57	0.0	-63.03	387.89	11.22	-51.81
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743502	0	60	0.0	-68.63	399.35	9.38	-59.25
CC[NH+](CC)CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743518	0	52	0.0	-66.56	358.90	9.78	-56.78
CC(C)[NH+]1CCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743520	0	59	0.0	-74.55	395.03	10.81	-63.74
O=C([O-])C1CCCC1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	REAL300006743601	0	51	0.0	-70.80	358.03	8.94	-61.86
CCC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+](C)C	REAL300006743604	0	52	0.0	-74.22	361.90	9.58	-64.64
O=C([O-])C1CCCC1C1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300006743612	0	54	0.0	-60.89	357.78	9.35	-51.54
O=C([O-])C1CCCC1C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300006743612	1	54	0.0	-81.33	366.55	9.50	-71.83
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743656	0	56	0.0	-72.52	391.69	10.74	-61.78
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)=C1	REAL300006743657	0	56	0.0	-81.63	407.35	11.75	-69.88
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006743658	0	63	0.0	-60.11	439.03	13.71	-46.40
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006743658	1	63	0.0	-62.31	448.08	13.60	-48.71
C[NH+](C)C1(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CCC1	REAL300006743694	0	53	0.0	-75.57	356.26	9.53	-66.04
C#CC[NH+]1CCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743721	0	55	0.0	-88.25	402.83	11.43	-76.82
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743723	0	59	0.0	-58.62	406.62	11.41	-47.21
CCC[N@H+]1CCCCC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743723	1	59	0.0	-54.51	407.48	11.50	-43.01
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743724	0	56	0.0	-54.40	405.06	11.77	-42.63
CC[NH+]1CCN(CCC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743726	0	61	0.0	-72.00	432.34	9.37	-62.63
CCN1CC[NH+](CCC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743726	1	61	0.0	-80.71	432.37	9.39	-71.32
CC(C)[N@H+](C)CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743727	0	52	0.0	-64.27	368.15	9.86	-54.41
CC(C)[N@@H+](C)CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743727	1	52	0.0	-63.32	364.94	9.81	-53.51
CC(C)C(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300006743728	0	62	0.0	-48.88	405.24	11.82	-37.06
C[NH+](C)C(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006743729	1	56	0.0	-64.31	391.74	11.67	-52.64
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743737	1	57	0.0	-73.02	419.22	11.87	-61.15
C[NH+](C)CC1=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300006743739	0	59	0.0	-69.42	436.23	12.47	-56.95
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300006743745	0	60	0.0	-59.97	403.57	11.89	-48.08
O=C([O-])C1CCCC1C1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300006743745	1	60	0.0	-75.39	403.88	11.92	-63.47
CC[N@H+](CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1CC1	REAL300006743747	0	53	0.0	-74.66	374.89	10.24	-64.42
CC[N@@H+](CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)C1CC1	REAL300006743747	1	53	0.0	-66.31	366.58	10.20	-56.11
CC(C)C(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300006743773	1	66	0.0	-74.46	448.13	11.27	-63.19
CC(C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+]1CCCCCC1	REAL300006743774	0	59	0.0	-70.84	401.57	11.03	-59.81
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743777	0	50	0.0	-70.44	352.58	9.38	-61.06
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743777	1	50	0.0	-62.31	352.45	9.21	-53.10
CC(C)(C)[NH2+]CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743860	0	52	0.0	-66.84	362.56	8.17	-58.67
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)O1	REAL300006743862	0	59	0.0	-78.07	416.11	11.27	-66.80
O=C([O-])C1CCCC1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300006743863	0	59	0.0	-81.31	423.51	11.92	-69.39
CC1=CC=C(N2CCC(C(=O)N3CCC(C4CCCC4C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300006743865	1	62	0.0	-79.20	447.38	11.67	-67.53
C[N@H+](CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300006743866	1	56	0.0	-72.73	400.30	12.04	-60.69
C[N@@H+](CC(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300006743866	1	56	0.0	-69.07	410.35	12.26	-56.81
CC(C)[C@@H](C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1)[NH+](C)C	REAL300006743876	0	55	0.0	-52.72	363.54	9.97	-42.75
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300006743894	1	51	0.0	-70.23	380.38	9.56	-60.67
C[NH+](C)CC1=CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)=NO1	REAL300006743921	1	52	0.0	-80.33	378.46	9.69	-70.64
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743925	0	63	0.0	-83.30	454.54	13.52	-69.78
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743925	1	63	0.0	-65.57	450.32	13.43	-52.14
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743938	0	56	0.0	-73.67	378.01	10.93	-62.74
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006743938	1	56	0.0	-51.51	370.69	10.65	-40.86
C[NH+]1CCC(OCC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006743961	0	57	0.0	-86.38	413.72	10.84	-75.54
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300006743965	0	60	0.0	-79.04	425.43	11.95	-67.09
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006744146	0	59	0.0	-56.38	410.88	11.43	-44.95
CCC[N@H+]1CCCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006744146	1	59	0.0	-76.21	410.73	11.44	-64.77
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006744176	0	59	0.0	-72.92	398.58	11.59	-61.33
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006744176	1	59	0.0	-71.61	407.74	11.47	-60.14
O=C([O-])C1CCCC1C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300006744177	0	57	0.0	-78.02	407.50	7.85	-70.17
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006744396	0	59	0.0	-69.85	399.40	11.03	-58.82
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006744396	1	59	0.0	-61.12	406.08	11.22	-49.90
C[N@@H+]1CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006744397	0	53	0.0	-77.95	368.14	9.83	-68.12
C[N@H+]1CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006744397	1	53	0.0	-65.70	371.73	9.65	-56.05
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)N1	REAL300006744422	1	54	0.0	-67.03	394.82	9.82	-57.21
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)=C1	REAL300006744897	0	59	0.0	-82.84	429.85	12.59	-70.25
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C=C1	REAL300006744904	0	60	0.0	-81.44	431.36	11.42	-70.02
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006745039	0	53	0.0	-72.65	372.71	10.19	-62.46
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)CC1	REAL300006745043	0	59	0.0	-70.72	402.35	11.13	-59.59
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006745108	0	62	0.0	-57.98	421.34	11.92	-46.06
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006745108	1	62	0.0	-57.98	421.34	11.92	-46.06
CC[N@@H+]1CCCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006745109	0	56	0.0	-70.72	385.61	10.64	-60.08
CC[N@H+]1CCCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006745109	1	56	0.0	-70.72	385.61	10.64	-60.08
C[N@@H+]1CCCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006745114	0	53	0.0	-66.98	372.12	10.04	-56.94
C[N@H+]1CCCC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006745114	1	53	0.0	-66.98	372.12	10.04	-56.94
CN(C)CC1=CC=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)O1	REAL300006745116	0	53	0.0	-80.09	383.83	10.07	-70.02
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)O1	REAL300006745116	1	53	0.0	-80.09	383.83	10.07	-70.02
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006745122	0	62	0.0	-64.32	404.27	11.03	-53.29
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C1	REAL300006745122	1	62	0.0	-64.32	404.27	11.03	-53.29
O=C([O-])C1CCCC1C1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300006745125	0	55	0.0	-73.98	382.65	11.42	-62.56
O=C([O-])CC1CCC2CN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CCC2C1	REAL300006746068	0	63	0.0	-83.07	453.18	13.78	-69.29
O=C([O-])CC1CCC2CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CCC2C1	REAL300006746618	0	60	0.0	-73.60	426.83	12.87	-60.73
O=C([O-])CC1CCC2CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CCC2C1	REAL300006746618	1	60	0.0	-71.56	428.55	12.69	-58.87
O=C([O-])CC1CCC2CN(C(=O)C3CC[NH+](C4CC4)CC3)CCC2C1	REAL300006747434	0	57	0.0	-71.20	400.93	11.40	-59.80
O=C([O-])CC1CCC2CN(C(=O)C3CCC[N@@H+]3C3CC3)CCC2C1	REAL300006747459	0	54	0.0	-68.95	386.10	10.91	-58.04
O=C([O-])CC1CCC2CN(C(=O)C3CCC[N@H+]3C3CC3)CCC2C1	REAL300006747459	1	54	0.0	-68.91	381.13	10.77	-58.14
CC1=[NH+]C=C2CCC(C(=O)N3CCC4CC(CC(=O)[O-])CCC4C3)CN12	REAL300006747465	1	55	0.0	-69.56	400.09	11.25	-58.31
O=C([O-])CC1CCC2CN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CCC2C1	REAL300006747466	0	63	0.0	-72.01	450.70	13.49	-58.52
C[N@@H+]1CCCCC1C(=O)N1CCC2CC(CC(=O)[O-])CCC2C1	REAL300006747544	0	53	0.0	-72.82	357.76	9.59	-63.23
C[N@H+]1CCCCC1C(=O)N1CCC2CC(CC(=O)[O-])CCC2C1	REAL300006747544	1	53	0.0	-70.24	365.68	9.97	-60.27
CC(C(=O)N1CCC2CC(CC(=O)[O-])CCC2C1)N1CC[NH+](C)CC1	REAL300006747545	1	58	0.0	-74.05	402.16	8.28	-65.77
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2CC(CC(=O)[O-])CCC2C1	REAL300006747585	0	53	0.0	-70.20	365.46	9.95	-60.25
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2CC(CC(=O)[O-])CCC2C1	REAL300006747585	1	53	0.0	-72.80	357.69	9.58	-63.22
C[NH+]1CCC(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)CC1	REAL300006747668	0	53	0.0	-79.31	376.60	10.20	-69.11
O=C([O-])CC1CCC2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CCC2C1	REAL300006747698	0	48	0.0	-75.06	363.98	11.89	-63.17
C[NH+](C)CC1(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)CCCCC1	REAL300006747732	0	62	0.0	-78.34	407.20	12.04	-66.30
C[N@H+](CCC(=O)N1CCC2CC(CC(=O)[O-])CCC2C1)C1CCCCC1	REAL300006747737	0	62	0.0	-77.38	430.51	12.24	-65.14
C[N@@H+](CCC(=O)N1CCC2CC(CC(=O)[O-])CCC2C1)C1CCCCC1	REAL300006747737	1	62	0.0	-77.30	430.53	12.27	-65.03
C[N@@H+]1CCCC1C(=O)N1CCC2CC(CC(=O)[O-])CCC2C1	REAL300006747753	0	50	0.0	-70.86	353.64	9.39	-61.47
C[N@H+]1CCCC1C(=O)N1CCC2CC(CC(=O)[O-])CCC2C1	REAL300006747753	1	50	0.0	-71.20	346.90	9.17	-62.03
C[NH+]1CCC(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)CC1	REAL300006747808	0	53	0.0	-79.31	376.60	10.20	-69.11
O=C([O-])CC1CCC2CN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CCC2C1	REAL300006747812	0	56	0.0	-78.00	414.85	10.71	-67.29
O=C([O-])CC1CCC2CN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CCC2C1	REAL300006747831	0	63	0.0	-68.63	414.84	11.87	-56.76
O=C([O-])CC1CCC2CN(C(=O)C3CCCC[N@H+]3C3CCCC3)CCC2C1	REAL300006747831	1	63	0.0	-69.39	424.55	12.33	-57.06
O=C([O-])CC1CCC2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CCC2C1	REAL300006747832	0	64	0.0	-81.15	443.61	10.79	-70.36
CC1=[NH+]C=CN1CCCC(=O)N1CCC2CC(CC(=O)[O-])CCC2C1	REAL300006747867	1	54	0.0	-72.52	403.09	11.56	-60.96
O=C([O-])CC1CCC2CN(C(=O)CCCC[NH+]3CCOCC3)CCC2C1	REAL300006747868	1	60	0.0	-79.40	430.37	10.24	-69.16
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2CC(CC(=O)[O-])CCC2C1	REAL300006747873	0	50	0.0	-73.11	343.52	8.92	-64.19
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CC(CC(=O)[O-])CCC2C1	REAL300006747873	1	50	0.0	-71.17	347.01	9.20	-61.97
C[NH+](C)C1(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)CC1	REAL300006747882	0	50	0.0	-76.20	355.30	9.41	-66.79
O=C([O-])CC1CCC2CN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CCC2C1	REAL300006747925	0	60	0.0	-77.00	433.83	12.95	-64.05
O=C([O-])CC1CCC2CN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CCC2C1	REAL300006747925	1	60	0.0	-77.31	425.55	12.65	-64.66
O=C([O-])CC1CCC2CN(C(=O)C3CC[NH+](C4CCSC4)CC3)CCC2C1	REAL300006747926	0	61	0.0	-84.98	435.46	12.43	-72.55
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C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300006765473	1	54	0.0	-71.56	415.42	11.67	-59.89
CC1(C(=O)N2CCOC(C)(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006765474	0	54	0.0	-59.50	381.08	9.86	-49.64
C[NH+](C)CC1(C(=O)N2CCOC(C)(C(=O)[O-])C2)CCCCC1	REAL300006765557	0	50	0.0	-75.74	335.12	8.30	-67.44
C[N@H+](CCC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300006765560	0	50	0.0	-78.70	358.92	8.55	-70.15
C[N@@H+](CCC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300006765560	1	50	0.0	-78.73	358.94	8.53	-70.20
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300006765584	1	51	0.0	-74.95	372.86	9.57	-65.38
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300006765584	1	51	0.0	-73.69	383.62	10.08	-63.61
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300006765585	1	48	0.0	-77.72	368.53	9.45	-68.27
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300006765585	1	48	0.0	-77.71	368.37	9.46	-68.25
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCO1	REAL300006765639	0	44	0.0	-80.90	348.79	7.14	-73.76
C[NH+](C)CCN1N=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300006765644	0	54	0.0	-81.10	416.01	9.46	-71.64
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CCO1	REAL300006765670	0	51	0.0	-66.25	355.23	8.61	-57.64
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CCO1	REAL300006765670	1	51	0.0	-66.22	355.75	8.64	-57.58
CC1(C(=O)[O-])CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CCO1	REAL300006765671	0	52	0.0	-64.15	371.88	7.06	-57.09
CC1(C(=O)[O-])CN(C(=O)CCCC[NH+]2CCOCC2)CCO1	REAL300006765699	1	48	0.0	-81.95	358.76	6.51	-75.44
CC[N@H+](CC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300006765701	0	53	0.0	-83.78	377.98	9.30	-74.48
CC[N@@H+](CC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300006765701	1	53	0.0	-85.28	380.69	9.62	-75.66
CC1(C(=O)[O-])CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300006765725	0	48	0.0	-78.10	361.84	9.22	-68.88
CC1(C(=O)[O-])CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300006765725	1	48	0.0	-78.43	361.72	9.25	-69.18
CC1(C(=O)[O-])CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CCO1	REAL300006765726	0	49	0.0	-66.23	363.81	8.69	-57.54
C[NH+]1CCN(C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300006765749	1	53	0.0	-66.51	382.95	7.01	-59.50
CC1(C(=O)[O-])CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCO1	REAL300006765750	0	52	0.0	-77.97	357.20	6.80	-71.17
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300006765753	0	47	0.0	-73.65	352.57	8.81	-64.84
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006765753	1	47	0.0	-72.99	353.24	8.82	-64.17
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300006765763	0	54	0.0	-75.38	395.45	10.99	-64.39
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300006765763	1	54	0.0	-59.63	394.52	10.89	-48.74
C[NH+](C)CC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300006765794	0	43	0.0	-82.04	333.42	6.48	-75.56
CCC[NH+](CCC)CCCC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006765805	0	52	0.0	-78.15	383.05	9.15	-69.00
CC1(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CCO1	REAL300006765806	1	52	0.0	-69.91	384.43	6.63	-63.28
CC[N@H+](C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006765807	0	47	0.0	-67.09	348.40	8.79	-58.30
CC[N@@H+](C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006765807	1	47	0.0	-67.76	348.56	8.80	-58.96
CC[NH+](CC)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006765812	0	50	0.0	-68.53	356.14	9.23	-59.30
C[NH+](C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300006765818	1	44	0.0	-71.00	348.53	8.63	-62.37
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCO1	REAL300006765832	0	48	0.0	-85.22	362.67	9.14	-76.08
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCO1	REAL300006765839	0	51	0.0	-66.84	380.28	9.93	-56.91
CCN1CCC([NH+]2CCC(C(=O)N3CCOC(C)(C(=O)[O-])C3)CC2)CC1	REAL300006765845	0	59	0.0	-61.11	414.84	7.75	-53.36
CC1C[NH+](CC2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300006765852	1	55	0.0	-89.02	413.64	8.95	-80.07
CC1(C(=O)[O-])CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300006765861	1	52	0.0	-86.13	394.77	9.46	-76.67
CC1(C(=O)[O-])CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300006765861	1	52	0.0	-89.25	388.09	9.41	-79.84
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300006765875	0	51	0.0	-70.69	366.39	9.50	-61.19
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300006765875	1	51	0.0	-71.01	369.74	9.69	-61.32
CC1=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300006765877	1	42	0.0	-82.35	336.69	6.50	-75.85
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCO1	REAL300006765885	0	51	0.0	-84.48	380.30	9.92	-74.56
CC1(C(=O)[O-])CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCO1	REAL300006765897	1	44	0.0	-81.36	341.91	7.35	-74.01
C[NH+](C)CCC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300006765898	0	47	0.0	-85.99	361.23	8.90	-77.09
CC1(C(=O)[O-])CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300006765906	1	49	0.0	-85.37	370.89	8.73	-76.64
CC1(C(=O)[O-])CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300006765906	1	49	0.0	-57.16	363.48	8.54	-48.62
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006765912	0	58	0.0	-70.16	426.47	10.54	-59.62
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006765912	1	58	0.0	-66.60	420.39	10.29	-56.31
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006765920	0	57	0.0	-71.79	416.82	11.30	-60.49
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300006765952	1	42	0.0	-72.88	317.83	6.84	-66.04
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006765959	0	47	0.0	-77.74	359.65	9.32	-68.42
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006765959	1	47	0.0	-77.79	359.66	9.31	-68.48
COCCOCC[N@H+](C)CCC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006765960	0	51	0.0	-78.07	388.65	5.55	-72.52
COCCOCC[N@@H+](C)CCC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006765960	1	51	0.0	-79.54	388.71	5.58	-73.96
C[N@@H+]1CCCC(O)(CC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300006765963	0	45	0.0	-76.29	327.91	5.35	-70.94
C[N@H+]1CCCC(O)(CC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300006765963	1	45	0.0	-77.06	318.22	5.19	-71.87
CC1(C(=O)[O-])CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCO1	REAL300006765971	0	56	0.0	-83.53	414.82	9.08	-74.45
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CCO1	REAL300006765972	1	50	0.0	-75.06	361.33	7.76	-67.30
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CCO1	REAL300006765972	1	50	0.0	-73.85	372.10	8.24	-65.61
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CCO1	REAL300006765973	1	50	0.0	-75.72	361.22	7.63	-68.09
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CCO1	REAL300006765973	1	50	0.0	-72.63	361.26	7.73	-64.90
CCCCCC[N@H+](C)CC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006765974	0	49	0.0	-75.66	364.25	8.63	-67.03
CCCCCC[N@@H+](C)CC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006765974	1	49	0.0	-75.63	364.24	8.63	-67.00
C[N@H+](CC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCSC1	REAL300006765998	0	42	0.0	-78.95	320.00	7.12	-71.83
C[N@@H+](CC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCSC1	REAL300006765998	1	42	0.0	-77.94	319.80	7.14	-70.80
CC(C)[NH+]1CCN(CCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300006766009	0	52	0.0	-76.99	375.87	6.12	-70.87
CC(C)N1CC[NH+](CCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300006766009	1	52	0.0	-78.40	372.38	5.92	-72.48
CC(C)[NH+]1CCN(CCCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300006766010	0	55	0.0	-75.11	397.35	6.92	-68.19
CC(C)N1CC[NH+](CCCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300006766010	1	55	0.0	-79.08	394.18	6.75	-72.33
C[NH+](C)CCN1C=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300006766012	0	44	0.0	-83.18	341.53	6.04	-77.14
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCOC(C)(C(=O)[O-])C3)CC2)=C1	REAL300006766017	0	56	0.0	-82.81	414.73	8.95	-73.86
CC1(C(=O)[O-])CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCO1	REAL300006766019	0	53	0.0	-82.62	393.32	8.29	-74.33
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCO1	REAL300006766023	0	50	0.0	-85.97	375.91	8.22	-77.75
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCO1	REAL300006766023	1	50	0.0	-80.58	366.86	8.02	-72.56
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006766028	1	48	0.0	-74.20	354.94	9.21	-64.99
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006766028	1	48	0.0	-72.36	356.64	9.15	-63.21
CC1(C(=O)[O-])CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300006766056	0	51	0.0	-83.07	385.49	10.16	-72.91
CC1(C(=O)[O-])CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300006766056	1	51	0.0	-83.06	385.97	10.17	-72.89
C[NH+](C)CCN1C=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300006766068	0	44	0.0	-89.23	342.00	6.70	-82.53
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006766069	0	44	0.0	-66.71	337.53	6.12	-60.59
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006766074	1	45	0.0	-70.52	346.48	8.15	-62.37
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=NN1	REAL300006766077	1	45	0.0	-83.04	343.39	6.27	-76.77
C[N@H+]1CCCC1C1=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=NN1	REAL300006766077	1	45	0.0	-83.35	343.74	6.25	-77.10
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCO1	REAL300006766088	0	51	0.0	-65.57	387.56	10.06	-55.51
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCO1	REAL300006766088	1	51	0.0	-79.91	378.38	9.94	-69.97
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CCO1	REAL300006766089	1	47	0.0	-69.85	353.30	7.37	-62.48
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CCO1	REAL300006766089	1	47	0.0	-76.18	354.98	7.41	-68.77
CC(C[NH+]1CCOCC1)C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006766093	0	45	0.0	-78.13	329.28	5.36	-72.77
CC1(C(=O)[O-])CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCO1	REAL300006766094	0	52	0.0	-82.69	391.05	7.70	-74.99
CC1(C(=O)[O-])CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CCO1	REAL300006766141	0	51	0.0	-77.16	362.54	8.67	-68.49
CC1(C(=O)[O-])CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CCO1	REAL300006766141	1	51	0.0	-77.78	362.40	8.62	-69.16
CC1(C(=O)[O-])CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CCO1	REAL300006766161	0	56	0.0	-85.13	404.66	8.66	-76.47
CC1(C(=O)[O-])CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CCO1	REAL300006766161	1	56	0.0	-79.13	409.27	8.78	-70.35
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006766168	0	48	0.0	-76.50	331.69	5.46	-71.04
CC(C)[N@@H+]1CCC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006766171	0	57	0.0	-78.04	404.72	8.52	-69.52
CC(C)[N@H+]1CCC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006766171	1	57	0.0	-63.85	419.67	8.78	-55.07
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300006766172	0	51	0.0	-81.20	370.47	7.35	-73.85
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300006766172	1	51	0.0	-82.08	364.96	7.10	-74.98
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCOC(C)(C(=O)[O-])C3)=C2)CC1	REAL300006766178	0	53	0.0	-74.83	396.46	7.47	-67.36
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300006766179	0	53	0.0	-80.71	396.48	7.30	-73.41
CN1CC[NH+](CC2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300006766179	1	53	0.0	-86.81	396.81	7.37	-79.44
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300006766180	0	54	0.0	-81.61	399.28	8.89	-72.72
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCO1	REAL300006766282	0	55	0.0	-86.92	411.98	7.23	-79.69
C[NH+](C)CC1=CC=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300006766286	0	44	0.0	-80.43	336.83	8.01	-72.42
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300006766287	0	51	0.0	-76.39	381.09	9.98	-66.41
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300006766287	1	51	0.0	-76.42	381.07	10.00	-66.42
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006766343	0	44	0.0	-63.71	335.45	8.08	-55.63
CC[NH+]1CCN(CCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300006766345	0	49	0.0	-78.47	359.13	5.61	-72.86
CCN1CC[NH+](CCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300006766345	1	49	0.0	-78.41	359.13	5.60	-72.81
CC(C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300006766348	0	50	0.0	-69.77	344.76	8.31	-61.46
C[NH+](C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006766349	1	44	0.0	-67.62	331.73	8.12	-59.50
CC1(C(=O)[O-])CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300006766353	0	49	0.0	-75.39	371.11	6.22	-69.17
CC1(C(=O)[O-])CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300006766353	1	49	0.0	-58.36	361.44	6.04	-52.32
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006766358	1	45	0.0	-69.77	345.91	8.09	-61.68
C[NH+](C)CC1=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300006766359	0	47	0.0	-63.69	363.12	8.82	-54.87
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CCO1	REAL300006766363	0	48	0.0	-71.88	335.54	8.29	-63.59
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2C2CCCC2)CCO1	REAL300006766363	1	48	0.0	-52.43	343.96	8.14	-44.29
CC(C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006766387	1	54	0.0	-69.17	373.62	7.18	-61.99
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300006766414	1	49	0.0	-85.97	373.10	8.46	-77.51
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300006766414	1	49	0.0	-86.93	373.08	8.46	-78.47
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)O1	REAL300006766467	0	47	0.0	-80.64	356.71	8.02	-72.62
CC1=CC=C(N2CCC(C(=O)N3CCOC(C)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300006766468	1	50	0.0	-58.02	373.29	7.83	-50.19
C[N@H+](CC(=O)N1CCOC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006766469	1	44	0.0	-78.75	337.18	8.48	-70.27
C[N@@H+](CC(=O)N1CCOC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006766469	1	44	0.0	-78.70	337.18	8.48	-70.22
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300006766472	0	56	0.0	-83.90	404.47	8.38	-75.52
CC1(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCO1	REAL300006766483	1	39	0.0	-81.38	317.55	6.03	-75.35
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006766517	0	51	0.0	-78.07	380.30	10.17	-67.90
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006766517	1	51	0.0	-78.15	376.36	9.76	-68.39
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300006766535	0	52	0.0	-71.09	401.89	9.38	-61.71
C[NH+]1CCC(OCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300006766550	0	45	0.0	-83.56	340.44	7.06	-76.50
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCO1	REAL300006766554	0	48	0.0	-82.40	362.30	8.43	-73.97
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCOC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006766585	0	50	0.0	-58.05	373.50	8.07	-49.98
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCOC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006766585	1	50	0.0	-72.55	369.54	7.85	-64.70
CC1(C(=O)[O-])CN(C(=O)C[NH+]2CCC(CO)CC2)CCO1	REAL300006766745	0	45	0.0	-75.41	334.15	4.06	-71.35
CC1(C(=O)[O-])CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CCO1	REAL300006766830	0	52	0.0	-59.15	380.00	9.99	-49.16
CC1(C(=O)[O-])CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CCO1	REAL300006766830	1	52	0.0	-84.97	387.10	10.09	-74.88
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCO1	REAL300006766862	1	51	0.0	-69.90	383.15	10.04	-59.86
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CCO1	REAL300006766862	1	51	0.0	-69.22	383.13	10.03	-59.19
C[N@@H+]1CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006766945	0	41	0.0	-80.42	319.56	6.41	-74.01
C[N@H+]1CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006766945	1	41	0.0	-87.99	305.34	6.23	-81.76
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300006767378	0	47	0.0	-80.17	359.36	8.86	-71.31
C[NH+](C)CCOC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300006767384	0	48	0.0	-83.43	367.87	7.82	-75.61
CC1(C(=O)[O-])CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300006767463	0	54	0.0	-79.11	400.21	10.88	-68.23
CC1C[N@H+](CC2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300006767465	1	52	0.0	-87.23	392.92	8.30	-78.93
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300006767465	1	52	0.0	-88.89	390.74	8.22	-80.67
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300006767549	0	50	0.0	-58.49	361.22	8.50	-49.99
CC(C)C[N@H+]1CCCC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300006767549	1	50	0.0	-58.49	361.22	8.50	-49.99
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300006767557	0	50	0.0	-81.92	335.33	7.07	-74.85
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300006767557	1	50	0.0	-81.92	335.33	7.07	-74.85
CCN1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767563	0	45	0.0	-72.08	332.92	7.07	-65.01
CC[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767563	1	45	0.0	-75.48	329.59	6.81	-68.67
CC[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767563	1	45	0.0	-75.48	329.59	6.81	-68.67
CCN1CCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC12CCOC2	REAL300006767564	0	49	0.0	-78.39	363.88	7.38	-71.01
CC[N@@H+]1CCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC12CCOC2	REAL300006767564	1	49	0.0	-84.13	356.90	6.94	-77.19
CC[N@H+]1CCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC12CCOC2	REAL300006767564	1	49	0.0	-84.13	356.90	6.94	-77.19
CCN1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767565	0	45	0.0	-62.42	328.65	6.78	-55.64
CC[N@@H+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767565	1	45	0.0	-86.08	330.66	6.82	-79.26
CC[N@H+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767565	1	45	0.0	-86.08	330.66	6.82	-79.26
CCN1CCN(C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC12CCOC2	REAL300006767568	0	52	0.0	-75.62	388.26	8.82	-66.80
CC[N@@H+]1CCN(C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC12CCOC2	REAL300006767568	1	52	0.0	-78.41	383.73	8.44	-69.97
CC[N@H+]1CCN(C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC12CCOC2	REAL300006767568	1	52	0.0	-78.41	383.73	8.44	-69.97
CCOC1=CC(C(=O)N2CCN(CC)C3(CCOC3)C2)=CC=C1OCC(=O)[O-]	REAL300006767569	0	56	0.0	-81.54	412.20	7.78	-73.76
CCOC1=CC(C(=O)N2CC[N@H+](CC)C3(CCOC3)C2)=CC=C1OCC(=O)[O-]	REAL300006767569	1	56	0.0	-79.07	414.74	8.04	-71.03
CCOC1=CC(C(=O)N2CC[N@@H+](CC)C3(CCOC3)C2)=CC=C1OCC(=O)[O-]	REAL300006767569	1	56	0.0	-79.07	414.74	8.04	-71.03
CCN1CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767570	0	51	0.0	-78.71	378.68	8.93	-69.78
CC[N@@H+]1CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767570	1	51	0.0	-82.46	378.64	8.91	-73.55
CC[N@H+]1CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767570	1	51	0.0	-82.46	378.64	8.91	-73.55
CCN1CCN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767571	0	44	0.0	-85.21	327.58	5.28	-79.93
CC[N@@H+]1CCN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767571	1	44	0.0	-89.45	325.32	5.05	-84.40
CC[N@H+]1CCN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767571	1	44	0.0	-89.45	325.32	5.05	-84.40
CCN1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767572	0	49	0.0	-80.78	365.85	8.60	-72.18
CC[N@@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767572	1	49	0.0	-79.91	365.59	8.39	-71.52
CC[N@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767572	1	49	0.0	-79.91	365.59	8.39	-71.52
CCN1CCN(C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)CC12CCOC2	REAL300006767575	0	55	0.0	-81.59	405.63	8.57	-73.02
CC[N@@H+]1CCN(C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)CC12CCOC2	REAL300006767575	1	55	0.0	-82.02	402.01	8.23	-73.79
CC[N@H+]1CCN(C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)CC12CCOC2	REAL300006767575	1	55	0.0	-82.02	402.01	8.23	-73.79
CCN1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC12CCOC2	REAL300006767578	0	51	0.0	-72.15	369.65	8.59	-63.56
CC[N@@H+]1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC12CCOC2	REAL300006767578	1	51	0.0	-69.08	369.08	8.45	-60.63
CC[N@H+]1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC12CCOC2	REAL300006767578	1	51	0.0	-69.08	369.08	8.45	-60.63
CCN1CCN(C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)CC12CCOC2	REAL300006767579	0	55	0.0	-75.13	405.52	8.96	-66.17
CC[N@@H+]1CCN(C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)CC12CCOC2	REAL300006767579	1	55	0.0	-76.09	407.00	8.90	-67.19
CC[N@H+]1CCN(C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)CC12CCOC2	REAL300006767579	1	55	0.0	-76.09	407.00	8.90	-67.19
CCN1CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767580	0	48	0.0	-89.93	357.18	8.04	-81.89
CC[N@@H+]1CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767580	1	48	0.0	-87.23	356.69	7.90	-79.33
CC[N@H+]1CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767580	1	48	0.0	-87.23	356.69	7.90	-79.33
CCN1CCN(C(=O)C2CCCC(C(=O)[O-])C2)CC12CCOC2	REAL300006767581	0	51	0.0	-79.96	356.95	7.51	-72.45
CC[N@@H+]1CCN(C(=O)C2CCCC(C(=O)[O-])C2)CC12CCOC2	REAL300006767581	1	51	0.0	-86.14	353.02	7.13	-79.01
CC[N@H+]1CCN(C(=O)C2CCCC(C(=O)[O-])C2)CC12CCOC2	REAL300006767581	1	51	0.0	-86.14	353.02	7.13	-79.01
CCN1CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC12CCOC2	REAL300006767582	0	44	0.0	-72.24	328.53	5.22	-67.02
CC[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC12CCOC2	REAL300006767582	1	44	0.0	-80.46	322.15	4.89	-75.57
CC[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC12CCOC2	REAL300006767582	1	44	0.0	-80.46	322.15	4.89	-75.57
CCN1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC12CCOC2	REAL300006767584	0	50	0.0	-77.54	338.39	6.59	-70.95
CC[N@@H+]1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC12CCOC2	REAL300006767584	1	50	0.0	-76.20	337.54	6.49	-69.71
CC[N@H+]1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC12CCOC2	REAL300006767584	1	50	0.0	-76.20	337.54	6.49	-69.71
CCN1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC12CCOC2	REAL300006767587	0	51	0.0	-71.84	355.86	7.42	-64.42
CC[N@@H+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC12CCOC2	REAL300006767587	1	51	0.0	-74.65	355.94	7.41	-67.24
CC[N@H+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC12CCOC2	REAL300006767587	1	51	0.0	-74.65	355.94	7.41	-67.24
CCN1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC12CCOC2	REAL300006767588	0	51	0.0	-79.30	343.97	6.92	-72.38
CC[N@@H+]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC12CCOC2	REAL300006767588	1	51	0.0	-75.53	358.33	7.34	-68.19
CC[N@H+]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC12CCOC2	REAL300006767588	1	51	0.0	-75.53	358.33	7.34	-68.19
CCN1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767589	0	48	0.0	-92.44	357.19	8.05	-84.39
CC[N@@H+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767589	1	48	0.0	-90.64	356.68	7.90	-82.74
CC[N@H+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767589	1	48	0.0	-90.64	356.68	7.90	-82.74
CCN1CCN(C(=O)CN2C=C(C(=O)[O-])N=N2)CC12CCOC2	REAL300006767590	0	44	0.0	-94.00	331.05	3.76	-90.24
CC[N@@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])N=N2)CC12CCOC2	REAL300006767590	1	44	0.0	-92.59	330.11	3.68	-88.91
CC[N@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])N=N2)CC12CCOC2	REAL300006767590	1	44	0.0	-92.59	330.11	3.68	-88.91
CCN1CCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767592	0	45	0.0	-57.41	353.18	7.66	-49.75
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CC[N@@H+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC12CCOC2	REAL300006767602	1	52	0.0	-87.61	358.35	7.29	-80.32
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CC[N@@H+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCOC2	REAL300006767603	1	55	0.0	-76.89	365.91	7.62	-69.27
CC[N@H+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCOC2	REAL300006767603	1	55	0.0	-76.89	365.91	7.62	-69.27
CCN1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC12CCOC2	REAL300006767604	0	50	0.0	-77.54	338.39	6.59	-70.95
CC[N@@H+]1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC12CCOC2	REAL300006767604	1	50	0.0	-76.20	337.54	6.49	-69.71
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CC[N@@H+]1CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC12CCOC2	REAL300006767609	1	58	0.0	-70.02	410.70	10.16	-59.86
CC[N@H+]1CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC12CCOC2	REAL300006767609	1	58	0.0	-70.02	410.70	10.16	-59.86
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CC[N@@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])C=N2)CC12CCOC2	REAL300006767612	1	45	0.0	-87.96	335.01	5.17	-82.79
CC[N@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])C=N2)CC12CCOC2	REAL300006767612	1	45	0.0	-87.96	335.01	5.17	-82.79
CCN1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCOC2	REAL300006767614	0	52	0.0	-56.94	352.43	7.40	-49.54
CC[N@@H+]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCOC2	REAL300006767614	1	52	0.0	-58.33	349.09	7.04	-51.29
CC[N@H+]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCOC2	REAL300006767614	1	52	0.0	-58.33	349.09	7.04	-51.29
CCN1CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC12CCOC2	REAL300006767615	0	49	0.0	-72.71	363.93	7.36	-65.35
CC[N@@H+]1CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC12CCOC2	REAL300006767615	1	49	0.0	-75.23	358.02	6.95	-68.28
CC[N@H+]1CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC12CCOC2	REAL300006767615	1	49	0.0	-75.23	358.02	6.95	-68.28
CCN1CCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCOC2	REAL300006767616	0	54	0.0	-87.38	396.52	7.64	-79.74
CC[N@@H+]1CCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCOC2	REAL300006767616	1	54	0.0	-88.13	399.16	7.69	-80.44
CC[N@H+]1CCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCOC2	REAL300006767616	1	54	0.0	-88.13	399.16	7.69	-80.44
CCN1CCN(C(=O)CCSCC(=O)[O-])CC12CCOC2	REAL300006767617	0	45	0.0	-74.82	339.07	6.35	-68.47
CC[N@@H+]1CCN(C(=O)CCSCC(=O)[O-])CC12CCOC2	REAL300006767617	1	45	0.0	-73.56	338.22	6.26	-67.30
CC[N@H+]1CCN(C(=O)CCSCC(=O)[O-])CC12CCOC2	REAL300006767617	1	45	0.0	-73.56	338.22	6.26	-67.30
CCN1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC12CCOC2	REAL300006767620	0	49	0.0	-84.84	347.78	6.48	-78.36
CC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC12CCOC2	REAL300006767620	1	49	0.0	-84.19	351.32	6.79	-77.40
CC[N@H+]1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC12CCOC2	REAL300006767620	1	49	0.0	-84.19	351.32	6.79	-77.40
CCN1CCN(C(=O)C(C)(C)CCC(=O)[O-])CC12CCOC2	REAL300006767621	0	50	0.0	-85.04	338.33	6.13	-78.91
CC[N@@H+]1CCN(C(=O)C(C)(C)CCC(=O)[O-])CC12CCOC2	REAL300006767621	1	50	0.0	-83.29	341.11	6.18	-77.11
CC[N@H+]1CCN(C(=O)C(C)(C)CCC(=O)[O-])CC12CCOC2	REAL300006767621	1	50	0.0	-83.29	341.11	6.18	-77.11
CCN1CCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CC12CCOC2	REAL300006767622	0	48	0.0	-64.71	355.07	7.86	-56.85
CC[N@@H+]1CCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CC12CCOC2	REAL300006767622	1	48	0.0	-69.76	351.76	7.59	-62.17
CC[N@H+]1CCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CC12CCOC2	REAL300006767622	1	48	0.0	-69.76	351.76	7.59	-62.17
CCN1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC12CCOC2	REAL300006767623	0	49	0.0	-75.06	365.02	8.37	-66.69
CC[N@@H+]1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC12CCOC2	REAL300006767623	1	49	0.0	-80.22	359.67	7.98	-72.24
CC[N@H+]1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC12CCOC2	REAL300006767623	1	49	0.0	-80.22	359.67	7.98	-72.24
CCN1CCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC12CCOC2	REAL300006767624	0	46	0.0	-74.63	350.59	6.86	-67.77
CC[N@@H+]1CCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC12CCOC2	REAL300006767624	1	46	0.0	-76.08	346.29	6.50	-69.58
CC[N@H+]1CCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC12CCOC2	REAL300006767624	1	46	0.0	-76.08	346.29	6.50	-69.58
CCN1CCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CC12CCOC2	REAL300006767625	0	51	0.0	-74.18	368.52	8.47	-65.71
CC[N@@H+]1CCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CC12CCOC2	REAL300006767625	1	51	0.0	-80.80	365.90	8.21	-72.59
CC[N@H+]1CCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CC12CCOC2	REAL300006767625	1	51	0.0	-80.80	365.90	8.21	-72.59
CCN1CCN(C(=O)COCC2=C(C(=O)[O-])N=CO2)CC12CCOC2	REAL300006767626	0	48	0.0	-88.29	362.10	2.90	-85.39
CC[N@@H+]1CCN(C(=O)COCC2=C(C(=O)[O-])N=CO2)CC12CCOC2	REAL300006767626	1	48	0.0	-82.92	363.37	3.27	-79.65
CC[N@H+]1CCN(C(=O)COCC2=C(C(=O)[O-])N=CO2)CC12CCOC2	REAL300006767626	1	48	0.0	-82.92	363.37	3.27	-79.65
CCN1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC12CCOC2	REAL300006767627	0	46	0.0	-69.02	352.14	7.20	-61.82
CC[N@@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC12CCOC2	REAL300006767627	1	46	0.0	-72.80	352.13	7.12	-65.68
CC[N@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC12CCOC2	REAL300006767627	1	46	0.0	-72.80	352.13	7.12	-65.68
CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOC2	REAL300006767628	0	48	0.0	-81.09	337.04	6.83	-74.26
CC[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOC2	REAL300006767628	1	48	0.0	-86.39	337.83	6.66	-79.73
CC[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOC2	REAL300006767628	1	48	0.0	-86.39	337.83	6.66	-79.73
CCN1CCN(C(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC12CCOC2	REAL300006767629	0	48	0.0	-91.09	345.59	7.54	-83.55
CC[N@@H+]1CCN(C(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC12CCOC2	REAL300006767629	1	48	0.0	-85.51	347.20	7.39	-78.12
CC[N@H+]1CCN(C(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC12CCOC2	REAL300006767629	1	48	0.0	-85.51	347.20	7.39	-78.12
CCN1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767630	0	44	0.0	-73.30	327.62	5.21	-68.09
CC[N@@H+]1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767630	1	44	0.0	-60.39	325.21	5.03	-55.36
CC[N@H+]1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767630	1	44	0.0	-60.39	325.21	5.03	-55.36
CCN1CCN(C(=O)C2=CC(C(=O)[O-])=CN=C2C)CC12CCOC2	REAL300006767631	0	47	0.0	-59.83	346.56	5.89	-53.94
CC[N@@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=CN=C2C)CC12CCOC2	REAL300006767631	1	47	0.0	-59.25	345.59	5.96	-53.29
CC[N@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=CN=C2C)CC12CCOC2	REAL300006767631	1	47	0.0	-59.25	345.59	5.96	-53.29
CCN1CCN(C(=O)CN2C=CC(C(=O)[O-])=N2)CC12CCOC2	REAL300006767632	0	45	0.0	-96.41	336.24	5.60	-90.81
CC[N@@H+]1CCN(C(=O)CN2C=CC(C(=O)[O-])=N2)CC12CCOC2	REAL300006767632	1	45	0.0	-99.88	338.10	5.35	-94.53
CC[N@H+]1CCN(C(=O)CN2C=CC(C(=O)[O-])=N2)CC12CCOC2	REAL300006767632	1	45	0.0	-99.88	338.10	5.35	-94.53
CCN1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC12CCOC2	REAL300006767633	0	51	0.0	-100.62	378.93	6.70	-93.92
CC[N@@H+]1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC12CCOC2	REAL300006767633	1	51	0.0	-101.83	382.27	6.96	-94.87
CC[N@H+]1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC12CCOC2	REAL300006767633	1	51	0.0	-101.83	382.27	6.96	-94.87
CCN1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC12CCOC2	REAL300006767634	0	52	0.0	-84.29	369.02	7.13	-77.16
CC[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC12CCOC2	REAL300006767634	1	52	0.0	-89.67	371.69	6.96	-82.71
CC[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC12CCOC2	REAL300006767634	1	52	0.0	-89.67	371.69	6.96	-82.71
CCN1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC12CCOC2	REAL300006767635	0	52	0.0	-78.62	371.85	5.98	-72.64
CC[N@@H+]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC12CCOC2	REAL300006767635	1	52	0.0	-74.11	373.61	6.16	-67.95
CC[N@H+]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC12CCOC2	REAL300006767635	1	52	0.0	-74.11	373.61	6.16	-67.95
CCN1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC12CCOC2	REAL300006767637	0	53	0.0	-63.16	362.73	8.52	-54.64
CC[N@@H+]1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC12CCOC2	REAL300006767637	1	53	0.0	-69.27	351.29	8.64	-60.63
CC[N@H+]1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC12CCOC2	REAL300006767637	1	53	0.0	-69.27	351.29	8.64	-60.63
CCN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC12CCOC2	REAL300006767638	0	51	0.0	-70.51	344.63	7.87	-62.64
CC[N@@H+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC12CCOC2	REAL300006767638	1	51	0.0	-69.62	341.13	7.57	-62.05
CC[N@H+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC12CCOC2	REAL300006767638	1	51	0.0	-69.62	341.13	7.57	-62.05
CCN1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC12CCOC2	REAL300006767639	0	53	0.0	-44.56	364.91	4.97	-39.59
CCN1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC12CCOC2	REAL300006767639	1	53	0.0	-44.56	364.91	4.97	-39.59
CCN1CCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC12CCOC2	REAL300006767640	0	52	0.0	-59.70	377.60	8.97	-50.73
CC[N@@H+]1CCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC12CCOC2	REAL300006767640	1	52	0.0	-61.23	366.89	8.47	-52.76
CC[N@H+]1CCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC12CCOC2	REAL300006767640	1	52	0.0	-61.23	366.89	8.47	-52.76
CCN1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCOC2	REAL300006767641	0	52	0.0	-74.25	389.04	7.74	-66.51
CC[N@@H+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCOC2	REAL300006767641	1	52	0.0	-83.85	381.79	8.31	-75.54
CC[N@H+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCOC2	REAL300006767641	1	52	0.0	-83.85	381.79	8.31	-75.54
CCN1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC12CCOC2	REAL300006767642	0	52	0.0	-98.31	390.60	9.48	-88.83
CC[N@@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC12CCOC2	REAL300006767642	1	52	0.0	-99.05	390.03	9.29	-89.76
CC[N@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC12CCOC2	REAL300006767642	1	52	0.0	-99.05	390.03	9.29	-89.76
CCN1CCN(C(=O)C2CC3(CC3C(=O)[O-])C2)CC12CCOC2	REAL300006767643	0	49	0.0	-61.51	351.60	7.77	-53.74
CC[N@@H+]1CCN(C(=O)C2CC3(CC3C(=O)[O-])C2)CC12CCOC2	REAL300006767643	1	49	0.0	-73.27	354.33	7.56	-65.71
CC[N@H+]1CCN(C(=O)C2CC3(CC3C(=O)[O-])C2)CC12CCOC2	REAL300006767643	1	49	0.0	-73.27	354.33	7.56	-65.71
CCN1CCN(C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)CC12CCOC2	REAL300006767644	0	51	0.0	-78.53	362.90	8.53	-70.00
CC[N@@H+]1CCN(C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)CC12CCOC2	REAL300006767644	1	51	0.0	-85.63	361.27	8.36	-77.27
CC[N@H+]1CCN(C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)CC12CCOC2	REAL300006767644	1	51	0.0	-85.63	361.27	8.36	-77.27
CCN1CCN(C(=O)C2=CC(C(=O)[O-])=CC=C2C)CC12CCOC2	REAL300006767645	0	48	0.0	-62.63	350.40	7.71	-54.92
CC[N@@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC=C2C)CC12CCOC2	REAL300006767645	1	48	0.0	-63.74	347.28	7.32	-56.42
CC[N@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC=C2C)CC12CCOC2	REAL300006767645	1	48	0.0	-63.74	347.28	7.32	-56.42
CCN1CCN(C(=O)C2CC(C)(C(=O)[O-])C2)CC12CCOC2	REAL300006767646	0	48	0.0	-83.46	339.60	6.51	-76.95
CC[N@@H+]1CCN(C(=O)C2CC(C)(C(=O)[O-])C2)CC12CCOC2	REAL300006767646	1	48	0.0	-75.71	330.45	6.24	-69.47
CC[N@H+]1CCN(C(=O)C2CC(C)(C(=O)[O-])C2)CC12CCOC2	REAL300006767646	1	48	0.0	-75.71	330.45	6.24	-69.47
CCN1CCN(C(=O)C2=CC(C(=O)[O-])=NN2)CC12CCOC2	REAL300006767648	0	42	0.0	-82.43	309.86	3.57	-78.86
CC[N@@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=NN2)CC12CCOC2	REAL300006767648	1	42	0.0	-80.60	308.55	3.52	-77.08
CC[N@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=NN2)CC12CCOC2	REAL300006767648	1	42	0.0	-80.60	308.55	3.52	-77.08
CCN1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2C)CC12CCOC2	REAL300006767649	0	47	0.0	-70.15	340.27	5.71	-64.44
CC[N@@H+]1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2C)CC12CCOC2	REAL300006767649	1	47	0.0	-73.30	340.59	5.49	-67.81
CC[N@H+]1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2C)CC12CCOC2	REAL300006767649	1	47	0.0	-73.30	340.59	5.49	-67.81
CCN1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2C)CC12CCOC2	REAL300006767650	0	48	0.0	-72.17	350.39	7.72	-64.45
CC[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2C)CC12CCOC2	REAL300006767650	1	48	0.0	-76.16	352.49	7.71	-68.45
CC[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2C)CC12CCOC2	REAL300006767650	1	48	0.0	-76.16	352.49	7.71	-68.45
CCN1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC12CCOC2	REAL300006767651	0	45	0.0	-70.61	347.28	7.56	-63.05
CC[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC12CCOC2	REAL300006767651	1	45	0.0	-72.21	343.31	7.20	-65.01
CC[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC12CCOC2	REAL300006767651	1	45	0.0	-72.21	343.31	7.20	-65.01
CCN1CCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC12CCOC2	REAL300006767652	0	52	0.0	-75.74	367.48	7.97	-67.77
CC[N@@H+]1CCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC12CCOC2	REAL300006767652	1	52	0.0	-80.08	372.11	8.00	-72.08
CC[N@H+]1CCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC12CCOC2	REAL300006767652	1	52	0.0	-80.08	372.11	8.00	-72.08
CCN1CCN(C(=O)C2=CC=C(C(=O)[O-])N2C)CC12CCOC2	REAL300006767654	0	46	0.0	-73.68	332.99	6.28	-67.40
CC[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])N2C)CC12CCOC2	REAL300006767654	1	46	0.0	-76.05	331.34	6.10	-69.95
CC[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])N2C)CC12CCOC2	REAL300006767654	1	46	0.0	-76.05	331.34	6.10	-69.95
CCN1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC12CCOC2	REAL300006767655	0	46	0.0	-52.91	320.99	6.38	-46.53
CC[N@@H+]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC12CCOC2	REAL300006767655	1	46	0.0	-50.05	318.07	6.10	-43.95
CC[N@H+]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC12CCOC2	REAL300006767655	1	46	0.0	-50.05	318.07	6.10	-43.95
CCN1CCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC12CCOC2	REAL300006767656	0	51	0.0	-71.45	376.47	8.67	-62.78
CC[N@@H+]1CCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC12CCOC2	REAL300006767656	1	51	0.0	-75.20	373.16	8.40	-66.80
CC[N@H+]1CCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC12CCOC2	REAL300006767656	1	51	0.0	-75.20	373.16	8.40	-66.80
CCN1CCN(C(=O)CC2(CC(=O)[O-])CC2)CC12CCOC2	REAL300006767658	0	48	0.0	-70.01	344.61	7.16	-62.85
CC[N@@H+]1CCN(C(=O)CC2(CC(=O)[O-])CC2)CC12CCOC2	REAL300006767658	1	48	0.0	-66.05	344.59	6.95	-59.10
CC[N@H+]1CCN(C(=O)CC2(CC(=O)[O-])CC2)CC12CCOC2	REAL300006767658	1	48	0.0	-66.05	344.59	6.95	-59.10
CCN1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC12CCOC2	REAL300006767659	0	49	0.0	-74.94	365.56	7.87	-67.07
CC[N@@H+]1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC12CCOC2	REAL300006767659	1	49	0.0	-89.45	361.70	7.50	-81.95
CC[N@H+]1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC12CCOC2	REAL300006767659	1	49	0.0	-89.45	361.70	7.50	-81.95
CCN1CCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767661	0	45	0.0	-62.42	343.27	6.95	-55.47
CC[N@@H+]1CCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767661	1	45	0.0	-60.01	341.58	7.00	-53.01
CC[N@H+]1CCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)CC12CCOC2	REAL300006767661	1	45	0.0	-60.01	341.58	7.00	-53.01
CCN1CCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC12CCOC2	REAL300006767663	0	49	0.0	-73.11	372.80	6.73	-66.38
CC[N@@H+]1CCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC12CCOC2	REAL300006767663	1	49	0.0	-79.34	367.93	6.44	-72.90
CC[N@H+]1CCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC12CCOC2	REAL300006767663	1	49	0.0	-79.34	367.93	6.44	-72.90
CCN1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC12CCOC2	REAL300006767666	0	50	0.0	-72.10	363.77	6.95	-65.15
CC[N@@H+]1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC12CCOC2	REAL300006767666	1	50	0.0	-73.26	361.97	6.53	-66.73
CC[N@H+]1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC12CCOC2	REAL300006767666	1	50	0.0	-73.26	361.97	6.53	-66.73
CCN1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767668	0	49	0.0	-78.24	363.63	8.64	-69.60
CC[N@@H+]1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767668	1	49	0.0	-79.84	365.59	8.39	-71.45
CC[N@H+]1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300006767668	1	49	0.0	-79.84	365.59	8.39	-71.45
CCN1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCOC2	REAL300006767669	0	52	0.0	-56.94	352.43	7.40	-49.54
CC[N@@H+]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCOC2	REAL300006767669	1	52	0.0	-58.33	349.09	7.04	-51.29
CC[N@H+]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCOC2	REAL300006767669	1	52	0.0	-58.33	349.09	7.04	-51.29
CCN1CCN(C(=O)C2=C(C(=O)[O-])C=NN2C)CC12CCOC2	REAL300006767670	0	45	0.0	-72.11	336.10	4.51	-67.60
CC[N@@H+]1CCN(C(=O)C2=C(C(=O)[O-])C=NN2C)CC12CCOC2	REAL300006767670	1	45	0.0	-73.64	339.50	4.76	-68.88
CC[N@H+]1CCN(C(=O)C2=C(C(=O)[O-])C=NN2C)CC12CCOC2	REAL300006767670	1	45	0.0	-73.64	339.50	4.76	-68.88
CCN1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC12CCOC2	REAL300006767671	0	46	0.0	-60.87	354.56	6.63	-54.24
CC[N@@H+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC12CCOC2	REAL300006767671	1	46	0.0	-62.23	353.67	6.43	-55.80
CC[N@H+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC12CCOC2	REAL300006767671	1	46	0.0	-62.23	353.67	6.43	-55.80
CCN1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC12CCOC2	REAL300006767672	0	46	0.0	-75.74	354.78	6.75	-68.99
CC[N@@H+]1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC12CCOC2	REAL300006767672	1	46	0.0	-75.07	352.68	6.82	-68.25
CC[N@H+]1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC12CCOC2	REAL300006767672	1	46	0.0	-75.07	352.68	6.82	-68.25
CCN1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC12CCOC2	REAL300006767673	0	46	0.0	-66.09	342.56	5.47	-60.62
CC[N@@H+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC12CCOC2	REAL300006767673	1	46	0.0	-64.62	345.02	5.57	-59.05
CC[N@H+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC12CCOC2	REAL300006767673	1	46	0.0	-64.62	345.02	5.57	-59.05
CCN1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)CC12CCOC2	REAL300006767674	0	48	0.0	-76.26	344.77	7.60	-68.66
CC[N@@H+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)CC12CCOC2	REAL300006767674	1	48	0.0	-83.16	345.49	7.58	-75.58
CC[N@H+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)CC12CCOC2	REAL300006767674	1	48	0.0	-83.16	345.49	7.58	-75.58
CCN1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC12CCOC2	REAL300006767675	0	48	0.0	-81.93	361.62	6.82	-75.11
CC[N@@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC12CCOC2	REAL300006767675	1	48	0.0	-80.69	361.37	6.61	-74.08
CC[N@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC12CCOC2	REAL300006767675	1	48	0.0	-80.69	361.37	6.61	-74.08
C=C1CCC1(C(=O)[O-])C(=O)N1CCN(CC)C2(CCOC2)C1	REAL300006767676	0	46	0.0	-52.25	325.82	6.23	-46.02
C=C1CCC1(C(=O)[O-])C(=O)N1CC[N@@H+](CC)C2(CCOC2)C1	REAL300006767676	1	46	0.0	-53.39	323.47	6.00	-47.39
C=C1CCC1(C(=O)[O-])C(=O)N1CC[N@H+](CC)C2(CCOC2)C1	REAL300006767676	1	46	0.0	-53.39	323.47	6.00	-47.39
CCN1CCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC12CCOC2	REAL300006767678	0	50	0.0	-71.36	352.14	5.61	-65.75
CC[N@@H+]1CCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC12CCOC2	REAL300006767678	1	50	0.0	-66.74	344.87	6.01	-60.73
CC[N@H+]1CCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC12CCOC2	REAL300006767678	1	50	0.0	-66.74	344.87	6.01	-60.73
CCN1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC12CCOC2	REAL300006767679	0	51	0.0	-77.73	371.31	9.14	-68.59
CC[N@@H+]1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC12CCOC2	REAL300006767679	1	51	0.0	-79.04	367.30	8.79	-70.25
CC[N@H+]1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC12CCOC2	REAL300006767679	1	51	0.0	-79.04	367.30	8.79	-70.25
CCN1CCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC12CCOC2	REAL300006767680	0	51	0.0	-48.97	348.12	6.84	-42.13
CC[N@@H+]1CCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC12CCOC2	REAL300006767680	1	51	0.0	-79.13	349.51	8.08	-71.05
CC[N@H+]1CCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC12CCOC2	REAL300006767680	1	51	0.0	-79.13	349.51	8.08	-71.05
CCN1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC12CCOC2	REAL300006767681	0	51	0.0	-90.93	373.96	8.56	-82.37
CC[N@@H+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC12CCOC2	REAL300006767681	1	51	0.0	-92.73	373.88	8.42	-84.31
CC[N@H+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC12CCOC2	REAL300006767681	1	51	0.0	-92.73	373.88	8.42	-84.31
CCN1CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC12CCOC2	REAL300006767682	0	45	0.0	-83.77	346.39	7.30	-76.47
CC[N@@H+]1CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC12CCOC2	REAL300006767682	1	45	0.0	-86.63	348.21	7.05	-79.58
CC[N@H+]1CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC12CCOC2	REAL300006767682	1	45	0.0	-86.63	348.21	7.05	-79.58
CCN1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC12CCOC2	REAL300006767683	0	48	0.0	-95.40	361.72	8.07	-87.33
CC[N@@H+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC12CCOC2	REAL300006767683	1	48	0.0	-93.88	361.23	7.94	-85.94
CC[N@H+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC12CCOC2	REAL300006767683	1	48	0.0	-93.88	361.23	7.94	-85.94
CCN1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC12CCOC2	REAL300006767684	0	48	0.0	-73.45	339.33	6.94	-66.51
CC[N@@H+]1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC12CCOC2	REAL300006767684	1	48	0.0	-67.07	334.46	6.58	-60.49
CC[N@H+]1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC12CCOC2	REAL300006767684	1	48	0.0	-67.07	334.46	6.58	-60.49
CCN1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCOC2	REAL300006767686	0	55	0.0	-77.00	367.15	7.68	-69.32
CC[N@@H+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCOC2	REAL300006767686	1	55	0.0	-76.89	365.91	7.62	-69.27
CC[N@H+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCOC2	REAL300006767686	1	55	0.0	-76.89	365.91	7.62	-69.27
CC(C)(C)O[C@H]1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006767755	0	53	0.0	-48.37	382.66	8.61	-39.76
CC(C)(C)O[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006767865	0	53	0.0	-48.32	383.80	8.64	-39.68
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC12COC(C1)CCC2	REAL300006768040	0	48	0.0	-49.91	347.28	6.34	-43.57
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC12COC(C1)CCC2	REAL300006768040	1	48	0.0	-49.07	341.38	6.33	-42.74
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006769409	0	57	0.0	-78.86	412.55	12.09	-66.77
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300006770127	0	54	0.0	-68.41	396.70	11.66	-56.75
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300006770127	1	54	0.0	-64.23	396.51	11.65	-52.58
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300006770989	1	54	0.0	-72.17	414.58	12.21	-59.96
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300006770989	1	54	0.0	-68.51	413.88	12.22	-56.29
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300006771074	0	51	0.0	-74.97	360.13	9.76	-65.21
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2COCC[N@@H+]2C2CCCC2)CC1	REAL300006771102	1	55	0.0	-65.44	378.46	8.55	-56.89
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2COCC[N@H+]2C2CCCC2)CC1	REAL300006771102	1	55	0.0	-69.60	378.18	8.48	-61.12
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300006771104	0	48	0.0	-56.48	350.68	9.49	-46.99
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300006771104	1	48	0.0	-63.34	345.58	9.35	-53.99
CC1=[NH+]C=C2CCC(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)CN12	REAL300006771110	1	49	0.0	-67.81	364.96	9.82	-57.99
CC(C)(C(=O)[O-])C1=CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300006771111	0	57	0.0	-58.83	417.53	12.23	-46.60
CC1=NC(C[NH+]2CCC(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)CC2)=CS1	REAL300006771189	1	56	0.0	-77.70	418.81	9.83	-67.87
CC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300006771190	1	52	0.0	-67.04	363.62	6.71	-60.33
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300006771277	0	60	0.0	-78.94	450.39	12.00	-66.94
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006771290	0	60	0.0	-53.21	418.78	12.21	-41.00
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300006771348	0	42	0.0	-76.83	329.87	10.50	-66.33
C[NH+](C)CC1(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CCCCC1	REAL300006771381	0	56	0.0	-81.92	369.89	10.63	-71.29
C[N@H+](CCC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1CCCCC1	REAL300006771386	0	56	0.0	-71.15	394.71	10.83	-60.32
C[N@@H+](CCC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1CCCCC1	REAL300006771386	1	56	0.0	-72.05	393.65	10.82	-61.23
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006771407	1	57	0.0	-65.05	407.08	11.87	-53.18
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006771407	1	57	0.0	-73.39	410.63	12.09	-61.30
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006771408	0	54	0.0	-73.21	404.25	11.76	-61.45
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300006771408	1	54	0.0	-69.36	403.57	11.76	-57.60
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300006771465	0	50	0.0	-83.36	382.34	9.44	-73.92
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300006771490	0	57	0.0	-67.29	389.82	11.27	-56.02
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300006771490	1	57	0.0	-66.16	387.95	10.89	-55.27
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300006771491	0	58	0.0	-79.79	402.50	9.15	-70.64
CC1=[NH+]C=CN1CCCC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771522	1	48	0.0	-69.98	366.20	10.12	-59.86
CC(C)(C(=O)[O-])C1=CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300006771523	1	54	0.0	-76.15	393.47	8.80	-67.35
CC[N@H+](CC1=CC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1)C(C)C	REAL300006771525	0	59	0.0	-77.59	417.47	11.76	-65.83
CC[N@@H+](CC1=CC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1)C(C)C	REAL300006771525	1	59	0.0	-78.72	411.15	11.50	-67.22
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006771550	0	54	0.0	-72.12	396.09	11.43	-60.69
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006771550	1	54	0.0	-72.94	396.58	11.53	-61.41
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300006771551	0	55	0.0	-82.35	394.52	10.78	-71.57
C[NH+]1CCN(C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300006771579	1	59	0.0	-76.56	428.00	10.07	-66.49
CC(C)(C(=O)[O-])C1=CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300006771580	0	58	0.0	-70.88	392.00	9.09	-61.79
CCC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[NH+](CC)CC	REAL300006771584	0	52	0.0	-60.47	353.43	8.97	-51.50
CC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300006771586	0	53	0.0	-65.40	388.29	11.14	-54.26
CC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300006771586	1	53	0.0	-63.74	387.78	11.08	-52.66
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300006771597	0	60	0.0	-76.77	428.77	12.97	-63.80
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300006771597	1	60	0.0	-67.58	429.28	13.14	-54.44
C[NH+](C)CC1=CC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300006771623	0	49	0.0	-77.62	368.26	8.74	-68.88
CCC[NH+](CCC)CCCC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771633	0	58	0.0	-71.91	418.86	11.43	-60.48
CC(C)(C(=O)[O-])C1=CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC1	REAL300006771634	0	58	0.0	-68.94	418.27	8.89	-60.05
CC[N@H+](C)C(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006771635	0	53	0.0	-66.78	384.21	11.04	-55.74
CC[N@@H+](C)C(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006771635	1	53	0.0	-57.78	381.31	11.04	-46.74
CC[NH+](CC)C(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006771640	0	56	0.0	-58.70	392.16	11.41	-47.29
CC(C)C1=[NH+]C=CN1CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771647	1	48	0.0	-63.72	360.86	9.89	-53.83
C[NH+](C)C(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300006771651	1	50	0.0	-62.58	381.36	10.91	-51.67
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300006771664	0	54	0.0	-83.59	397.25	11.46	-72.13
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300006771671	0	57	0.0	-71.66	414.19	12.18	-59.48
CCC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[N@@H+]1CCOC(CC)C1	REAL300006771674	1	57	0.0	-62.60	390.27	8.99	-53.61
CCC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[N@H+]1CCOC(CC)C1	REAL300006771674	1	57	0.0	-63.63	397.47	9.08	-54.55
CCN1CCC([NH+]2CCC(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)CC2)CC1	REAL300006771677	0	65	0.0	-77.38	446.63	9.85	-67.53
CC(C)(C(=O)[O-])C1=CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300006771697	1	58	0.0	-78.20	429.46	11.76	-66.44
CC(C)(C(=O)[O-])C1=CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300006771697	1	58	0.0	-81.35	423.81	11.70	-69.65
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300006771712	0	57	0.0	-65.84	412.00	12.28	-53.56
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300006771712	1	57	0.0	-69.94	405.62	11.99	-57.95
CC1=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300006771714	1	48	0.0	-79.87	371.35	8.73	-71.14
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300006771722	0	57	0.0	-81.39	414.28	12.20	-69.19
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300006771735	1	50	0.0	-77.63	376.56	9.65	-67.98
C[NH+](C)CCC1=CC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300006771736	0	53	0.0	-83.13	395.21	11.19	-71.94
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771748	1	46	0.0	-61.64	347.53	7.77	-53.87
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300006771749	1	55	0.0	-84.84	405.73	11.00	-73.84
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300006771749	1	55	0.0	-82.42	400.93	10.91	-71.51
CC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006771761	0	63	0.0	-68.13	451.48	13.57	-54.56
CC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[NH+]1CCSCC1	REAL300006771807	1	48	0.0	-65.67	346.39	8.81	-56.86
C[N@H+](CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)CC(C)(C)C	REAL300006771813	0	52	0.0	-67.13	363.07	9.58	-57.55
C[N@@H+](CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)CC(C)(C)C	REAL300006771813	1	52	0.0	-66.29	365.02	9.72	-56.57
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771815	0	53	0.0	-70.48	394.37	11.62	-58.86
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771815	1	53	0.0	-70.86	394.38	11.60	-59.26
COCCOCC[N@H+](C)CCC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771816	0	57	0.0	-70.90	423.37	7.84	-63.06
COCCOCC[N@@H+](C)CCC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771816	1	57	0.0	-73.91	423.42	7.87	-66.04
C[N@@H+]1CCCC(O)(CC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006771820	0	51	0.0	-70.65	362.63	7.61	-63.04
C[N@H+]1CCCC(O)(CC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006771820	1	51	0.0	-71.22	352.94	7.47	-63.75
CC(C)(C(=O)[O-])C1=CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300006771837	0	62	0.0	-76.76	449.54	11.35	-65.41
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300006771838	1	56	0.0	-70.43	408.15	10.55	-59.88
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300006771838	1	56	0.0	-63.13	408.43	10.57	-52.56
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300006771839	1	56	0.0	-65.63	395.59	9.94	-55.69
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300006771839	1	56	0.0	-71.04	400.24	10.27	-60.77
CCCCCC[N@H+](C)CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771841	0	55	0.0	-68.63	398.96	10.91	-57.72
CCCCCC[N@@H+](C)CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771841	1	55	0.0	-68.16	400.06	10.95	-57.21
CC(C)(C(=O)[O-])C1=CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300006771851	0	48	0.0	-65.44	334.32	8.54	-56.90
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300006771859	1	42	0.0	-78.58	330.21	10.54	-68.04
C[N@H+](CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1CCSC1	REAL300006771876	0	48	0.0	-73.66	355.83	9.44	-64.22
C[N@@H+](CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1CCSC1	REAL300006771876	1	48	0.0	-69.90	354.47	9.40	-60.50
CC(C)[NH+]1CCN(CCC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006771891	0	58	0.0	-73.45	411.68	8.41	-65.04
CC(C)N1CC[NH+](CCC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006771891	1	58	0.0	-70.91	408.19	8.22	-62.69
CC(C)[NH+]1CCN(CCCC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006771892	0	61	0.0	-70.32	432.05	9.19	-61.13
CC(C)N1CC[NH+](CCCC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006771892	1	61	0.0	-72.96	430.00	9.05	-63.91
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300006771893	0	51	0.0	-62.18	361.33	9.89	-52.29
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300006771893	1	51	0.0	-59.71	355.17	9.70	-50.01
C[NH+](C)CCN1C=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300006771895	0	50	0.0	-81.57	376.68	8.31	-73.26
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)CC2)=C1	REAL300006771903	0	62	0.0	-75.14	450.55	11.25	-63.89
CC(C)(C(=O)[O-])C1=CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300006771905	0	59	0.0	-75.67	428.04	10.57	-65.10
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300006771908	0	56	0.0	-73.97	407.86	10.34	-63.63
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300006771908	1	56	0.0	-77.99	410.75	10.48	-67.51
CC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006771913	0	54	0.0	-64.28	392.41	11.50	-52.78
CC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006771913	1	54	0.0	-67.11	386.98	11.41	-55.70
CCC(CC)C(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300006771930	1	60	0.0	-57.51	398.80	9.32	-48.19
CC(C)(C(=O)[O-])C1=CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006771937	0	57	0.0	-75.71	419.47	12.40	-63.31
CC(C)(C(=O)[O-])C1=CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006771937	1	57	0.0	-78.51	422.16	12.52	-65.99
C[NH+](C)CCN1C=CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=N1	REAL300006771953	0	50	0.0	-86.77	376.65	9.00	-77.77
C[NH+](C)CCN1N=CC=C1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771954	0	50	0.0	-59.94	371.33	8.35	-51.59
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771960	1	51	0.0	-64.77	382.30	10.45	-54.32
CC[C@@H]1[C@@H](C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC[N@@H+]1C	REAL300006771963	0	50	0.0	-70.15	353.16	8.82	-61.33
CC[C@@H]1[C@@H](C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC[N@H+]1C	REAL300006771963	1	50	0.0	-68.91	360.22	9.40	-59.51
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=NN1	REAL300006771966	1	51	0.0	-80.78	378.21	8.53	-72.25
C[N@H+]1CCCC1C1=CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=NN1	REAL300006771966	1	51	0.0	-79.41	379.63	8.51	-70.90
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771967	0	46	0.0	-61.95	341.59	8.94	-53.01
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771967	1	46	0.0	-63.43	343.84	9.17	-54.26
CC1C[N@H+](C)CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)O1	REAL300006771975	1	48	0.0	-85.96	342.93	7.74	-78.22
CC1C[N@@H+](C)CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)O1	REAL300006771975	1	48	0.0	-85.27	350.23	8.15	-77.12
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300006771981	0	57	0.0	-74.06	419.30	12.16	-61.90
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300006771981	1	57	0.0	-78.99	423.32	12.34	-66.65
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300006771982	1	53	0.0	-60.19	388.44	9.66	-50.53
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300006771982	1	53	0.0	-68.34	390.80	9.79	-58.55
CC(C[NH+]1CCOCC1)C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006771987	0	51	0.0	-65.92	365.58	7.75	-58.17
CC(C)(C(=O)[O-])C1=CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1	REAL300006771988	0	58	0.0	-75.72	426.86	10.00	-65.72
CC1CC[NH+](CC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006771998	0	50	0.0	-66.86	358.95	9.67	-57.19
CC[N@@H+]1CCOC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006772013	1	48	0.0	-71.10	339.26	7.89	-63.21
CC[N@H+]1CCOC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006772013	1	48	0.0	-75.76	347.74	8.10	-67.66
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300006772053	0	57	0.0	-72.73	398.67	11.02	-61.71
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300006772053	1	57	0.0	-62.87	401.22	11.04	-51.83
C[N@@H+]1CCCC1CCC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772060	0	50	0.0	-71.58	356.90	9.21	-62.37
C[N@H+]1CCCC1CCC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772060	1	50	0.0	-69.76	357.17	9.26	-60.50
CC(C)(C(=O)[O-])C1=CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300006772073	0	51	0.0	-85.52	343.02	8.84	-76.68
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772077	0	48	0.0	-59.71	330.38	4.66	-55.05
C[N@H+]1CC(O)CC1(C)C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772077	1	48	0.0	-64.89	337.58	4.69	-60.20
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300006772078	0	51	0.0	-61.21	354.58	9.66	-51.55
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300006772078	1	51	0.0	-64.39	355.92	9.63	-54.76
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772086	0	54	0.0	-70.93	368.44	7.79	-63.14
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300006772091	0	57	0.0	-71.50	408.15	9.66	-61.84
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300006772091	1	57	0.0	-76.06	420.32	9.89	-66.17
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=C2)CC1	REAL300006772096	0	59	0.0	-74.93	431.02	9.73	-65.20
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C2)CC1	REAL300006772097	0	59	0.0	-81.36	431.09	9.74	-71.62
CN1CC[NH+](CC2=CC=C(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C2)CC1	REAL300006772097	1	59	0.0	-82.51	431.88	9.67	-72.84
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300006772098	0	60	0.0	-82.49	432.56	11.16	-71.33
CC(C)[NH+]1CCC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006772106	0	53	0.0	-74.84	370.67	9.76	-65.08
CC(C)(C(=O)[O-])C1=CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300006772193	0	48	0.0	-79.82	327.04	7.92	-71.90
CC(C)(C(=O)[O-])C1=CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300006772193	1	48	0.0	-72.87	329.36	8.04	-64.83
CC1CCC(C)[NH+]1CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772246	0	50	0.0	-63.04	353.22	9.19	-53.85
C[NH+](C)CC1=CC=CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300006772247	0	50	0.0	-73.41	373.71	10.34	-63.07
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006772248	0	57	0.0	-62.89	407.81	12.37	-50.52
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006772248	1	57	0.0	-67.04	406.70	12.26	-54.78
C#CC[NH+]1CCC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006772318	0	49	0.0	-77.37	359.93	9.71	-67.66
CCC[N@@H+]1CCCCC1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772320	0	53	0.0	-69.61	367.16	9.81	-59.80
CCC[N@H+]1CCCCC1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772320	1	53	0.0	-64.53	375.79	10.12	-54.41
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772321	0	50	0.0	-44.83	371.59	10.38	-34.45
CC[NH+]1CCN(CCC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006772323	0	55	0.0	-75.06	394.94	7.90	-67.16
CCN1CC[NH+](CCC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006772323	1	55	0.0	-70.98	394.95	7.91	-63.07
CC(C)C(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300006772325	0	56	0.0	-61.06	380.67	10.71	-50.35
C[NH+](C)C(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006772326	1	50	0.0	-59.77	363.53	10.36	-49.41
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300006772330	0	55	0.0	-70.26	403.98	8.74	-61.52
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300006772330	1	55	0.0	-64.73	404.58	8.62	-56.11
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772336	1	51	0.0	-64.23	380.69	10.35	-53.88
C[NH+](C)CC1=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300006772337	0	53	0.0	-58.76	392.92	11.02	-47.74
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300006772343	0	54	0.0	-65.33	367.70	10.72	-54.61
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300006772343	1	54	0.0	-64.09	374.70	10.37	-53.72
CC(C)(C(=O)[O-])C1=CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC1	REAL300006772372	1	55	0.0	-58.71	405.60	11.95	-46.76
CC(C)C(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300006772373	1	60	0.0	-59.11	415.19	9.62	-49.49
CC(C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)[NH+]1CCCCCC1	REAL300006772374	0	53	0.0	-62.38	362.86	9.62	-52.76
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=CC=C1N2	REAL300006772412	1	55	0.0	-89.34	407.79	10.74	-78.60
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=CC=C1N2	REAL300006772412	1	55	0.0	-89.83	407.78	10.72	-79.11
CC[NH+](CC)CC1=CC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)O1	REAL300006772468	0	53	0.0	-77.30	392.33	10.37	-66.93
CC(C)(C(=O)[O-])C1=CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300006772469	0	53	0.0	-73.73	384.95	10.41	-63.32
CC1=CC=C(N2CCC(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300006772471	1	56	0.0	-71.82	404.76	9.98	-61.84
C[N@H+](CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300006772472	1	50	0.0	-71.33	371.90	10.78	-60.55
C[N@@H+](CC(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300006772472	1	50	0.0	-70.86	371.92	10.76	-60.10
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C2)CC1	REAL300006772476	0	62	0.0	-82.97	440.51	10.67	-72.30
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300006772495	1	45	0.0	-77.70	352.26	8.27	-69.43
C[NH+](C)CC1=CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=NO1	REAL300006772527	1	46	0.0	-80.48	352.66	8.51	-71.97
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772531	0	57	0.0	-73.75	417.88	12.15	-61.60
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772531	1	57	0.0	-73.34	416.84	12.36	-60.98
CC(C)[N@@H+]1CCCC1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772550	0	50	0.0	-62.52	349.66	8.99	-53.53
CC(C)[N@H+]1CCCC1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772550	1	50	0.0	-63.36	354.28	9.14	-54.22
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300006772557	0	58	0.0	-80.75	436.60	11.64	-69.11
C[NH+]1CCC(OCC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006772578	0	51	0.0	-79.88	376.29	9.36	-70.52
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300006772583	0	54	0.0	-79.98	397.48	10.85	-69.13
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300006772628	0	56	0.0	-66.73	408.82	10.29	-56.44
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300006772628	1	56	0.0	-59.30	404.08	10.17	-49.13
CCC[N@@H+]1CCCC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006772780	0	53	0.0	-65.44	371.50	10.20	-55.24
CCC[N@H+]1CCCC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006772780	1	53	0.0	-59.81	369.34	10.18	-49.63
CC(C)C[N@@H+]1CCCC1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772813	0	53	0.0	-66.05	373.65	9.81	-56.24
CC(C)C[N@H+]1CCCC1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006772813	1	53	0.0	-65.66	377.15	10.18	-55.48
CC(C)(C(=O)[O-])C1=CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300006772814	0	51	0.0	-68.45	370.11	6.36	-62.09
CC(C)(C(=O)[O-])C1=CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300006772916	0	58	0.0	-71.32	417.39	12.32	-59.00
CC(C)(C(=O)[O-])C1=CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300006772916	1	58	0.0	-73.89	421.89	12.38	-61.51
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300006772957	1	57	0.0	-68.27	417.91	12.28	-55.99
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300006772957	1	57	0.0	-73.81	410.64	12.08	-61.73
CC(C)[N@@H+]1CCCC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006773054	0	53	0.0	-62.03	374.41	9.89	-52.14
CC(C)[N@H+]1CCCC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006773054	1	53	0.0	-67.53	370.67	9.70	-57.83
C[N@@H+]1CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006773055	0	47	0.0	-81.78	356.25	8.73	-73.05
C[N@H+]1CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300006773055	1	47	0.0	-71.91	347.05	8.47	-63.44
CC1=C(C)[NH+]=C(CCC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)N1	REAL300006773079	1	48	0.0	-65.00	367.51	8.57	-56.43
C[NH+](C)CCC1=CC=CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300006773584	0	53	0.0	-89.63	394.90	11.15	-78.48
C[NH+](C)CCOC1=CC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300006773592	0	54	0.0	-84.37	402.28	10.09	-74.28
CC(C)(C(=O)[O-])C1=CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300006773693	0	60	0.0	-73.14	434.89	13.16	-59.98
CC1CN(CC2=CC=C(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C2)CCO1	REAL300006773695	0	58	0.0	-84.08	426.71	10.53	-73.55
CC1C[N@H+](CC2=CC=C(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C2)CCO1	REAL300006773695	1	58	0.0	-84.05	427.86	10.55	-73.50
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C2)CCO1	REAL300006773695	1	58	0.0	-84.05	427.86	10.55	-73.50
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300006773742	0	53	0.0	-68.17	365.41	9.62	-58.55
CC1=[NH+]C=C2C=CC(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=CN21	REAL300006773746	0	45	0.0	-71.51	352.38	10.30	-61.21
CC(C)C[N@@H+]1CCCC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006773810	0	56	0.0	-64.38	386.80	10.77	-53.61
CC(C)C[N@H+]1CCCC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006773810	1	56	0.0	-68.30	391.85	10.58	-57.72
CC[N@@H+]1CCCC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006773811	0	50	0.0	-63.77	347.90	9.38	-54.39
CC[N@H+]1CCCC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006773811	1	50	0.0	-75.08	348.69	9.23	-65.85
C[NH+](C)CC1=CC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)O1	REAL300006773817	1	47	0.0	-80.65	356.53	9.01	-71.64
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006773823	0	56	0.0	-68.93	366.69	9.28	-59.65
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300006773823	1	56	0.0	-70.32	367.19	9.28	-61.04
CC(C)(C(=O)[O-])C1=CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300006773826	0	49	0.0	-64.21	355.45	9.62	-54.59
CC(C)(C(=O)[O-])C1=CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300006773826	1	49	0.0	-70.17	348.00	10.51	-59.66
CCC1=CC=C(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006773864	1	46	0.0	-49.18	349.56	10.45	-38.73
CC1(C)CCCOC1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006773960	1	53	0.0	-45.35	374.29	6.67	-38.68
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(C=CC(Br)=C3F)C2)C1	REAL300006774134	0	44	0.0	-54.92	358.96	10.29	-44.63
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C=CC(Br)=C3F)C2)C1	REAL300006774134	1	44	0.0	-53.57	359.09	10.29	-43.28
O=C([O-])C12CC1CN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300006775409	0	48	0.0	-80.57	371.51	10.77	-69.80
O=C([O-])C12CC1CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300006776169	0	45	0.0	-68.43	349.03	10.29	-58.14
O=C([O-])C12CC1CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300006776169	1	45	0.0	-69.94	350.96	10.46	-59.48
O=C([O-])C12CC1CN(C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C2	REAL300006776855	1	45	0.0	-73.35	368.51	10.97	-62.38
O=C([O-])C12CC1CN(C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C2	REAL300006776855	1	45	0.0	-69.39	362.31	10.50	-58.89
O=C([O-])C12CC1CN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300006776923	0	48	0.0	-69.09	359.07	10.29	-58.80
CC1=NC(C[NH+]2CCC(C(=O)N3CC4CC4(C(=O)[O-])C3)CC2)=CS1	REAL300006776982	1	47	0.0	-64.91	378.39	8.81	-56.10
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300006777037	0	51	0.0	-78.65	403.56	10.66	-67.99
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300006777049	0	51	0.0	-75.66	401.93	12.28	-63.38
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300006777049	1	51	0.0	-71.94	400.65	12.57	-59.37
CC1(C(=O)N2CC3CC3(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006777050	0	51	0.0	-69.29	375.27	10.99	-58.30
O=C([O-])C12CC1CN(C(=O)C1(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006777087	0	48	0.0	-71.16	375.44	10.50	-60.66
O=C([O-])C12CC1CN(C(=O)C1(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006777087	1	48	0.0	-64.15	377.07	10.34	-53.81
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300006777137	1	48	0.0	-67.26	373.51	10.79	-56.47
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300006777137	1	48	0.0	-70.65	373.46	11.04	-59.61
O=C([O-])C12CC1CN(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300006777138	1	45	0.0	-74.43	358.19	10.52	-63.91
O=C([O-])C12CC1CN(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300006777138	1	45	0.0	-70.27	351.98	10.05	-60.22
O=C([O-])C12CC1CN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300006777182	0	41	0.0	-85.14	336.56	7.85	-77.29
C[NH+](C)CCN1N=CC(C(=O)N2CC3CC3(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300006777187	0	51	0.0	-80.16	402.86	10.37	-69.79
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300006777211	0	48	0.0	-66.87	345.57	9.30	-57.57
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300006777211	1	48	0.0	-66.88	341.69	9.53	-57.35
O=C([O-])C12CC1CN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300006777212	0	49	0.0	-68.93	361.81	7.78	-61.15
CC[N@H+](CC1=CC=C(C(=O)N2CC3CC3(C(=O)[O-])C2)C=C1)C(C)C	REAL300006777232	0	50	0.0	-88.02	364.79	10.01	-78.01
CC[N@@H+](CC1=CC=C(C(=O)N2CC3CC3(C(=O)[O-])C2)C=C1)C(C)C	REAL300006777232	1	50	0.0	-85.31	364.25	9.90	-75.41
O=C([O-])C12CC1CN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006777253	0	45	0.0	-75.41	353.41	9.99	-65.42
O=C([O-])C12CC1CN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006777253	1	45	0.0	-74.48	350.68	10.23	-64.25
O=C([O-])C12CC1CN(C(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300006777254	0	46	0.0	-81.00	349.80	9.15	-71.85
C[NH+]1CCN(C(C(=O)N2CC3CC3(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300006777275	1	50	0.0	-72.72	381.92	8.90	-63.82
O=C([O-])C12CC1CN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2	REAL300006777276	0	49	0.0	-74.75	346.18	7.80	-66.95
CC(C(=O)N1CC2CC2(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300006777278	0	44	0.0	-71.18	344.46	9.58	-61.60
CC(C(=O)N1CC2CC2(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006777278	1	44	0.0	-69.24	343.21	9.56	-59.68
O=C([O-])C12CC1CN(C(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300006777285	0	51	0.0	-70.25	382.45	11.54	-58.71
O=C([O-])C12CC1CN(C(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300006777285	1	51	0.0	-77.85	388.41	11.65	-66.20
O=C([O-])C12CC1CN(C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C2	REAL300006777322	1	49	0.0	-65.42	377.53	7.52	-57.90
CC[N@H+](C)C(C(=O)N1CC2CC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006777323	0	44	0.0	-67.42	340.45	9.55	-57.87
CC[N@@H+](C)C(C(=O)N1CC2CC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006777323	1	44	0.0	-62.29	337.65	9.51	-52.78
CC[NH+](CC)C(C(=O)N1CC2CC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006777328	0	47	0.0	-66.69	346.08	10.23	-56.46
C[NH+](C)C(C(=O)N1CC2CC2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300006777331	1	41	0.0	-72.56	339.37	9.43	-63.13
O=C([O-])C12CC1CN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300006777345	0	45	0.0	-71.90	349.23	9.84	-62.06
O=C([O-])C12CC1CN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300006777351	0	48	0.0	-66.98	365.51	10.82	-56.16
CCN1CCC([NH+]2CCC(C(=O)N3CC4CC4(C(=O)[O-])C3)CC2)CC1	REAL300006777357	0	56	0.0	-81.08	396.86	8.05	-73.03
CC1C[NH+](CC2=CC=C(C(=O)N3CC4CC4(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300006777363	1	52	0.0	-91.98	399.36	9.58	-82.40
O=C([O-])C12CC1CN(C(=O)CC1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006777374	1	49	0.0	-83.06	383.74	10.49	-72.57
O=C([O-])C12CC1CN(C(=O)CC1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006777374	1	49	0.0	-85.66	377.03	10.40	-75.26
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300006777389	0	48	0.0	-64.39	367.09	10.71	-53.68
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300006777389	1	48	0.0	-66.57	367.05	10.97	-55.60
CC1=C(C(=O)N2CC3CC3(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300006777391	1	39	0.0	-80.07	319.96	7.40	-72.67
O=C([O-])C12CC1CN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300006777399	0	48	0.0	-88.75	366.04	10.56	-78.19
O=C([O-])C12CC1CN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300006777409	1	41	0.0	-78.13	331.13	8.29	-69.84
C[NH+](C)CCC1=CC=C(C(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300006777410	0	44	0.0	-91.48	346.96	9.54	-81.94
O=C([O-])C12CC1CN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006777417	1	46	0.0	-88.26	360.81	9.47	-78.79
O=C([O-])C12CC1CN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006777417	1	46	0.0	-81.37	360.01	9.77	-71.60
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006777421	0	55	0.0	-67.66	413.16	11.87	-55.79
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006777421	1	55	0.0	-60.79	404.08	11.67	-49.12
CC(C(=O)N1CC2CC2(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006777429	0	54	0.0	-70.65	407.24	12.02	-58.63
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006777459	0	44	0.0	-73.73	349.00	10.04	-63.69
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006777459	1	44	0.0	-73.09	349.44	10.06	-63.03
COCCOCC[N@H+](C)CCC(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006777460	0	48	0.0	-74.25	378.48	6.28	-67.97
COCCOCC[N@@H+](C)CCC(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006777460	1	48	0.0	-77.15	378.53	6.28	-70.87
O=C([O-])C12CC1CN(C(=O)CCC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300006777469	0	53	0.0	-80.63	403.79	10.06	-70.57
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C2	REAL300006777470	1	47	0.0	-70.84	361.91	9.22	-61.62
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C2	REAL300006777470	1	47	0.0	-77.70	353.92	8.70	-69.00
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C2	REAL300006777471	1	47	0.0	-75.66	354.53	8.58	-67.08
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C2	REAL300006777471	1	47	0.0	-72.17	361.43	9.23	-62.94
CC(C)[NH+]1CCN(CCC(=O)N2CC3CC3(C(=O)[O-])C2)CC1	REAL300006777496	0	49	0.0	-77.12	365.70	6.83	-70.29
CC(C)N1CC[NH+](CCC(=O)N2CC3CC3(C(=O)[O-])C2)CC1	REAL300006777496	1	49	0.0	-75.26	361.34	6.90	-68.36
CC(C)[NH+]1CCN(CCCC(=O)N2CC3CC3(C(=O)[O-])C2)CC1	REAL300006777497	0	52	0.0	-74.41	387.16	7.63	-66.78
CC(C)N1CC[NH+](CCCC(=O)N2CC3CC3(C(=O)[O-])C2)CC1	REAL300006777497	1	52	0.0	-76.11	383.16	7.74	-68.37
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4CC4(C(=O)[O-])C3)CC2)=C1	REAL300006777502	0	53	0.0	-79.81	403.72	9.93	-69.88
O=C([O-])C12CC1CN(C(=O)CC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300006777503	0	50	0.0	-79.65	382.29	9.26	-70.39
O=C([O-])C12CC1CN(C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300006777506	0	47	0.0	-77.31	362.02	9.01	-68.30
O=C([O-])C12CC1CN(C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300006777506	1	47	0.0	-75.71	355.41	9.21	-66.50
CC(C(=O)N1CC2CC2(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006777510	0	45	0.0	-70.97	340.87	10.14	-60.83
CC(C(=O)N1CC2CC2(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006777510	1	45	0.0	-70.23	346.34	10.23	-60.00
CCC(CC)C(C(=O)N1CC2CC2(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300006777521	1	51	0.0	-64.70	350.40	8.02	-56.68
O=C([O-])C12CC1CN(C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006777535	0	48	0.0	-79.90	374.46	11.12	-68.78
O=C([O-])C12CC1CN(C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006777535	1	48	0.0	-80.00	375.03	11.15	-68.85
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3CC3(C(=O)[O-])C2)=NN1	REAL300006777550	1	42	0.0	-79.93	331.93	7.18	-72.75
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3CC3(C(=O)[O-])C2)=NN1	REAL300006777550	1	42	0.0	-81.64	325.81	6.35	-75.29
O=C([O-])C12CC1CN(C(=O)C1CCC[N@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300006777560	0	48	0.0	-77.35	373.49	10.84	-66.51
O=C([O-])C12CC1CN(C(=O)C1CCC[N@@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300006777560	1	48	0.0	-71.46	366.87	11.05	-60.41
O=C([O-])C12CC1CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C2	REAL300006777561	1	44	0.0	-63.91	344.66	8.87	-55.04
O=C([O-])C12CC1CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C2	REAL300006777561	1	44	0.0	-66.29	342.29	7.89	-58.40
O=C([O-])C12CC1CN(C(=O)CC[NH+]1CCN(C3=CC=CC=N3)CC1)C2	REAL300006777563	0	49	0.0	-79.56	380.06	8.68	-70.88
O=C([O-])C12CC1CN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300006777593	0	48	0.0	-72.74	353.18	9.44	-63.30
O=C([O-])C12CC1CN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300006777593	1	48	0.0	-74.55	353.65	9.66	-64.89
O=C([O-])C12CC1CN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300006777608	0	53	0.0	-81.46	402.35	9.63	-71.83
O=C([O-])C12CC1CN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300006777608	1	53	0.0	-87.31	398.87	9.45	-77.86
CC(C)[N@@H+]1CCC(C(=O)N2CC3CC3(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006777614	0	54	0.0	-86.71	404.71	9.35	-77.36
CC(C)[N@H+]1CCC(C(=O)N2CC3CC3(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006777614	1	54	0.0	-73.22	396.46	9.24	-63.98
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC3CC3(C(=O)[O-])C2)C=N1	REAL300006777615	0	48	0.0	-85.27	369.56	8.44	-76.83
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC3CC3(C(=O)[O-])C2)C=N1	REAL300006777615	1	48	0.0	-79.99	361.57	8.35	-71.64
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4CC4(C(=O)[O-])C3)=C2)CC1	REAL300006777619	0	50	0.0	-60.89	382.60	8.40	-52.49
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4CC4(C(=O)[O-])C3)C=C2)CC1	REAL300006777620	0	50	0.0	-84.11	383.03	8.13	-75.98
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4CC4(C(=O)[O-])C3)C=C2)CC1	REAL300006777620	1	50	0.0	-89.64	382.55	8.00	-81.64
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300006777621	0	51	0.0	-87.18	389.42	9.84	-77.34
O=C([O-])C12CC1CN(C(=O)C1=CC=C(C[NH+]3CCC(CO)CC3)C=C1)C2	REAL300006777682	0	52	0.0	-91.09	397.69	7.86	-83.23
O=C([O-])C12CC1CN(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006777684	0	48	0.0	-75.71	361.41	10.86	-64.85
O=C([O-])C12CC1CN(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006777684	1	48	0.0	-73.02	365.84	10.78	-62.24
O=C([O-])C12CC1CN(C(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006777736	0	46	0.0	-73.53	360.57	7.36	-66.17
O=C([O-])C12CC1CN(C(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006777736	1	46	0.0	-69.63	361.24	6.93	-62.70
C[NH+](C)CC1=C(C(=O)N2CC3CC3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300006777740	0	44	0.0	-62.56	351.82	9.78	-52.78
CC[NH+](CC)C(C(=O)N1CC2CC2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300006777742	0	50	0.0	-74.22	385.18	11.02	-63.20
O=C([O-])C12CC1CN(C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1)C2	REAL300006777766	1	46	0.0	-61.99	360.66	10.44	-51.55
CC(C)C(C(=O)N1CC2CC2(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006777767	1	51	0.0	-68.57	365.52	8.09	-60.48
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CC4(C(=O)[O-])C3)=CC=C1N2	REAL300006777788	1	46	0.0	-84.04	360.20	9.11	-74.93
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CC4(C(=O)[O-])C3)=CC=C1N2	REAL300006777788	1	46	0.0	-85.33	359.92	9.10	-76.23
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3CC3(C(=O)[O-])C2)O1	REAL300006777837	0	44	0.0	-77.42	342.11	8.83	-68.59
CC1=CC=C(N2CCC(C(=O)N3CC4CC4(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300006777839	1	47	0.0	-74.03	359.64	8.73	-65.30
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4CC4(C(=O)[O-])C3)C=C2)CC1	REAL300006777842	0	53	0.0	-87.65	392.94	9.08	-78.57
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006777881	0	48	0.0	-80.09	372.54	10.83	-69.26
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006777881	1	48	0.0	-75.00	364.88	10.80	-64.20
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300006777897	0	49	0.0	-81.01	390.74	10.37	-70.64
O=C([O-])C12CC1CN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300006777912	0	45	0.0	-78.11	351.34	9.54	-68.57
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC3CC3(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006777937	0	47	0.0	-76.07	360.59	8.96	-67.11
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC3CC3(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006777937	1	47	0.0	-70.27	359.36	8.87	-61.40
O=C([O-])C12CC1CN(C(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)C2	REAL300006778121	0	49	0.0	-77.82	374.33	11.16	-66.66
O=C([O-])C12CC1CN(C(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)C2	REAL300006778121	1	49	0.0	-81.74	376.47	11.07	-70.67
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C2	REAL300006778147	1	48	0.0	-76.26	366.09	10.49	-65.77
O=C([O-])C12CC1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C2	REAL300006778147	1	48	0.0	-72.65	372.92	11.06	-61.59
C[N@@H+]1CC(C(=O)N2CC3CC3(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006778209	0	38	0.0	-84.17	300.51	7.64	-76.53
C[N@H+]1CC(C(=O)N2CC3CC3(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006778209	1	38	0.0	-81.43	311.45	7.50	-73.93
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300006778551	0	44	0.0	-77.55	347.84	9.84	-67.71
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300006778555	0	45	0.0	-87.18	354.22	8.48	-78.70
O=C([O-])C12CC1CN(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300006778619	0	51	0.0	-72.94	390.12	11.60	-61.34
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4CC4(C(=O)[O-])C3)C=C2)CCO1	REAL300006778621	1	49	0.0	-92.22	370.74	8.82	-83.40
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4CC4(C(=O)[O-])C3)C=C2)CCO1	REAL300006778621	1	49	0.0	-91.65	372.50	8.85	-82.80
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300006778772	0	46	0.0	-52.45	357.84	8.17	-44.28
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CO)CC2CCOCC2)C1	REAL300006778890	0	51	0.0	-46.41	371.54	3.28	-43.13
CC12CCC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)(CO1)C2	REAL300006779089	0	48	0.0	-49.32	358.71	6.28	-43.04
CC12CCC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)(CO1)C2	REAL300006779089	1	48	0.0	-50.14	358.62	6.28	-43.86
O=C([O-])C1CCC[N@H+](CC(=O)NCC23CCC(C(F)(F)F)(CC2)CC3)C1	REAL300006779197	0	53	0.0	-47.71	384.11	9.07	-38.64
O=C([O-])C1CCC[N@@H+](CC(=O)NCC23CCC(C(F)(F)F)(CC2)CC3)C1	REAL300006779197	1	53	0.0	-49.66	385.28	9.50	-40.16
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(C2)OCC2=CC=CC=C23)C1	REAL300006779324	0	52	0.0	-45.30	379.94	9.27	-36.03
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(C2)OCC2=CC=CC=C23)C1	REAL300006779324	1	52	0.0	-48.68	381.46	9.75	-38.93
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300006779458	0	46	0.0	-51.55	360.40	8.88	-42.67
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300006779458	1	46	0.0	-52.26	366.61	8.90	-43.36
CS(=O)(=O)NCC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006779581	0	51	0.0	-56.65	410.42	4.21	-52.44
CS(=O)(=O)NCC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006779581	1	51	0.0	-57.74	416.63	4.24	-53.50
COC1=CC(C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=CC(F)=C1F	REAL300006779689	0	54	0.0	-54.64	412.97	10.35	-44.29
COC1=CC(C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=CC(F)=C1F	REAL300006779689	1	54	0.0	-51.04	406.25	9.89	-41.15
COCCOCC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300006779801	0	52	0.0	-51.96	396.05	5.40	-46.56
COCCOCC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300006779801	1	52	0.0	-49.11	388.56	4.95	-44.16
CN(CC1=CC(F)=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006779921	0	43	0.0	-46.16	335.51	9.46	-36.70
CN(CC1=CC(F)=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006779921	1	43	0.0	-47.17	340.83	9.42	-37.75
COCC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300006780075	0	43	0.0	-49.12	341.10	4.59	-44.53
COCC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300006780075	1	43	0.0	-52.03	347.83	4.63	-47.40
CC(F)(F)C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006780140	0	43	0.0	-44.88	329.89	7.43	-37.45
CC(F)(F)C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006780140	1	43	0.0	-47.14	335.26	7.45	-39.69
COC1=CC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300006780244	0	48	0.0	-50.17	362.69	8.93	-41.24
COC1=CC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300006780244	1	48	0.0	-51.35	362.62	8.94	-42.41
COC1=CC=CC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006780356	0	47	0.0	-48.24	362.76	8.78	-39.46
COC1=CC=CC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006780356	1	47	0.0	-48.55	363.91	8.81	-39.74
CCCCC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006780504	0	55	0.0	-49.23	417.88	11.17	-38.06
CCCCC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006780504	1	55	0.0	-46.08	415.97	10.73	-35.35
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1C[C@@H]2CCCC[C@H]2O1	REAL300006780624	0	51	0.0	-47.19	375.94	7.20	-39.99
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1C[C@@H]2CCCC[C@H]2O1	REAL300006780624	1	51	0.0	-46.64	375.71	7.15	-39.49
CCS(=O)(=O)N(C)CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006780742	0	47	0.0	-56.65	373.47	3.28	-53.37
CCS(=O)(=O)N(C)CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006780742	1	47	0.0	-58.76	376.58	3.34	-55.42
COC1=CC=C(C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1F	REAL300006780866	0	54	0.0	-52.15	406.68	10.30	-41.85
COC1=CC=C(C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1F	REAL300006780866	1	54	0.0	-49.51	400.03	9.83	-39.68
CC(F)(F)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006780968	0	46	0.0	-50.06	343.71	8.85	-41.21
CC(F)(F)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006780968	1	46	0.0	-46.75	336.25	8.38	-38.37
CN(C)S(=O)(=O)CC1(O)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006781079	0	55	0.0	-53.47	412.65	3.59	-49.88
CN(C)S(=O)(=O)CC1(O)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006781079	1	55	0.0	-50.70	404.52	3.16	-47.54
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(O)(C3=CC=C(Cl)C=C3)CC2)C1	REAL300006781193	0	51	0.0	-50.40	393.60	8.44	-41.96
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(O)(C3=CC=C(Cl)C=C3)CC2)C1	REAL300006781193	1	51	0.0	-46.89	386.12	7.99	-38.90
CN(CC1=CC=C(F)C(Br)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006781313	0	43	0.0	-49.47	360.25	10.13	-39.34
CN(CC1=CC=C(F)C(Br)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006781313	1	43	0.0	-52.11	361.42	10.17	-41.94
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006781432	0	56	0.0	-46.97	412.96	9.62	-37.35
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006781432	1	56	0.0	-47.58	407.33	9.67	-37.91
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CC(C(F)(F)F)C2)C1	REAL300006781569	0	43	0.0	-47.72	334.24	6.94	-40.78
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CC(C(F)(F)F)C2)C1	REAL300006781569	1	43	0.0	-51.46	337.14	7.44	-44.02
COC1=CC=CC(C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=C1F	REAL300006781687	0	54	0.0	-53.24	406.06	10.25	-42.99
COC1=CC=CC(C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=C1F	REAL300006781687	1	54	0.0	-49.39	398.58	9.79	-39.60
CC(C)(O)CCC1=CC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300006781807	0	60	0.0	-48.99	445.92	9.85	-39.14
CC(C)(O)CCC1=CC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300006781807	1	60	0.0	-50.15	445.85	9.86	-40.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC(O)=CC(F)=C3C2)C1	REAL300006781926	0	45	0.0	-47.01	343.56	6.80	-40.21
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC(O)=CC(F)=C3C2)C1	REAL300006781926	1	45	0.0	-46.64	342.32	6.37	-40.27
CC(NC(=O)C1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006782947	0	50	0.0	-65.81	388.55	10.81	-55.00
CC1=[NH+]C=C2CCC(C(=O)NC(C)(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)CN12	REAL300006782965	1	48	0.0	-59.59	386.79	10.67	-48.92
C[NH+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783001	0	39	0.0	-57.34	319.14	7.88	-49.46
CC(C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)N1CC[NH+](C)CC1	REAL300006783002	1	51	0.0	-63.55	390.08	7.68	-55.87
C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783026	0	46	0.0	-56.17	361.11	9.51	-46.66
C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783026	1	46	0.0	-53.79	351.74	9.19	-44.60
C[NH+]1CCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300006783055	0	46	0.0	-69.44	363.72	9.60	-59.84
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783076	0	41	0.0	-67.16	349.28	11.46	-55.70
C[N@@H+]1CCCC1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783101	0	43	0.0	-59.76	339.47	8.41	-51.35
C[N@H+]1CCCC1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783101	1	43	0.0	-60.27	339.20	8.39	-51.88
C[NH+]1CCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300006783133	0	46	0.0	-69.44	363.72	9.60	-59.84
CC1=[NH+]C=CN1CCCC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783155	1	47	0.0	-62.97	390.11	10.84	-52.13
C[C@@H](C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[NH+](C)C	REAL300006783159	0	42	0.0	-57.67	336.89	8.33	-49.34
C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783160	0	43	0.0	-51.45	334.93	8.21	-43.24
C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783160	1	43	0.0	-53.95	344.16	8.98	-44.97
C[C@H](C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[NH+](C)C	REAL300006783163	0	42	0.0	-57.62	337.31	8.34	-49.28
CCC(C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[NH+](CC)CC	REAL300006783212	0	51	0.0	-52.28	381.81	9.92	-42.36
C[NH+](C)CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300006783224	0	48	0.0	-74.70	393.07	9.59	-65.11
C[N@@H+]1CCOC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006783226	1	44	0.0	-72.67	356.50	8.04	-64.63
C[N@H+]1CCOC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006783226	1	44	0.0	-51.42	347.13	7.87	-43.55
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783234	1	47	0.0	-52.61	382.39	10.55	-42.06
C[NH+](C)CC1(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300006783241	0	46	0.0	-50.00	372.08	9.19	-40.81
C[NH+](C)CCCCC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783245	0	48	0.0	-70.19	384.51	10.08	-60.11
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783266	1	45	0.0	-55.72	368.37	8.93	-46.79
CCC[N@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783270	0	45	0.0	-55.91	358.37	9.29	-46.62
CCC[N@@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783270	1	45	0.0	-55.94	358.37	9.27	-46.67
C[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCC1	REAL300006783281	0	46	0.0	-52.97	365.36	9.85	-43.12
C[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCC1	REAL300006783281	1	46	0.0	-54.15	365.26	9.84	-44.31
C[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)CC(C)(C)C	REAL300006783293	0	51	0.0	-55.68	387.56	10.31	-45.37
C[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)CC(C)(C)C	REAL300006783293	1	51	0.0	-55.64	389.67	10.45	-45.19
CC[C@@H](C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[NH+](C)C	REAL300006783295	0	45	0.0	-54.53	349.46	8.78	-45.75
C[N@@H+]1CCCC(O)(CC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006783297	0	50	0.0	-63.47	386.59	7.97	-55.50
C[N@H+]1CCCC(O)(CC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006783297	1	50	0.0	-53.54	389.49	7.87	-45.67
CCCCCC[N@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783308	0	54	0.0	-56.83	422.87	11.63	-45.20
CCCCCC[N@@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783308	1	54	0.0	-56.82	422.87	11.62	-45.20
CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783318	1	41	0.0	-74.92	349.55	11.47	-63.45
C[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCSC1	REAL300006783322	0	47	0.0	-59.27	378.49	10.11	-49.16
C[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCSC1	REAL300006783322	1	47	0.0	-61.40	378.48	10.09	-51.31
CC(NC(=O)C1CCCC2CCC[N@@H+]21)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783334	0	50	0.0	-50.62	383.69	10.72	-39.90
CC(NC(=O)C1CCCC2CCC[N@H+]21)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783334	1	50	0.0	-49.57	383.69	10.71	-38.86
C[NH+](C)CCN1C=C(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300006783335	0	49	0.0	-76.48	403.44	9.49	-66.99
C[NH+](C)CCN1C=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300006783354	0	49	0.0	-84.59	403.79	9.48	-75.11
C[NH+](C)CCN1N=CC=C1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783355	0	49	0.0	-55.45	398.78	9.39	-46.06
C[C@@H]1[C@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300006783357	0	46	0.0	-66.82	356.65	9.14	-57.68
C[C@@H]1[C@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@H+]1C	REAL300006783357	1	46	0.0	-62.20	356.23	8.99	-53.21
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783358	1	50	0.0	-58.72	405.10	11.08	-47.64
CC[C@@H]1[C@@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300006783360	0	49	0.0	-66.64	376.19	9.56	-57.08
CC[C@@H]1[C@@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@H+]1C	REAL300006783360	1	49	0.0	-66.00	381.01	9.91	-56.09
CC1C[N@H+](C)CC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300006783364	1	47	0.0	-78.37	370.45	8.36	-70.01
CC1C[N@@H+](C)CC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300006783364	1	47	0.0	-71.42	370.98	8.75	-62.67
CC(NC(=O)C[NH+]1CCCC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783369	0	43	0.0	-55.87	344.63	9.03	-46.84
CC1=[NH+]C=CN1CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783371	1	41	0.0	-53.81	348.57	9.58	-44.23
CC(C[NH+]1CCOCC1)C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783373	1	50	0.0	-62.87	390.44	8.66	-54.21
CC1CC[NH+](CC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300006783390	0	49	0.0	-56.26	382.25	10.36	-45.90
CC[N@@H+]1CCOC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006783397	1	47	0.0	-65.81	367.20	8.47	-57.34
CC[N@H+]1CCOC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006783397	1	47	0.0	-69.94	374.29	8.68	-61.26
C[N@@H+]1CCCC1CCC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783418	0	49	0.0	-68.62	382.70	10.28	-58.34
C[N@H+]1CCCC1CCC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783418	1	49	0.0	-64.97	380.99	9.98	-54.99
CC(NC(=O)C1CCC2CCCC[N@@H+]21)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783426	0	50	0.0	-53.62	387.01	10.87	-42.75
CC(NC(=O)C1CCC2CCCC[N@H+]21)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783426	1	50	0.0	-51.76	380.73	10.31	-41.45
CC[NH+](CC)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783437	0	45	0.0	-55.16	350.70	8.95	-46.21
CC(C)[NH+]1CCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300006783439	0	52	0.0	-65.64	394.38	10.56	-55.08
CC(NC(=O)C12CC[NH+](CC1)C2)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783483	0	44	0.0	-67.23	350.75	8.49	-58.74
CCC(C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[NH+](C)C	REAL300006783486	0	45	0.0	-51.39	348.68	8.78	-42.61
CC(NC(=O)C12CC[N@H+](C1)CCC2)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783492	0	47	0.0	-66.92	360.70	9.15	-57.77
CC(NC(=O)C12CC[N@@H+](C1)CCC2)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783492	1	47	0.0	-65.36	361.25	9.09	-56.27
CC1CCC(C)[NH+]1CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783516	0	49	0.0	-53.09	376.27	9.78	-43.31
C[NH+](C)CC1=CC=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300006783517	0	49	0.0	-71.33	397.32	11.45	-59.88
C#CC[NH+]1CCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300006783547	0	48	0.0	-70.70	388.40	10.74	-59.96
CC(C)[N@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783548	0	45	0.0	-54.04	353.56	9.07	-44.97
CC(C)[N@@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783548	1	45	0.0	-54.03	353.56	9.07	-44.96
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783552	1	50	0.0	-57.70	404.54	11.09	-46.61
CC[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300006783557	0	46	0.0	-52.85	368.80	9.89	-42.96
CC[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300006783557	1	46	0.0	-52.45	364.16	9.62	-42.83
CC(C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCCCC1	REAL300006783570	0	52	0.0	-53.31	388.19	10.34	-42.97
C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783573	0	43	0.0	-55.68	344.95	8.96	-46.72
C[N@H+]1CCC[C@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783573	1	43	0.0	-60.26	339.17	8.40	-51.86
CC(C)(C)[NH2+]CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783609	0	45	0.0	-54.23	358.09	7.66	-46.57
CC(NC(=O)CCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783610	0	52	0.0	-68.27	410.45	11.25	-57.02
C[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1	REAL300006783612	1	49	0.0	-59.41	395.80	11.46	-47.95
C[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1	REAL300006783612	1	49	0.0	-59.35	395.85	11.46	-47.89
C[NH+](C)CC1=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300006783637	1	45	0.0	-75.13	378.24	9.01	-66.12
CC(C)[N@@H+]1CCCC1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783646	0	49	0.0	-59.60	364.35	10.27	-49.33
CC(C)[N@H+]1CCCC1C(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783646	1	49	0.0	-53.85	380.89	10.14	-43.71
C[NH+]1CCC(OCC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300006783656	0	50	0.0	-75.09	399.09	9.68	-65.41
CCC[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006783733	0	52	0.0	-49.77	393.79	10.98	-38.79
CCC[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006783733	1	52	0.0	-53.94	396.61	11.09	-42.85
CC(NC(=O)C[NH+]1CCC(CO)CC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783745	1	50	0.0	-56.10	393.04	7.09	-49.01
CC(C)[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006783840	0	52	0.0	-53.80	391.79	10.85	-42.95
CC(C)[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006783840	1	52	0.0	-49.33	388.92	10.76	-38.57
CC1=C(C)[NH+]=C(CCC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N1	REAL300006783853	1	47	0.0	-58.01	389.38	9.23	-48.78
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006784137	0	46	0.0	-67.68	368.69	9.67	-58.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300006784141	0	52	0.0	-64.90	391.42	10.54	-54.36
CC1=[NH+]C=C2C=CC(C(=O)NC(C)(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=CN12	REAL300006784143	0	44	0.0	-63.74	370.67	11.23	-52.51
CC[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006784173	0	49	0.0	-53.81	375.10	10.34	-43.47
CC[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006784173	1	49	0.0	-62.50	381.36	10.22	-52.28
C[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006784178	0	46	0.0	-49.46	354.59	9.60	-39.86
C[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300006784178	1	46	0.0	-64.91	363.70	9.55	-55.36
C[NH+](C)CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300006784180	1	46	0.0	-76.48	383.69	9.78	-66.70
CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006784187	1	48	0.0	-61.18	377.35	10.58	-50.60
CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006784187	1	48	0.0	-62.78	373.90	11.31	-51.47
CC1=CN2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C(C)C2=N1	REAL300006784245	0	47	0.0	-59.40	349.10	8.66	-50.74
CC1=CN2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C(C)C2=N1	REAL300006784245	1	47	0.0	-51.98	347.78	8.21	-43.77
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(C3CCOC3)=CC=N2)C1	REAL300006784355	1	47	0.0	-53.67	355.45	7.64	-46.03
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(C3CCOC3)=CC=N2)C1	REAL300006784355	1	47	0.0	-53.07	361.57	7.64	-45.43
CC(C)OC1=CC=C(NCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006784521	0	55	0.0	-51.70	420.48	7.17	-44.53
CC(C)OC1=CC=C(NCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006784521	1	55	0.0	-52.30	421.13	7.18	-45.12
COC1=CC=C(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2(C)C)C=C1F	REAL300006784631	0	57	0.0	-49.21	414.99	10.21	-39.00
COC1=CC=C(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2(C)C)C=C1F	REAL300006784631	1	57	0.0	-55.21	415.83	10.67	-44.54
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC(CO)C2)C1	REAL300006784710	0	45	0.0	-48.11	326.86	3.44	-44.67
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC(CO)C2)C1	REAL300006784710	1	45	0.0	-49.43	333.07	3.44	-45.99
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)C1	REAL300006784823	1	45	0.0	-59.84	377.49	9.26	-50.58
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)C1	REAL300006784823	1	45	0.0	-59.07	376.29	9.22	-49.85
C[C@@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC2=CN=CC=C21	REAL300006784932	0	48	0.0	-52.57	370.31	8.65	-43.92
C[C@@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC2=CN=CC=C21	REAL300006784932	1	48	0.0	-53.28	364.84	8.68	-44.60
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006785980	0	50	0.0	-58.56	375.64	10.66	-47.90
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])CC2)=CS1	REAL300006787210	1	49	0.0	-56.99	382.97	8.06	-48.93
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300006787255	0	53	0.0	-66.38	408.40	9.83	-56.55
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300006787260	0	53	0.0	-69.88	409.74	12.57	-57.31
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300006787260	1	53	0.0	-69.04	409.64	12.57	-56.47
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006787371	0	43	0.0	-64.30	344.10	7.72	-56.58
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006787389	0	51	0.0	-62.20	366.58	7.73	-54.47
CC[N@H+](CC1=CC=C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300006787407	0	52	0.0	-65.92	370.89	10.26	-55.66
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300006787407	1	52	0.0	-66.97	373.90	10.35	-56.62
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006787422	0	47	0.0	-57.65	359.19	9.80	-47.85
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006787422	1	47	0.0	-54.82	360.25	9.89	-44.93
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006787423	0	48	0.0	-61.85	354.66	9.08	-52.77
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300006787444	0	51	0.0	-56.73	352.36	7.12	-49.61
CC(C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006787447	0	46	0.0	-51.49	351.40	9.26	-42.23
CC(C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006787447	1	46	0.0	-46.78	349.53	9.06	-37.72
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006787453	0	53	0.0	-47.90	391.80	11.72	-36.18
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006787453	1	53	0.0	-60.65	398.69	11.34	-49.31
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006787488	0	47	0.0	-67.55	357.25	10.07	-57.48
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006787492	0	50	0.0	-65.50	374.61	10.82	-54.68
CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])CC2)CC1	REAL300006787498	0	58	0.0	-56.81	408.62	8.30	-48.51
CC1C[NH+](CC2=CC=C(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300006787504	1	54	0.0	-69.40	408.29	9.92	-59.48
O=C([O-])[C@H]1CCC[C@H]1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006787514	1	51	0.0	-62.25	389.20	9.70	-52.55
O=C([O-])[C@H]1CCC[C@H]1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006787514	1	51	0.0	-63.77	389.18	10.02	-53.75
CC1=C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006787528	1	41	0.0	-75.21	329.69	7.14	-68.07
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006787531	0	50	0.0	-67.49	374.57	10.83	-56.66
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006787541	1	43	0.0	-70.37	339.40	7.67	-62.70
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300006787542	0	46	0.0	-72.39	355.50	9.81	-62.58
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006787545	1	48	0.0	-69.97	370.16	9.44	-60.53
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006787545	1	48	0.0	-52.43	369.39	9.39	-43.04
CC(C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006787553	0	56	0.0	-46.16	412.59	11.57	-34.59
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300006787579	0	46	0.0	-49.03	353.60	9.50	-39.53
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300006787579	1	46	0.0	-49.15	353.61	9.50	-39.65
COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300006787580	0	50	0.0	-52.41	382.57	5.71	-46.70
COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300006787580	1	50	0.0	-58.58	383.61	5.97	-52.61
O=C([O-])[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006787586	0	55	0.0	-60.07	409.15	9.63	-50.44
CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CC1	REAL300006787610	0	51	0.0	-59.33	370.97	6.55	-52.78
CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CC1	REAL300006787610	1	51	0.0	-52.34	366.85	6.52	-45.82
CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CC1	REAL300006787611	0	54	0.0	-59.22	392.47	7.35	-51.87
CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CC1	REAL300006787611	1	54	0.0	-56.08	388.21	7.26	-48.82
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])CC2)=C1	REAL300006787615	0	55	0.0	-54.68	409.06	9.49	-45.19
O=C([O-])[C@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006787616	0	52	0.0	-56.00	387.80	8.89	-47.11
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006787619	0	49	0.0	-54.40	364.09	9.09	-45.31
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006787619	1	49	0.0	-57.43	370.90	8.91	-48.52
CC(C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006787623	1	47	0.0	-46.82	350.35	9.69	-37.13
CC(C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006787623	1	47	0.0	-45.21	349.93	10.04	-35.17
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300006787639	0	50	0.0	-58.31	377.45	10.65	-47.66
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300006787639	1	50	0.0	-64.38	381.75	10.52	-53.86
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006787656	0	50	0.0	-54.19	375.63	10.92	-43.27
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006787656	1	50	0.0	-57.78	382.41	10.74	-47.04
O=C([O-])[C@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006787658	0	51	0.0	-56.64	385.56	8.30	-48.34
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CC1	REAL300006787678	1	50	0.0	-61.62	372.38	8.92	-52.70
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006787679	0	50	0.0	-50.02	360.49	8.99	-41.03
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006787679	1	50	0.0	-49.44	360.08	9.24	-40.20
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=C2)CC1	REAL300006787695	0	52	0.0	-68.06	391.67	8.39	-59.67
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006787696	0	52	0.0	-70.39	391.24	7.99	-62.40
CN1CC[NH+](CC2=CC=C(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006787696	1	52	0.0	-68.10	391.10	8.28	-59.82
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300006787697	0	53	0.0	-66.25	398.11	10.08	-56.17
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006787747	0	54	0.0	-71.39	406.30	8.13	-63.26
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006787749	0	50	0.0	-52.78	376.17	10.65	-42.13
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006787749	1	50	0.0	-53.76	375.96	10.67	-43.09
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=CC=C1N2	REAL300006787827	1	48	0.0	-74.73	367.68	8.97	-65.76
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=CC=C1N2	REAL300006787827	1	48	0.0	-74.56	367.65	8.97	-65.59
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])O1	REAL300006787865	0	46	0.0	-60.62	355.35	8.66	-51.96
CC1=CC=C(N2CCC(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300006787867	1	49	0.0	-63.00	369.44	8.43	-54.57
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006787870	0	55	0.0	-67.62	397.07	9.11	-58.51
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006787877	1	38	0.0	-69.86	314.28	6.60	-63.26
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300006787901	0	50	0.0	-66.52	380.35	10.36	-56.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300006787901	1	50	0.0	-55.76	376.31	10.10	-45.66
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300006787916	0	51	0.0	-69.44	396.97	9.54	-59.90
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006787928	0	47	0.0	-61.36	359.97	9.07	-52.29
C[N@@H+]1CC(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006788162	0	40	0.0	-61.83	318.77	7.25	-54.58
C[N@H+]1CC(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006788162	1	40	0.0	-58.99	304.54	7.30	-51.69
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300006788438	0	46	0.0	-70.44	355.54	9.81	-60.63
C[NH+](C)CCOC1=CC=C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300006788441	0	47	0.0	-68.12	362.83	8.77	-59.35
O=C([O-])[C@H]1CCC[C@H]1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006788499	0	53	0.0	-60.32	394.18	11.01	-49.31
CC1C[N@H+](CC2=CC=C(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300006788501	1	51	0.0	-78.23	381.05	8.94	-69.29
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300006788501	1	51	0.0	-78.93	387.77	8.97	-69.96
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)CCCC(=O)[O-]	REAL300006788604	0	59	0.0	-74.93	451.91	9.05	-65.88
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)CC(C)CC(=O)[O-]	REAL300006788605	0	62	0.0	-84.63	465.23	9.53	-75.10
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)COCC(=O)[O-]	REAL300006788606	0	57	0.0	-83.13	450.14	8.12	-75.01
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006788607	0	60	0.0	-57.37	441.02	9.76	-47.61
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006788608	0	60	0.0	-57.37	441.02	9.76	-47.61
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300006788609	0	57	0.0	-63.87	419.13	10.68	-53.19
CCC(C(=O)[O-])C(=O)NC(CC1=CC=CC=C1)C[NH+](CCOC)CCOC	REAL300006788610	0	59	0.0	-45.13	419.51	9.81	-35.32
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)C(C(=O)[O-])C(C)C	REAL300006788611	0	62	0.0	-48.66	447.60	10.59	-38.07
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300006788612	0	57	0.0	-67.98	438.93	8.78	-59.20
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300006788613	0	60	0.0	-83.56	439.19	10.64	-72.92
CCCC(C(=O)[O-])C(=O)NC(CC1=CC=CC=C1)C[NH+](CCOC)CCOC	REAL300006788614	0	62	0.0	-57.79	470.08	9.62	-48.17
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)C(OC)C(=O)[O-]	REAL300006788615	0	57	0.0	-52.52	435.85	7.93	-44.59
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300006788616	0	60	0.0	-68.73	453.31	9.78	-58.95
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)C(C)C(=O)[O-]	REAL300006788617	0	56	0.0	-68.97	401.07	10.00	-58.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(CCO)CCCSC2)C1	REAL300006788682	0	48	0.0	-48.62	355.68	5.41	-43.21
O=C([O-])C1CCC[N@H+](CC(=O)NC2(CCO)CCCSC2)C1	REAL300006788682	1	48	0.0	-51.93	349.33	5.36	-46.57
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006789798	0	50	0.0	-84.73	378.85	11.93	-72.80
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006791134	0	44	0.0	-78.53	325.21	9.38	-69.15
CC1=[NH+]C=C2CCC(C(=O)N3CCC(F)(F)CC3C(=O)[O-])CN12	REAL300006791162	1	42	0.0	-69.18	324.45	9.39	-59.79
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(F)(F)CC3C(=O)[O-])CC2)=CS1	REAL300006791228	1	49	0.0	-85.51	386.61	9.75	-75.76
CC(C(=O)N1CCC(F)(F)CC1C(=O)[O-])N1CC[NH+](C)CC1	REAL300006791229	1	45	0.0	-71.25	324.93	6.03	-65.22
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300006791301	0	53	0.0	-85.20	412.30	11.45	-73.75
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006791358	0	35	0.0	-81.53	290.62	9.93	-71.60
C[NH+](C)CC1(C(=O)N2CCC(F)(F)CC2C(=O)[O-])CCCCC1	REAL300006791384	0	49	0.0	-67.47	322.38	9.74	-57.73
C[N@H+](CCC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1CCCCC1	REAL300006791388	0	49	0.0	-75.57	357.26	10.59	-64.98
C[N@@H+](CCC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1CCCCC1	REAL300006791388	1	49	0.0	-75.44	357.27	10.57	-64.87
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006791448	0	43	0.0	-74.32	354.24	9.63	-64.69
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006791464	0	51	0.0	-87.34	369.76	9.07	-78.27
CC1=[NH+]C=CN1CCCC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791491	1	41	0.0	-74.35	329.89	9.80	-64.55
O=C([O-])C1CC(F)(F)CCN1C(=O)CCCC[NH+]1CCOCC1	REAL300006791492	1	47	0.0	-82.44	357.09	8.57	-73.87
CC[N@H+](CC1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1)C(C)C	REAL300006791493	0	52	0.0	-86.40	384.47	11.85	-74.55
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1)C(C)C	REAL300006791493	1	52	0.0	-88.59	378.87	11.47	-77.12
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006791512	0	47	0.0	-73.71	360.04	11.23	-62.48
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006791512	1	47	0.0	-75.58	359.09	11.16	-64.42
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006791513	0	48	0.0	-86.87	361.64	10.70	-76.17
O=C([O-])C1CC(F)(F)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006791541	0	51	0.0	-75.97	355.52	8.52	-67.45
CCC(C(=O)N1CCC(F)(F)CC1C(=O)[O-])[NH+](CC)CC	REAL300006791545	0	45	0.0	-66.27	319.94	9.02	-57.25
CC(C(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006791547	0	46	0.0	-68.18	351.23	10.58	-57.60
CC(C(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006791547	1	46	0.0	-67.45	351.86	10.61	-56.84
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006791555	0	53	0.0	-78.45	401.82	12.82	-65.63
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006791555	1	53	0.0	-78.71	401.13	12.83	-65.88
C[NH+](C)CC1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C=N1	REAL300006791569	0	42	0.0	-87.20	331.95	8.59	-78.61
CCC[NH+](CCC)CCCC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791577	0	51	0.0	-75.55	380.27	11.02	-64.53
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791585	1	41	0.0	-63.85	324.60	9.60	-54.25
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006791600	0	47	0.0	-75.00	366.23	11.55	-63.45
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006791605	0	50	0.0	-88.48	381.05	12.11	-76.37
CCN1CCC([NH+]2CCC(C(=O)N3CCC(F)(F)CC3C(=O)[O-])CC2)CC1	REAL300006791610	0	58	0.0	-82.55	410.15	9.60	-72.95
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(F)(F)CC3C(=O)[O-])C=C2)CC(C)O1	REAL300006791616	1	54	0.0	-93.96	415.51	11.11	-82.85
O=C([O-])C1CC(F)(F)CCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006791627	1	51	0.0	-86.34	393.12	11.05	-75.29
O=C([O-])C1CC(F)(F)CCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006791627	1	51	0.0	-90.05	386.40	11.06	-78.99
CC1=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006791643	1	41	0.0	-85.16	331.18	8.41	-76.75
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006791646	0	50	0.0	-75.36	382.97	12.26	-63.10
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006791657	1	43	0.0	-81.41	339.15	9.29	-72.12
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300006791658	0	46	0.0	-95.84	355.65	10.96	-84.88
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791664	1	39	0.0	-63.09	310.47	7.24	-55.85
O=C([O-])C1CC(F)(F)CCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006791665	1	48	0.0	-74.62	360.52	9.93	-64.69
O=C([O-])C1CC(F)(F)CCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006791665	1	48	0.0	-88.42	368.14	10.20	-78.22
CC(C(=O)N1CCC(F)(F)CC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006791674	0	56	0.0	-64.26	414.85	13.16	-51.10
CC(C(=O)N1CCC(F)(F)CC1C(=O)[O-])[NH+]1CCSCC1	REAL300006791706	1	41	0.0	-64.96	313.61	8.56	-56.40
C[N@H+](CC(=O)N1CCC(F)(F)CC1C(=O)[O-])CC(C)(C)C	REAL300006791712	0	45	0.0	-66.03	327.52	9.15	-56.88
C[N@@H+](CC(=O)N1CCC(F)(F)CC1C(=O)[O-])CC(C)(C)C	REAL300006791712	1	45	0.0	-64.73	329.75	9.36	-55.37
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791714	0	46	0.0	-68.55	358.02	11.18	-57.37
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791714	1	46	0.0	-69.15	357.98	11.22	-57.93
COCCOCC[N@H+](C)CCC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791715	0	50	0.0	-73.22	386.42	7.49	-65.73
COCCOCC[N@@H+](C)CCC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791715	1	50	0.0	-76.14	387.00	7.61	-68.53
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006791718	0	44	0.0	-74.37	326.22	6.80	-67.57
C[N@H+]1CCCC(O)(CC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006791718	1	44	0.0	-75.00	316.48	6.59	-68.41
O=C([O-])C1CC(F)(F)CCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006791726	0	55	0.0	-81.01	413.14	11.12	-69.89
CCCCCC[N@H+](C)CC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791728	0	48	0.0	-68.31	362.57	10.54	-57.77
CCCCCC[N@@H+](C)CC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791728	1	48	0.0	-67.71	362.60	10.50	-57.21
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006791741	1	35	0.0	-84.51	290.43	10.02	-74.49
C[N@H+](CC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1CCSC1	REAL300006791757	0	41	0.0	-69.89	318.40	8.98	-60.91
C[N@@H+](CC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1CCSC1	REAL300006791757	1	41	0.0	-69.12	318.12	9.04	-60.08
CC(C)[NH+]1CCN(CCC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006791770	0	51	0.0	-78.98	374.19	8.15	-70.83
CC(C)N1CC[NH+](CCC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006791770	1	51	0.0	-74.06	371.02	8.00	-66.06
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006791771	0	54	0.0	-76.60	390.59	8.59	-68.01
CC(C)N1CC[NH+](CCCC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006791771	1	54	0.0	-77.13	392.01	8.75	-68.38
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300006791772	0	44	0.0	-33.24	311.54	8.05	-25.19
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300006791772	1	44	0.0	-60.90	324.77	9.55	-51.35
C[NH+](C)CCN1C=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C=N1	REAL300006791774	0	43	0.0	-86.41	340.04	8.12	-78.29
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(F)(F)CC3C(=O)[O-])CC2)=C1	REAL300006791777	0	55	0.0	-77.69	413.05	10.99	-66.70
O=C([O-])C1CC(F)(F)CCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006791779	0	52	0.0	-77.87	391.65	10.34	-67.53
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006791781	0	49	0.0	-70.26	364.69	9.93	-60.33
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006791781	1	49	0.0	-71.16	364.26	10.13	-61.03
CC(C(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006791786	1	47	0.0	-66.91	354.13	10.94	-55.97
CC(C(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006791786	1	47	0.0	-66.97	351.57	10.95	-56.02
O=C([O-])C1CC(F)(F)CCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006791808	0	50	0.0	-82.15	383.94	12.15	-70.00
O=C([O-])C1CC(F)(F)CCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006791808	1	50	0.0	-81.87	384.26	12.08	-69.79
C[NH+](C)CCN1C=CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300006791822	0	43	0.0	-98.15	340.37	8.70	-89.45
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791823	0	43	0.0	-60.43	336.03	8.14	-52.29
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791824	1	44	0.0	-69.15	344.81	10.06	-59.09
CC[C@@H]1[C@@H](C(=O)N2CCC(F)(F)CC2C(=O)[O-])CC[N@@H+]1C	REAL300006791827	0	43	0.0	-75.70	315.74	8.30	-67.40
CC[C@@H]1[C@@H](C(=O)N2CCC(F)(F)CC2C(=O)[O-])CC[N@H+]1C	REAL300006791827	1	43	0.0	-73.99	314.19	8.81	-65.18
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])=NN1	REAL300006791830	1	44	0.0	-85.79	340.99	8.03	-77.76
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])=NN1	REAL300006791830	1	44	0.0	-85.66	341.97	8.30	-77.36
CC1C[N@H+](C)CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])O1	REAL300006791836	1	41	0.0	-89.71	305.90	7.37	-82.34
CC1C[N@@H+](C)CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])O1	REAL300006791836	1	41	0.0	-90.92	313.26	7.42	-83.50
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006791840	0	50	0.0	-70.55	376.17	11.76	-58.79
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006791840	1	50	0.0	-63.78	375.73	11.96	-51.82
CC(C[NH+]1CCOCC1)C(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791845	1	44	0.0	-73.76	329.49	7.26	-66.50
O=C([O-])C1CC(F)(F)CCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006791846	0	51	0.0	-76.55	389.40	9.75	-66.80
CC1CC[NH+](CC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006791855	0	43	0.0	-67.93	321.43	9.27	-58.66
CC[N@@H+]1CCOC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006791868	1	41	0.0	-71.45	302.87	7.06	-64.39
CC[N@H+]1CCOC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006791868	1	41	0.0	-71.27	302.96	7.07	-64.20
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006791900	0	50	0.0	-72.06	360.19	10.57	-61.49
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006791900	1	50	0.0	-73.02	361.48	10.65	-62.37
C[N@@H+]1CCCC1CCC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791906	0	43	0.0	-81.51	326.15	9.47	-72.04
C[N@H+]1CCCC1CCC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006791906	1	43	0.0	-80.19	322.61	9.24	-70.95
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300006791917	0	44	0.0	-63.85	323.32	9.62	-54.23
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300006791917	1	44	0.0	-63.91	323.70	9.61	-54.30
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(F)(F)CC3C(=O)[O-])=C2)CC1	REAL300006791931	0	52	0.0	-82.46	398.06	9.68	-72.78
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(F)(F)CC3C(=O)[O-])C=C2)CC1	REAL300006791932	0	52	0.0	-88.88	399.24	9.66	-79.22
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(F)(F)CC3C(=O)[O-])C=C2)CC1	REAL300006791932	1	52	0.0	-94.33	391.25	9.42	-84.91
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300006791933	0	53	0.0	-79.40	400.95	10.63	-68.77
CC(C)[NH+]1CCC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006791941	0	46	0.0	-80.19	334.19	9.52	-70.67
O=C([O-])C1CC(F)(F)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300006792011	0	41	0.0	-78.18	293.00	7.81	-70.37
O=C([O-])C1CC(F)(F)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300006792011	1	41	0.0	-89.04	290.04	7.67	-81.37
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006792045	0	54	0.0	-77.30	414.66	9.57	-67.73
CC1CCC(C)[NH+]1CC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006792051	0	43	0.0	-62.21	315.07	8.57	-53.64
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])=C1	REAL300006792052	0	43	0.0	-89.21	339.41	10.24	-78.97
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006792053	0	50	0.0	-64.43	371.63	12.03	-52.40
O=C([O-])C1CC(F)(F)CCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006792053	1	50	0.0	-64.69	369.17	11.88	-52.81
C#CC[NH+]1CCC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006792102	0	42	0.0	-83.11	327.83	9.62	-73.49
CC[NH+]1CCN(CCC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006792104	0	48	0.0	-80.68	357.45	7.64	-73.04
CCN1CC[NH+](CCC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006792104	1	48	0.0	-74.33	356.95	7.60	-66.73
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006792111	1	44	0.0	-67.94	344.31	10.13	-57.81
CC(C(=O)N1CCC(F)(F)CC1C(=O)[O-])[NH+]1CCCCCC1	REAL300006792142	0	46	0.0	-60.61	322.69	8.97	-51.64
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(F)(F)CC3C(=O)[O-])=CC=C1N2	REAL300006792175	1	48	0.0	-94.33	374.63	10.65	-83.68
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(F)(F)CC3C(=O)[O-])=CC=C1N2	REAL300006792175	1	48	0.0	-88.92	376.90	10.73	-78.19
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])O1	REAL300006792219	0	46	0.0	-84.69	354.33	9.81	-74.88
O=C([O-])C1CC(F)(F)CCN1C(=O)CCCC[NH+]1CCCC1	REAL300006792220	0	46	0.0	-79.44	350.17	10.29	-69.15
CC1=CC=C(N2CCC(C(=O)N3CCC(F)(F)CC3C(=O)[O-])CC2)[NH+]=C1	REAL300006792222	1	49	0.0	-80.51	372.14	9.84	-70.67
C[N@H+](CC(=O)N1CCC(F)(F)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300006792223	1	43	0.0	-71.35	335.51	10.38	-60.97
C[N@@H+](CC(=O)N1CCC(F)(F)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300006792223	1	43	0.0	-70.63	335.59	10.33	-60.30
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(F)(F)CC3C(=O)[O-])C=C2)CC1	REAL300006792227	0	55	0.0	-94.05	401.17	10.48	-83.57
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006792242	1	38	0.0	-82.91	315.83	8.12	-74.79
C[NH+](C)CC1=CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])=NO1	REAL300006792266	1	39	0.0	-83.26	313.67	8.15	-75.11
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006792270	0	50	0.0	-71.47	375.08	11.65	-59.82
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006792270	1	50	0.0	-82.70	379.97	11.75	-70.95
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006792288	0	43	0.0	-64.31	317.48	8.83	-55.48
CC(C)[N@H+]1CCCC1C(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300006792288	1	43	0.0	-64.93	312.97	8.66	-56.27
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300006792295	0	51	0.0	-90.68	399.37	11.17	-79.51
C[NH+]1CCC(OCC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006792308	0	44	0.0	-87.44	338.78	8.59	-78.85
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006792314	0	47	0.0	-87.81	360.57	10.39	-77.42
CCC[N@@H+]1CCCC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006792460	0	46	0.0	-74.90	342.11	9.86	-65.04
CCC[N@H+]1CCCC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006792460	1	46	0.0	-73.68	340.34	9.71	-63.97
O=C([O-])C1CC(F)(F)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006792488	0	44	0.0	-67.51	332.26	5.96	-61.55
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006792673	0	46	0.0	-59.82	327.10	9.49	-50.33
CC(C)[N@H+]1CCCC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006792673	1	46	0.0	-59.76	326.83	9.49	-50.27
C[N@@H+]1CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C(C(F)(F)F)C1	REAL300006792674	0	40	0.0	-84.16	319.12	8.37	-75.79
C[N@H+]1CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C(C(F)(F)F)C1	REAL300006792674	1	40	0.0	-75.77	309.97	8.06	-67.71
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(F)(F)CC2C(=O)[O-])N1	REAL300006792697	1	41	0.0	-68.77	329.09	8.27	-60.50
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])=C1	REAL300006793093	0	46	0.0	-95.30	361.95	11.09	-84.21
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300006793101	0	47	0.0	-76.27	371.13	10.20	-66.07
O=C([O-])C1CC(F)(F)CCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006793194	0	53	0.0	-77.78	398.55	12.80	-64.98
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(F)(F)CC3C(=O)[O-])C=C2)CCO1	REAL300006793196	1	51	0.0	-96.01	387.25	10.32	-85.69
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(F)(F)CC3C(=O)[O-])C=C2)CCO1	REAL300006793196	1	51	0.0	-77.39	395.57	10.60	-66.79
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300006793226	0	46	0.0	-64.92	327.69	9.24	-55.68
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(F)(F)CC3C(=O)[O-])=CN12	REAL300006793230	0	38	0.0	-74.36	307.51	9.83	-64.53
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006793280	0	49	0.0	-73.26	356.92	10.29	-62.97
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006793280	1	49	0.0	-60.82	349.08	10.39	-50.43
CC[N@@H+]1CCCC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006793281	0	43	0.0	-74.48	320.74	9.13	-65.35
CC[N@H+]1CCCC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300006793281	1	43	0.0	-59.51	310.09	8.95	-50.56
C[NH+](C)CC1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])O1	REAL300006793287	1	40	0.0	-89.35	319.02	8.52	-80.83
O=C([O-])C1CC(F)(F)CCN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006793295	0	42	0.0	-73.59	318.38	9.33	-64.26
O=C([O-])C1CC(F)(F)CCN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006793295	1	42	0.0	-69.79	305.05	9.00	-60.79
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=CC=C3C2C2=CC=CN=C2)C1	REAL300006793384	0	53	0.0	-47.48	393.78	10.87	-36.61
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=CC=C3C2C2=CC=CN=C2)C1	REAL300006793384	1	53	0.0	-52.93	395.00	11.31	-41.62
O=C([O-])C1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793419	0	42	0.0	-75.47	324.26	5.54	-69.93
O=C([O-])COC1=CC=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793420	0	46	0.0	-80.04	362.44	6.29	-73.75
O=C([O-])C1=CC=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793421	0	42	0.0	-81.89	331.74	6.06	-75.83
O=C([O-])C1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)S1	REAL300006793422	1	39	0.0	-67.27	325.80	5.20	-62.07
O=C([O-])C1=CC=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=N1	REAL300006793423	0	41	0.0	-62.03	329.48	4.28	-57.75
CCOC1=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=CC=C1OCC(=O)[O-]	REAL300006793424	0	53	0.0	-79.76	413.83	7.02	-72.74
O=C([O-])C1=CC=C(CCC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793425	0	48	0.0	-80.03	369.65	7.01	-73.02
O=C([O-])C1=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=CC=N1	REAL300006793426	0	41	0.0	-84.80	327.83	4.31	-80.49
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793427	0	46	0.0	-78.93	365.91	7.20	-71.73
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793428	0	50	0.0	-76.61	402.30	1.91	-74.70
O=C([O-])C1=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=CC([N+](=O)[O-])=C1	REAL300006793429	0	44	0.0	-74.58	359.55	6.68	-67.90
O=C([O-])C1=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=CC([N+](=O)[O-])=C1	REAL300006793430	0	44	0.0	-74.58	359.55	6.68	-67.90
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793431	0	52	0.0	-81.45	399.21	7.10	-74.35
O=C([O-])C1=CC=CC=C1CCC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793432	0	48	0.0	-63.06	360.78	6.76	-56.30
CC1=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=CC(C)=C1OCC(=O)[O-]	REAL300006793433	0	52	0.0	-77.72	398.67	7.34	-70.38
O=C([O-])C1=CC(CC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=CC=C1	REAL300006793434	0	45	0.0	-79.33	348.26	6.20	-73.13
O=C([O-])C1CCCC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C1	REAL300006793435	0	48	0.0	-81.85	343.86	5.60	-76.25
O=C([O-])C1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=N1	REAL300006793436	0	41	0.0	-74.88	327.26	4.25	-70.63
O=C([O-])C1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)N=C1	REAL300006793437	0	41	0.0	-64.94	328.79	4.29	-60.65
O=C([O-])C1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C(F)=C1	REAL300006793438	0	42	0.0	-74.37	335.91	6.10	-68.27
O=C([O-])C1=CN=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=N1	REAL300006793439	0	40	0.0	-67.78	324.34	2.42	-65.36
O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)CC1	REAL300006793440	0	48	0.0	-73.42	356.16	6.22	-67.20
O=C([O-])C1CCC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)CC1	REAL300006793441	0	48	0.0	-80.54	341.85	5.56	-74.98
O=C([O-])C1=CC=C(CC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793442	0	45	0.0	-85.54	348.29	6.21	-79.33
O=C([O-])C1=CN(CC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)N=N1	REAL300006793443	0	41	0.0	-85.85	325.70	2.20	-83.65
CC1=NC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=CC=C1C(=O)[O-]	REAL300006793444	0	44	0.0	-64.95	345.05	4.81	-60.14
O=C([O-])C1=CC(Br)=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793445	0	42	0.0	-75.38	352.67	6.62	-68.76
O=C([O-])C1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793446	0	42	0.0	-75.47	324.26	5.54	-69.93
O=C([O-])CC1=CC=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793447	0	45	0.0	-74.10	353.93	6.82	-67.28
O=C([O-])CC1=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=CO1	REAL300006793448	0	42	0.0	-74.77	334.19	4.98	-69.79
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793449	0	45	0.0	-67.97	360.67	5.56	-62.41
O=C([O-])C1=CC=NC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793450	0	41	0.0	-70.70	328.96	4.29	-66.41
O=C(CC1CCC(C(=O)[O-])CC1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793451	0	51	0.0	-65.92	360.03	6.20	-59.72
O=C([O-])C1=C2N=CC=C(C(=O)N[C@@H]3COC[C@H]3[NH+]3CCCC3)N2N=C1	REAL300006793452	0	44	0.0	-76.56	353.60	5.37	-71.19
O=C([O-])CC1=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)NC2=CC=CC=C21	REAL300006793453	0	49	0.0	-80.52	383.54	6.72	-73.80
O=C([O-])C1=CC=C2CCCC(CC(=O)N[C@@H]3COC[C@H]3[NH+]3CCCC3)C2=C1	REAL300006793454	0	55	0.0	-76.29	402.49	8.42	-67.87
CC1=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C(C(=O)[O-])O1	REAL300006793455	0	42	0.0	-67.61	334.49	5.16	-62.45
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793456	0	42	0.0	-63.29	335.72	5.00	-58.29
O=C([O-])C1=CN(CC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)N=C1	REAL300006793457	0	42	0.0	-82.23	330.63	3.69	-78.54
O=C([O-])C=CC1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)O1	REAL300006793458	0	43	0.0	-67.16	350.94	5.61	-61.55
O=C([O-])COC1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793459	0	46	0.0	-75.10	355.27	5.83	-69.27
O=C([O-])CSCCC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793460	0	42	0.0	-72.16	333.41	4.71	-67.45
O=C([O-])C1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)N=C1	REAL300006793461	0	41	0.0	-64.94	328.79	4.29	-60.65
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793462	0	42	0.0	-73.20	333.21	3.71	-69.49
C[C@@H]1C[C@H](C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)O[C@H]1C(=O)[O-]	REAL300006793463	0	46	0.0	-82.15	345.90	5.02	-77.13
O=C([O-])CC1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793464	0	45	0.0	-73.04	345.76	6.28	-66.76
O=C([O-])C=CC1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793465	0	46	0.0	-77.09	356.34	6.83	-70.26
O=C(C=CC1=CC(C(=O)[O-])=CO1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793466	0	43	0.0	-74.52	350.45	5.47	-69.05
O=C([O-])C1=C(COCC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)OC=N1	REAL300006793467	0	45	0.0	-85.22	356.36	1.25	-83.97
O=C(C=CC1=CC=C(C(=O)[O-])O1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793468	0	43	0.0	-70.93	351.99	5.84	-65.09
CC1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1C(=O)[O-]	REAL300006793469	0	45	0.0	-81.09	347.72	6.60	-74.49
O=C([O-])C1=CN=CC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793470	0	41	0.0	-75.36	326.99	4.25	-71.11
CC1=NC=C(C(=O)[O-])C=C1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793471	0	44	0.0	-62.69	342.80	4.88	-57.81
O=C([O-])C1=NN(CC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793472	0	42	0.0	-89.43	329.69	3.70	-85.73
O=C([O-])C1=NN(CCCC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793473	0	48	0.0	-91.34	373.26	5.06	-86.28
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)O1	REAL300006793474	0	49	0.0	-80.17	375.33	5.97	-74.20
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793475	0	49	0.0	-72.10	365.50	4.32	-67.78
CC1=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)OC(C(=O)[O-])=C1	REAL300006793476	0	42	0.0	-63.42	335.63	5.10	-58.32
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793477	0	50	0.0	-56.36	346.01	6.74	-49.62
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793478	0	48	0.0	-77.69	347.38	6.54	-71.15
O=C(CN1CCCC(C(=O)[O-])C1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793479	0	50	0.0	-73.55	363.40	3.58	-69.97
O=C([O-])CC1=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)NC2=CC=CC=C21	REAL300006793480	0	49	0.0	-80.52	383.54	6.72	-73.80
O=C([O-])C1=CN(CC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C2=CC=CC=C12	REAL300006793481	0	49	0.0	-91.08	381.61	7.64	-83.44
O=C([O-])C1CC12CC(C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)C2	REAL300006793482	0	46	0.0	-68.32	346.31	5.89	-62.43
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793483	0	48	0.0	-78.61	355.92	6.31	-72.30
CC1=CC=C(C(=O)[O-])C=C1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793484	0	45	0.0	-64.08	347.38	6.70	-57.38
CC1=C(C(=O)[O-])C=NC=C1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793485	0	44	0.0	-74.19	337.00	4.79	-69.40
CC1=CC(C(=O)[O-])=CC=C1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793486	0	45	0.0	-75.30	347.41	6.71	-68.59
O=C([O-])C1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C(Cl)=C1	REAL300006793487	0	42	0.0	-73.32	343.87	6.53	-66.79
O=C([O-])C1CC2(C1)CC(C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)C2	REAL300006793488	0	49	0.0	-76.77	362.34	6.29	-70.48
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793489	0	45	0.0	-60.10	359.23	3.61	-56.49
CN1C(C(=O)[O-])=CC=C1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793490	0	43	0.0	-74.18	334.26	5.27	-68.91
O=C([O-])CCC1=CC=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1	REAL300006793491	0	48	0.0	-74.65	367.15	7.09	-67.56
O=C([O-])C1C(F)(F)C12CC(C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)C2	REAL300006793492	0	46	0.0	-80.73	357.31	6.00	-74.73
O=C([O-])C1=NC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=CS1	REAL300006793493	0	38	0.0	-59.55	321.05	3.17	-56.38
CC1=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C(C(=O)[O-])S1	REAL300006793494	0	42	0.0	-64.62	340.62	5.86	-58.76
O=C([O-])C1=CC2=C(S1)SC(C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)=C2	REAL300006793495	1	42	0.0	-75.45	361.19	6.61	-68.84
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793496	0	46	0.0	-75.64	369.05	5.71	-69.93
O=C([O-])C1=C2C=C(C(=O)N[C@@H]3COC[C@H]3[NH+]3CCCC3)SC2=CC=C1	REAL300006793497	1	45	0.0	-80.27	366.53	7.29	-72.98
O=C([O-])C1=NC=CC=C1CCC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793498	0	47	0.0	-69.14	357.10	4.98	-64.16
O=C(/C=C/C1=CC=C(C(=O)[O-])C=C1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793499	0	46	0.0	-78.97	365.88	7.20	-71.77
O=C([O-])C1=CSC2=C1NC(C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)=C2	REAL300006793500	0	43	0.0	-65.68	356.92	5.07	-60.61
O=C([O-])C1=CC2=C(C=C(C(=O)N[C@@H]3COC[C@H]3[NH+]3CCCC3)N2)S1	REAL300006793501	0	43	0.0	-76.72	356.75	5.17	-71.55
O=C([O-])C1=COC2=C1NC(C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)=C2	REAL300006793502	0	43	0.0	-67.38	347.91	4.18	-63.20
CC1=C(C(=O)[O-])C=CC=C1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793503	0	45	0.0	-79.91	341.98	6.61	-73.30
O=C(C=CC1=CC=C(C(=O)[O-])N=C1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793504	0	45	0.0	-80.45	361.66	5.42	-75.03
O=C([O-])C1=CSC(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793505	0	39	0.0	-77.32	324.58	5.04	-72.28
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793506	0	47	0.0	-52.98	349.45	4.61	-48.37
O=C([O-])C1=CC=CC2=C(C(=O)N[C@@H]3COC[C@H]3[NH+]3CCCC3)C=CC=C12	REAL300006793507	0	48	0.0	-81.35	367.38	8.10	-73.25
CC(C)[C@]1(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C[C@H]1C(=O)[O-]	REAL300006793508	0	48	0.0	-68.06	361.13	6.01	-62.05
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300006793509	0	48	0.0	-86.68	365.36	6.71	-79.97
O=C([O-])C1=CSC(CC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)=C1	REAL300006793510	0	42	0.0	-83.71	340.09	5.36	-78.35
O=C([O-])C1=CC=C(CC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)C=C1F	REAL300006793511	0	45	0.0	-88.99	352.80	6.24	-82.75
O=C([O-])C1=C2CCCCC2=C(C(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)S1	REAL300006793512	0	49	0.0	-68.69	380.40	7.54	-61.15
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CNC3=CC(F)=CC(F)=C23)C1	REAL300006793620	0	47	0.0	-49.85	374.12	7.89	-41.96
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CNC3=CC(F)=CC(F)=C23)C1	REAL300006793620	1	47	0.0	-51.75	376.04	8.34	-43.41
O=C([O-])C1N(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCC1(F)F	REAL300006794750	0	47	0.0	-87.15	368.05	10.76	-76.39
O=C([O-])C1N(C(=O)C2CC[NH+](C3CC3)CC2)CCC1(F)F	REAL300006796068	0	41	0.0	-82.00	322.20	8.69	-73.31
CC1=[NH+]C=C2CCC(C(=O)N3CCC(F)(F)C3C(=O)[O-])CN12	REAL300006796087	1	39	0.0	-70.43	318.69	8.02	-62.41
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(F)(F)C3C(=O)[O-])CC2)=CS1	REAL300006796146	1	46	0.0	-82.73	375.35	8.83	-73.90
CC(C(=O)N1CCC(F)(F)C1C(=O)[O-])N1CC[NH+](C)CC1	REAL300006796147	1	42	0.0	-77.84	323.95	5.63	-72.21
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300006796217	0	50	0.0	-87.14	402.63	10.26	-76.88
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300006796223	0	50	0.0	-65.72	394.48	11.90	-53.82
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300006796223	1	50	0.0	-64.29	394.39	11.90	-52.39
C[NH+](C)CC1(C(=O)N2CCC(F)(F)C2C(=O)[O-])CCCCC1	REAL300006796293	0	46	0.0	-63.98	317.91	7.88	-56.10
C[N@H+](CCC(=O)N1CCC(F)(F)C1C(=O)[O-])C1CCCCC1	REAL300006796295	0	46	0.0	-77.83	348.26	9.01	-68.82
C[N@@H+](CCC(=O)N1CCC(F)(F)C1C(=O)[O-])C1CCCCC1	REAL300006796295	1	46	0.0	-76.85	347.00	9.10	-67.75
O=C([O-])C1N(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCC1(F)F	REAL300006796360	0	40	0.0	-86.83	334.71	7.55	-79.28
O=C([O-])C1N(C(=O)C2CCC([NH+]3CCOCC3)CC2)CCC1(F)F	REAL300006796378	0	48	0.0	-89.58	359.21	7.84	-81.74
CC1=[NH+]C=CN1CCCC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796404	1	38	0.0	-75.71	319.53	8.42	-67.29
O=C([O-])C1N(C(=O)CCCC[NH+]2CCOCC2)CCC1(F)F	REAL300006796405	1	44	0.0	-84.47	346.84	7.09	-77.38
CC[N@H+](CC1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1)C(C)C	REAL300006796406	0	49	0.0	-87.93	370.71	10.41	-77.52
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1)C(C)C	REAL300006796406	1	49	0.0	-88.01	362.27	9.97	-78.04
O=C([O-])C1N(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300006796424	0	44	0.0	-76.85	351.77	9.82	-67.03
O=C([O-])C1N(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300006796424	1	44	0.0	-76.86	349.32	9.78	-67.08
O=C([O-])C1N(C(=O)C2CC[NH+](C3CCSC3)CC2)CCC1(F)F	REAL300006796425	0	45	0.0	-84.90	344.00	8.84	-76.06
O=C([O-])C1N(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCC1(F)F	REAL300006796453	0	48	0.0	-79.12	346.61	7.27	-71.85
CC(C(=O)N1CCC(F)(F)C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006796456	0	43	0.0	-73.49	342.07	9.43	-64.06
CC(C(=O)N1CCC(F)(F)C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006796456	1	43	0.0	-73.77	342.12	9.45	-64.32
O=C([O-])C1N(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCC1(F)F	REAL300006796464	0	50	0.0	-80.73	390.84	11.81	-68.92
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCC1(F)F	REAL300006796464	1	50	0.0	-77.20	380.62	11.62	-65.58
C[NH+](C)CC1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])C=N1	REAL300006796481	0	39	0.0	-88.26	320.44	6.94	-81.32
CCC[NH+](CCC)CCCC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796488	0	48	0.0	-79.49	366.66	9.42	-70.07
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796495	1	38	0.0	-66.97	314.33	8.20	-58.77
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCC1(F)F	REAL300006796508	0	44	0.0	-91.43	347.52	9.91	-81.52
O=C([O-])C1N(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCC1(F)F	REAL300006796513	0	47	0.0	-82.39	366.24	10.31	-72.08
CCN1CCC([NH+]2CCC(C(=O)N3CCC(F)(F)C3C(=O)[O-])CC2)CC1	REAL300006796519	0	55	0.0	-85.18	402.08	8.53	-76.65
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CC(C)O1	REAL300006796526	1	51	0.0	-61.15	398.95	9.28	-51.87
O=C([O-])C1N(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CCC1(F)F	REAL300006796536	1	48	0.0	-87.69	374.73	10.16	-77.53
O=C([O-])C1N(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CCC1(F)F	REAL300006796536	1	48	0.0	-84.30	383.97	9.91	-74.39
CC1=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006796550	1	38	0.0	-84.58	318.42	7.35	-77.23
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCC1(F)F	REAL300006796553	0	47	0.0	-91.72	364.28	10.61	-81.11
O=C([O-])C1N(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCC1(F)F	REAL300006796564	1	40	0.0	-83.63	329.95	8.00	-75.63
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300006796565	0	43	0.0	-69.79	346.51	9.23	-60.56
O=C([O-])C1N(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCC1(F)F	REAL300006796570	1	45	0.0	-69.78	351.91	9.03	-60.75
O=C([O-])C1N(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCC1(F)F	REAL300006796570	1	45	0.0	-45.22	353.00	9.00	-36.22
CC(C(=O)N1CCC(F)(F)C1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006796579	0	53	0.0	-66.86	397.86	11.50	-55.36
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796611	0	43	0.0	-72.52	347.72	9.90	-62.62
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796611	1	43	0.0	-72.55	347.72	9.89	-62.66
COCCOCC[N@H+](C)CCC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796612	0	47	0.0	-76.64	377.98	6.04	-70.60
COCCOCC[N@@H+](C)CCC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796612	1	47	0.0	-80.10	378.03	6.06	-74.04
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300006796615	0	41	0.0	-67.62	310.82	5.58	-62.04
C[N@H+]1CCCC(O)(CC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300006796615	1	41	0.0	-77.90	306.32	5.78	-72.12
O=C([O-])C1N(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1(F)F	REAL300006796620	0	52	0.0	-83.74	402.88	9.64	-74.10
CCCCCC[N@H+](C)CC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796622	0	45	0.0	-71.14	352.32	9.21	-61.93
CCCCCC[N@@H+](C)CC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796622	1	45	0.0	-71.11	352.30	9.22	-61.89
C[N@H+](CC(=O)N1CCC(F)(F)C1C(=O)[O-])C1CCSC1	REAL300006796646	0	38	0.0	-74.43	309.20	7.64	-66.79
C[N@@H+](CC(=O)N1CCC(F)(F)C1C(=O)[O-])C1CCSC1	REAL300006796646	1	38	0.0	-76.12	307.92	7.69	-68.43
CC(C)[NH+]1CCN(CCC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300006796656	0	48	0.0	-79.37	363.93	6.67	-72.70
CC(C)N1CC[NH+](CCC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300006796656	1	48	0.0	-76.13	363.33	6.66	-69.47
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300006796657	0	51	0.0	-80.00	385.43	7.48	-72.52
CC(C)N1CC[NH+](CCCC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300006796657	1	51	0.0	-79.21	381.75	7.27	-71.94
O=C([O-])C1N(C(=O)C2CCCC3CCC[N@@H+]32)CCC1(F)F	REAL300006796658	0	41	0.0	-66.34	302.16	7.51	-58.83
O=C([O-])C1N(C(=O)C2CCCC3CCC[N@H+]32)CCC1(F)F	REAL300006796658	1	41	0.0	-70.10	303.46	8.17	-61.93
C[NH+](C)CCN1C=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])C=N1	REAL300006796660	0	40	0.0	-89.98	328.72	6.51	-83.47
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(F)(F)C3C(=O)[O-])CC2)=C1	REAL300006796663	0	52	0.0	-80.26	402.78	9.50	-70.76
O=C([O-])C1N(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1(F)F	REAL300006796665	0	49	0.0	-79.95	381.38	8.85	-71.10
O=C([O-])C1N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCC1(F)F	REAL300006796668	0	46	0.0	-75.59	361.23	8.52	-67.07
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCC1(F)F	REAL300006796668	1	46	0.0	-45.20	364.30	8.56	-36.64
O=C([O-])C1N(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300006796694	0	47	0.0	-83.99	372.97	10.59	-73.40
O=C([O-])C1N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300006796694	1	47	0.0	-85.07	375.35	10.65	-74.42
C[NH+](C)CCN1C=CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300006796706	0	40	0.0	-98.96	331.46	7.13	-91.83
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796707	0	40	0.0	-61.80	324.57	6.53	-55.27
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796708	1	41	0.0	-71.07	334.53	8.71	-62.36
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])=NN1	REAL300006796711	1	41	0.0	-85.89	332.30	6.65	-79.24
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])=NN1	REAL300006796711	1	41	0.0	-87.02	331.69	6.84	-80.18
O=C([O-])C1N(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCC1(F)F	REAL300006796720	0	47	0.0	-50.81	364.83	10.55	-40.26
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCC1(F)F	REAL300006796720	1	47	0.0	-68.35	366.56	10.51	-57.84
CC(C[NH+]1CCOCC1)C(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796724	1	41	0.0	-74.50	317.57	5.84	-68.66
O=C([O-])C1N(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCC1(F)F	REAL300006796725	0	48	0.0	-78.80	379.14	8.26	-70.54
O=C([O-])C1N(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CCC1(F)F	REAL300006796763	0	47	0.0	-73.62	351.56	9.17	-64.45
O=C([O-])C1N(C(=O)C2CC[N@H+](C3CCCCC3)C2)CCC1(F)F	REAL300006796763	1	47	0.0	-72.39	350.64	9.44	-62.95
O=C([O-])C1N(C(=O)C2CCC3CCCC[N@@H+]32)CCC1(F)F	REAL300006796779	0	41	0.0	-64.83	313.40	8.16	-56.67
O=C([O-])C1N(C(=O)C2CCC3CCCC[N@H+]32)CCC1(F)F	REAL300006796779	1	41	0.0	-63.31	309.94	8.38	-54.93
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(F)(F)C3C(=O)[O-])=C2)CC1	REAL300006796793	0	49	0.0	-79.53	383.36	7.88	-71.65
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CC1	REAL300006796794	0	49	0.0	-68.88	381.76	7.63	-61.25
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CC1	REAL300006796794	1	49	0.0	-63.20	382.11	7.70	-55.50
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300006796795	0	50	0.0	-61.06	378.70	9.12	-51.94
CC(C)[NH+]1CCC(C(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300006796801	0	43	0.0	-82.83	326.12	8.42	-74.41
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCC1(F)F	REAL300006796884	0	51	0.0	-95.91	395.97	7.92	-87.99
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300006796888	0	40	0.0	-60.93	317.78	8.28	-52.65
O=C([O-])C1N(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300006796889	0	47	0.0	-72.00	371.31	10.47	-61.53
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300006796889	1	47	0.0	-76.34	366.57	10.30	-66.04
C#CC[NH+]1CCC(C(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300006796933	0	39	0.0	-88.73	316.99	8.44	-80.29
CC[NH+]1CCN(CCC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300006796936	0	45	0.0	-81.18	347.19	6.16	-75.02
CCN1CC[NH+](CCC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300006796936	1	45	0.0	-76.06	346.69	6.12	-69.94
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006796943	1	41	0.0	-70.35	334.00	8.65	-61.70
CC(C(=O)N1CCC(F)(F)C1C(=O)[O-])[NH+]1CCCCCC1	REAL300006796969	0	43	0.0	-66.75	316.18	7.88	-58.87
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(F)(F)C3C(=O)[O-])=CC=C1N2	REAL300006796997	1	45	0.0	-95.97	358.50	9.16	-86.81
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(F)(F)C3C(=O)[O-])=CC=C1N2	REAL300006796997	1	45	0.0	-72.47	353.28	8.69	-63.78
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])O1	REAL300006797037	0	43	0.0	-88.85	342.64	8.35	-80.50
O=C([O-])C1N(C(=O)CCCC[NH+]2CCCC2)CCC1(F)F	REAL300006797038	0	43	0.0	-81.59	338.30	8.70	-72.89
CC1=CC=C(N2CCC(C(=O)N3CCC(F)(F)C3C(=O)[O-])CC2)[NH+]=C1	REAL300006797039	1	46	0.0	-82.48	358.25	8.28	-74.20
C[N@H+](CC(=O)N1CCC(F)(F)C1C(=O)[O-])CC1=CC=CC=C1	REAL300006797040	1	40	0.0	-73.78	325.24	9.05	-64.73
C[N@@H+](CC(=O)N1CCC(F)(F)C1C(=O)[O-])CC1=CC=CC=C1	REAL300006797040	1	40	0.0	-74.08	325.24	9.05	-65.03
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CC1	REAL300006797043	0	52	0.0	-90.18	390.77	9.13	-81.05
O=C([O-])C1N(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCC1(F)F	REAL300006797053	1	35	0.0	-83.53	300.99	6.99	-76.54
C[NH+](C)CC1=CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])=NO1	REAL300006797075	1	36	0.0	-84.97	304.59	6.86	-78.11
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006797081	0	47	0.0	-75.22	370.89	10.46	-64.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300006797081	1	47	0.0	-79.07	370.40	10.35	-68.72
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300006797099	0	48	0.0	-91.76	389.11	10.36	-81.40
C[NH+]1CCC(OCC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300006797110	0	41	0.0	-87.86	328.54	7.66	-80.20
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCC1(F)F	REAL300006797114	0	44	0.0	-89.04	350.59	9.21	-79.83
CCC[N@@H+]1CCCC(C(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300006797247	0	43	0.0	-71.39	326.67	8.40	-62.99
CCC[N@H+]1CCCC(C(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300006797247	1	43	0.0	-75.57	330.89	8.78	-66.79
O=C([O-])C1N(C(=O)C[NH+]2CCC(CO)CC2)CCC1(F)F	REAL300006797275	1	41	0.0	-74.52	322.00	4.63	-69.89
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300006797440	0	43	0.0	-42.47	327.17	8.02	-34.45
CC(C)[N@H+]1CCCC(C(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300006797440	1	43	0.0	-75.33	323.07	7.99	-67.34
C[N@@H+]1CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006797441	0	37	0.0	-84.52	299.80	6.70	-77.82
C[N@H+]1CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300006797441	1	37	0.0	-86.90	292.41	7.11	-79.79
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(F)(F)C2C(=O)[O-])N1	REAL300006797465	1	38	0.0	-70.90	318.79	6.80	-64.10
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300006797814	0	43	0.0	-65.93	340.27	9.12	-56.81
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300006797819	0	44	0.0	-63.64	347.26	8.07	-55.57
O=C([O-])C1N(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCC1(F)F	REAL300006797901	0	50	0.0	-81.14	388.29	11.43	-69.71
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CCO1	REAL300006797903	1	48	0.0	-94.48	372.02	8.64	-85.84
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CCO1	REAL300006797903	1	48	0.0	-93.29	368.94	9.14	-84.15
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300006797927	0	43	0.0	-73.13	317.82	7.80	-65.33
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(F)(F)C3C(=O)[O-])=CN12	REAL300006797932	0	35	0.0	-52.06	291.18	8.08	-43.98
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300006797975	0	46	0.0	-65.31	341.56	9.17	-56.14
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300006797975	1	46	0.0	-42.92	344.25	8.77	-34.15
C[NH+](C)CC1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])O1	REAL300006797980	1	37	0.0	-90.87	308.97	7.32	-83.55
O=C([O-])C1N(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCC1(F)F	REAL300006797987	1	39	0.0	-71.43	301.91	7.78	-63.65
O=C([O-])C1N(C(=O)C23CC(C2)C[N@H+]3C2CC2)CCC1(F)F	REAL300006797987	1	39	0.0	-72.45	288.90	8.19	-64.26
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2=CC=CC=C2)C2=CC=CO2)C1	REAL300006798070	0	50	0.0	-49.84	390.92	10.32	-39.52
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2=CC=CC=C2)C2=CC=CO2)C1	REAL300006798070	1	50	0.0	-46.59	390.13	9.87	-36.72
CC(C)C1CC2=CC(F)=CC=C2N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006798192	0	53	0.0	-51.81	383.97	11.59	-40.22
CC(C)C1CC2=CC(F)=CC=C2N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006798192	1	53	0.0	-51.58	390.62	11.74	-39.84
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006798232	0	56	0.0	-81.56	436.37	10.95	-70.61
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006798232	1	56	0.0	-83.79	439.98	11.16	-72.63
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300006798233	0	56	0.0	-89.31	439.86	11.62	-77.69
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300006798233	1	56	0.0	-93.73	436.41	10.95	-82.78
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])S1	REAL300006798234	0	53	0.0	-69.75	434.14	10.80	-58.95
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])S1	REAL300006798234	1	53	0.0	-74.76	434.29	10.33	-64.43
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300006798235	0	55	0.0	-63.14	430.04	9.08	-54.06
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300006798235	1	55	0.0	-64.40	438.11	9.44	-54.96
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300006798236	0	55	0.0	-95.09	432.52	9.19	-85.90
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300006798236	1	55	0.0	-98.75	436.07	9.39	-89.36
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])O1	REAL300006798237	0	53	0.0	-63.38	426.30	10.03	-53.35
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])O1	REAL300006798237	1	53	0.0	-68.68	426.46	9.56	-59.12
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300006798238	0	59	0.0	-95.20	464.67	12.30	-82.90
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300006798238	1	59	0.0	-97.57	461.00	11.62	-85.95
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1CCCC(C(=O)[O-])C1	REAL300006798239	0	62	0.0	-75.40	448.81	11.73	-63.67
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1CCCC(C(=O)[O-])C1	REAL300006798239	1	62	0.0	-89.57	443.05	11.07	-78.50
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300006798240	0	55	0.0	-80.96	432.25	9.17	-71.79
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300006798240	1	55	0.0	-82.08	432.24	9.17	-72.91
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006798241	0	55	0.0	-70.51	433.73	9.20	-61.31
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006798241	1	55	0.0	-71.18	433.82	9.21	-61.97
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006798242	0	61	0.0	-77.29	447.39	10.99	-66.30
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006798242	1	61	0.0	-80.98	437.16	10.05	-70.93
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300006798243	0	54	0.0	-73.80	429.36	7.36	-66.44
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300006798243	1	54	0.0	-74.55	429.40	7.35	-67.20
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006798244	0	62	0.0	-79.82	459.05	11.09	-68.73
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006798244	1	62	0.0	-80.23	468.13	11.66	-68.57
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1CCC(C(=O)[O-])CC1	REAL300006798245	0	62	0.0	-75.27	454.65	11.01	-64.26
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1CCC(C(=O)[O-])CC1	REAL300006798245	1	62	0.0	-77.31	456.02	11.02	-66.29
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300006798246	0	59	0.0	-93.67	460.93	11.62	-82.05
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300006798246	1	59	0.0	-94.45	460.97	11.63	-82.82
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300006798247	0	55	0.0	-91.88	441.69	8.28	-83.60
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300006798247	1	55	0.0	-95.99	441.90	7.83	-88.16
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1	REAL300006798248	0	58	0.0	-67.51	451.94	10.29	-57.22
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1	REAL300006798248	1	58	0.0	-71.46	450.09	9.72	-61.74
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006798249	0	56	0.0	-81.56	436.37	10.95	-70.61
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006798249	1	56	0.0	-83.79	439.98	11.16	-72.63
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006798250	0	59	0.0	-81.94	448.31	11.19	-70.75
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006798250	1	59	0.0	-91.07	443.64	10.55	-80.52
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300006798251	0	59	0.0	-85.14	460.69	12.30	-72.84
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300006798251	1	59	0.0	-86.62	462.14	11.93	-74.69
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300006798252	0	56	0.0	-77.34	438.80	9.85	-67.49
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300006798252	1	56	0.0	-85.52	432.56	9.66	-75.86
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300006798253	0	55	0.0	-74.83	437.46	9.90	-64.93
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300006798253	1	55	0.0	-80.36	440.89	9.74	-70.62
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006798254	0	61	0.0	-77.29	447.39	10.99	-66.30
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC(C)(C)CC(=O)[O-]	REAL300006798254	1	61	0.0	-80.98	437.16	10.05	-70.93
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCCC(=O)[O-]	REAL300006798255	0	55	0.0	-79.45	425.32	10.15	-69.30
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCCC(=O)[O-]	REAL300006798255	1	55	0.0	-83.08	423.18	9.56	-73.52
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC(C)CC(=O)[O-]	REAL300006798256	0	58	0.0	-79.82	437.92	10.58	-69.24
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC(C)CC(=O)[O-]	REAL300006798256	1	58	0.0	-82.95	435.78	10.01	-72.94
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=NOC(C(=O)[O-])=C1	REAL300006798257	0	52	0.0	-70.14	417.25	8.52	-61.62
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=NOC(C(=O)[O-])=C1	REAL300006798257	1	52	0.0	-70.74	424.14	9.04	-61.70
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300006798258	0	56	0.0	-68.53	442.99	10.76	-57.77
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300006798258	1	56	0.0	-73.22	443.10	10.31	-62.91
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300006798259	0	56	0.0	-63.48	444.22	10.61	-52.87
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300006798259	1	56	0.0	-68.18	447.71	10.45	-57.73
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006798260	0	56	0.0	-87.94	446.60	9.77	-78.17
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006798260	1	56	0.0	-91.80	443.17	9.10	-82.70
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCSCC(=O)[O-]	REAL300006798261	0	56	0.0	-75.21	448.35	10.74	-64.47
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCSCC(=O)[O-]	REAL300006798261	1	56	0.0	-78.14	446.21	10.14	-68.00
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006798262	0	55	0.0	-70.51	433.73	9.20	-61.31
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006798262	1	55	0.0	-71.18	433.82	9.21	-61.97
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)COCC(=O)[O-]	REAL300006798263	0	53	0.0	-81.17	417.44	9.34	-71.83
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)COCC(=O)[O-]	REAL300006798263	1	53	0.0	-85.22	415.31	8.71	-76.51
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300006798264	0	56	0.0	-75.21	439.97	9.16	-66.05
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300006798264	1	56	0.0	-79.12	438.86	8.62	-70.50
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300006798265	0	60	0.0	-86.93	463.46	11.24	-75.69
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300006798265	1	60	0.0	-90.89	458.71	10.34	-80.55
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006798266	0	59	0.0	-76.08	458.55	11.73	-64.35
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006798266	1	59	0.0	-78.50	462.16	11.94	-66.56
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006798267	0	59	0.0	-81.94	448.31	11.19	-70.75
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300006798267	1	59	0.0	-91.07	443.64	10.55	-80.52
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300006798268	0	59	0.0	-91.32	452.36	11.50	-79.82
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300006798268	1	59	0.0	-95.20	455.90	11.72	-83.48
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006798269	0	55	0.0	-81.59	435.00	9.84	-71.75
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006798269	1	55	0.0	-86.01	431.53	9.16	-76.85
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=CN=C1C	REAL300006798270	0	58	0.0	-63.33	453.15	10.63	-52.70
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=CN=C1C	REAL300006798270	1	58	0.0	-68.03	447.91	9.81	-58.22
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006798271	0	56	0.0	-93.19	445.93	9.80	-83.39
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006798271	1	56	0.0	-98.20	442.50	9.11	-89.09
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006798272	0	56	0.0	-72.95	425.71	10.90	-62.05
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006798272	1	56	0.0	-81.91	423.21	11.12	-70.79
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006798273	0	56	0.0	-72.95	425.71	10.90	-62.05
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300006798273	1	56	0.0	-81.91	423.21	11.12	-70.79
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300006798274	0	53	0.0	-62.77	410.59	10.45	-52.32
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300006798274	1	53	0.0	-81.28	412.09	10.50	-70.78
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=C(C)C=C(C(=O)[O-])O1	REAL300006798275	0	56	0.0	-63.66	444.11	10.72	-52.94
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=C(C)C=C(C(=O)[O-])O1	REAL300006798275	1	56	0.0	-68.76	440.60	10.03	-58.73
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C(CC)C(=O)[O-]	REAL300006798276	0	55	0.0	-55.89	408.00	10.10	-45.79
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C(CC)C(=O)[O-]	REAL300006798276	1	55	0.0	-62.53	415.51	9.20	-53.33
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C(C(=O)[O-])C(C)C	REAL300006798277	0	58	0.0	-41.79	426.75	10.35	-31.44
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C(C(=O)[O-])C(C)C	REAL300006798277	1	58	0.0	-59.63	425.10	9.86	-49.77
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300006798278	0	62	0.0	-75.60	450.01	12.23	-63.37
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300006798278	1	62	0.0	-77.11	453.93	11.96	-65.15
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300006798279	0	53	0.0	-79.52	412.73	9.48	-70.04
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300006798279	1	53	0.0	-80.74	415.29	9.64	-71.10
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006798280	0	60	0.0	-82.76	463.62	12.04	-70.72
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006798280	1	60	0.0	-85.49	451.71	11.94	-73.55
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300006798281	0	56	0.0	-72.93	432.91	10.73	-62.20
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300006798281	1	56	0.0	-88.25	428.38	10.03	-78.22
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	REAL300006798282	0	62	0.0	-79.83	465.21	11.73	-68.10
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	REAL300006798282	1	62	0.0	-82.30	473.18	12.50	-69.80
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300006798283	0	59	0.0	-63.58	457.73	12.43	-51.15
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300006798283	1	59	0.0	-66.44	459.92	12.25	-54.19
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1CC(C)(C(=O)[O-])C1	REAL300006798284	0	59	0.0	-73.66	445.55	10.36	-63.30
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1CC(C)(C(=O)[O-])C1	REAL300006798284	1	59	0.0	-70.45	441.32	10.21	-60.24
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=NN1	REAL300006798285	0	53	0.0	-83.98	423.72	8.06	-75.92
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=NN1	REAL300006798285	1	53	0.0	-88.29	420.33	7.38	-80.91
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300006798286	0	58	0.0	-77.79	447.16	10.48	-67.31
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300006798286	1	58	0.0	-84.20	449.07	10.22	-73.98
CCCC(C(=O)[O-])C(=O)NC(CC1=CC=CC=C1)C[N@H+](C)CCOCC	REAL300006798287	0	58	0.0	-62.79	437.02	9.97	-52.82
CCCC(C(=O)[O-])C(=O)NC(CC1=CC=CC=C1)C[N@@H+](C)CCOCC	REAL300006798287	1	58	0.0	-46.47	444.79	10.76	-35.71
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300006798288	0	59	0.0	-81.73	450.89	11.56	-70.17
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300006798288	1	59	0.0	-82.14	460.09	12.22	-69.92
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300006798289	0	57	0.0	-79.72	440.58	10.68	-69.04
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300006798289	1	57	0.0	-70.68	440.71	10.48	-60.20
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC1(CC(=O)[O-])CC1	REAL300006798290	0	59	0.0	-67.84	435.48	10.46	-57.38
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CC1(CC(=O)[O-])CC1	REAL300006798290	1	59	0.0	-65.43	441.52	11.08	-54.35
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CSC(C(=O)[O-])=N1	REAL300006798291	0	52	0.0	-57.97	429.53	8.78	-49.19
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CSC(C(=O)[O-])=N1	REAL300006798291	1	52	0.0	-63.38	426.08	8.09	-55.29
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C(OC)C(=O)[O-]	REAL300006798292	0	53	0.0	-43.07	410.42	9.12	-33.95
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C(OC)C(=O)[O-]	REAL300006798292	1	53	0.0	-67.18	411.44	8.57	-58.61
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300006798293	0	56	0.0	-62.59	428.81	10.23	-52.36
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300006798293	1	56	0.0	-72.06	429.49	9.82	-62.24
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C(C)C(=O)[O-]	REAL300006798294	0	52	0.0	-64.51	393.44	10.04	-54.47
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C(C)C(=O)[O-]	REAL300006798294	1	52	0.0	-70.54	397.34	9.77	-60.77
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300006798295	0	59	0.0	-86.69	449.06	12.08	-74.61
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300006798295	1	59	0.0	-90.59	446.56	11.52	-79.07
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=CS1	REAL300006798296	0	53	0.0	-86.80	429.58	9.95	-76.85
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=CS1	REAL300006798296	1	53	0.0	-89.57	433.20	10.18	-79.39
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-]	REAL300006798297	0	62	0.0	-67.37	453.77	12.10	-55.27
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-]	REAL300006798297	1	62	0.0	-75.85	453.58	11.47	-64.38
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300006798298	0	59	0.0	-38.84	434.47	11.28	-27.56
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300006798298	1	59	0.0	-59.97	442.51	10.47	-49.50
CN1N=CC=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CN=C1	REAL300006798418	0	49	0.0	-55.84	388.11	7.10	-48.74
CN1N=CC=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CN=C1	REAL300006798418	1	49	0.0	-53.48	382.68	7.13	-46.35
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC3=NNC=N3)C=C2)C1	REAL300006798541	0	47	0.0	-59.10	376.50	7.68	-51.42
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC3=NNC=N3)C=C2)C1	REAL300006798541	1	47	0.0	-57.58	370.43	7.69	-49.89
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006798663	1	38	0.0	-67.49	321.98	6.58	-60.91
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300006798664	1	42	0.0	-71.80	353.08	6.86	-64.94
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300006798665	1	38	0.0	-74.05	322.01	6.58	-67.47
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])S1	REAL300006798666	1	35	0.0	-61.79	316.29	5.76	-56.03
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300006798667	1	37	0.0	-59.03	320.10	4.86	-54.17
CCOC1=CC(C(=O)NC2=C(OC)C=C(C)[NH+]=C2C)=CC=C1OCC(=O)[O-]	REAL300006798668	1	49	0.0	-72.83	404.08	7.53	-65.30
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300006798669	1	44	0.0	-72.82	368.05	8.08	-64.74
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300006798670	1	37	0.0	-76.75	318.09	4.82	-71.93
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300006798671	1	42	0.0	-72.21	356.41	7.76	-64.45
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006798672	1	46	0.0	-71.49	400.70	2.97	-68.52
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006798673	1	40	0.0	-66.24	350.16	7.24	-59.00
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300006798674	1	40	0.0	-66.24	350.16	7.24	-59.00
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1	REAL300006798675	1	48	0.0	-73.40	397.00	8.13	-65.27
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300006798676	1	44	0.0	-59.77	353.57	9.04	-50.73
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300006798677	1	48	0.0	-69.67	397.10	8.40	-61.27
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300006798678	1	41	0.0	-71.94	346.66	7.26	-64.68
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1CCCC(C(=O)[O-])C1	REAL300006798679	1	44	0.0	-72.59	337.76	6.56	-66.03
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300006798680	1	37	0.0	-68.04	317.88	4.81	-63.23
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006798681	1	37	0.0	-59.16	319.38	4.85	-54.31
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300006798682	1	38	0.0	-66.86	326.52	6.65	-60.21
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300006798683	1	36	0.0	-61.33	314.98	2.99	-58.34
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006798684	1	44	0.0	-66.17	347.02	6.80	-59.37
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1CCC(C(=O)[O-])CC1	REAL300006798685	1	44	0.0	-67.16	347.90	6.82	-60.34
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300006798686	1	41	0.0	-76.51	346.66	7.26	-69.25
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300006798687	1	37	0.0	-77.44	323.81	3.25	-74.19
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1	REAL300006798688	1	40	0.0	-58.54	327.71	6.64	-51.90
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300006798689	1	38	0.0	-67.49	343.29	7.19	-60.30
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300006798690	1	38	0.0	-67.49	321.98	6.58	-60.91
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300006798691	1	41	0.0	-67.64	344.19	7.34	-60.30
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300006798692	1	38	0.0	-66.91	324.46	5.51	-61.40
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(CC(=O)[O-])OC=C1C	REAL300006798693	1	41	0.0	-63.50	349.68	6.07	-57.43
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300006798694	1	37	0.0	-63.85	319.59	4.87	-58.98
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1CCC(C(=O)[O-])CC1	REAL300006798695	1	47	0.0	-71.39	366.79	7.52	-63.87
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300006798696	1	40	0.0	-72.19	343.87	5.90	-66.29
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006798697	1	45	0.0	-71.88	374.15	7.30	-64.58
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300006798698	1	51	0.0	-66.31	392.78	10.65	-55.66
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300006798699	1	38	0.0	-62.21	325.14	5.73	-56.48
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300006798700	1	38	0.0	-58.78	326.34	5.57	-53.21
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300006798701	1	38	0.0	-73.64	328.74	4.73	-68.91
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300006798702	1	39	0.0	-62.60	341.54	6.17	-56.43
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300006798703	1	42	0.0	-67.34	353.00	6.86	-60.48
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300006798704	1	37	0.0	-59.16	319.38	4.85	-54.31
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300006798705	1	38	0.0	-66.65	318.14	5.37	-61.28
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300006798706	1	42	0.0	-72.73	344.32	6.09	-66.64
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300006798707	1	41	0.0	-63.87	344.18	7.36	-56.51
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300006798708	1	42	0.0	-69.56	354.07	7.87	-61.69
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300006798709	1	39	0.0	-67.65	341.06	6.05	-61.60
COC1=CC(C)=[NH+]C(C)=C1NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300006798710	1	41	0.0	-76.29	354.67	2.31	-73.98
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300006798711	1	39	0.0	-65.38	342.59	6.40	-58.98
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300006798712	1	41	0.0	-74.62	330.04	8.39	-66.23
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300006798713	1	37	0.0	-67.11	317.16	4.78	-62.33
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(C(=O)[O-])=CN=C1C	REAL300006798714	1	40	0.0	-56.14	328.05	6.57	-49.57
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300006798715	1	38	0.0	-83.60	328.07	4.76	-78.84
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300006798716	1	44	0.0	-82.90	371.68	6.13	-76.77
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300006798717	1	45	0.0	-72.58	365.70	6.54	-66.04
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300006798718	1	45	0.0	-65.84	364.66	5.36	-60.48
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(C)C=C(C(=O)[O-])O1	REAL300006798719	1	38	0.0	-58.75	326.23	5.67	-53.08
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300006798720	1	46	0.0	-39.46	335.58	8.48	-30.98
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300006798721	1	44	0.0	-59.84	335.58	7.41	-52.43
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CN1CCCC(C(=O)[O-])C1	REAL300006798722	1	46	0.0	-64.23	361.17	4.64	-59.59
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300006798723	1	45	0.0	-71.88	374.15	7.30	-64.58
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300006798724	1	45	0.0	-85.62	380.00	8.71	-76.91
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300006798725	1	42	0.0	-60.95	344.40	6.94	-54.01
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	REAL300006798726	1	44	0.0	-68.76	345.43	8.47	-60.29
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300006798727	1	41	0.0	-58.01	330.09	8.39	-49.62
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300006798728	1	40	0.0	-66.40	319.99	6.49	-59.91
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300006798729	1	41	0.0	-68.22	330.07	8.39	-59.83
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300006798730	1	38	0.0	-65.78	334.48	7.09	-58.69
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300006798731	1	45	0.0	-69.42	362.82	7.43	-61.99
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=C(OC)C=C(C)[NH+]=C2C)=C1	REAL300006798732	1	41	0.0	-56.68	349.84	4.18	-52.50
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300006798733	1	39	0.0	-61.61	316.77	7.18	-54.43
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300006798734	1	44	0.0	-66.52	365.58	8.16	-58.36
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300006798735	1	42	0.0	-66.50	356.06	7.08	-59.42
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CSC(C(=O)[O-])=N1	REAL300006798736	1	34	0.0	-56.04	311.67	3.74	-52.30
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300006798737	1	38	0.0	-59.76	331.26	6.44	-53.32
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300006798738	1	38	0.0	-68.33	351.81	7.18	-61.15
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=C(OC)C=C(C)[NH+]=C2C)=C1	REAL300006798739	1	42	0.0	-67.79	359.71	6.25	-61.54
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300006798740	1	41	0.0	-72.62	357.17	7.88	-64.74
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300006798741	1	43	0.0	-67.84	353.31	6.07	-61.77
COC1=CC(C)=[NH+]C(C)=C1NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300006798742	1	42	0.0	-72.06	356.49	7.77	-64.29
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300006798743	1	39	0.0	-61.17	347.18	5.60	-55.57
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300006798744	1	39	0.0	-69.50	347.35	5.75	-63.75
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300006798745	1	39	0.0	-62.22	338.53	4.73	-57.49
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300006798746	1	41	0.0	-72.97	324.44	8.27	-64.70
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300006798747	1	41	0.0	-73.69	352.28	6.01	-67.68
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(C(=O)[O-])=CS1	REAL300006798748	1	35	0.0	-69.94	315.22	5.61	-64.33
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300006798749	1	43	0.0	-54.61	334.79	5.66	-48.95
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300006798750	1	44	0.0	-74.52	352.71	9.77	-64.75
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-]	REAL300006798751	1	44	0.0	-47.43	343.32	7.90	-39.53
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1=CC=C(C(=O)[O-])C=C1C	REAL300006798752	1	44	0.0	-78.09	363.37	7.73	-70.36
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300006798753	1	38	0.0	-71.81	338.20	6.41	-65.40
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300006798754	1	41	0.0	-79.12	351.20	7.29	-71.83
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300006798755	1	45	0.0	-62.95	371.00	8.14	-54.81
CN1N=CC=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006798824	0	50	0.0	-51.11	380.30	9.10	-42.01
CN1N=CC=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006798824	1	50	0.0	-55.51	380.63	9.54	-45.97
CN1N=NC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300006798943	0	42	0.0	-49.92	340.14	4.55	-45.37
CN1N=NC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300006798943	1	42	0.0	-50.95	346.21	4.58	-46.37
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3CCCC(C3)C2)C1	REAL300006799038	0	50	0.0	-42.38	339.22	9.90	-32.48
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3CCCC(C3)C2)C1	REAL300006799038	1	50	0.0	-42.90	334.72	9.64	-33.26
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(F)=C3)CCCCC2)C1	REAL300006799139	0	53	0.0	-49.75	389.56	11.11	-38.64
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(F)=C3)CCCCC2)C1	REAL300006799139	1	53	0.0	-52.59	383.35	11.09	-41.50
COCC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(F)(F)C1	REAL300006799235	0	44	0.0	-49.82	339.01	5.54	-44.28
COCC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(F)(F)C1	REAL300006799235	1	44	0.0	-48.30	346.66	5.73	-42.57
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(Cl)C=C3)CCCCCC2)C1	REAL300006799328	0	56	0.0	-46.60	403.20	11.79	-34.81
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(Cl)C=C3)CCCCCC2)C1	REAL300006799328	1	56	0.0	-50.06	400.09	12.46	-37.60
CC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC2=CC=CC=C2C1	REAL300006799421	0	50	0.0	-46.66	365.96	9.96	-36.70
CC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC2=CC=CC=C2C1	REAL300006799421	1	50	0.0	-45.24	360.52	9.99	-35.25
CN1C=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CN=C2)C=N1	REAL300006799527	0	49	0.0	-53.82	390.81	7.29	-46.53
CN1C=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CN=C2)C=N1	REAL300006799527	1	49	0.0	-51.70	385.82	7.46	-44.24
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)N[C@@H]1COC[C@H]1N1CCOCC1	REAL300006799635	0	51	0.0	-50.27	377.15	2.34	-47.93
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)N[C@@H]1COC[C@H]1N1CCOCC1	REAL300006799635	1	51	0.0	-49.80	377.20	2.32	-47.48
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H](C2CCOCC2)C(F)(F)F)C1	REAL300006799740	1	47	0.0	-51.40	357.94	6.64	-44.76
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H](C2CCOCC2)C(F)(F)F)C1	REAL300006799740	1	47	0.0	-49.82	356.80	6.61	-43.21
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)CC1	REAL300006799781	0	47	0.0	-75.19	369.57	10.70	-64.49
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=CC(OCC(=O)[O-])=C3)=C2)CC1	REAL300006799782	0	51	0.0	-78.45	400.67	10.97	-67.48
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006799783	0	47	0.0	-89.92	369.32	10.70	-79.22
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C(=O)[O-])S3)=C2)CC1	REAL300006799784	0	44	0.0	-71.81	363.87	9.87	-61.94
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=CC(C(=O)[O-])=N3)=C2)CC1	REAL300006799785	0	46	0.0	-73.79	367.70	8.97	-64.82
CC(SC1=CC=CC=C1C(=O)NC1=CC=CC(C2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300006799786	0	54	0.0	-77.34	421.61	12.45	-64.89
C[NH+]1CCC(C2=CC=CC(NC(=O)CCC3=CC=C(C(=O)[O-])C=C3)=C2)CC1	REAL300006799787	0	53	0.0	-83.77	415.37	12.19	-71.58
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=NC(C(=O)[O-])=C3)=C2)CC1	REAL300006799788	0	46	0.0	-83.08	365.69	8.93	-74.15
C[NH+]1CCC(C2=CC=CC(NC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)=C2)CC1	REAL300006799789	0	51	0.0	-79.19	403.82	11.91	-67.28
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=C2)CC1	REAL300006799790	0	49	0.0	-66.99	397.74	11.37	-55.62
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=C2)CC1	REAL300006799791	0	49	0.0	-66.99	397.74	11.37	-55.62
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C(=O)[O-])O3)=C2)CC1	REAL300006799792	0	44	0.0	-70.51	356.00	9.10	-61.41
C[NH+]1CCC(C2=CC=CC(NC(=O)CCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300006799793	0	53	0.0	-78.96	406.62	11.92	-67.04
CC1=CC(C(=O)NC2=CC=CC(C3CC[NH+](C)CC3)=C2)=CC(C)=C1OCC(=O)[O-]	REAL300006799794	0	57	0.0	-81.12	442.36	12.42	-68.70
C[NH+]1CCC(C2=CC=CC(NC(=O)CC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300006799795	0	50	0.0	-88.02	394.25	11.37	-76.65
C[NH+]1CCC(C2=CC=CC(NC(=O)C3(C(=O)[O-])CC3)=C2)CC1	REAL300006799796	0	44	0.0	-68.09	342.41	9.24	-58.85
C[NH+]1CCC(C2=CC=CC(NC(=O)C3(C(=O)[O-])CC3)=C2)CC1	REAL300006799797	0	44	0.0	-68.09	342.41	9.24	-58.85
C[NH+]1CCC(C2=CC=CC(NC(=O)C3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300006799798	0	53	0.0	-89.56	388.98	10.77	-78.79
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C(=O)[O-])N=C3)=C2)CC1	REAL300006799799	0	46	0.0	-76.25	365.45	8.92	-67.33
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C(=O)[O-])C=N3)=C2)CC1	REAL300006799800	0	46	0.0	-69.35	366.71	8.99	-60.36
C[NH+]1CCC(C2=CC=CC(NC(=O)CC(C)(C)CC(=O)[O-])=C2)CC1	REAL300006799801	0	52	0.0	-79.41	378.73	10.12	-69.29
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)CC1	REAL300006799802	0	47	0.0	-74.11	373.82	10.78	-63.33
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CN=C(C(=O)[O-])C=N3)=C2)CC1	REAL300006799803	0	45	0.0	-73.32	362.57	7.11	-66.21
C[NH+]1CCC(C2=CC=CC(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)=C2)CC1	REAL300006799804	0	53	0.0	-78.99	394.62	10.90	-68.09
C[NH+]1CCC(C2=CC=CC(NC(=O)C3CCC(C(=O)[O-])CC3)=C2)CC1	REAL300006799805	0	53	0.0	-79.57	388.97	10.79	-68.78
C[NH+]1CCC(C2=CC=CC(NC(=O)CC3=CC=C(C(=O)[O-])C=C3)=C2)CC1	REAL300006799806	0	50	0.0	-81.20	394.24	11.39	-69.81
C[NH+]1CCC(C2=CC=CC(NC(=O)CN3C=C(C(=O)[O-])N=N3)=C2)CC1	REAL300006799807	0	46	0.0	-83.55	371.39	7.37	-76.18
CC1=NC(C(=O)NC2=CC=CC(C3CC[NH+](C)CC3)=C2)=CC=C1C(=O)[O-]	REAL300006799808	0	49	0.0	-71.73	383.33	9.48	-62.25
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)CC1	REAL300006799809	0	47	0.0	-75.19	369.57	10.70	-64.49
C[NH+]1CCC(C2=CC=CC(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300006799810	0	50	0.0	-85.68	376.65	10.28	-75.40
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=CC(CC(=O)[O-])=C3)=C2)CC1	REAL300006799811	0	50	0.0	-83.68	391.50	11.47	-72.21
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=C(CC(=O)[O-])OC=C3)=C2)CC1	REAL300006799812	0	47	0.0	-76.91	372.04	9.63	-67.28
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=CC(C2CC[NH+](C)CC2)=C1	REAL300006799813	0	50	0.0	-71.14	398.89	10.23	-60.91
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)CC1	REAL300006799814	0	46	0.0	-79.82	367.19	8.98	-70.84
C[NH+]1CCC(C2=CC=CC(NC(=O)C34CC(C(=O)[O-])(C3)C4)=C2)CC1	REAL300006799815	0	48	0.0	-78.29	372.99	10.26	-68.03
C[NH+]1CCC(C2=CC=CC(NC(=O)C3(C(=O)[O-])CCC3)=C2)CC1	REAL300006799816	0	47	0.0	-68.81	356.17	9.61	-59.20
C[NH+]1CCC(C2=CC=CC(NC(=O)C(C)(C)C(=O)[O-])=C2)CC1	REAL300006799817	0	46	0.0	-86.41	349.22	9.79	-76.62
C[NH+]1CCC(C2=CC=CC(NC(=O)CC3CCC(C(=O)[O-])CC3)=C2)CC1	REAL300006799818	0	56	0.0	-77.66	414.39	11.64	-66.02
C[NH+]1CCC(C2=CC=CC(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)=C2)CC1	REAL300006799819	0	54	0.0	-86.94	403.70	11.10	-75.84
C[NH+]1CCC(C2=CC=CC(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)=C2)CC1	REAL300006799820	0	57	0.0	-80.25	412.91	11.60	-68.65
C[NH+]1CCC(C2=CC=CC(NC(=O)CC(C)(C)CC(=O)[O-])=C2)CC1	REAL300006799821	0	52	0.0	-79.41	378.73	10.12	-69.29
C[NH+]1CCC(C2=CC=CC(NC(=O)CCCC(=O)[O-])=C2)CC1	REAL300006799822	0	46	0.0	-83.72	356.11	9.31	-74.41
CC(CC(=O)[O-])CC(=O)NC1=CC=CC(C2CC[NH+](C)CC2)=C1	REAL300006799823	0	49	0.0	-74.25	369.01	9.75	-64.50
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)=C2)CC1	REAL300006799824	0	49	0.0	-84.43	391.45	10.01	-74.42
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)=C2)CC1	REAL300006799825	0	54	0.0	-81.32	421.45	11.43	-69.89
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=NOC(C(=O)[O-])=C3)=C2)CC1	REAL300006799826	0	43	0.0	-66.36	350.44	8.28	-58.08
C[NH+]1CCC(C2=CC=CC(NC(=O)C3(C(=O)[O-])CCCC3)=C2)CC1	REAL300006799827	0	50	0.0	-69.65	373.76	10.30	-59.35
CC1=C(C(=O)NC2=CC=CC(C3CC[NH+](C)CC3)=C2)C=C(C(=O)[O-])O1	REAL300006799828	0	47	0.0	-74.82	372.73	9.85	-64.97
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC=CC(C3CC[NH+](C)CC3)=C2)=C1	REAL300006799829	0	47	0.0	-71.29	373.92	9.68	-61.61
C[NH+]1CCC(C2=CC=CC(NC(=O)CN3C=C(C(=O)[O-])C=N3)=C2)CC1	REAL300006799830	0	47	0.0	-89.06	376.02	8.85	-80.21
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C=CC(=O)[O-])O3)=C2)CC1	REAL300006799831	0	48	0.0	-74.11	389.12	10.28	-63.83
C[NH+]1CCC(C2=CC=CC(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)=C2)CC1	REAL300006799832	0	54	0.0	-67.82	400.96	11.38	-56.44
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2)CC1	REAL300006799833	0	51	0.0	-74.86	400.30	10.99	-63.87
C[NH+]1CCC(C2=CC=CC(NC(=O)CCSCC(=O)[O-])=C2)CC1	REAL300006799834	0	47	0.0	-77.77	379.41	9.89	-67.88
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C(=O)[O-])C=N3)=C2)CC1	REAL300006799835	0	46	0.0	-69.35	366.71	8.99	-60.36
C[NH+]1CCC(C2=CC=CC(NC(=O)COCC(=O)[O-])=C2)CC1	REAL300006799836	0	44	0.0	-86.41	348.51	8.47	-77.94
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CCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006801976	1	43	0.0	-85.32	351.29	9.32	-76.00
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C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1)CC(C)(C)C	REAL300006802013	0	49	0.0	-85.19	379.93	10.31	-74.88
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C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006802015	1	50	0.0	-88.60	411.24	12.36	-76.24
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CC[C@@H](C(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1)[NH+](C)C	REAL300006802018	0	43	0.0	-80.50	342.70	8.92	-71.58
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006802020	0	48	0.0	-78.79	372.71	7.96	-70.83
C[N@H+]1CCCC(O)(CC(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006802020	1	48	0.0	-78.17	382.39	8.16	-70.01
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CC1C[N@H+](C)CC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)O1	REAL300006802136	1	45	0.0	-99.44	363.92	8.98	-90.46
CC1C[N@@H+](C)CC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)O1	REAL300006802136	1	45	0.0	-101.65	363.41	8.57	-93.08
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CC1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006802144	1	39	0.0	-79.86	341.53	9.52	-70.34
CC(C[NH+]1CCOCC1)C(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006802146	1	48	0.0	-79.83	382.80	8.76	-71.07
CC1CC[NH+](CC(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)CC1	REAL300006802165	1	47	0.0	-86.13	374.66	10.40	-75.73
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CC[N@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006802176	1	45	0.0	-84.41	360.15	8.74	-75.67
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CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006802225	0	51	0.0	-81.02	392.90	9.00	-72.02
CC[NH+](CC)CC(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006802239	0	43	0.0	-82.97	348.18	9.27	-73.70
CC(C)[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)CC1	REAL300006802241	0	50	0.0	-88.89	391.01	10.74	-78.15
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CCC(C(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1)[NH+](C)C	REAL300006802317	0	43	0.0	-82.75	344.71	9.07	-73.68
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C[NH+](C)C1(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)CCC1	REAL300006802390	0	44	0.0	-90.17	343.01	9.38	-80.79
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CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006802412	0	50	0.0	-80.32	393.36	10.89	-69.43
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CC(C)[C@@H](C(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1)[NH+](C)C	REAL300006802512	0	46	0.0	-81.54	356.30	9.47	-72.07
C[NH+](C)CC1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)=NO1	REAL300006802544	1	43	0.0	-89.36	370.14	8.89	-80.47
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006802555	0	47	0.0	-81.69	364.50	9.93	-71.76
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006802555	1	47	0.0	-79.62	370.86	10.04	-69.58
C[NH+]1CCC(OCC(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)CC1	REAL300006802572	0	48	0.0	-92.56	392.04	9.90	-82.66
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006802697	0	50	0.0	-77.08	389.57	11.15	-65.93
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006802697	1	50	0.0	-84.99	395.83	10.92	-74.07
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006802717	0	50	0.0	-83.73	386.66	11.01	-72.72
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300006802717	1	50	0.0	-81.07	396.80	11.08	-69.99
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006802882	0	50	0.0	-76.43	384.70	10.91	-65.52
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006802882	1	50	0.0	-77.09	384.72	10.91	-66.18
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)N1	REAL300006802901	1	45	0.0	-80.77	382.33	9.19	-71.58
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)=C1	REAL300006803236	0	50	0.0	-86.03	413.73	12.09	-73.94
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006803342	0	44	0.0	-85.60	361.63	9.66	-75.94
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)CC1	REAL300006803346	0	50	0.0	-77.50	384.38	10.61	-66.89
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006803398	0	53	0.0	-78.61	407.01	11.82	-66.79
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006803398	1	53	0.0	-78.61	407.01	11.82	-66.79
CC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006803399	0	47	0.0	-77.17	368.07	10.38	-66.79
CC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006803399	1	47	0.0	-77.17	368.07	10.38	-66.79
C[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006803404	0	44	0.0	-86.21	356.70	9.52	-76.69
C[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006803404	1	44	0.0	-86.21	356.70	9.52	-76.69
CN(C)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)O1	REAL300006803406	0	44	0.0	-91.47	376.56	9.49	-81.98
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)O1	REAL300006803406	1	44	0.0	-91.47	376.56	9.49	-81.98
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006803412	0	53	0.0	-88.57	402.08	11.02	-77.55
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C1	REAL300006803412	1	53	0.0	-88.57	402.08	11.02	-77.55
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O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300006803415	1	46	0.0	-86.52	370.05	10.98	-75.54
CC1=NN(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C(=O)N1	REAL300006803495	0	50	0.0	-52.08	375.32	6.81	-45.27
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300006803547	0	46	0.0	-85.96	377.12	10.62	-75.34
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=CC(OCC(=O)[O-])=C3)=CC=C21	REAL300006803548	0	50	0.0	-88.63	408.52	10.86	-77.77
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300006803549	0	46	0.0	-91.11	377.43	10.60	-80.51
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300006803550	0	43	0.0	-83.13	371.72	9.76	-73.37
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=CC(C(=O)[O-])=N3)=CC=C21	REAL300006803551	0	45	0.0	-87.08	375.54	8.87	-78.21
C[NH+](C)CCN1C=NC2=CC(NC(=O)CCC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300006803552	0	52	0.0	-91.54	423.50	12.08	-79.46
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=NC(C(=O)[O-])=C3)=CC=C21	REAL300006803553	0	45	0.0	-93.04	373.24	8.84	-84.20
C[NH+](C)CCN1C=NC2=CC(NC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300006803554	0	50	0.0	-90.13	411.92	11.80	-78.33
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C21	REAL300006803555	0	48	0.0	-78.81	405.32	11.27	-67.54
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C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C(=O)[O-])O3)=CC=C21	REAL300006803557	0	43	0.0	-82.31	363.54	9.00	-73.31
C[NH+](C)CCN1C=NC2=CC(NC(=O)CCC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300006803558	0	52	0.0	-85.70	414.42	11.82	-73.88
C[NH+](C)CCN1C=NC2=CC(NC(=O)CC3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300006803559	0	49	0.0	-90.76	402.10	11.27	-79.49
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3(C(=O)[O-])CC3)=CC=C21	REAL300006803560	0	43	0.0	-78.76	350.24	9.12	-69.64
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3(C(=O)[O-])CC3)=CC=C21	REAL300006803561	0	43	0.0	-78.76	350.24	9.12	-69.64
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3CCCC(C(=O)[O-])C3)=CC=C21	REAL300006803562	0	52	0.0	-91.18	396.80	10.66	-80.52
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C(=O)[O-])N=C3)=CC=C21	REAL300006803563	0	45	0.0	-87.27	373.31	8.81	-78.46
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C(=O)[O-])C=N3)=CC=C21	REAL300006803564	0	45	0.0	-80.73	374.82	8.87	-71.86
C[NH+](C)CCN1C=NC2=CC(NC(=O)CC(C)(C)CC(=O)[O-])=CC=C21	REAL300006803565	0	51	0.0	-82.81	386.27	10.04	-72.77
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300006803566	0	46	0.0	-84.41	381.95	10.67	-73.74
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CN=C(C(=O)[O-])C=N3)=CC=C21	REAL300006803567	0	44	0.0	-81.67	370.40	7.02	-74.65
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)=CC=C21	REAL300006803568	0	52	0.0	-94.87	403.09	10.83	-84.04
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3CCC(C(=O)[O-])CC3)=CC=C21	REAL300006803569	0	52	0.0	-85.86	403.80	10.82	-75.04
C[NH+](C)CCN1C=NC2=CC(NC(=O)CC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300006803570	0	49	0.0	-91.86	402.09	11.28	-80.58
C[NH+](C)CCN1C=NC2=CC(NC(=O)CN3C=C(C(=O)[O-])N=N3)=CC=C21	REAL300006803571	0	45	0.0	-93.86	379.24	7.27	-86.59
CC1=NC(C(=O)NC2=CC=C3C(=C2)N=CN3CC[NH+](C)C)=CC=C1C(=O)[O-]	REAL300006803572	0	48	0.0	-80.05	390.92	9.41	-70.64
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300006803573	0	46	0.0	-85.96	377.12	10.62	-75.34
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300006803574	0	49	0.0	-102.25	384.62	10.18	-92.07
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=CC(CC(=O)[O-])=C3)=CC=C21	REAL300006803575	0	49	0.0	-86.50	399.30	11.37	-75.13
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=C(CC(=O)[O-])OC=C3)=CC=C21	REAL300006803576	0	46	0.0	-86.25	379.89	9.52	-76.73
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803577	0	49	0.0	-87.26	406.70	10.15	-77.11
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300006803578	0	45	0.0	-83.42	375.02	8.87	-74.55
C[NH+](C)CCN1C=NC2=CC(NC(=O)C34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300006803579	0	47	0.0	-85.15	380.84	10.16	-74.99
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3(C(=O)[O-])CCC3)=CC=C21	REAL300006803580	0	46	0.0	-87.79	364.46	9.59	-78.20
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C[NH+](C)CCN1C=NC2=CC(NC(=O)C(C)(C)CCC(=O)[O-])=CC=C21	REAL300006803602	0	51	0.0	-86.87	395.43	10.14	-76.73
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C[NH+](C)CCN1C=NC2=CC(NC(=O)CN3C=CC(C(=O)[O-])=N3)=CC=C21	REAL300006803613	0	46	0.0	-99.20	383.20	8.78	-90.42
C[NH+](C)CCN1C=NC2=CC(NC(=O)CCCN3C=CC(C(=O)[O-])=N3)=CC=C21	REAL300006803614	0	52	0.0	-101.33	427.11	10.14	-91.19
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])=CC=C21	REAL300006803615	0	46	0.0	-81.52	364.77	9.40	-72.12
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)=CC=C21	REAL300006803616	0	53	0.0	-89.57	420.68	10.44	-79.13
C[NH+](C)CCN1C=NC2=CC(NC(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)=CC=C21	REAL300006803617	0	53	0.0	-85.42	419.93	9.40	-76.02
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])=CC=C21	REAL300006803618	0	46	0.0	-81.52	364.77	9.40	-72.12
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])=CC=C21	REAL300006803619	0	43	0.0	-82.93	350.67	9.00	-73.93
CC1=C(C(=O)NC2=CC=C3C(=C2)N=CN3CC[NH+](C)C)OC(C(=O)[O-])=C1	REAL300006803620	0	46	0.0	-83.14	381.66	9.68	-73.46
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])=CC=C21	REAL300006803621	0	54	0.0	-79.53	407.89	11.88	-67.65
CCC(C(=O)[O-])C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803622	0	45	0.0	-77.70	356.51	9.23	-68.47
CC(C)C(C(=O)[O-])C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803623	0	48	0.0	-80.11	378.40	9.61	-70.50
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])=CC=C21	REAL300006803624	0	52	0.0	-86.78	393.21	11.06	-75.72
C[NH+](C)CCN1C=NC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300006803625	1	54	0.0	-83.84	416.31	8.64	-75.20
C[NH+](C)CCN1C=NC2=CC(NC(=O)CN3CCCC(C(=O)[O-])C3)=CC=C21	REAL300006803625	1	54	0.0	-83.84	416.31	8.64	-75.20
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])=CC=C21	REAL300006803626	0	43	0.0	-95.42	353.82	9.13	-86.29
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)=CC=C21	REAL300006803627	0	53	0.0	-77.66	417.01	12.47	-65.19
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3CC4(CC4C(=O)[O-])C3)=CC=C21	REAL300006803628	0	50	0.0	-84.05	399.84	10.95	-73.10
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300006803629	0	46	0.0	-89.19	369.53	9.61	-79.58
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803630	0	52	0.0	-90.31	406.58	11.70	-78.61
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803631	0	49	0.0	-85.45	393.17	11.28	-74.17
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300006803632	0	49	0.0	-81.85	386.58	10.01	-71.84
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=C(C(=O)[O-])SC=C3)=CC=C21	REAL300006803633	0	43	0.0	-88.80	366.05	10.34	-78.46
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC(C(=O)[O-])=NN3)=CC=C21	REAL300006803634	0	43	0.0	-78.73	362.20	6.96	-71.77
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=NNC(C(=O)[O-])=C3)=CC=C21	REAL300006803634	1	43	0.0	-78.73	362.20	6.96	-71.77
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803635	0	48	0.0	-82.66	382.98	9.36	-73.30
CCCC(C(=O)[O-])C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803636	0	48	0.0	-80.08	383.83	9.82	-70.26
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803637	0	49	0.0	-86.62	392.95	11.29	-75.33
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300006803638	0	46	0.0	-83.83	389.91	11.08	-72.75
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3CC4(CC(C(=O)[O-])C4)C3)=CC=C21	REAL300006803639	0	53	0.0	-96.22	418.37	11.46	-84.76
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=C3C(=C2)N=CN3CC[NH+](C)C)=C1	REAL300006803640	0	49	0.0	-83.86	405.27	8.19	-75.67
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803641	0	47	0.0	-82.74	378.22	10.06	-72.68
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3(C(=O)[O-])CC=CC3)=CC=C21	REAL300006803642	0	47	0.0	-79.39	374.14	10.09	-69.30
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300006803643	0	52	0.0	-85.08	420.72	12.18	-72.90
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=C3C(=C2)N=CN3CC[NH+](C)C)=NN1	REAL300006803644	0	46	0.0	-88.45	375.33	8.46	-79.99
C[NH+](C)CCN1C=NC2=CC(NC(=O)CC3(CC(=O)[O-])CC3)=CC=C21	REAL300006803645	0	49	0.0	-80.24	389.42	10.33	-69.91
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)=CC=C21	REAL300006803646	0	50	0.0	-84.32	411.50	11.10	-73.22
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CSC(C(=O)[O-])=N3)=CC=C21	REAL300006803647	0	42	0.0	-82.59	367.09	7.75	-74.84
COC(C(=O)[O-])C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803648	0	43	0.0	-80.70	353.76	8.23	-72.47
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@@]3(C)C[C@H]3C(=O)[O-])=CC=C21	REAL300006803649	0	46	0.0	-81.68	369.83	9.80	-71.88
CC1=C(C(=O)NC2=CC=C3C(=C2)N=CN3CC[NH+](C)C)C=C(C(=O)[O-])S1	REAL300006803650	0	46	0.0	-84.45	386.70	10.45	-74.00
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803651	0	49	0.0	-83.75	405.39	11.01	-72.74
C[NH+](C)CCN1C=NC2=CC(NC(=O)CCC3=CC=CN=C3C(=O)[O-])=CC=C21	REAL300006803652	0	51	0.0	-91.71	410.90	10.07	-81.64
C[NH+](C)CCN1C=NC2=CC(NC(=O)C34CC(C(=O)[O-])(C3)CO4)=CC=C21	REAL300006803653	0	48	0.0	-81.97	387.72	8.17	-73.80
CC(C(=O)[O-])C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803654	0	42	0.0	-84.99	337.94	9.14	-75.85
C[NH+](C)CCN1C=NC2=CC(NC(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300006803655	0	50	0.0	-90.32	411.92	11.80	-78.52
CC1CC1(C(=O)[O-])C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803656	0	46	0.0	-79.25	364.08	9.87	-69.38
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)=CC=C21	REAL300006803657	0	53	0.0	-77.88	408.79	11.27	-66.61
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803658	0	46	0.0	-89.42	371.53	9.22	-80.20
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)=CC=C21	REAL300006803659	0	47	0.0	-85.37	402.29	9.63	-75.74
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)=CC=C21	REAL300006803660	0	47	0.0	-87.05	402.78	9.75	-77.30
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)=CC=C21	REAL300006803661	0	47	0.0	-84.88	393.96	8.75	-76.13
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803662	0	49	0.0	-88.51	387.42	11.15	-77.36
C[NH+](C)CCN1C=NC2=CC(NC(=O)C=CC3=CC=C(C(=O)[O-])N=C3)=CC=C21	REAL300006803663	0	49	0.0	-92.29	407.39	10.02	-82.27
C=C1CCC1(C(=O)[O-])C(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803664	0	47	0.0	-81.46	379.45	9.88	-71.58
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300006803665	0	43	0.0	-87.80	370.64	9.61	-78.19
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])=CC=C21	REAL300006803666	0	51	0.0	-96.00	397.41	8.88	-87.12
CC(C)[C@]1(C(=O)NC2=CC=C3C(=C2)N=CN3CC[NH+](C)C)C[C@H]1C(=O)[O-]	REAL300006803667	0	52	0.0	-83.77	407.62	10.64	-73.13
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=C2C(=C1)N=CN2CC[NH+](C)C	REAL300006803668	0	52	0.0	-92.85	418.79	11.74	-81.11
C[NH+](C)CCN1C=NC2=CC(NC(=O)CC3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300006803669	0	46	0.0	-89.46	393.64	10.41	-79.05
C[NH+](C)CCN1C=NC2=CC(NC(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300006803670	0	49	0.0	-94.48	406.64	11.31	-83.17
C[NH+](C)CCN1C=NC2=CC(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)=CC=C21	REAL300006803671	0	49	0.0	-85.99	383.81	10.16	-75.83
C[NH+](C)CCN1C=NC2=CC(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)=CC=C21	REAL300006803672	0	56	0.0	-95.58	421.06	11.49	-84.09
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NOC=C3)C2)C1	REAL300006803752	0	43	0.0	-49.00	326.79	7.13	-41.87
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NOC=C3)C2)C1	REAL300006803752	1	43	0.0	-49.00	326.79	7.13	-41.87
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803784	0	50	0.0	-63.23	378.20	11.87	-51.36
CN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803785	0	54	0.0	-74.68	406.29	12.24	-62.44
CN(C(=O)C1=CC=CC(C(=O)[O-])=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803786	0	50	0.0	-62.48	379.87	12.15	-50.33
CN(C(=O)C1=CC=C(C(=O)[O-])S1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803787	0	47	0.0	-66.27	371.73	11.22	-55.05
CN(C(=O)C1=CC=CC(C(=O)[O-])=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803788	0	49	0.0	-55.91	377.76	11.36	-44.55
CN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803789	0	56	0.0	-80.54	429.90	14.05	-66.49
CN(C(=O)C1=CC=NC(C(=O)[O-])=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803790	0	49	0.0	-76.48	375.57	10.39	-66.09
CN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803791	0	54	0.0	-80.91	417.64	13.74	-67.17
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803792	0	52	0.0	-60.84	408.02	12.82	-48.02
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803793	0	52	0.0	-60.84	408.02	12.82	-48.02
CN(C(=O)C1=CC=C(C(=O)[O-])O1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803794	0	47	0.0	-58.03	366.20	10.97	-47.06
CN(C(=O)CCC1=CC=CC=C1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803795	0	56	0.0	-70.09	416.91	13.57	-56.52
CN(C(=O)CC1=CC=CC(C(=O)[O-])=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803796	0	53	0.0	-73.85	404.51	12.96	-60.89
CN(C(=O)C1(C(=O)[O-])CC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803797	0	47	0.0	-54.80	351.03	10.55	-44.25
CN(C(=O)C1(C(=O)[O-])CC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803798	0	47	0.0	-54.80	351.03	10.55	-44.25
CN(C(=O)C1CCCC(C(=O)[O-])C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803799	0	56	0.0	-85.90	404.29	12.46	-73.44
CN(C(=O)C1=CC=C(C(=O)[O-])N=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803800	0	49	0.0	-72.29	375.99	10.40	-61.89
CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803801	0	49	0.0	-61.01	373.87	11.24	-49.77
CN(C(=O)CC(C)(C)CC(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803802	0	55	0.0	-69.53	389.24	11.80	-57.73
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1F)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803803	0	50	0.0	-61.13	383.66	11.96	-49.17
CN(C(=O)C1=CN=C(C(=O)[O-])C=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803804	0	48	0.0	-63.51	372.61	9.53	-53.98
CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803805	0	56	0.0	-70.54	404.65	12.41	-58.13
CN(C(=O)C1CCC(C(=O)[O-])CC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803806	0	56	0.0	-71.57	397.36	12.07	-59.50
CN(C(=O)CC1=CC=C(C(=O)[O-])C=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803807	0	53	0.0	-84.06	406.50	13.81	-70.25
CN(C(=O)CN1C=C(C(=O)[O-])N=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803808	0	49	0.0	-84.82	381.97	8.97	-75.85
CC1=NC(C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300006803809	0	52	0.0	-60.45	391.12	11.73	-48.72
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803810	0	50	0.0	-63.23	378.20	11.87	-51.36
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803811	0	53	0.0	-77.82	384.90	11.73	-66.09
CN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803812	0	53	0.0	-67.04	397.38	12.72	-54.32
CN(C(=O)C1=C(CC(=O)[O-])OC=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803813	0	50	0.0	-81.20	385.40	11.03	-70.17
CC1=COC(CC(=O)[O-])=C1C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803814	0	53	0.0	-35.89	403.13	11.72	-24.17
CN(C(=O)C1=CC(C(=O)[O-])=CC=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803815	0	49	0.0	-66.58	374.05	11.25	-55.33
CN(C(=O)C12CC(C(=O)[O-])(C1)C2)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803816	0	51	0.0	-69.29	372.05	11.66	-57.63
CN(C(=O)C1(C(=O)[O-])CCC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803817	0	50	0.0	-53.03	359.44	10.91	-42.12
CN(C(=O)C(C)(C)C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803818	0	49	0.0	-73.12	350.46	10.94	-62.18
CN(C(=O)CC1CCC(C(=O)[O-])CC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803819	0	59	0.0	-71.01	416.60	13.03	-57.98
CN(C(=O)C12CCC(C(=O)[O-])(CC1)C2)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803820	0	57	0.0	-80.10	406.47	13.10	-67.00
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803821	0	60	0.0	-76.28	415.99	13.46	-62.82
CN(C(=O)CC(C)(C)CC(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803822	0	55	0.0	-69.53	389.24	11.80	-57.73
CN(C(=O)CCCC(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803823	0	49	0.0	-71.38	366.43	10.96	-60.42
CC(CC(=O)[O-])CC(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803824	0	52	0.0	-69.91	379.03	11.40	-58.51
CN(C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803825	0	52	0.0	-74.24	400.77	12.14	-62.10
CN(C(=O)C1=NOC(C(=O)[O-])=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803826	0	46	0.0	-57.91	361.06	10.39	-47.52
CN(C(=O)C1(C(=O)[O-])CCCC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803827	0	53	0.0	-60.19	376.29	11.43	-48.76
CC1=C(C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300006803828	0	50	0.0	-63.03	377.57	11.13	-51.90
CC1=C(C(=O)[O-])OC(C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300006803829	0	50	0.0	-58.07	381.26	11.41	-46.66
CN(C(=O)CN1C=C(C(=O)[O-])C=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803830	0	50	0.0	-85.98	390.58	10.66	-75.32
CN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803831	0	51	0.0	-62.64	396.47	12.03	-50.61
CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803832	0	57	0.0	-52.78	403.80	12.61	-40.17
CN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803833	0	54	0.0	-69.72	408.45	12.30	-57.42
CN(C(=O)CCSCC(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803834	0	50	0.0	-68.47	389.46	11.55	-56.92
CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803835	0	49	0.0	-61.01	373.87	11.24	-49.77
CN(C(=O)COCC(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803836	0	47	0.0	-73.13	358.56	10.17	-62.96
CN(C(=O)C1=CC(C(=O)[O-])=NN1C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803837	0	50	0.0	-71.19	379.54	10.44	-60.75
C[C@@H]1C[C@H](C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)O[C@H]1C(=O)[O-]	REAL300006803838	0	54	0.0	-71.52	392.25	11.62	-59.90
CN(C(=O)C(C)(C)CCC(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803839	0	55	0.0	-76.06	388.13	11.38	-64.68
CN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803840	0	53	0.0	-66.52	399.99	12.76	-53.76
CN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803841	0	54	0.0	-73.65	409.54	13.31	-60.34
CN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803842	0	51	0.0	-73.20	400.24	12.53	-60.67
CN(C(=O)C1=CC=CC=C1CCC(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803843	0	56	0.0	-78.06	416.80	13.50	-64.56
CN(C(=O)COCC1=C(C(=O)[O-])N=CO1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803844	0	53	0.0	-82.78	416.61	8.33	-74.45
CN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803845	0	51	0.0	-66.61	400.14	12.15	-54.46
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803846	0	53	0.0	-77.82	384.90	11.73	-66.09
CC1=CC=C(C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006803847	0	53	0.0	-70.45	395.64	12.85	-57.60
CN(C(=O)C1=CN=CC(C(=O)[O-])=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803848	0	49	0.0	-60.61	372.56	10.22	-50.39
CC1=NC=C(C(=O)[O-])C=C1C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803849	0	52	0.0	-56.27	392.60	10.90	-45.37
CN(C(=O)CN1C=CC(C(=O)[O-])=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803850	0	50	0.0	-99.49	389.91	10.68	-88.81
CN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803851	0	56	0.0	-98.45	433.52	12.10	-86.35
CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803852	0	50	0.0	-77.12	353.06	12.09	-65.03
CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803853	0	57	0.0	-78.29	414.85	12.10	-66.19
CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803854	0	57	0.0	-77.66	426.81	11.19	-66.47
CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803855	0	50	0.0	-77.12	353.06	12.09	-65.03
CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803856	0	47	0.0	-74.02	351.26	11.71	-62.31
CC1=C(C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)OC(C(=O)[O-])=C1	REAL300006803857	0	50	0.0	-58.18	381.83	11.47	-46.71
CN(C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803858	0	58	0.0	-61.26	408.35	13.35	-47.91
CCC(C(=O)[O-])C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803859	0	49	0.0	-44.78	360.41	10.64	-34.14
CC(C)C(C(=O)[O-])C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803860	0	52	0.0	-72.13	384.90	11.94	-60.19
CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803861	0	56	0.0	-59.58	387.39	12.69	-46.89
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803862	1	58	0.0	-72.02	423.19	10.40	-61.62
CN(C(=O)CN1CCCC(C(=O)[O-])C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803862	1	58	0.0	-72.02	423.19	10.40	-61.62
CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803863	0	47	0.0	-68.04	356.09	10.83	-57.21
CN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803864	0	57	0.0	-61.93	425.81	14.15	-47.78
CN(C(=O)C1CC2(CC2C(=O)[O-])C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803865	0	54	0.0	-60.32	400.62	12.64	-47.68
CN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803866	0	50	0.0	-68.86	360.19	11.41	-57.45
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803867	0	56	0.0	-73.49	410.41	14.10	-59.39
CC1=CC=C(C(=O)[O-])C=C1C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803868	0	53	0.0	-67.04	399.37	12.85	-54.19
CN(C(=O)C1CC(C)(C(=O)[O-])C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803869	0	53	0.0	-67.39	390.58	12.51	-54.88
CN(C(=O)C1=C(C(=O)[O-])SC=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803870	0	47	0.0	-78.92	372.42	11.93	-66.99
CN(C(=O)C1=CC(C(=O)[O-])=NN1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803871	0	47	0.0	-80.09	356.64	9.25	-70.84
CC1=C(C(=O)[O-])C=NC=C1C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803872	0	52	0.0	-63.80	389.37	10.91	-52.89
CCCC(C(=O)[O-])C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803873	0	52	0.0	-38.71	374.81	12.15	-26.56
CC1=CC(C(=O)[O-])=CC=C1C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803874	0	53	0.0	-70.73	396.88	12.67	-58.06
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803875	0	50	0.0	-60.23	392.32	12.41	-47.82
CN(C(=O)C1CC2(CC(C(=O)[O-])C2)C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803876	0	57	0.0	-74.35	419.00	13.07	-61.28
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300006803877	0	53	0.0	-56.27	410.77	11.48	-44.79
CN(C(=O)C1=CC=C(C(=O)[O-])N1C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803878	0	51	0.0	-72.81	382.97	12.16	-60.65
CN(C(=O)C1(C(=O)[O-])CC=CC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803879	0	51	0.0	-64.82	366.38	11.97	-52.85
CN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803880	0	56	0.0	-67.19	421.39	13.57	-53.62
CC1=NNC(C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)=C1C(=O)[O-]	REAL300006803881	0	50	0.0	-66.69	377.88	10.70	-55.99
CC1=C(C(=O)[O-])C(C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)=NN1	REAL300006803881	1	50	0.0	-66.69	377.88	10.70	-55.99
CN(C(=O)CC1(CC(=O)[O-])CC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803882	0	53	0.0	-75.62	393.75	12.73	-62.89
CN(C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803883	0	54	0.0	-73.36	412.31	12.76	-60.60
CN(C(=O)C1=CSC(C(=O)[O-])=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803884	0	46	0.0	-53.34	366.38	10.09	-43.25
COC(C(=O)[O-])C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803885	0	47	0.0	-65.61	344.53	10.13	-55.48
CN(C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803886	0	50	0.0	-61.72	360.23	12.04	-49.68
CC1=C(C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300006803887	0	50	0.0	-62.36	393.89	11.93	-50.43
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803888	0	53	0.0	-68.19	406.47	13.32	-54.87
CN(C(=O)CCC1=CC=CN=C1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803889	0	55	0.0	-79.20	418.29	11.86	-67.34
CN(C(=O)C12CC(C(=O)[O-])(C1)CO2)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803890	0	52	0.0	-66.61	390.78	10.90	-55.71
CC(C(=O)[O-])C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803891	0	46	0.0	-64.03	337.99	10.49	-53.54
CN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803892	0	54	0.0	-75.83	416.79	13.72	-62.11
CC1CC1(C(=O)[O-])C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803893	0	50	0.0	-43.81	367.75	11.91	-31.90
CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803894	0	57	0.0	-52.78	403.80	12.61	-40.17
CN(C(=O)C1=C(C(=O)[O-])C=NN1C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803895	0	50	0.0	-73.17	385.78	9.74	-63.43
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803896	0	51	0.0	-63.74	405.26	11.67	-52.07
CN(C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803897	0	51	0.0	-73.80	403.06	11.93	-61.87
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803898	0	51	0.0	-66.45	396.60	10.81	-55.64
CC1=C(C(=O)[O-])C=CC=C1C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803899	0	53	0.0	-82.93	394.66	13.23	-69.70
CN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803900	0	53	0.0	-81.69	413.41	11.96	-69.73
C=C1CCC1(C(=O)[O-])C(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803901	0	51	0.0	-47.42	376.27	11.29	-36.13
CN(C(=O)C1=CC(C(=O)[O-])=CS1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803902	0	47	0.0	-77.16	370.64	11.07	-66.09
CN(C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803903	0	55	0.0	-69.80	397.12	10.44	-59.36
CC(C)[C@]1(C(=O)N(C)[C@H](C[NH+]2CCCC2)C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006803904	0	56	0.0	-72.72	396.23	12.73	-59.99
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803905	0	56	0.0	-91.54	425.38	13.53	-78.01
CN(C(=O)CC1=CC(C(=O)[O-])=CS1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803906	0	50	0.0	-75.77	396.37	12.17	-63.60
CN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803907	0	53	0.0	-86.54	409.36	13.06	-73.48
CN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803908	0	53	0.0	-45.78	369.18	12.42	-33.36
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006803909	0	60	0.0	-76.28	415.99	13.46	-62.82
O=C([O-])C1CCCN(CC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(F)(F)F)C1	REAL300006803979	0	50	0.0	-48.59	364.36	10.21	-38.38
O=C([O-])C1CCC[N@H+](CC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(F)(F)F)C1	REAL300006803979	1	50	0.0	-52.24	358.38	10.21	-42.03
O=C([O-])C1CCC[N@@H+](CC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(F)(F)F)C1	REAL300006803979	1	50	0.0	-52.24	358.38	10.21	-42.03
CCC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCCC1	REAL300006804053	0	52	0.0	-46.12	347.77	9.69	-36.43
CCC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCCC1	REAL300006804053	1	52	0.0	-46.69	351.23	9.96	-36.73
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC(O)=CC=C2Br)C1	REAL300006804156	0	44	0.0	-51.61	359.19	5.75	-45.86
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC(O)=CC=C2Br)C1	REAL300006804156	1	44	0.0	-51.14	365.35	5.77	-45.37
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CN=C2CCCCN12	REAL300006804276	0	50	0.0	-50.08	372.19	8.31	-41.77
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CN=C2CCCCN12	REAL300006804276	1	50	0.0	-50.93	367.16	8.21	-42.72
COCC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC=CCC1	REAL300006804487	0	48	0.0	-44.92	354.32	6.94	-37.98
COCC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC=CCC1	REAL300006804487	1	48	0.0	-44.81	348.88	6.97	-37.84
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C=C2OCC2CCCCC2)C1	REAL300006804574	1	57	0.0	-47.42	423.98	11.13	-36.29
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C=C2OCC2CCCCC2)C1	REAL300006804574	1	57	0.0	-46.90	423.16	10.69	-36.21
COC1=NC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2C=C1	REAL300006804682	0	46	0.0	-53.60	363.23	6.19	-47.41
COC1=NC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2C=C1	REAL300006804682	1	46	0.0	-51.61	358.06	6.20	-45.41
CN1N=CC=C1C12CC(C1)CN2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006804810	0	48	0.0	-51.70	363.31	8.55	-43.15
CN1N=CC=C1C12CC(C1)CN2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006804810	1	48	0.0	-52.42	363.29	8.61	-43.81
CC(C)(CO)C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006804892	0	50	0.0	-47.71	352.70	6.45	-41.26
CC(C)(CO)C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006804892	1	50	0.0	-44.64	345.93	6.01	-38.63
COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006805001	0	48	0.0	-47.89	353.02	7.83	-40.06
COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006805001	1	48	0.0	-46.88	352.92	7.91	-38.97
COC1=CC2=C(C=C1O)CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2C	REAL300006805102	0	52	0.0	-52.99	392.29	7.48	-45.51
COC1=CC2=C(C=C1O)CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2C	REAL300006805102	1	52	0.0	-49.50	384.85	7.04	-42.46
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300006806331	0	54	0.0	-67.34	408.83	10.40	-56.94
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300006807002	0	51	0.0	-56.40	389.07	9.59	-46.81
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300006807002	1	51	0.0	-57.53	388.73	9.59	-47.94
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300006807927	0	48	0.0	-62.40	357.46	8.08	-54.32
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300006807954	0	45	0.0	-55.13	343.77	7.46	-47.67
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300006807954	1	45	0.0	-57.76	341.85	7.68	-50.08
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)CN21	REAL300006807960	1	46	0.0	-60.16	355.91	7.91	-52.25
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300006807961	0	54	0.0	-99.37	404.33	10.09	-89.28
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCCC[N@@H+]1C)C2	REAL300006808043	0	44	0.0	-60.30	321.46	6.57	-53.73
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCCC[N@H+]1C)C2	REAL300006808043	1	44	0.0	-61.09	325.26	6.74	-54.35
CC(C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)N1CC[NH+](C)CC1	REAL300006808044	1	49	0.0	-71.23	362.17	5.13	-66.10
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2	REAL300006808088	0	44	0.0	-60.30	321.48	6.57	-53.73
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2	REAL300006808088	1	44	0.0	-59.15	332.94	7.07	-52.08
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1(C)CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300006808146	0	57	0.0	-68.52	417.53	10.48	-58.04
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CC[NH+](C)CC1)C2	REAL300006808180	0	44	0.0	-65.18	332.60	6.88	-58.30
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300006808206	0	39	0.0	-65.05	327.27	8.85	-56.20
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2	REAL300006808240	0	53	0.0	-62.42	366.45	8.95	-53.47
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CC[N@H+](C)C1CCCCC1)C2	REAL300006808245	0	53	0.0	-62.84	391.00	9.15	-53.69
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C2	REAL300006808245	1	53	0.0	-62.47	390.99	9.15	-53.32
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300006808263	1	51	0.0	-60.14	395.19	9.65	-50.49
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300006808263	1	51	0.0	-62.17	396.40	9.69	-52.48
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CC[NH+](C)CC1)C2	REAL300006808317	0	44	0.0	-65.18	332.60	6.88	-58.30
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300006808322	0	47	0.0	-68.99	378.75	7.74	-61.25
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300006808346	0	54	0.0	-57.66	387.00	9.20	-48.46
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300006808346	1	54	0.0	-57.49	383.83	9.12	-48.37
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300006808347	0	55	0.0	-66.87	399.84	7.47	-59.40
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006808380	1	45	0.0	-64.61	363.55	8.45	-56.16
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CCCC[NH+]1CCOCC1)C2	REAL300006808381	1	51	0.0	-70.49	390.85	7.13	-63.36
CC[N@H+](CC1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1)C(C)C	REAL300006808384	0	56	0.0	-63.90	418.06	10.28	-53.62
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1)C(C)C	REAL300006808384	1	56	0.0	-67.78	409.46	9.85	-57.93
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006808433	0	51	0.0	-65.54	392.36	9.74	-55.80
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006808433	1	51	0.0	-65.35	393.91	9.83	-55.52
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300006808434	0	52	0.0	-68.28	391.84	9.11	-59.17
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C2	REAL300006808461	1	56	0.0	-73.22	424.27	8.37	-64.85
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2	REAL300006808462	0	55	0.0	-64.57	389.34	7.40	-57.17
CCC(C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)[NH+](CC)CC	REAL300006808466	0	49	0.0	-57.68	356.09	7.69	-49.99
CC(C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)[N@H+](C)CC1=CC=CC=C1	REAL300006808468	0	50	0.0	-58.91	385.47	9.43	-49.48
CC(C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)[N@@H+](C)CC1=CC=CC=C1	REAL300006808468	1	50	0.0	-60.37	385.39	9.39	-50.98
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300006808480	0	57	0.0	-63.37	427.01	11.36	-52.01
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300006808480	1	57	0.0	-65.82	426.33	11.48	-54.34
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)C2	REAL300006808502	0	46	0.0	-64.16	365.87	7.19	-56.97
CCC[NH+](CCC)CCCC(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006808511	0	55	0.0	-66.55	410.67	9.46	-57.09
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C2	REAL300006808512	1	55	0.0	-59.92	415.65	7.19	-52.73
CC[N@H+](C)C(C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)C1=CC=CC=C1	REAL300006808513	0	50	0.0	-58.35	378.57	9.33	-49.02
CC[N@@H+](C)C(C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)C1=CC=CC=C1	REAL300006808513	1	50	0.0	-62.06	375.39	9.47	-52.59
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1C[N@H+](C)CCO1)C2	REAL300006808515	1	42	0.0	-61.92	325.26	5.71	-56.21
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1C[N@@H+](C)CCO1)C2	REAL300006808515	1	42	0.0	-62.72	319.05	5.58	-57.14
CC[NH+](CC)C(C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)C1=CC=CC=C1	REAL300006808518	0	53	0.0	-60.27	387.56	9.75	-50.52
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006808527	1	45	0.0	-59.17	358.22	8.23	-50.94
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C2	REAL300006808532	1	47	0.0	-62.15	377.55	9.22	-52.93
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300006808545	0	51	0.0	-70.66	393.70	9.76	-60.90
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300006808553	0	54	0.0	-72.61	411.71	10.51	-62.10
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1(C[NH+](C)C)CC1)C2	REAL300006808560	0	44	0.0	-62.28	341.46	7.07	-55.21
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CCCC[NH+](C)C)C2	REAL300006808570	0	46	0.0	-69.44	357.94	7.67	-61.77
CC(C)C(C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)[NH+](C)C	REAL300006808579	0	46	0.0	-61.93	336.94	7.07	-54.86
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CC1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006808581	1	55	0.0	-70.76	426.85	10.07	-60.69
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CC1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006808581	1	55	0.0	-69.06	420.94	10.06	-59.00
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300006808593	0	54	0.0	-58.09	408.89	10.55	-47.54
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300006808593	1	54	0.0	-55.63	409.62	10.63	-45.00
CC1=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=NN1C1=CC=[NH+]C=C1	REAL300006808595	1	45	0.0	-81.34	367.62	7.05	-74.29
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300006808603	0	54	0.0	-70.60	410.44	10.47	-60.13
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300006808617	1	47	0.0	-80.08	374.28	7.99	-72.09
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C2	REAL300006808618	0	50	0.0	-76.02	391.60	9.47	-66.55
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006808630	1	43	0.0	-56.05	343.77	6.13	-49.92
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006808632	1	52	0.0	-61.27	402.70	9.30	-51.97
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006808632	1	52	0.0	-61.75	395.82	9.14	-52.61
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C[N@H+](C)C1CCC1)C2	REAL300006808663	0	44	0.0	-59.14	338.81	7.47	-51.67
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C[N@@H+](C)C1CCC1)C2	REAL300006808663	1	44	0.0	-59.50	338.67	7.46	-52.04
CC(C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)[NH+]1CCSCC1	REAL300006808689	1	45	0.0	-60.61	349.34	7.39	-53.22
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2	REAL300006808695	0	49	0.0	-59.19	362.35	8.04	-51.15
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2	REAL300006808695	1	49	0.0	-59.55	360.41	7.89	-51.66
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C2	REAL300006808697	0	50	0.0	-64.84	391.71	9.91	-54.93
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C2	REAL300006808697	1	50	0.0	-64.90	391.71	9.91	-54.99
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CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C2	REAL300006809362	1	47	0.0	-62.03	369.23	9.07	-52.96
CC(C)[C@@H](C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)[NH+](C)C	REAL300006809373	0	46	0.0	-59.99	335.00	7.17	-52.82
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300006809391	1	42	0.0	-79.83	348.84	6.59	-73.24
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=NOC(C[NH+](C)C)=C1)C2	REAL300006809421	1	43	0.0	-82.01	348.93	6.84	-75.17
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006809425	0	54	0.0	-60.39	415.17	10.44	-49.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006809425	1	54	0.0	-65.75	413.82	10.80	-54.95
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006809441	0	47	0.0	-57.82	348.27	7.40	-50.42
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006809441	1	47	0.0	-58.30	347.62	7.42	-50.88
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C2	REAL300006809449	0	55	0.0	-76.02	434.11	9.99	-66.03
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)COC1CC[NH+](C)CC1)C2	REAL300006809468	0	48	0.0	-72.15	372.53	7.66	-64.49
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300006809473	0	51	0.0	-62.09	394.87	9.18	-52.91
CCC[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C1	REAL300006809671	0	50	0.0	-94.00	376.05	8.43	-85.57
CCC[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C1	REAL300006809671	1	50	0.0	-82.78	367.54	8.55	-74.23
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006809704	0	50	0.0	-57.97	373.37	8.45	-49.52
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006809704	1	50	0.0	-57.61	374.52	8.44	-49.17
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C[NH+]1CCC(CO)CC1)C2	REAL300006809705	0	48	0.0	-61.46	366.10	4.66	-56.80
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)C2	REAL300006809813	0	55	0.0	-103.33	412.14	10.59	-92.74
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)C2	REAL300006809813	1	55	0.0	-58.43	419.34	10.74	-47.69
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C1	REAL300006809947	0	50	0.0	-61.42	360.82	8.18	-53.24
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C1	REAL300006809947	1	50	0.0	-62.01	366.90	8.00	-54.01
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C2	REAL300006809948	0	44	0.0	-73.45	341.95	7.00	-66.45
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C2	REAL300006809948	1	44	0.0	-70.77	340.67	7.36	-63.41
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)N1	REAL300006809973	1	45	0.0	-59.57	362.82	6.82	-52.75
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC(CC[NH+](C)C)=CC=C1)C2	REAL300006810480	0	50	0.0	-66.75	391.36	9.45	-57.30
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C2	REAL300006810487	0	51	0.0	-72.13	398.32	8.40	-63.73
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300006810585	0	57	0.0	-71.45	432.25	11.48	-59.97
CC1CN(CC2=CC=C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)C=C2)CCO1	REAL300006810587	0	55	0.0	-69.41	424.23	8.86	-60.55
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)C=C2)CCO1	REAL300006810587	1	55	0.0	-73.09	423.85	8.85	-64.24
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)C=C2)CCO1	REAL300006810587	1	55	0.0	-73.09	423.85	8.85	-64.24
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C2	REAL300006810632	0	44	0.0	-65.59	341.45	7.21	-58.38
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C2	REAL300006810636	0	50	0.0	-84.56	362.18	7.99	-76.57
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)=CN21	REAL300006810640	0	42	0.0	-61.37	348.69	8.64	-52.73
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C1	REAL300006810707	0	53	0.0	-62.25	383.10	9.11	-53.14
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C1	REAL300006810707	1	53	0.0	-83.90	381.10	9.13	-74.77
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C1	REAL300006810708	0	47	0.0	-93.28	353.80	7.65	-85.63
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C1	REAL300006810708	1	47	0.0	-82.41	346.07	7.86	-74.55
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC[N@H+](C)C1)C2	REAL300006810712	0	44	0.0	-65.31	333.38	6.86	-58.45
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1CCC[N@@H+](C)C1)C2	REAL300006810712	1	44	0.0	-65.75	337.01	7.03	-58.72
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(C[NH+](C)C)O1)C2	REAL300006810714	1	44	0.0	-64.69	353.28	7.30	-57.39
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C(C)(C)C1CCC[N@H+](C)C1)C2	REAL300006810720	0	53	0.0	-56.96	370.72	7.66	-49.30
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C(C)(C)C1CCC[N@@H+](C)C1)C2	REAL300006810720	1	53	0.0	-98.54	364.63	7.64	-90.90
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300006810723	1	46	0.0	-53.22	345.91	8.67	-44.55
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006810806	1	48	0.0	-49.54	388.71	8.75	-40.79
CC1(CO)CC(F)(F)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006810912	1	44	0.0	-51.00	336.83	5.01	-45.99
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O=C([O-])C1(C2=CC=C(NC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C=C2)CCC1	REAL300006812594	0	57	0.0	-87.02	430.36	13.01	-74.01
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C=C2)CCC1	REAL300006813166	0	54	0.0	-73.19	414.59	12.46	-60.73
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C=C2)CCC1	REAL300006813166	1	54	0.0	-72.48	413.39	12.45	-60.03
O=C([O-])C1(C2=CC=C(NC(=O)C3CC[NH+](C4CC4)CC3)C=C2)CCC1	REAL300006814023	0	51	0.0	-80.83	378.93	10.63	-70.20
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@@H+]3C3CC3)C=C2)CCC1	REAL300006814049	0	48	0.0	-68.86	367.00	10.29	-58.57
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@H+]3C3CC3)C=C2)CCC1	REAL300006814049	1	48	0.0	-69.03	362.34	10.14	-58.89
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C4(C(=O)[O-])CCC4)C=C3)CN21	REAL300006814055	1	49	0.0	-72.05	377.62	10.51	-61.54
O=C([O-])C1(C2=CC=C(NC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C=C2)CCC1	REAL300006814056	0	57	0.0	-76.27	430.31	12.92	-63.35
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1	REAL300006814135	1	47	0.0	-74.87	342.26	9.22	-65.65
C[N@H+]1CCCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1	REAL300006814135	1	47	0.0	-73.63	342.20	9.19	-64.44
CC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1)N1CC[NH+](C)CC1	REAL300006814136	1	52	0.0	-75.29	383.06	7.62	-67.67
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1	REAL300006814177	1	47	0.0	-70.57	355.14	9.47	-61.10
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1	REAL300006814177	1	47	0.0	-73.66	342.16	9.19	-64.47
C[NH+]1CCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)CC1	REAL300006814261	0	47	0.0	-83.64	354.10	9.43	-74.21
O=C([O-])C1(C2=CC=C(NC(=O)C3=CN4C=[NH+]C=C4C=C3)C=C2)CCC1	REAL300006814290	0	42	0.0	-75.32	339.93	11.29	-64.03
C[NH+](C)CC1(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)CCCCC1	REAL300006814325	0	56	0.0	-70.50	396.43	11.16	-59.34
C[N@H+](CCC(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1)C1CCCCC1	REAL300006814330	0	56	0.0	-78.53	408.15	11.37	-67.16
C[N@@H+](CCC(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1)C1CCCCC1	REAL300006814330	1	56	0.0	-80.14	408.16	11.37	-68.77
C[N@@H+]1CCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1	REAL300006814346	0	44	0.0	-70.97	335.03	8.82	-62.15
C[N@H+]1CCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1	REAL300006814346	1	44	0.0	-70.99	335.85	8.84	-62.15
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)C=C2)CCC1	REAL300006814351	1	54	0.0	-76.32	419.21	12.13	-64.19
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)C=C2)CCC1	REAL300006814351	1	54	0.0	-79.02	414.01	11.97	-67.05
C[NH+]1CCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)CC1	REAL300006814402	0	47	0.0	-83.64	354.10	9.43	-74.21
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C=C2)CCC1	REAL300006814406	0	50	0.0	-78.56	398.19	10.41	-68.15
O=C([O-])C1(C2=CC=C(NC(=O)C3CCCC[N@@H+]3C3CCCC3)C=C2)CCC1	REAL300006814426	0	57	0.0	-71.62	402.17	11.71	-59.91
O=C([O-])C1(C2=CC=C(NC(=O)C3CCCC[N@H+]3C3CCCC3)C=C2)CCC1	REAL300006814426	1	57	0.0	-68.01	410.28	11.66	-56.35
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC([NH+]4CCOCC4)CC3)C=C2)CCC1	REAL300006814427	0	58	0.0	-85.26	421.25	10.05	-75.21
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1	REAL300006814462	1	48	0.0	-75.98	380.72	10.69	-65.29
O=C([O-])C1(C2=CC=C(NC(=O)CCCC[NH+]3CCOCC3)C=C2)CCC1	REAL300006814463	1	54	0.0	-82.41	408.00	9.37	-73.04
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)C=C1)C(C)C	REAL300006814466	0	59	0.0	-86.95	435.54	12.88	-74.07
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)C=C1)C(C)C	REAL300006814466	1	59	0.0	-86.90	427.18	12.47	-74.43
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1	REAL300006814469	0	44	0.0	-77.05	329.74	8.33	-68.72
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1	REAL300006814469	1	44	0.0	-72.03	337.80	8.88	-63.15
C[NH+](C)C1(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)CC1	REAL300006814478	1	44	0.0	-74.08	335.96	8.36	-65.72
O=C([O-])C1(C2=CC=C(NC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C=C2)CCC1	REAL300006814524	0	54	0.0	-79.08	416.25	12.27	-66.81
O=C([O-])C1(C2=CC=C(NC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C=C2)CCC1	REAL300006814524	1	54	0.0	-77.28	416.18	12.23	-65.05
O=C([O-])C1(C2=CC=C(NC(=O)C3CC[NH+](C4CCSC4)CC3)C=C2)CCC1	REAL300006814525	0	55	0.0	-88.40	413.08	11.67	-76.73
O=C([O-])C1(C2=CC=C(NC(=O)CC3([NH+]4CCOCC4)CCCC3)C=C2)CCC1	REAL300006814549	0	58	0.0	-77.80	402.68	9.45	-68.35
CCC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1)[NH+](CC)CC	REAL300006814553	0	52	0.0	-67.36	374.26	10.21	-57.15
CC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300006814555	0	53	0.0	-78.52	404.64	11.77	-66.75
CC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006814555	1	53	0.0	-78.85	404.40	11.76	-67.09
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CC(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006824889	0	49	0.0	-61.81	396.18	10.96	-50.85
CC(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006824889	1	49	0.0	-60.53	395.78	11.02	-49.51
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CCC[NH+](CCC)CCCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006824932	0	54	0.0	-71.28	423.83	11.18	-60.10
CC[N@H+](C)C(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300006824933	0	49	0.0	-60.22	393.54	11.19	-49.03
CC[N@@H+](C)C(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300006824933	1	49	0.0	-54.06	394.41	11.15	-42.91
C[N@@H+]1CCOC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006824935	1	41	0.0	-65.30	331.23	7.23	-58.07
C[N@H+]1CCOC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006824935	1	41	0.0	-75.18	331.49	7.26	-67.92
CC[NH+](CC)C(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300006824938	0	52	0.0	-64.91	400.67	11.46	-53.45
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006824947	1	44	0.0	-60.32	366.92	9.70	-50.62
C[NH+](C)C(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300006824952	1	46	0.0	-65.17	392.73	10.97	-54.20
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C[NH+](C)CCCCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006824988	0	45	0.0	-75.35	366.39	9.16	-66.19
CC(C)C(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+](C)C	REAL300006824997	0	45	0.0	-59.93	344.70	9.03	-50.90
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CC1=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006825012	1	44	0.0	-77.76	375.37	8.82	-68.94
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006825020	0	53	0.0	-86.35	420.67	12.26	-74.09
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006825034	1	46	0.0	-74.60	384.61	9.06	-65.54
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300006825035	0	49	0.0	-87.63	401.91	11.28	-76.35
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825047	1	42	0.0	-55.39	350.51	8.04	-47.35
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O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006825049	1	51	0.0	-77.96	402.63	10.61	-67.35
C[N@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCC1	REAL300006825080	0	43	0.0	-60.28	347.49	8.95	-51.33
C[N@@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCC1	REAL300006825080	1	43	0.0	-59.17	347.14	9.00	-50.17
C[N@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC(C)(C)C	REAL300006825110	0	48	0.0	-61.32	368.86	9.44	-51.88
C[N@@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC(C)(C)C	REAL300006825110	1	48	0.0	-61.64	371.05	9.50	-52.14
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825112	0	49	0.0	-64.93	400.41	11.40	-53.53
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825112	1	49	0.0	-64.15	400.16	11.47	-52.68
COCCOCC[N@H+](C)CCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825113	0	53	0.0	-68.53	429.43	7.57	-60.96
COCCOCC[N@@H+](C)CCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825113	1	53	0.0	-71.69	429.45	7.59	-64.10
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006825118	0	47	0.0	-63.95	368.47	7.45	-56.50
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006825118	1	47	0.0	-59.26	370.68	7.35	-51.91
CCCCCC[N@H+](C)CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825142	0	51	0.0	-63.35	404.99	10.72	-52.63
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C[N@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCSC1	REAL300006825176	0	44	0.0	-57.61	360.46	9.26	-48.35
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CC(C)[NH+]1CCN(CCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825193	0	54	0.0	-74.48	416.62	8.13	-66.35
CC(C)N1CC[NH+](CCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825193	1	54	0.0	-68.41	412.93	7.92	-60.49
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825194	0	57	0.0	-71.22	437.88	9.01	-62.21
CC(C)N1CC[NH+](CCCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825194	1	57	0.0	-71.65	434.19	8.78	-62.87
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C[NH+](C)CCN1C=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=N1	REAL300006825197	0	46	0.0	-82.48	385.58	8.44	-74.04
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O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006825209	1	52	0.0	-63.28	416.35	10.33	-52.95
CC(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006825214	1	50	0.0	-55.64	396.01	11.60	-44.04
CC(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006825214	1	50	0.0	-56.31	396.31	11.51	-44.80
CCCC(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+](C)C	REAL300006825235	0	45	0.0	-56.99	352.94	8.79	-48.20
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006825237	0	53	0.0	-75.11	424.11	12.17	-62.94
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006825237	1	53	0.0	-76.11	426.73	12.21	-63.90
C[NH+](C)CCN1C=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300006825252	0	46	0.0	-81.82	385.06	8.50	-73.32
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825253	0	46	0.0	-53.11	380.22	8.39	-44.72
C[C@@H]1[C@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006825259	0	43	0.0	-70.27	333.86	7.92	-62.35
C[C@@H]1[C@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@H+]1C	REAL300006825259	1	43	0.0	-65.70	342.62	8.36	-57.34
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825261	1	47	0.0	-63.79	386.97	10.23	-53.56
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300006825264	0	46	0.0	-73.64	357.35	8.67	-64.97
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@H+]1C	REAL300006825264	1	46	0.0	-62.30	362.90	9.06	-53.24
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825268	1	42	0.0	-55.27	347.89	8.76	-46.51
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825268	1	42	0.0	-52.25	353.55	9.30	-42.95
CC1C[N@H+](C)CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300006825276	1	44	0.0	-74.25	353.03	8.12	-66.13
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300006825276	1	44	0.0	-75.95	353.06	8.13	-67.82
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300006825282	1	49	0.0	-49.57	401.88	10.10	-39.47
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300006825282	1	49	0.0	-51.23	393.91	9.31	-41.92
CC1=[NH+]C=CN1CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825286	1	38	0.0	-53.87	330.39	8.65	-45.22
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825288	0	47	0.0	-62.01	371.68	7.72	-54.29
CC1CC[NH+](CC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825303	0	46	0.0	-61.94	363.99	9.53	-52.41
CC[N@@H+]1CCOC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006825316	1	44	0.0	-65.96	356.17	8.14	-57.82
CC[N@H+]1CCOC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006825316	1	44	0.0	-50.79	349.27	7.90	-42.89
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825354	1	53	0.0	-84.20	418.79	10.39	-73.81
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006825355	0	53	0.0	-57.94	405.87	10.91	-47.03
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006825355	1	53	0.0	-70.12	406.22	10.89	-59.23
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825362	0	46	0.0	-75.07	368.34	9.53	-65.54
C[N@H+]1CCCC1CCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825362	1	46	0.0	-68.83	362.91	9.04	-59.79
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300006825375	0	47	0.0	-67.09	358.60	9.18	-57.91
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825377	1	44	0.0	-76.02	343.56	5.02	-71.00
C[N@H+]1CC(O)CC1(C)C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825377	1	44	0.0	-72.13	343.00	5.07	-67.06
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006825378	0	47	0.0	-62.33	361.81	9.51	-52.82
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300006825378	1	47	0.0	-62.00	361.75	9.51	-52.49
CC(C)(C[NH+]1CCOCC1)C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825385	0	50	0.0	-54.88	382.01	8.06	-46.82
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=N1	REAL300006825390	0	53	0.0	-87.95	417.63	9.35	-78.60
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=N1	REAL300006825390	1	53	0.0	-71.14	424.97	9.85	-61.29
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=C2)CC1	REAL300006825394	0	55	0.0	-73.18	437.86	9.94	-63.24
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C=C2)CC1	REAL300006825395	0	55	0.0	-86.43	436.91	9.77	-76.66
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C=C2)CC1	REAL300006825395	1	55	0.0	-87.17	437.50	9.75	-77.42
CC(C)[NH+]1CCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825404	0	49	0.0	-75.51	376.49	9.59	-65.92
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C12CC[NH+](CC1)C2	REAL300006825485	0	41	0.0	-74.06	332.84	7.48	-66.58
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300006825495	0	44	0.0	-66.79	342.60	8.24	-58.55
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300006825495	1	44	0.0	-82.80	341.80	8.36	-74.44
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825544	0	46	0.0	-59.19	358.30	8.85	-50.34
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300006825545	0	46	0.0	-78.38	379.47	10.44	-67.94
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006825546	0	53	0.0	-57.56	415.26	12.40	-45.16
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006825546	1	53	0.0	-64.63	416.08	12.36	-52.27
C[NH+](C)C1(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CCC1	REAL300006825586	0	43	0.0	-75.37	334.61	8.43	-66.94
C#CC[NH+]1CCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825619	0	45	0.0	-76.16	370.29	9.84	-66.32
CCC[N@@H+]1CCCCC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825621	0	49	0.0	-56.72	373.14	9.78	-46.94
CCC[N@H+]1CCCCC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825621	1	49	0.0	-56.79	373.06	9.79	-47.00
C[NH+](C)CC1=CC=CC=C1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825622	0	46	0.0	-48.10	372.05	10.69	-37.41
CC[NH+]1CCN(CCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825624	0	51	0.0	-75.84	399.13	7.65	-68.19
CCN1CC[NH+](CCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825624	1	51	0.0	-67.77	399.64	7.67	-60.10
CC(C)C(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300006825626	0	52	0.0	-62.74	389.36	10.85	-51.89
C[NH+](C)C(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300006825627	1	46	0.0	-61.90	375.75	10.52	-51.38
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006825631	0	51	0.0	-57.91	414.25	8.45	-49.46
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006825631	1	51	0.0	-59.14	414.31	8.50	-50.64
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825637	1	47	0.0	-62.71	386.44	10.18	-52.53
C[NH+](C)CC1=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])OC2=CC=CC=C21	REAL300006825638	0	49	0.0	-59.16	400.51	10.80	-48.36
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006825643	0	50	0.0	-66.14	370.51	9.94	-56.20
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006825643	1	50	0.0	-56.37	386.88	10.40	-45.97
CC[N@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CC1	REAL300006825645	0	43	0.0	-59.66	350.47	9.00	-50.66
CC[N@@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CC1	REAL300006825645	1	43	0.0	-59.52	347.39	9.00	-50.52
CC(C)C(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300006825674	1	56	0.0	-56.88	420.45	9.97	-46.91
CC(C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006825675	0	49	0.0	-58.48	372.37	9.73	-48.75
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=CC=C1N2	REAL300006825717	1	51	0.0	-80.11	414.15	10.90	-69.21
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=CC=C1N2	REAL300006825717	1	51	0.0	-82.82	414.18	10.94	-71.88
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300006825768	0	49	0.0	-72.24	397.04	9.87	-62.37
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCCC[NH+]1CCCC1	REAL300006825769	0	49	0.0	-73.98	392.60	10.26	-63.72
CC1=CC=C(N2CCC(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300006825771	1	52	0.0	-74.33	415.30	10.04	-64.29
C[N@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300006825772	1	46	0.0	-65.97	377.92	10.55	-55.42
C[N@@H+](CC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300006825772	1	46	0.0	-65.05	377.69	10.63	-54.42
CC(C)[C@@H](C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+](C)C	REAL300006825783	0	45	0.0	-59.34	348.66	9.02	-50.32
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006825801	1	41	0.0	-75.21	359.68	8.44	-66.77
C[NH+](C)CC1=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=NO1	REAL300006825831	1	42	0.0	-76.32	359.31	7.95	-68.37
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825835	0	53	0.0	-78.00	421.19	11.84	-66.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825835	1	53	0.0	-71.67	420.18	11.88	-59.79
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825851	0	46	0.0	-64.92	350.05	9.05	-55.87
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006825851	1	46	0.0	-59.57	359.56	9.00	-50.57
C[NH+]1CCC(OCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006825877	0	47	0.0	-74.60	381.16	9.05	-65.55
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006825882	0	50	0.0	-72.23	405.45	10.60	-61.63
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006826076	0	49	0.0	-60.74	378.69	10.20	-50.54
CCC[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006826076	1	49	0.0	-55.40	378.69	10.19	-45.21
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006826108	0	49	0.0	-54.01	385.77	10.22	-43.79
CC(C)C[N@H+]1CCCC1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006826108	1	49	0.0	-60.81	386.09	10.12	-50.69
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006826109	1	47	0.0	-62.12	374.82	6.22	-55.90
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300006826216	0	54	0.0	-60.52	429.94	12.51	-48.01
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300006826216	1	54	0.0	-60.65	430.78	12.55	-48.10
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006826347	0	49	0.0	-67.68	380.15	9.75	-57.93
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006826347	1	49	0.0	-61.53	380.11	9.76	-51.77
C[N@@H+]1CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006826348	0	43	0.0	-73.49	365.00	8.76	-64.73
C[N@H+]1CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006826348	1	43	0.0	-73.45	347.51	8.90	-64.55
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])N1	REAL300006826374	1	44	0.0	-63.93	371.50	8.25	-55.68
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300006826871	0	49	0.0	-80.33	401.68	11.35	-68.98
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300006826878	0	50	0.0	-86.26	408.97	10.31	-75.95
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006826975	0	56	0.0	-70.88	440.73	12.97	-57.91
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006827021	0	43	0.0	-67.68	350.61	8.76	-58.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300006827025	0	49	0.0	-71.89	373.57	9.66	-62.23
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006827095	0	52	0.0	-61.79	402.39	10.66	-51.13
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006827095	1	52	0.0	-61.79	402.39	10.66	-51.13
CC[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006827096	0	46	0.0	-61.76	362.61	9.27	-52.49
CC[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006827096	1	46	0.0	-61.76	362.61	9.27	-52.49
C[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006827100	0	43	0.0	-69.49	345.84	8.57	-60.92
C[N@H+]1CCCC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006827100	1	43	0.0	-69.49	345.84	8.57	-60.92
CN(C)CC1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300006827102	0	43	0.0	-74.08	364.70	8.68	-65.40
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300006827102	1	43	0.0	-74.08	364.70	8.68	-65.40
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006827108	0	52	0.0	-71.67	383.39	9.71	-61.96
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300006827108	1	52	0.0	-71.67	383.39	9.71	-61.96
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006827111	0	45	0.0	-72.98	335.55	9.21	-63.77
CC1(C(F)F)CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1C(=O)[O-]	REAL300006828301	0	53	0.0	-63.65	401.11	11.03	-52.62
CC1(C(F)F)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300006828980	0	50	0.0	-53.58	378.24	10.16	-43.42
CC1(C(F)F)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300006828980	1	50	0.0	-51.06	376.70	10.09	-40.97
CC1(C(F)F)CN(C(=O)C2CC[NH+](C3CC3)CC2)CC1C(=O)[O-]	REAL300006829909	0	47	0.0	-60.97	358.10	9.13	-51.84
CC1(C(F)F)CN(C(=O)C2CCC[N@@H+]2C2CC2)CC1C(=O)[O-]	REAL300006829938	0	44	0.0	-53.22	339.25	8.53	-44.69
CC1(C(F)F)CN(C(=O)C2CCC[N@H+]2C2CC2)CC1C(=O)[O-]	REAL300006829938	1	44	0.0	-47.08	328.89	8.19	-38.89
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)CN12	REAL300006829944	1	45	0.0	-56.12	350.10	8.75	-47.37
CC1(C(F)F)CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1C(=O)[O-]	REAL300006829945	0	53	0.0	-50.47	402.57	10.92	-39.55
C[N@@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830027	0	43	0.0	-47.93	321.80	7.55	-40.38
C[N@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830027	1	43	0.0	-53.31	322.58	7.59	-45.72
CC(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)N1CC[NH+](C)CC1	REAL300006830028	1	48	0.0	-60.14	353.15	5.87	-54.27
C[N@@H+]1CCCC[C@H]1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830072	0	43	0.0	-47.54	325.35	7.70	-39.84
C[N@H+]1CCCC[C@H]1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830072	1	43	0.0	-51.20	314.25	7.23	-43.97
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300006830119	0	56	0.0	-71.38	438.40	10.88	-60.50
CC1(C(F)F)CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CC1C(=O)[O-]	REAL300006830131	0	56	0.0	-64.07	403.70	11.09	-52.98
C[NH+]1CCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006830165	0	43	0.0	-66.54	325.67	7.53	-59.01
CC1(C(F)F)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1C(=O)[O-]	REAL300006830191	0	38	0.0	-68.38	304.37	9.06	-59.32
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CCCCC1	REAL300006830225	0	52	0.0	-59.73	357.61	8.81	-50.92
C[N@H+](CCC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CCCCC1	REAL300006830230	0	52	0.0	-54.75	382.74	9.74	-45.01
C[N@@H+](CCC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CCCCC1	REAL300006830230	1	52	0.0	-55.97	382.74	9.73	-46.24
CC1(C(F)F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1C(=O)[O-]	REAL300006830248	1	53	0.0	-51.71	399.57	11.00	-40.71
CC1(C(F)F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1C(=O)[O-]	REAL300006830248	1	53	0.0	-48.08	394.21	10.80	-37.28
CC1(C(F)F)CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1C(=O)[O-]	REAL300006830249	1	50	0.0	-56.55	383.01	10.15	-46.40
CC1(C(F)F)CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1C(=O)[O-]	REAL300006830249	1	50	0.0	-59.44	389.43	10.63	-48.81
C[NH+]1CCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006830301	0	43	0.0	-66.54	325.67	7.53	-59.01
CC1(C(F)F)CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1C(=O)[O-]	REAL300006830306	0	46	0.0	-68.02	369.59	8.33	-59.69
CC1(C(F)F)CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1C(=O)[O-]	REAL300006830330	0	53	0.0	-48.99	374.70	9.73	-39.26
CC1(C(F)F)CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1C(=O)[O-]	REAL300006830330	1	53	0.0	-49.84	371.86	9.82	-40.02
CC1(C(F)F)CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1C(=O)[O-]	REAL300006830331	0	54	0.0	-59.14	384.99	7.95	-51.19
CC1=[NH+]C=CN1CCCC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830364	1	44	0.0	-58.51	355.31	9.03	-49.48
CC1(C(F)F)CN(C(=O)CCCC[NH+]2CCOCC2)CC1C(=O)[O-]	REAL300006830365	1	50	0.0	-64.36	382.60	7.71	-56.65
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1)C(C)C	REAL300006830368	0	55	0.0	-65.98	404.34	10.73	-55.25
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1)C(C)C	REAL300006830368	1	55	0.0	-65.65	397.06	10.41	-55.24
CC1(C(F)F)CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300006830416	0	50	0.0	-63.96	385.61	10.51	-53.45
CC1(C(F)F)CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300006830416	1	50	0.0	-60.38	383.09	10.40	-49.98
CC1(C(F)F)CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1C(=O)[O-]	REAL300006830417	0	51	0.0	-79.17	387.14	9.92	-69.25
C[NH+]1CCN(C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C2=CC=CC=C2)CC1	REAL300006830445	1	55	0.0	-58.07	408.77	8.47	-49.60
CC1(C(F)F)CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1C(=O)[O-]	REAL300006830446	0	54	0.0	-56.13	378.95	7.95	-48.18
CCC(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[NH+](CC)CC	REAL300006830450	0	48	0.0	-48.89	344.96	8.01	-40.88
CC(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[N@H+](C)CC1=CC=CC=C1	REAL300006830452	0	49	0.0	-55.04	373.93	9.93	-45.11
CC(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006830452	1	49	0.0	-62.34	371.55	9.93	-52.41
CC1(C(F)F)CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300006830464	0	56	0.0	-56.51	415.62	12.03	-44.48
CC1(C(F)F)CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300006830464	1	56	0.0	-59.81	418.19	11.99	-47.82
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300006830487	0	45	0.0	-76.01	349.67	7.70	-68.31
CCC[NH+](CCC)CCCC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830496	0	54	0.0	-59.12	402.47	10.02	-49.10
CC1(C(F)F)CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC1C(=O)[O-]	REAL300006830497	1	54	0.0	-43.30	411.44	7.99	-35.31
CC[N@H+](C)C(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1=CC=CC=C1	REAL300006830498	0	49	0.0	-52.38	371.41	10.00	-42.38
CC[N@@H+](C)C(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1=CC=CC=C1	REAL300006830498	1	49	0.0	-52.87	371.88	10.06	-42.81
C[N@@H+]1CCOC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006830500	1	41	0.0	-64.39	314.31	6.35	-58.04
C[N@H+]1CCOC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006830500	1	41	0.0	-65.04	317.69	6.39	-58.65
CC[NH+](CC)C(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1=CC=CC=C1	REAL300006830503	0	52	0.0	-51.12	377.84	10.56	-40.56
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830512	1	44	0.0	-59.23	343.87	8.74	-50.49
C[NH+](C)C(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1=CC=C(Cl)C=C1	REAL300006830517	1	46	0.0	-47.79	370.85	9.90	-37.89
CC1(C(F)F)CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1C(=O)[O-]	REAL300006830530	0	50	0.0	-67.66	383.06	10.35	-57.31
CC1(C(F)F)CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1C(=O)[O-]	REAL300006830538	0	53	0.0	-62.12	401.85	11.06	-51.06
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006830545	0	43	0.0	-58.66	329.66	7.67	-50.99
C[NH+](C)CCCCC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830555	0	45	0.0	-63.66	349.69	8.28	-55.38
CC(C)C(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[NH+](C)C	REAL300006830564	0	45	0.0	-47.45	328.66	7.71	-39.74
CC1(C(F)F)CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1C(=O)[O-]	REAL300006830566	1	54	0.0	-74.14	412.58	10.56	-63.58
CC1(C(F)F)CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1C(=O)[O-]	REAL300006830566	1	54	0.0	-69.50	411.60	10.70	-58.80
CC1(C(F)F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300006830578	0	53	0.0	-47.35	393.25	10.92	-36.43
CC1(C(F)F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300006830578	1	53	0.0	-52.08	394.90	11.03	-41.05
CC1=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=NN1C1=CC=[NH+]C=C1	REAL300006830580	1	44	0.0	-70.88	361.52	7.72	-63.16
CC1(C(F)F)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1C(=O)[O-]	REAL300006830588	0	53	0.0	-67.97	399.82	11.06	-56.91
CC1(C(F)F)CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1C(=O)[O-]	REAL300006830602	1	46	0.0	-70.20	363.45	8.49	-61.71
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300006830603	0	49	0.0	-70.50	380.25	10.03	-60.47
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830615	1	42	0.0	-45.56	333.21	6.75	-38.81
CC1(C(F)F)CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1C(=O)[O-]	REAL300006830617	1	51	0.0	-63.72	387.42	9.78	-53.94
CC1(C(F)F)CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1C(=O)[O-]	REAL300006830617	1	51	0.0	-35.04	381.85	9.66	-25.38
C[N@H+](CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CCC1	REAL300006830648	0	43	0.0	-54.80	326.95	8.01	-46.79
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CCC1	REAL300006830648	1	43	0.0	-46.34	327.59	8.11	-38.23
CC(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[NH+]1CCSCC1	REAL300006830674	1	44	0.0	-53.00	338.85	7.92	-45.08
C[N@H+](CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)CC(C)(C)C	REAL300006830680	0	48	0.0	-48.09	349.77	8.55	-39.54
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)CC(C)(C)C	REAL300006830680	1	48	0.0	-55.98	349.71	8.48	-47.50
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830682	0	49	0.0	-60.81	379.94	10.46	-50.35
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830682	1	49	0.0	-60.89	379.94	10.47	-50.42
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830683	0	53	0.0	-57.81	413.00	6.78	-51.03
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830683	1	53	0.0	-59.43	412.51	6.75	-52.68
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006830688	0	47	0.0	-61.58	351.44	6.66	-54.92
C[N@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006830688	1	47	0.0	-66.78	336.01	6.29	-60.49
CC1(C(F)F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1C(=O)[O-]	REAL300006830709	1	52	0.0	-45.31	394.18	9.42	-35.89
CC1(C(F)F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1C(=O)[O-]	REAL300006830709	1	52	0.0	-56.98	385.53	9.24	-47.74
CC1(C(F)F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1C(=O)[O-]	REAL300006830710	1	52	0.0	-48.83	384.96	8.92	-39.91
CC1(C(F)F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1C(=O)[O-]	REAL300006830710	1	52	0.0	-56.99	388.57	9.20	-47.79
CCCCCC[N@H+](C)CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830712	0	51	0.0	-58.10	384.53	9.79	-48.31
CCCCCC[N@@H+](C)CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830712	1	51	0.0	-49.27	385.20	9.89	-39.38
CC1(C(F)F)CN(C(=O)C23CCC[NH+]2CCC3)CC1C(=O)[O-]	REAL300006830722	0	44	0.0	-71.71	309.39	7.48	-64.23
CC1(C(F)F)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1C(=O)[O-]	REAL300006830730	1	38	0.0	-69.87	304.44	9.08	-60.79
C[N@H+](CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CCSC1	REAL300006830746	0	44	0.0	-60.18	344.36	8.37	-51.81
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CCSC1	REAL300006830746	1	44	0.0	-55.55	344.14	8.38	-47.17
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006830763	0	54	0.0	-66.15	393.58	7.21	-58.94
CC(C)N1CC[NH+](CCC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006830763	1	54	0.0	-55.03	396.18	7.11	-47.92
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006830764	0	57	0.0	-62.01	421.17	8.11	-53.90
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006830764	1	57	0.0	-62.00	418.54	7.97	-54.03
CC1(C(F)F)CN(C(=O)C2CCCC3CCC[N@@H+]32)CC1C(=O)[O-]	REAL300006830765	0	47	0.0	-46.17	342.80	8.62	-37.55
CC1(C(F)F)CN(C(=O)C2CCCC3CCC[N@H+]32)CC1C(=O)[O-]	REAL300006830765	1	47	0.0	-44.50	342.27	8.73	-35.77
C[NH+](C)CCN1C=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300006830767	0	46	0.0	-70.78	359.96	7.15	-63.63
CC1(C(F)F)CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1C(=O)[O-]	REAL300006830776	0	55	0.0	-59.19	417.12	9.48	-49.71
CC1(C(F)F)CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1C(=O)[O-]	REAL300006830779	0	52	0.0	-67.37	386.64	9.31	-58.06
CC1(C(F)F)CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1C(=O)[O-]	REAL300006830779	1	52	0.0	-66.84	388.56	9.33	-57.51
CC(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006830784	1	50	0.0	-56.13	379.65	10.40	-45.73
CC(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006830784	1	50	0.0	-46.84	378.84	10.43	-36.41
CCC(CC)C(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[NH+]1CCOCC1	REAL300006830801	1	56	0.0	-44.39	386.77	8.22	-36.17
CCCC(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[NH+](C)C	REAL300006830805	0	45	0.0	-54.21	331.73	7.75	-46.46
CC1(C(F)F)CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300006830807	0	53	0.0	-64.81	403.72	11.21	-53.60
CC1(C(F)F)CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300006830807	1	53	0.0	-57.22	407.34	11.30	-45.92
C[NH+](C)CCN1C=CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=N1	REAL300006830822	0	46	0.0	-74.81	363.05	7.92	-66.89
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830823	0	46	0.0	-63.04	357.51	7.24	-55.80
C[C@@H]1[C@H](C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC[N@@H+]1C	REAL300006830829	0	43	0.0	-57.37	313.59	6.98	-50.39
C[C@@H]1[C@H](C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC[N@H+]1C	REAL300006830829	1	43	0.0	-57.61	323.21	7.25	-50.36
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830831	1	47	0.0	-53.04	370.29	9.35	-43.69
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC[N@@H+]1C	REAL300006830834	0	46	0.0	-56.35	337.68	7.64	-48.71
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC[N@H+]1C	REAL300006830834	1	46	0.0	-59.26	340.30	8.10	-51.16
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=NN1	REAL300006830837	1	47	0.0	-72.41	366.57	7.48	-64.93
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=NN1	REAL300006830837	1	47	0.0	-66.59	357.62	6.79	-59.80
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830838	0	42	0.0	-51.70	327.40	7.81	-43.89
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830838	1	42	0.0	-59.82	327.78	8.10	-51.72
CC1C[N@H+](C)CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)O1	REAL300006830846	1	44	0.0	-66.97	325.80	6.59	-60.38
CC1C[N@@H+](C)CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)O1	REAL300006830846	1	44	0.0	-65.27	338.97	7.13	-58.14
CC1(C(F)F)CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1C(=O)[O-]	REAL300006830852	0	53	0.0	-64.59	407.15	11.15	-53.44
CC1(C(F)F)CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1C(=O)[O-]	REAL300006830852	1	53	0.0	-72.24	404.81	11.06	-61.18
CC1(C(F)F)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1C(=O)[O-]	REAL300006830853	1	49	0.0	-45.04	377.21	8.59	-36.45
CC1(C(F)F)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1C(=O)[O-]	REAL300006830853	1	49	0.0	-55.09	380.44	8.72	-46.37
CC1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830857	1	38	0.0	-60.92	306.62	7.59	-53.33
CC(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830859	0	47	0.0	-56.48	351.93	6.56	-49.92
CC1(C(F)F)CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1C(=O)[O-]	REAL300006830860	0	54	0.0	-59.22	414.34	8.85	-50.37
CC1CC[NH+](CC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006830872	0	46	0.0	-49.88	346.93	8.58	-41.30
CC[N@@H+]1CCOC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006830886	1	44	0.0	-85.97	329.69	6.92	-79.05
CC[N@H+]1CCOC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006830886	1	44	0.0	-62.18	334.87	7.05	-55.13
CC1(C(F)F)CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1C(=O)[O-]	REAL300006830926	0	53	0.0	-57.90	385.09	9.96	-47.94
CC1(C(F)F)CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1C(=O)[O-]	REAL300006830926	1	53	0.0	-51.51	386.76	9.90	-41.61
C[N@@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830933	0	46	0.0	-58.98	346.17	8.14	-50.84
C[N@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830933	1	46	0.0	-60.79	342.46	8.11	-52.68
CC1(C(F)F)CN(C(=O)C23CCC[NH+](CCC2)C3)CC1C(=O)[O-]	REAL300006830945	0	47	0.0	-69.60	326.65	7.68	-61.92
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830948	0	44	0.0	-57.61	320.28	3.10	-54.51
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830948	1	44	0.0	-40.37	319.48	3.92	-36.45
CC1(C(F)F)CN(C(=O)C2CCC3CCCC[N@@H+]32)CC1C(=O)[O-]	REAL300006830949	0	47	0.0	-45.89	345.78	8.92	-36.97
CC1(C(F)F)CN(C(=O)C2CCC3CCCC[N@H+]32)CC1C(=O)[O-]	REAL300006830949	1	47	0.0	-58.50	337.48	8.43	-50.07
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006830956	0	50	0.0	-54.33	351.88	6.58	-47.75
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300006830961	0	53	0.0	-57.71	393.16	8.58	-49.13
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300006830961	1	53	0.0	-57.26	396.31	8.55	-48.71
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=C2)CC1	REAL300006830965	0	55	0.0	-67.72	419.39	8.66	-59.06
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=C2)CC1	REAL300006830966	0	55	0.0	-74.16	416.48	8.69	-65.47
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=C2)CC1	REAL300006830966	1	55	0.0	-69.06	415.84	8.50	-60.56
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300006830968	0	56	0.0	-74.16	419.17	10.05	-64.11
CC(C)[NH+]1CCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006830976	0	49	0.0	-61.62	354.99	8.46	-53.16
CC1(C(F)F)CN(C(=O)C23CC[NH+](CC2)C3)CC1C(=O)[O-]	REAL300006831057	0	41	0.0	-64.00	307.82	6.34	-57.66
CC1(C(F)F)CN(C(=O)C23CC[N@H+](C2)CCC3)CC1C(=O)[O-]	REAL300006831067	0	44	0.0	-64.56	317.17	6.94	-57.62
CC1(C(F)F)CN(C(=O)C23CC[N@@H+](C2)CCC3)CC1C(=O)[O-]	REAL300006831067	1	44	0.0	-62.03	316.03	7.02	-55.01
CC1CCC(C)[NH+]1CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831121	0	46	0.0	-50.75	342.82	8.16	-42.59
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300006831122	0	46	0.0	-74.95	360.81	9.24	-65.71
CC1(C(F)F)CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300006831123	0	53	0.0	-56.87	401.48	11.04	-45.83
CC1(C(F)F)CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300006831123	1	53	0.0	-58.06	391.65	11.11	-46.95
C[NH+](C)C1(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CCC1	REAL300006831162	0	43	0.0	-57.01	312.68	7.13	-49.88
C#CC[NH+]1CCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006831196	0	45	0.0	-62.86	349.59	8.66	-54.20
CCC[N@@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831198	0	49	0.0	-51.04	362.05	9.07	-41.97
CCC[N@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831198	1	49	0.0	-54.55	349.30	8.50	-46.05
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831199	0	46	0.0	-57.15	353.06	9.14	-48.01
CC[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006831201	0	51	0.0	-67.89	376.83	6.70	-61.19
CCN1CC[NH+](CCC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006831201	1	51	0.0	-55.55	382.93	6.80	-48.75
CC(C)C(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[NH+]1CCCCC1	REAL300006831203	0	52	0.0	-58.41	362.52	9.63	-48.78
C[NH+](C)C(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1=CC=CC=C1	REAL300006831204	1	46	0.0	-46.17	354.13	9.36	-36.81
CC1(C(F)F)CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300006831208	0	51	0.0	-59.47	392.92	7.96	-51.51
CC1(C(F)F)CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300006831208	1	51	0.0	-77.70	387.23	7.48	-70.22
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831214	1	47	0.0	-54.09	370.32	9.32	-44.77
C[NH+](C)CC1=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)OC2=CC=CC=C21	REAL300006831215	0	49	0.0	-61.55	382.58	9.92	-51.63
CC1(C(F)F)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1C(=O)[O-]	REAL300006831220	0	50	0.0	-47.18	362.02	9.42	-37.76
CC1(C(F)F)CN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1C(=O)[O-]	REAL300006831220	1	50	0.0	-50.69	368.62	9.50	-41.19
CC[N@H+](CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CC1	REAL300006831222	0	43	0.0	-50.92	333.46	8.16	-42.76
CC[N@@H+](CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CC1	REAL300006831222	1	43	0.0	-49.49	330.73	8.09	-41.40
CC1(C(F)F)CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC1C(=O)[O-]	REAL300006831251	1	51	0.0	-47.84	393.63	10.80	-37.04
CC(C)C(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[NH+]1CC(C)OC(C)C1	REAL300006831252	1	56	0.0	-45.22	405.52	8.60	-36.62
CC(C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[NH+]1CCCCCC1	REAL300006831253	0	49	0.0	-60.22	348.39	8.47	-51.75
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=CC=C1N2	REAL300006831295	1	51	0.0	-77.63	393.25	9.57	-68.06
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=CC=C1N2	REAL300006831295	1	51	0.0	-64.22	390.56	9.51	-54.71
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)O1	REAL300006831346	0	49	0.0	-54.49	381.16	9.37	-45.12
CC1(C(F)F)CN(C(=O)CCCC[NH+]2CCCC2)CC1C(=O)[O-]	REAL300006831347	0	49	0.0	-63.77	376.20	9.47	-54.30
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)CC2)[NH+]=C1	REAL300006831349	1	52	0.0	-63.92	389.66	8.93	-54.99
C[N@H+](CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)CC1=CC=CC=C1	REAL300006831350	1	46	0.0	-56.02	356.04	9.68	-46.34
C[N@@H+](CC(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)CC1=CC=CC=C1	REAL300006831350	1	46	0.0	-65.36	354.89	9.59	-55.77
CC(C)[C@@H](C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)[NH+](C)C	REAL300006831361	0	45	0.0	-57.45	326.26	7.71	-49.74
CC1(C(F)F)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1C(=O)[O-]	REAL300006831378	1	41	0.0	-76.77	332.78	7.08	-69.69
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=NO1	REAL300006831408	1	42	0.0	-72.41	339.12	7.30	-65.11
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831412	0	53	0.0	-58.87	404.48	10.95	-47.92
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831412	1	53	0.0	-55.20	403.57	11.04	-44.16
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831428	0	46	0.0	-54.04	325.27	8.15	-45.89
CC(C)[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831428	1	46	0.0	-58.07	336.22	7.97	-50.10
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300006831436	0	54	0.0	-73.87	425.51	10.60	-63.27
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006831455	0	47	0.0	-68.18	364.29	8.26	-59.92
CC1(C(F)F)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1C(=O)[O-]	REAL300006831460	0	50	0.0	-69.35	381.37	9.73	-59.62
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006831659	0	49	0.0	-59.38	365.60	8.99	-50.39
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006831659	1	49	0.0	-56.69	357.69	9.09	-47.60
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831691	0	49	0.0	-54.52	363.71	9.11	-45.41
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006831691	1	49	0.0	-58.52	359.41	8.93	-49.59
CC1(C(F)F)CN(C(=O)C[NH+]2CCC(CO)CC2)CC1C(=O)[O-]	REAL300006831692	0	47	0.0	-51.73	358.44	5.30	-46.43
CC1(C(F)F)CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1C(=O)[O-]	REAL300006831799	0	54	0.0	-55.23	402.98	11.22	-44.01
CC1(C(F)F)CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1C(=O)[O-]	REAL300006831799	1	54	0.0	-57.41	407.30	11.24	-46.17
CC1(C(F)F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1C(=O)[O-]	REAL300006831844	1	53	0.0	-50.57	397.06	10.87	-39.70
CC1(C(F)F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1C(=O)[O-]	REAL300006831844	1	53	0.0	-53.94	399.54	11.01	-42.93
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006831935	0	49	0.0	-70.31	347.38	8.73	-61.58
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006831935	1	49	0.0	-53.67	353.12	8.80	-44.87
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C(F)(F)F)C1	REAL300006831936	0	43	0.0	-70.58	320.45	7.06	-63.52
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C(F)(F)F)C1	REAL300006831936	1	43	0.0	-64.47	329.97	8.25	-56.22
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)N1	REAL300006831961	1	44	0.0	-51.94	355.50	7.47	-44.47
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300006832472	0	49	0.0	-77.53	383.31	10.07	-67.46
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300006832480	0	50	0.0	-75.95	387.81	8.97	-66.98
CC1(C(F)F)CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1C(=O)[O-]	REAL300006832578	0	56	0.0	-64.60	424.04	12.08	-52.52
CC1CN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=C2)CCO1	REAL300006832580	0	54	0.0	-70.43	411.81	9.39	-61.04
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=C2)CCO1	REAL300006832580	1	54	0.0	-66.91	411.14	9.44	-57.47
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=C2)CCO1	REAL300006832580	1	54	0.0	-66.91	411.14	9.44	-57.47
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006832625	0	43	0.0	-57.33	331.28	7.85	-49.48
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300006832629	0	49	0.0	-71.71	349.93	8.59	-63.12
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=CN12	REAL300006832633	0	41	0.0	-63.43	326.58	8.88	-54.55
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006832698	0	52	0.0	-61.05	380.87	9.54	-51.51
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006832698	1	52	0.0	-63.49	378.16	9.62	-53.87
CC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006832699	0	46	0.0	-54.26	332.76	8.20	-46.06
CC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006832699	1	46	0.0	-56.97	335.80	8.29	-48.68
C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006832703	0	43	0.0	-57.56	324.98	7.45	-50.11
C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006832703	1	43	0.0	-59.23	314.03	7.63	-51.60
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)O1	REAL300006832705	1	43	0.0	-57.17	345.51	7.96	-49.21
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006832711	0	52	0.0	-83.19	360.55	8.64	-74.55
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300006832711	1	52	0.0	-46.77	358.41	8.35	-38.42
CC1(C(F)F)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1C(=O)[O-]	REAL300006832714	1	45	0.0	-56.68	330.72	8.63	-48.05
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)CC1=CC=C(F)C=C1F	REAL300006832785	0	52	0.0	-50.00	398.84	11.72	-38.28
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)CC1=CC=C(F)C=C1F	REAL300006832785	1	52	0.0	-42.17	381.26	11.57	-30.60
O=C([O-])C1CCCN(CC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(F)(F)F)C1	REAL300006832884	0	56	0.0	-49.39	409.63	11.47	-37.92
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(F)(F)F)C1	REAL300006832884	1	56	0.0	-49.47	404.44	11.52	-37.95
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(F)(F)F)C1	REAL300006832884	1	56	0.0	-49.39	409.63	11.47	-37.92
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=NO3)CC2)C1	REAL300006832982	0	46	0.0	-48.69	342.75	8.20	-40.49
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=NO3)CC2)C1	REAL300006832982	1	46	0.0	-51.75	350.29	8.67	-43.08
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006833091	1	53	0.0	-51.47	409.96	9.49	-41.98
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006833091	1	53	0.0	-54.43	409.09	9.95	-44.48
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1(CC(=O)[O-])CC1	REAL300006834128	0	50	0.0	-65.70	372.50	10.91	-54.79
CC1=NC(C[NH+]2CCC(C(=O)N(C)C3(CC(=O)[O-])CC3)CC2)=CS1	REAL300006835358	1	49	0.0	-69.14	381.37	8.65	-60.49
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1(CC(=O)[O-])CC1	REAL300006835403	0	53	0.0	-72.68	412.69	10.43	-62.25
CN(C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1)C1(CC(=O)[O-])CC1	REAL300006835408	0	53	0.0	-70.06	400.66	11.97	-58.09
CN(C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1)C1(CC(=O)[O-])CC1	REAL300006835408	1	53	0.0	-70.77	400.70	11.97	-58.80
CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1(CC(=O)[O-])CC1	REAL300006835519	0	43	0.0	-76.27	334.91	7.61	-68.66
CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1(CC(=O)[O-])CC1	REAL300006835537	0	51	0.0	-65.29	351.82	7.74	-57.55
CC[N@H+](CC1=CC=C(C(=O)N(C)C2(CC(=O)[O-])CC2)C=C1)C(C)C	REAL300006835555	0	52	0.0	-68.41	370.10	9.92	-58.49
CC[N@@H+](CC1=CC=C(C(=O)N(C)C2(CC(=O)[O-])CC2)C=C1)C(C)C	REAL300006835555	1	52	0.0	-69.02	365.68	9.73	-59.29
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835570	0	47	0.0	-64.55	356.87	11.00	-53.55
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835570	1	47	0.0	-66.61	362.85	10.05	-56.56
CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C1(CC(=O)[O-])CC1	REAL300006835571	0	48	0.0	-70.95	342.40	9.40	-61.55
CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1(CC(=O)[O-])CC1	REAL300006835592	0	51	0.0	-59.91	354.93	7.83	-52.08
CC(C(=O)N(C)C1(CC(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300006835595	0	46	0.0	-55.84	352.52	9.94	-45.90
CC(C(=O)N(C)C1(CC(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300006835595	1	46	0.0	-55.98	349.48	9.95	-46.03
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835601	0	53	0.0	-65.05	396.48	11.71	-53.34
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835601	1	53	0.0	-59.06	389.08	12.48	-46.58
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1(CC(=O)[O-])CC1	REAL300006835636	0	47	0.0	-77.59	357.49	10.61	-66.98
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1(CC(=O)[O-])CC1	REAL300006835640	0	50	0.0	-64.40	365.57	10.22	-54.18
CCC(C(=O)N(C)C1(CC(=O)[O-])CC1)[N@@H+]1CCOC(CC)C1	REAL300006835643	1	50	0.0	-52.63	353.43	7.84	-44.79
CCC(C(=O)N(C)C1(CC(=O)[O-])CC1)[N@H+]1CCOC(CC)C1	REAL300006835643	1	50	0.0	-41.91	340.26	7.69	-34.22
CCN1CCC([NH+]2CCC(C(=O)N(C)C3(CC(=O)[O-])CC3)CC2)CC1	REAL300006835646	0	58	0.0	-62.35	405.10	8.50	-53.85
CC1C[NH+](CC2=CC=C(C(=O)N(C)C3(CC(=O)[O-])CC3)C=C2)CC(C)O1	REAL300006835652	1	54	0.0	-79.93	407.57	10.34	-69.59
CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1(CC(=O)[O-])CC1	REAL300006835662	1	51	0.0	-68.59	384.92	10.83	-57.76
CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1(CC(=O)[O-])CC1	REAL300006835662	1	51	0.0	-67.91	381.35	9.94	-57.97
CC1=C(C(=O)N(C)C2(CC(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300006835676	1	41	0.0	-76.84	324.83	8.07	-68.77
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1(CC(=O)[O-])CC1	REAL300006835679	0	50	0.0	-72.85	365.26	10.18	-62.67
CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1(CC(=O)[O-])CC1	REAL300006835689	1	43	0.0	-71.77	339.45	8.62	-63.15
CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1(CC(=O)[O-])CC1	REAL300006835690	0	46	0.0	-81.61	355.17	10.31	-71.30
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1(CC(=O)[O-])CC1	REAL300006835693	1	48	0.0	-69.02	359.78	9.41	-59.61
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1(CC(=O)[O-])CC1	REAL300006835693	1	48	0.0	-48.62	359.19	9.43	-39.19
CC(C(=O)N(C)C1(CC(=O)[O-])CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006835701	0	56	0.0	-58.34	414.23	12.19	-46.15
CN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C1(CC(=O)[O-])CC1	REAL300006835727	0	46	0.0	-58.50	356.49	10.36	-48.14
CN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1(CC(=O)[O-])CC1	REAL300006835727	1	46	0.0	-58.66	356.48	10.36	-48.30
COCCOCC[N@H+](C)CCC(=O)N(C)C1(CC(=O)[O-])CC1	REAL300006835728	0	50	0.0	-61.02	384.32	6.55	-54.47
COCCOCC[N@@H+](C)CCC(=O)N(C)C1(CC(=O)[O-])CC1	REAL300006835728	1	50	0.0	-59.84	384.24	6.58	-53.26
CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1(CC(=O)[O-])CC1	REAL300006835734	0	55	0.0	-66.82	410.35	10.10	-56.72
CC(C)[NH+]1CCN(CCC(=O)N(C)C2(CC(=O)[O-])CC2)CC1	REAL300006835758	0	51	0.0	-66.51	372.70	7.15	-59.36
CC(C)N1CC[NH+](CCC(=O)N(C)C2(CC(=O)[O-])CC2)CC1	REAL300006835758	1	51	0.0	-58.20	369.71	7.25	-50.95
CC(C)[NH+]1CCN(CCCC(=O)N(C)C2(CC(=O)[O-])CC2)CC1	REAL300006835759	0	54	0.0	-64.44	394.21	7.95	-56.49
CC(C)N1CC[NH+](CCCC(=O)N(C)C2(CC(=O)[O-])CC2)CC1	REAL300006835759	1	54	0.0	-62.60	389.23	7.73	-54.87
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C3(CC(=O)[O-])CC3)CC2)=C1	REAL300006835763	0	55	0.0	-61.84	411.74	10.24	-51.60
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1(CC(=O)[O-])CC1	REAL300006835764	0	52	0.0	-61.90	390.33	9.58	-52.32
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835767	0	49	0.0	-66.16	363.89	8.97	-57.19
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835767	1	49	0.0	-66.30	368.05	9.78	-56.52
CC(C(=O)N(C)C1(CC(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006835771	0	47	0.0	-58.05	351.26	10.61	-47.44
CC(C(=O)N(C)C1(CC(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006835771	1	47	0.0	-56.83	353.61	10.19	-46.64
CC(C(=O)N(C)C1(CC(=O)[O-])CC1)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300006835773	1	52	0.0	-61.10	385.43	8.75	-52.35
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835787	0	50	0.0	-66.16	378.96	11.13	-55.03
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835787	1	50	0.0	-65.23	382.76	11.60	-53.63
CN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C1(CC(=O)[O-])CC1	REAL300006835797	1	44	0.0	-76.77	339.83	7.22	-69.55
CN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C1(CC(=O)[O-])CC1	REAL300006835797	1	44	0.0	-76.90	339.95	7.01	-69.89
CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835804	0	50	0.0	-63.25	374.20	11.11	-52.14
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835804	1	50	0.0	-66.57	379.60	11.70	-54.87
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1(CC(=O)[O-])CC1	REAL300006835806	0	51	0.0	-60.75	388.09	8.99	-51.76
CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1(CC(=O)[O-])CC1	REAL300006835827	0	50	0.0	-62.15	357.80	10.38	-51.77
CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C1(CC(=O)[O-])CC1	REAL300006835827	1	50	0.0	-60.17	358.43	9.72	-50.45
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C1(CC(=O)[O-])CC1	REAL300006835843	0	52	0.0	-63.65	382.69	7.80	-55.85
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1(CC(=O)[O-])CC1	REAL300006835844	0	52	0.0	-75.50	391.29	8.89	-66.61
CN(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C1(CC(=O)[O-])CC1	REAL300006835844	1	52	0.0	-73.44	382.09	7.69	-65.75
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300006835845	0	53	0.0	-78.23	397.90	10.65	-67.58
CN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1(CC(=O)[O-])CC1	REAL300006835895	0	54	0.0	-72.63	397.24	7.54	-65.09
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835897	0	50	0.0	-56.10	367.57	11.15	-44.95
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1(CC(=O)[O-])CC1	REAL300006835897	1	50	0.0	-62.38	368.44	10.87	-51.51
CN(C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C1(CC(=O)[O-])CC1	REAL300006835975	1	48	0.0	-73.54	358.39	9.10	-64.44
CN(C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C1(CC(=O)[O-])CC1	REAL300006835975	1	48	0.0	-75.45	367.46	9.62	-65.83
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C2(CC(=O)[O-])CC2)O1	REAL300006836013	0	46	0.0	-67.48	354.88	9.04	-58.44
CC1=CC=C(N2CCC(C(=O)N(C)C3(CC(=O)[O-])CC3)CC2)[NH+]=C1	REAL300006836015	1	49	0.0	-65.73	361.23	8.72	-57.01
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C3(CC(=O)[O-])CC3)C=C2)CC1	REAL300006836018	0	55	0.0	-70.85	391.28	9.04	-61.81
CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1(CC(=O)[O-])CC1	REAL300006836025	1	38	0.0	-74.00	313.25	6.73	-67.27
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C1(CC(=O)[O-])CC1	REAL300006836049	0	50	0.0	-57.26	372.86	11.32	-45.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C1(CC(=O)[O-])CC1	REAL300006836049	1	50	0.0	-58.74	379.16	11.17	-47.57
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1(CC(=O)[O-])CC1	REAL300006836064	0	51	0.0	-77.26	399.23	10.42	-66.84
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1(CC(=O)[O-])CC1	REAL300006836076	0	47	0.0	-67.60	360.02	9.48	-58.12
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CC1CCC(C)[NH+]1CC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300006840089	0	43	0.0	-56.55	342.79	7.83	-48.72
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300006840090	0	43	0.0	-74.58	363.83	9.31	-65.27
O=C([O-])C(CC1=CSC=C1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006840091	0	50	0.0	-60.62	400.61	11.19	-49.43
O=C([O-])C(CC1=CSC=C1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006840091	1	50	0.0	-58.74	398.35	11.20	-47.54
C#CC[NH+]1CCC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300006840142	0	42	0.0	-76.69	354.10	8.65	-68.04
CC[NH+]1CCN(CCC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300006840144	0	48	0.0	-73.54	382.29	6.35	-67.19
CCN1CC[NH+](CCC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300006840144	1	48	0.0	-65.64	384.28	6.46	-59.18
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300006840151	1	44	0.0	-60.95	371.08	8.95	-52.00
CC(C(=O)NC(CC1=CSC=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300006840182	0	46	0.0	-54.41	355.50	8.29	-46.12
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3=CSC=C3)C(=O)[O-])=CC=C1N2	REAL300006840216	1	48	0.0	-81.70	398.46	9.80	-71.90
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3=CSC=C3)C(=O)[O-])=CC=C1N2	REAL300006840216	1	48	0.0	-81.48	398.84	9.74	-71.74
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2=CSC=C2)C(=O)[O-])O1	REAL300006840258	0	46	0.0	-74.41	381.26	8.81	-65.60
O=C([O-])C(CC1=CSC=C1)NC(=O)CCCC[NH+]1CCCC1	REAL300006840259	0	46	0.0	-71.43	376.99	9.13	-62.30
CC1=CC=C(N2CCC(C(=O)NC(CC3=CSC=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300006840261	1	49	0.0	-71.47	399.70	8.88	-62.59
C[N@H+](CC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300006840262	1	43	0.0	-62.32	362.33	9.40	-52.92
C[N@@H+](CC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300006840262	1	43	0.0	-62.50	362.33	9.41	-53.09
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006840281	1	38	0.0	-77.30	344.72	7.31	-69.99
C[NH+](C)CC1=CC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])=NO1	REAL300006840304	1	39	0.0	-77.01	343.53	6.87	-70.14
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300006840308	0	50	0.0	-74.58	410.16	10.88	-63.70
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300006840308	1	50	0.0	-66.59	402.96	10.71	-55.88
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300006840324	0	43	0.0	-56.72	344.31	7.99	-48.73
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300006840324	1	43	0.0	-55.20	346.60	8.08	-47.12
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300006840331	0	51	0.0	-82.36	428.16	10.27	-72.09
C[NH+]1CCC(OCC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300006840345	0	44	0.0	-77.36	365.62	7.90	-69.46
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006840350	0	47	0.0	-75.55	390.76	9.41	-66.14
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300006840499	0	46	0.0	-66.26	369.46	8.81	-57.45
CCC[N@H+]1CCCC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300006840499	1	46	0.0	-65.43	368.58	8.87	-56.56
O=C([O-])C(CC1=CSC=C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300006840527	1	44	0.0	-59.82	359.44	4.99	-54.83
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300006840710	0	46	0.0	-62.28	363.76	8.65	-53.63
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300006840710	1	46	0.0	-64.72	364.60	8.58	-56.14
C[N@@H+]1CC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006840711	0	40	0.0	-59.13	348.89	7.68	-51.45
C[N@H+]1CC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300006840711	1	40	0.0	-59.70	343.10	7.33	-52.37
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CSC=C2)C(=O)[O-])N1	REAL300006840733	1	41	0.0	-59.94	355.76	7.17	-52.77
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300006841125	0	46	0.0	-77.24	386.32	10.14	-67.10
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300006841133	0	47	0.0	-82.52	393.38	9.18	-73.34
O=C([O-])C(CC1=CSC=C1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006841227	0	53	0.0	-65.75	424.56	11.79	-53.96
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3=CSC=C3)C(=O)[O-])C=C2)CCO1	REAL300006841229	1	51	0.0	-83.43	410.37	9.51	-73.92
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3=CSC=C3)C(=O)[O-])C=C2)CCO1	REAL300006841229	1	51	0.0	-85.06	411.09	9.52	-75.54
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300006841260	0	46	0.0	-56.21	358.05	8.50	-47.71
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=CSC=C3)C(=O)[O-])=CN21	REAL300006841264	0	38	0.0	-66.24	337.25	9.09	-57.15
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300006841313	0	49	0.0	-63.37	386.61	9.59	-53.78
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300006841313	1	49	0.0	-59.33	377.87	9.71	-49.62
CC[N@@H+]1CCCC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300006841314	0	43	0.0	-63.26	347.65	8.16	-55.10
CC[N@H+]1CCCC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300006841314	1	43	0.0	-63.20	347.75	8.16	-55.04
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CSC=C2)C(=O)[O-])O1	REAL300006841320	1	40	0.0	-80.92	350.33	7.62	-73.30
O=C([O-])C(CC1=CSC=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006841328	0	42	0.0	-62.15	342.62	8.42	-53.73
O=C([O-])C(CC1=CSC=C1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006841328	1	42	0.0	-60.64	338.86	8.63	-52.01
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2C2=CC=C(O)C=C2)C1	REAL300006841400	0	51	0.0	-49.31	369.52	7.96	-41.35
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2C2=CC=C(O)C=C2)C1	REAL300006841400	1	51	0.0	-49.50	375.77	7.98	-41.52
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN(C3CCC(=O)NC3)N=C2)C1	REAL300006841518	1	48	0.0	-59.18	364.95	4.31	-54.87
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN(C3CCC(=O)NC3)N=C2)C1	REAL300006841518	1	48	0.0	-56.36	364.06	3.86	-52.50
CCOC1=NN(C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006841612	1	44	0.0	-49.45	340.66	3.50	-45.95
CCOC1=NN(C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006841612	1	44	0.0	-48.38	341.47	3.95	-44.43
O=C([O-])C1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841644	0	45	0.0	-72.60	326.29	9.07	-63.53
O=C([O-])C1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841644	1	45	0.0	-72.51	326.15	9.24	-63.27
O=C([O-])COC1=CC=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841645	0	49	0.0	-79.85	357.41	9.39	-70.46
O=C([O-])COC1=CC=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841645	1	49	0.0	-79.41	357.12	9.51	-69.90
O=C([O-])C1=CC=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841646	0	45	0.0	-81.27	326.95	9.26	-72.01
O=C([O-])C1=CC=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841646	1	45	0.0	-82.11	326.16	9.24	-72.87
O=C([O-])C1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)S1	REAL300006841647	0	42	0.0	-67.18	318.39	8.22	-58.96
O=C([O-])C1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)S1	REAL300006841647	1	42	0.0	-66.89	319.10	8.45	-58.44
O=C([O-])C1=CC=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=N1	REAL300006841648	0	44	0.0	-52.00	322.93	8.22	-43.78
O=C([O-])C1=CC=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=N1	REAL300006841648	1	44	0.0	-50.64	322.18	8.29	-42.35
CCOC1=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=CC=C1OCC(=O)[O-]	REAL300006841649	0	56	0.0	-78.05	408.97	10.22	-67.83
CCOC1=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=CC=C1OCC(=O)[O-]	REAL300006841649	1	56	0.0	-78.23	408.24	10.21	-68.02
O=C([O-])C1=CC=C(CCC(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841650	0	51	0.0	-77.62	373.53	11.02	-66.60
O=C([O-])C1=CC=C(CCC(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841650	1	51	0.0	-77.76	373.35	11.11	-66.65
O=C([O-])C1=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=CC=N1	REAL300006841651	0	44	0.0	-83.55	322.88	7.50	-76.05
O=C([O-])C1=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=CC=N1	REAL300006841651	1	44	0.0	-83.92	322.45	7.52	-76.40
O=C([O-])C1=CC=C(C=CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841652	0	49	0.0	-78.66	360.79	10.80	-67.86
O=C([O-])C1=CC=C(C=CC(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841652	1	49	0.0	-78.58	360.59	10.84	-67.74
O=C([O-])C1=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=CC([N+](=O)[O-])=C1	REAL300006841653	0	47	0.0	-73.57	354.54	9.73	-63.84
O=C([O-])C1=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=CC([N+](=O)[O-])=C1	REAL300006841653	1	47	0.0	-73.14	354.46	9.88	-63.26
O=C([O-])C1=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=CC([N+](=O)[O-])=C1	REAL300006841654	0	47	0.0	-73.57	354.54	9.73	-63.84
O=C([O-])C1=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=CC([N+](=O)[O-])=C1	REAL300006841654	1	47	0.0	-73.14	354.46	9.88	-63.26
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841655	0	55	0.0	-79.08	401.39	10.64	-68.44
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841655	1	55	0.0	-79.88	401.27	10.80	-69.08
O=C([O-])C1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)O1	REAL300006841656	0	42	0.0	-57.50	310.64	7.92	-49.58
O=C([O-])C1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)O1	REAL300006841656	1	42	0.0	-57.50	310.49	7.91	-49.59
O=C([O-])C1=CC=CC=C1CCC(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841657	0	51	0.0	-71.21	364.74	10.71	-60.50
O=C([O-])C1=CC=CC=C1CCC(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841657	1	51	0.0	-70.52	364.64	10.85	-59.67
CC1=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=CC(C)=C1OCC(=O)[O-]	REAL300006841658	0	55	0.0	-75.72	401.17	10.89	-64.83
CC1=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=CC(C)=C1OCC(=O)[O-]	REAL300006841658	1	55	0.0	-75.41	401.35	11.03	-64.38
O=C([O-])C1=CC=CC(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841659	0	48	0.0	-82.95	352.20	10.16	-72.79
O=C([O-])C1=CC=CC(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841659	1	48	0.0	-86.69	351.85	10.33	-76.36
O=C([O-])C1CCCC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C1	REAL300006841660	0	51	0.0	-82.60	352.41	9.53	-73.07
O=C([O-])C1CCCC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C1	REAL300006841660	1	51	0.0	-86.56	343.52	9.41	-77.15
O=C([O-])C1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=N1	REAL300006841661	0	44	0.0	-72.34	321.77	7.21	-65.13
O=C([O-])C1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=N1	REAL300006841661	1	44	0.0	-72.25	322.53	7.39	-64.86
O=C([O-])C1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)N=C1	REAL300006841662	0	44	0.0	-61.50	322.16	8.23	-53.27
O=C([O-])C1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)N=C1	REAL300006841662	1	44	0.0	-60.82	321.48	8.31	-52.51
CC(C)(CC(=O)[O-])CC(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841663	0	50	0.0	-73.59	336.62	8.97	-64.62
CC(C)(CC(=O)[O-])CC(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841663	1	50	0.0	-73.80	336.37	9.10	-64.70
O=C([O-])C1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C(F)=C1	REAL300006841664	0	45	0.0	-72.23	332.92	9.23	-63.00
O=C([O-])C1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C(F)=C1	REAL300006841664	1	45	0.0	-71.78	333.44	9.36	-62.42
O=C([O-])C1=CN=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=N1	REAL300006841665	0	43	0.0	-65.02	317.78	6.38	-58.64
O=C([O-])C1=CN=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=N1	REAL300006841665	1	43	0.0	-64.30	317.01	6.48	-57.82
O=C([O-])[C@H]1CC[C@H](C(=O)N2CC[N@@H+]3CCCC3C23CCC3)CC1	REAL300006841666	0	51	0.0	-72.80	351.14	9.65	-63.15
O=C([O-])[C@H]1CC[C@H](C(=O)N2CC[N@H+]3CCCC3C23CCC3)CC1	REAL300006841666	1	51	0.0	-73.44	352.65	9.55	-63.89
O=C([O-])C1CCC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)CC1	REAL300006841667	0	51	0.0	-73.71	349.30	9.45	-64.26
O=C([O-])C1CCC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)CC1	REAL300006841667	1	51	0.0	-80.48	342.26	9.47	-71.01
O=C([O-])C1=CC=C(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841668	0	48	0.0	-88.27	352.20	10.17	-78.10
O=C([O-])C1=CC=C(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841668	1	48	0.0	-88.57	352.01	10.31	-78.26
O=C([O-])C1=CN(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)N=N1	REAL300006841669	0	44	0.0	-89.54	329.28	6.16	-83.38
O=C([O-])C1=CN(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)N=N1	REAL300006841669	1	44	0.0	-90.17	329.04	6.28	-83.89
CC1=NC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=CC=C1C(=O)[O-]	REAL300006841670	0	47	0.0	-62.51	338.57	8.72	-53.79
CC1=NC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=CC=C1C(=O)[O-]	REAL300006841670	1	47	0.0	-63.20	340.93	8.88	-54.32
O=C([O-])C1=CC(Br)=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841671	0	45	0.0	-75.17	347.66	9.66	-65.51
O=C([O-])C1=CC(Br)=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841671	1	45	0.0	-76.72	346.25	9.70	-67.02
O=C([O-])C1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841672	0	45	0.0	-72.60	326.29	9.07	-63.53
O=C([O-])C1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841672	1	45	0.0	-72.51	326.15	9.24	-63.27
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C1	REAL300006841673	0	48	0.0	-81.60	330.83	8.90	-72.70
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[N@H+]3CCCC3C23CCC3)C1	REAL300006841673	1	48	0.0	-83.09	331.63	8.98	-74.11
O=C([O-])CC1=CC=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841674	0	48	0.0	-72.26	348.48	9.88	-62.38
O=C([O-])CC1=CC=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841674	1	48	0.0	-71.42	348.22	10.00	-61.42
O=C([O-])CC1=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=CO1	REAL300006841675	0	45	0.0	-80.59	329.69	8.19	-72.40
O=C([O-])CC1=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=CO1	REAL300006841675	1	45	0.0	-66.94	329.04	8.33	-58.61
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841676	0	48	0.0	-74.19	357.11	8.99	-65.20
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841676	1	48	0.0	-46.86	350.49	8.95	-37.91
O=C([O-])C1=CC=NC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841677	0	44	0.0	-72.76	322.40	8.25	-64.51
O=C([O-])C1=CC=NC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841677	1	44	0.0	-72.29	321.67	8.32	-63.97
O=C([O-])C1CCC(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)CC1	REAL300006841678	0	54	0.0	-81.71	372.33	10.42	-71.29
O=C([O-])C1CCC(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)CC1	REAL300006841678	1	54	0.0	-69.19	365.11	10.31	-58.88
CC(C)(CC(=O)[O-])CC(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841679	0	50	0.0	-73.59	336.62	8.97	-64.62
CC(C)(CC(=O)[O-])CC(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841679	1	50	0.0	-73.80	336.37	9.10	-64.70
O=C([O-])C1=C2N=CC=C(C(=O)N3CC[N@@H+]4CCCC4C34CCC4)N2N=C1	REAL300006841680	0	47	0.0	-76.98	350.05	8.56	-68.42
O=C([O-])C1=C2N=CC=C(C(=O)N3CC[N@H+]4CCCC4C34CCC4)N2N=C1	REAL300006841680	1	47	0.0	-86.32	355.31	8.31	-78.01
O=C([O-])CC1=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)NC2=CC=CC=C21	REAL300006841681	0	52	0.0	-86.60	379.38	10.40	-76.20
O=C([O-])CC1=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)NC2=CC=CC=C21	REAL300006841681	1	52	0.0	-75.11	378.14	10.46	-64.65
O=C([O-])C1=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=NO1	REAL300006841682	0	41	0.0	-61.71	305.39	7.32	-54.39
O=C([O-])C1=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=NO1	REAL300006841682	1	41	0.0	-61.57	304.86	7.47	-54.10
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CC[N@@H+]4CCCC4C34CCC4)C2=C1	REAL300006841683	0	58	0.0	-69.38	406.24	12.43	-56.95
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CC[N@H+]4CCCC4C34CCC4)C2=C1	REAL300006841683	1	58	0.0	-67.86	406.03	12.54	-55.32
CC1=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C(C(=O)[O-])O1	REAL300006841684	0	45	0.0	-65.34	331.87	8.51	-56.83
CC1=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C(C(=O)[O-])O1	REAL300006841684	1	45	0.0	-65.32	330.19	8.54	-56.78
CC1=C(C(=O)[O-])OC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841685	0	45	0.0	-57.93	329.17	8.48	-49.45
CC1=C(C(=O)[O-])OC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841685	1	45	0.0	-57.40	328.32	8.52	-48.88
O=C([O-])C1=CN(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)N=C1	REAL300006841686	0	45	0.0	-85.11	334.21	7.63	-77.48
O=C([O-])C1=CN(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)N=C1	REAL300006841686	1	45	0.0	-85.47	333.92	7.76	-77.71
O=C([O-])C=CC1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)O1	REAL300006841687	0	46	0.0	-61.53	344.32	9.12	-52.41
O=C([O-])C=CC1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)O1	REAL300006841687	1	46	0.0	-61.15	343.52	9.15	-52.00
O=C([O-])COC1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841688	0	49	0.0	-72.86	357.10	9.40	-63.46
O=C([O-])COC1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841688	1	49	0.0	-73.37	356.02	9.38	-63.99
O=C([O-])CSCCC(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841689	0	45	0.0	-71.04	337.29	8.72	-62.32
O=C([O-])CSCCC(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841689	1	45	0.0	-71.20	337.02	8.84	-62.36
O=C([O-])C1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)N=C1	REAL300006841690	0	44	0.0	-61.50	322.16	8.23	-53.27
O=C([O-])C1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)N=C1	REAL300006841690	1	44	0.0	-60.82	321.48	8.31	-52.51
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841691	0	45	0.0	-68.85	327.01	6.91	-61.94
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841691	1	45	0.0	-68.72	325.82	6.94	-61.78
C[C@@H]1C[C@H](C(=O)N2CC[N@@H+]3CCCC3C23CCC3)O[C@H]1C(=O)[O-]	REAL300006841692	0	49	0.0	-82.08	346.48	8.83	-73.25
C[C@@H]1C[C@H](C(=O)N2CC[N@H+]3CCCC3C23CCC3)O[C@H]1C(=O)[O-]	REAL300006841692	1	49	0.0	-81.20	345.17	8.73	-72.47
O=C([O-])CC1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841693	0	48	0.0	-72.65	348.42	9.83	-62.82
O=C([O-])CC1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841693	1	48	0.0	-65.52	348.31	10.03	-55.49
O=C([O-])C=CC1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841694	0	49	0.0	-74.87	358.13	10.42	-64.45
O=C([O-])C=CC1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841694	1	49	0.0	-74.74	358.25	10.54	-64.20
O=C([O-])C1=COC(C=CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841695	0	46	0.0	-74.83	345.67	8.89	-65.94
O=C([O-])C1=COC(C=CC(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841695	1	46	0.0	-75.19	345.26	9.04	-66.15
O=C([O-])C1=C(COCC(=O)N2CC[N@@H+]3CCCC3C23CCC3)OC=N1	REAL300006841696	0	48	0.0	-86.14	360.30	5.08	-81.06
O=C([O-])C1=C(COCC(=O)N2CC[N@H+]3CCCC3C23CCC3)OC=N1	REAL300006841696	1	48	0.0	-83.56	359.97	5.22	-78.34
O=C([O-])C1=CC=C(C=CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)O1	REAL300006841697	0	46	0.0	-67.19	347.23	9.25	-57.94
O=C([O-])C1=CC=C(C=CC(=O)N2CC[N@H+]3CCCC3C23CCC3)O1	REAL300006841697	1	46	0.0	-67.11	347.01	9.30	-57.81
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C1	REAL300006841698	0	48	0.0	-81.60	330.83	8.90	-72.70
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[N@H+]3CCCC3C23CCC3)C1	REAL300006841698	1	48	0.0	-83.09	331.63	8.98	-74.11
CC1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1C(=O)[O-]	REAL300006841699	0	48	0.0	-83.77	340.63	9.61	-74.16
CC1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1C(=O)[O-]	REAL300006841699	1	48	0.0	-83.63	340.30	9.75	-73.88
O=C([O-])C1=CN=CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841700	0	44	0.0	-73.57	321.96	7.37	-66.20
O=C([O-])C1=CN=CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841700	1	44	0.0	-73.63	321.67	7.39	-66.24
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841701	0	47	0.0	-61.18	341.54	8.06	-53.12
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841701	1	47	0.0	-61.39	340.32	8.12	-53.27
O=C([O-])C1=NN(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841702	0	45	0.0	-96.06	333.56	7.65	-88.41
O=C([O-])C1=NN(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841702	1	45	0.0	-98.97	333.29	7.78	-91.19
O=C([O-])C1=NN(CCCC(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841703	0	51	0.0	-94.99	377.22	9.03	-85.96
O=C([O-])C1=NN(CCCC(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841703	1	51	0.0	-97.11	376.98	9.16	-87.95
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC[N@@H+]3CCCC3C23CCC3)O1	REAL300006841704	0	52	0.0	-85.76	367.69	9.20	-76.56
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC[N@H+]3CCCC3C23CCC3)O1	REAL300006841704	1	52	0.0	-85.33	367.45	9.21	-76.12
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CC[N@@H+]3CCCC3C23CCC3)C1	REAL300006841705	0	52	0.0	-73.41	369.95	8.34	-65.07
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CC[N@H+]3CCCC3C23CCC3)C1	REAL300006841705	1	52	0.0	-75.34	369.79	8.41	-66.93
CC1=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)OC(C(=O)[O-])=C1	REAL300006841706	0	45	0.0	-57.97	329.23	8.57	-49.40
CC1=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)OC(C(=O)[O-])=C1	REAL300006841706	1	45	0.0	-57.46	328.13	8.62	-48.84
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841707	0	53	0.0	-55.84	355.77	10.36	-45.48
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841707	1	53	0.0	-70.81	346.13	10.56	-60.25
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841708	0	51	0.0	-79.81	340.41	9.60	-70.21
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841708	1	51	0.0	-75.24	336.01	9.72	-65.52
O=C([O-])C1CCCN(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)C1	REAL300006841709	1	53	0.0	-79.10	367.88	7.58	-71.52
O=C([O-])C1CCCN(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)C1	REAL300006841709	1	53	0.0	-80.61	362.09	7.29	-73.32
O=C([O-])CC1=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)NC2=CC=CC=C21	REAL300006841710	0	52	0.0	-86.60	379.38	10.40	-76.20
O=C([O-])CC1=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)NC2=CC=CC=C21	REAL300006841710	1	52	0.0	-75.11	378.14	10.46	-64.65
O=C([O-])C1=CN(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)C2=CC=CC=C12	REAL300006841711	0	52	0.0	-95.42	385.54	11.58	-83.84
O=C([O-])C1=CN(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)C2=CC=CC=C12	REAL300006841711	1	52	0.0	-98.12	385.22	11.73	-86.39
O=C([O-])C1CC12CC(C(=O)N1CC[N@@H+]3CCCC3C13CCC3)C2	REAL300006841712	0	49	0.0	-73.16	349.87	9.87	-63.29
O=C([O-])C1CC12CC(C(=O)N1CC[N@H+]3CCCC3C13CCC3)C2	REAL300006841712	1	49	0.0	-75.81	347.40	9.92	-65.89
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841713	0	51	0.0	-84.38	356.17	10.37	-74.01
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841713	1	51	0.0	-85.36	356.90	10.52	-74.84
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841714	0	48	0.0	-63.39	346.25	9.87	-53.52
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841714	1	48	0.0	-63.64	345.04	9.92	-53.72
CC1(C(=O)[O-])CC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C1	REAL300006841715	0	48	0.0	-63.60	335.59	8.84	-54.76
CC1(C(=O)[O-])CC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C1	REAL300006841715	1	48	0.0	-78.38	337.87	9.03	-69.35
O=C([O-])C1=NNC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841716	0	42	0.0	-79.12	307.87	5.94	-73.18
O=C([O-])C1=NNC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841716	1	42	0.0	-78.72	307.79	6.01	-72.71
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841717	0	47	0.0	-70.01	336.44	7.83	-62.18
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841717	1	47	0.0	-70.44	334.91	7.96	-62.48
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841718	0	48	0.0	-72.06	345.71	9.76	-62.30
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841718	1	48	0.0	-72.14	345.02	9.94	-62.20
O=C([O-])C1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C(Cl)=C1	REAL300006841719	0	45	0.0	-70.68	341.66	9.65	-61.03
O=C([O-])C1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C(Cl)=C1	REAL300006841719	1	45	0.0	-70.96	340.47	9.74	-61.22
O=C([O-])C1CC2(C1)CC(C(=O)N1CC[N@@H+]3CCCC3C13CCC3)C2	REAL300006841720	0	52	0.0	-77.18	368.05	10.32	-66.86
O=C([O-])C1CC2(C1)CC(C(=O)N1CC[N@H+]3CCCC3C13CCC3)C2	REAL300006841720	1	52	0.0	-77.21	367.36	10.46	-66.75
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841721	0	48	0.0	-50.73	352.66	7.54	-43.19
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841721	1	48	0.0	-49.38	351.92	7.60	-41.78
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841722	0	46	0.0	-74.37	327.12	8.34	-66.03
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841722	1	46	0.0	-74.16	326.22	8.47	-65.69
O=C([O-])CCC1=CC=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841723	0	51	0.0	-72.95	369.82	10.64	-62.31
O=C([O-])CCC1=CC=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841723	1	51	0.0	-71.47	369.71	10.84	-60.63
O=C([O-])CC1(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)CC1	REAL300006841724	0	48	0.0	-64.89	338.95	9.24	-55.65
O=C([O-])CC1(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)CC1	REAL300006841724	1	48	0.0	-65.93	339.93	9.38	-56.55
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CC[N@@H+]3CCCC3C13CCC3)C2	REAL300006841725	0	49	0.0	-62.39	361.13	10.00	-52.39
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CC[N@H+]3CCCC3C13CCC3)C2	REAL300006841725	1	49	0.0	-86.52	360.26	10.08	-76.44
O=C([O-])C1=NC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=CS1	REAL300006841726	0	41	0.0	-51.93	314.59	7.14	-44.79
O=C([O-])C1=NC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=CS1	REAL300006841726	1	41	0.0	-50.07	313.60	7.24	-42.83
CC1=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C(C(=O)[O-])S1	REAL300006841727	0	45	0.0	-62.21	338.09	9.00	-53.21
CC1=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C(C(=O)[O-])S1	REAL300006841727	1	45	0.0	-63.31	337.82	9.14	-54.17
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CC[N@@H+]3CCCC3C13CCC3)=C2	REAL300006841728	0	45	0.0	-77.59	354.18	9.63	-67.96
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CC[N@H+]3CCCC3C13CCC3)=C2	REAL300006841728	1	45	0.0	-75.82	354.89	9.85	-65.97
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841729	0	49	0.0	-74.48	365.90	8.86	-65.62
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841729	1	49	0.0	-73.92	366.91	8.83	-65.09
O=C([O-])C1=C2C=C(C(=O)N3CC[N@@H+]4CCCC4C34CCC4)SC2=CC=C1	REAL300006841730	0	48	0.0	-82.18	360.28	10.50	-71.68
O=C([O-])C1=C2C=C(C(=O)N3CC[N@H+]4CCCC4C34CCC4)SC2=CC=C1	REAL300006841730	1	48	0.0	-82.09	360.29	10.51	-71.58
O=C([O-])C1=NC=CC=C1CCC(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841731	0	50	0.0	-73.79	360.18	9.07	-64.72
O=C([O-])C1=NC=CC=C1CCC(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841731	1	50	0.0	-76.68	361.14	9.11	-67.57
O=C([O-])C1=CC=C(/C=C/C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1	REAL300006841732	0	49	0.0	-78.43	361.18	10.67	-67.76
O=C([O-])C1=CC=C(/C=C/C(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1	REAL300006841732	1	49	0.0	-78.62	360.61	10.85	-67.77
O=C([O-])C1=CSC2=C1NC(C(=O)N1CC[N@@H+]3CCCC3C13CCC3)=C2	REAL300006841733	0	46	0.0	-60.84	349.20	8.71	-52.13
O=C([O-])C1=CSC2=C1NC(C(=O)N1CC[N@H+]3CCCC3C13CCC3)=C2	REAL300006841733	1	46	0.0	-60.87	349.20	8.71	-52.16
O=C([O-])C1=CC2=C(C=C(C(=O)N3CC[N@@H+]4CCCC4C34CCC4)N2)S1	REAL300006841734	0	46	0.0	-75.42	349.36	8.87	-66.55
O=C([O-])C1=CC2=C(C=C(C(=O)N3CC[N@H+]4CCCC4C34CCC4)N2)S1	REAL300006841734	1	46	0.0	-75.36	349.43	8.84	-66.52
O=C([O-])C1=COC2=C1NC(C(=O)N1CC[N@@H+]3CCCC3C13CCC3)=C2	REAL300006841735	0	46	0.0	-63.38	340.48	7.88	-55.50
O=C([O-])C1=COC2=C1NC(C(=O)N1CC[N@H+]3CCCC3C13CCC3)=C2	REAL300006841735	1	46	0.0	-63.40	340.41	7.93	-55.47
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841736	0	48	0.0	-76.97	340.79	9.61	-67.36
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841736	1	48	0.0	-76.70	339.56	9.83	-66.87
O=C([O-])C1=CC=C(C=CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=N1	REAL300006841737	0	48	0.0	-78.86	356.86	8.92	-69.94
O=C([O-])C1=CC=C(C=CC(=O)N2CC[N@H+]3CCCC3C23CCC3)C=N1	REAL300006841737	1	48	0.0	-79.06	356.26	9.05	-70.01
O=C([O-])C1=CSC(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841738	0	42	0.0	-81.55	317.42	8.07	-73.48
O=C([O-])C1=CSC(C(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841738	1	42	0.0	-78.48	318.14	8.29	-70.19
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841739	0	50	0.0	-61.12	344.46	8.01	-53.11
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841739	1	50	0.0	-70.41	344.84	7.72	-62.69
O=C([O-])C1=CC=CC2=C(C(=O)N3CC[N@@H+]4CCCC4C34CCC4)C=CC=C12	REAL300006841740	0	51	0.0	-77.40	365.93	11.32	-66.08
O=C([O-])C1=CC=CC2=C(C(=O)N3CC[N@H+]4CCCC4C34CCC4)C=CC=C12	REAL300006841740	1	51	0.0	-77.51	365.70	11.34	-66.17
CC(C)[C@]1(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)C[C@H]1C(=O)[O-]	REAL300006841741	0	51	0.0	-58.75	347.57	9.11	-49.64
CC(C)[C@]1(C(=O)N2CC[N@H+]3CCCC3C23CCC3)C[C@H]1C(=O)[O-]	REAL300006841741	1	51	0.0	-78.32	347.72	9.79	-68.53
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841742	0	51	0.0	-89.62	368.95	10.64	-78.98
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841742	1	51	0.0	-90.32	368.68	10.78	-79.54
O=C([O-])C1=CSC(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)=C1	REAL300006841743	0	45	0.0	-85.73	343.67	9.35	-76.38
O=C([O-])C1=CSC(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)=C1	REAL300006841743	1	45	0.0	-83.82	343.44	9.48	-74.34
O=C([O-])C1=CC=C(CC(=O)N2CC[N@@H+]3CCCC3C23CCC3)C=C1F	REAL300006841744	0	48	0.0	-91.00	356.74	10.20	-80.80
O=C([O-])C1=CC=C(CC(=O)N2CC[N@H+]3CCCC3C23CCC3)C=C1F	REAL300006841744	1	48	0.0	-91.37	356.43	10.37	-81.00
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CC[N@@H+]2CCCC2C12CCC2	REAL300006841745	0	48	0.0	-65.90	334.49	9.07	-56.83
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CC[N@H+]2CCCC2C12CCC2	REAL300006841745	1	48	0.0	-71.90	333.29	9.12	-62.78
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CC[N@@H+]3CCCC3C23CCC3)S1	REAL300006841746	0	52	0.0	-67.53	375.41	10.71	-56.82
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CC[N@H+]3CCCC3C23CCC3)S1	REAL300006841746	1	52	0.0	-67.23	376.73	10.75	-56.48
CC1=CC=C2CCCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300006841811	0	50	0.0	-49.54	366.19	11.55	-37.99
CC1=CC=C2CCCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300006841811	1	50	0.0	-48.64	372.41	11.58	-37.06
O=C([O-])C1CCC[N@H+](CC(=O)NC(CF)C2=CC=C(F)C=C2F)C1	REAL300006841927	0	43	0.0	-54.07	342.53	8.52	-45.55
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CF)C2=CC=C(F)C=C2F)C1	REAL300006841927	1	43	0.0	-49.74	341.67	8.06	-41.68
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300006842047	0	53	0.0	-47.76	399.21	12.73	-35.03
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300006842047	1	53	0.0	-48.40	393.37	12.77	-35.63
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006843408	0	54	0.0	-54.46	392.04	11.55	-42.91
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300006844178	0	51	0.0	-46.40	376.35	10.91	-35.49
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300006844178	1	51	0.0	-44.57	374.93	10.99	-33.58
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300006845027	1	51	0.0	-44.76	385.71	10.99	-33.77
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300006845027	1	51	0.0	-48.30	392.31	11.38	-36.92
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[NH+](C2CC2)CC1	REAL300006845102	0	48	0.0	-52.57	341.12	9.08	-43.49
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])CN21	REAL300006845130	1	46	0.0	-49.25	340.65	8.98	-40.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300006845131	0	54	0.0	-48.38	394.22	11.47	-36.91
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])CC2)=CS1	REAL300006845207	1	53	0.0	-55.17	400.64	9.22	-45.95
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])N1CC[NH+](C)CC1	REAL300006845208	1	49	0.0	-59.24	342.67	6.22	-53.02
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300006845292	0	57	0.0	-64.69	424.92	11.08	-53.61
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300006845304	0	57	0.0	-69.69	426.61	13.30	-56.39
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300006845304	1	57	0.0	-69.79	427.07	13.32	-56.47
CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300006845306	0	57	0.0	-54.58	404.44	11.90	-42.68
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CCCCC1	REAL300006845391	0	53	0.0	-47.63	358.96	9.57	-38.06
C[N@H+](CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1CCCCC1	REAL300006845395	0	53	0.0	-51.22	370.46	9.81	-41.41
C[N@@H+](CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1CCCCC1	REAL300006845395	1	53	0.0	-51.50	370.46	9.82	-41.68
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006845418	1	54	0.0	-47.46	396.86	11.47	-35.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006845418	1	54	0.0	-49.38	386.90	11.26	-38.12
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300006845419	1	51	0.0	-45.52	375.39	10.54	-34.98
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300006845419	1	51	0.0	-49.23	381.99	10.93	-38.30
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006845476	0	47	0.0	-60.44	361.15	8.89	-51.55
C[NH+](C)CCN1N=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1C1=CC=CC=C1	REAL300006845481	0	57	0.0	-68.83	425.04	10.97	-57.86
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300006845506	0	54	0.0	-43.47	367.98	10.09	-33.38
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300006845506	1	54	0.0	-44.95	363.98	10.16	-34.79
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006845507	0	55	0.0	-55.34	376.18	8.47	-46.87
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845538	1	45	0.0	-53.00	342.03	9.23	-43.77
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845539	1	51	0.0	-59.67	369.31	7.94	-51.73
CC[N@H+](CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1)C(C)C	REAL300006845541	0	56	0.0	-61.41	391.56	11.17	-50.24
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1)C(C)C	REAL300006845541	1	56	0.0	-63.99	391.76	11.14	-52.85
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006845566	0	51	0.0	-53.43	374.89	10.59	-42.84
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006845566	1	51	0.0	-53.43	376.54	10.81	-42.62
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006845567	0	52	0.0	-57.80	375.51	10.10	-47.70
C[NH+]1CCN(C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C2=CC=CC=C2)CC1	REAL300006845596	1	56	0.0	-56.96	397.43	8.62	-48.34
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845597	0	55	0.0	-52.74	368.50	8.08	-44.66
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006845600	0	50	0.0	-46.30	366.69	10.20	-36.10
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006845600	1	50	0.0	-46.86	366.85	10.21	-36.65
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006845611	0	57	0.0	-52.87	409.28	12.47	-40.40
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006845611	1	57	0.0	-52.47	409.93	12.47	-40.00
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300006845640	0	46	0.0	-63.88	346.46	8.24	-55.64
CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845651	0	55	0.0	-54.71	393.54	10.53	-44.18
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300006845652	1	55	0.0	-43.37	398.99	8.26	-35.11
CC[N@H+](C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=CC=C1	REAL300006845653	0	50	0.0	-43.53	363.81	10.43	-33.10
CC[N@@H+](C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=CC=C1	REAL300006845653	1	50	0.0	-44.65	364.05	10.42	-34.23
CC[NH+](CC)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=CC=C1	REAL300006845658	0	53	0.0	-44.14	369.53	10.38	-33.76
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845664	1	45	0.0	-45.88	338.38	8.93	-36.95
C[NH+](C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300006845666	1	47	0.0	-48.65	362.43	10.35	-38.30
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006845680	0	51	0.0	-63.64	375.29	10.87	-52.77
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006845687	0	54	0.0	-64.83	391.44	11.57	-53.26
CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])CC2)CC1	REAL300006845694	0	62	0.0	-54.06	421.88	8.81	-45.25
CC1C[NH+](CC2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CC(C)O1	REAL300006845701	1	58	0.0	-66.53	425.35	10.60	-55.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006845712	1	55	0.0	-60.88	406.34	10.76	-50.12
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006845712	1	55	0.0	-59.91	399.40	10.70	-49.21
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300006845727	0	54	0.0	-43.63	390.10	11.37	-32.26
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300006845727	1	54	0.0	-45.50	380.62	11.20	-34.30
CC1=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006845729	1	45	0.0	-70.30	347.68	8.10	-62.20
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006845737	0	54	0.0	-63.83	391.88	11.57	-52.26
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006845749	1	47	0.0	-69.92	356.86	8.42	-61.50
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300006845750	0	50	0.0	-68.53	372.81	10.56	-57.97
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845761	1	43	0.0	-44.47	321.57	7.32	-37.15
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006845762	1	52	0.0	-44.45	378.51	10.19	-34.26
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006845762	1	52	0.0	-48.96	377.99	10.18	-38.78
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006845776	0	60	0.0	-47.32	429.99	12.68	-34.64
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[NH+]1CCSCC1	REAL300006845816	1	45	0.0	-46.46	329.96	8.31	-38.15
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845823	0	50	0.0	-51.09	370.83	10.66	-40.43
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845823	1	50	0.0	-50.43	370.12	10.78	-39.65
COCCOCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845824	0	54	0.0	-52.20	399.12	6.96	-45.24
COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845824	1	54	0.0	-53.67	399.41	6.99	-46.68
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300006845828	0	48	0.0	-54.67	339.68	6.67	-48.00
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300006845828	1	48	0.0	-52.80	342.76	6.57	-46.23
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006845838	0	59	0.0	-59.01	424.82	10.45	-48.56
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300006845839	1	53	0.0	-47.60	385.80	9.64	-37.96
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300006845839	1	53	0.0	-46.58	385.09	9.63	-36.95
CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845842	0	52	0.0	-48.20	375.41	9.97	-38.23
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845842	1	52	0.0	-47.59	374.71	10.10	-37.49
C[N@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1CCSC1	REAL300006845871	0	45	0.0	-51.33	330.63	8.55	-42.78
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1CCSC1	REAL300006845871	1	45	0.0	-50.68	330.42	8.57	-42.11
CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006845886	0	55	0.0	-56.19	387.39	7.39	-48.80
CC(C)N1CC[NH+](CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006845886	1	55	0.0	-50.63	383.20	7.36	-43.27
CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006845887	0	58	0.0	-57.76	407.84	8.30	-49.46
CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006845887	1	58	0.0	-55.20	404.71	8.16	-47.04
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC2CCC[N@@H+]21	REAL300006845888	0	48	0.0	-45.15	328.52	8.77	-36.38
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC2CCC[N@H+]21	REAL300006845888	1	48	0.0	-43.06	336.36	9.06	-34.00
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300006845890	0	47	0.0	-69.08	356.56	7.73	-61.35
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])CC2)=C1	REAL300006845897	0	59	0.0	-54.67	425.23	10.35	-44.32
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006845899	0	56	0.0	-54.56	403.83	9.69	-44.87
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006845902	0	53	0.0	-57.93	387.24	9.75	-48.18
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006845902	1	53	0.0	-55.28	382.01	9.76	-45.52
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006845907	1	51	0.0	-46.04	367.46	10.74	-35.30
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006845907	1	51	0.0	-45.75	370.40	10.62	-35.13
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006845935	0	54	0.0	-58.06	394.82	11.41	-46.65
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006845935	1	54	0.0	-58.01	397.21	11.48	-46.53
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=N1	REAL300006845950	0	47	0.0	-65.24	356.84	7.73	-57.51
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845951	0	47	0.0	-59.40	351.52	7.68	-51.72
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845957	1	48	0.0	-48.43	357.63	9.42	-39.01
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006845973	0	54	0.0	-57.08	393.27	11.67	-45.41
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006845973	1	54	0.0	-54.73	393.56	11.68	-43.05
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300006845974	1	50	0.0	-43.70	369.74	9.25	-34.45
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300006845974	1	50	0.0	-47.85	372.06	9.06	-38.79
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006845978	0	48	0.0	-49.95	343.19	7.08	-42.87
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006845979	0	55	0.0	-54.28	401.58	9.10	-45.18
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006846032	1	54	0.0	-58.66	394.79	9.81	-48.85
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006846033	0	54	0.0	-50.29	377.10	10.14	-40.15
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006846033	1	54	0.0	-51.30	377.46	10.09	-41.21
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C12CCC[NH+](CCC1)C2	REAL300006846052	0	48	0.0	-59.15	328.35	8.52	-50.63
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC2CCCC[N@@H+]21	REAL300006846056	0	48	0.0	-43.20	332.38	8.79	-34.41
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC2CCCC[N@H+]21	REAL300006846056	1	48	0.0	-42.59	339.81	9.09	-33.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300006846058	0	59	0.0	-56.99	423.31	10.54	-46.45
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300006846058	1	59	0.0	-58.29	421.19	10.40	-47.89
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006846065	0	51	0.0	-52.30	351.00	7.42	-44.88
CC(C)[N@@H+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006846070	0	60	0.0	-58.21	407.00	9.21	-49.00
CC(C)[N@H+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300006846070	1	60	0.0	-51.36	412.46	9.50	-41.86
CN1C=C(C2C[N@H+](C)CCC2C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300006846071	0	54	0.0	-59.77	387.22	8.73	-51.04
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300006846071	1	54	0.0	-61.72	382.04	8.42	-53.30
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=C2)CC1	REAL300006846076	0	56	0.0	-65.80	408.81	9.13	-56.67
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CC1	REAL300006846077	0	56	0.0	-67.28	409.10	9.12	-58.16
CN1CC[NH+](CC2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CC1	REAL300006846077	1	56	0.0	-64.40	408.36	9.02	-55.38
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300006846078	0	57	0.0	-62.09	415.64	10.84	-51.25
CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006846084	0	50	0.0	-52.95	347.36	8.82	-44.13
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006846198	0	58	0.0	-67.25	423.21	8.82	-58.43
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300006846202	0	47	0.0	-66.31	349.86	9.71	-56.60
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006846203	0	54	0.0	-53.89	394.06	11.39	-42.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006846203	1	54	0.0	-54.46	393.02	11.40	-43.06
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006846269	0	46	0.0	-56.20	340.73	9.19	-47.01
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006846271	0	50	0.0	-44.30	352.81	9.21	-35.09
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006846271	1	50	0.0	-46.04	343.74	9.04	-37.00
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006846273	0	47	0.0	-53.43	341.35	10.14	-43.29
CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006846275	0	52	0.0	-58.04	370.65	6.88	-51.16
CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006846275	1	52	0.0	-50.64	368.47	6.88	-43.76
CC(C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[NH+]1CCCCC1	REAL300006846277	0	53	0.0	-43.53	362.18	9.86	-33.67
C[NH+](C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=CC=C1	REAL300006846278	1	47	0.0	-45.74	345.64	9.81	-35.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300006846282	0	52	0.0	-50.64	384.65	7.63	-43.01
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006846282	1	52	0.0	-50.83	385.07	7.69	-43.14
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006846288	1	48	0.0	-48.39	357.56	9.39	-39.00
C[NH+](C)CC1=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])OC2=CC=CC=C21	REAL300006846289	0	50	0.0	-62.36	376.34	10.18	-52.18
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300006846294	0	51	0.0	-46.92	344.83	9.33	-37.59
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300006846294	1	51	0.0	-44.86	358.36	9.60	-35.26
CC(C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300006846323	1	57	0.0	-45.33	396.82	9.25	-36.08
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[NH+]1CCCCCC1	REAL300006846324	0	50	0.0	-44.51	341.60	8.73	-35.78
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC=C1N2	REAL300006846360	1	52	0.0	-73.51	385.09	10.15	-63.36
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC=C1N2	REAL300006846360	1	52	0.0	-72.63	384.88	10.24	-62.39
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300006846418	0	50	0.0	-58.10	367.06	9.22	-48.88
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CCCC[NH+]1CCCC1	REAL300006846419	0	50	0.0	-57.02	361.35	9.60	-47.42
CC1=CC=C(N2CCC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])CC2)[NH+]=C1	REAL300006846421	1	53	0.0	-52.83	386.01	9.14	-43.69
C[N@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])CC1=CC=CC=C1	REAL300006846422	1	47	0.0	-48.36	347.65	9.93	-38.43
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])CC1=CC=CC=C1	REAL300006846422	1	47	0.0	-48.37	347.75	9.94	-38.43
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CC1	REAL300006846426	0	59	0.0	-64.30	417.16	10.19	-54.11
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006846440	1	42	0.0	-68.26	331.54	7.67	-60.59
C[NH+](C)CC1=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=NO1	REAL300006846469	1	43	0.0	-71.71	329.94	7.35	-64.36
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006846475	0	54	0.0	-55.28	396.94	11.34	-43.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006846475	1	54	0.0	-55.84	390.46	11.08	-44.76
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300006846499	0	55	0.0	-67.15	413.87	10.79	-56.36
C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006846516	0	48	0.0	-61.80	351.99	8.30	-53.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006846522	0	51	0.0	-57.13	376.45	9.92	-47.21
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006846563	0	53	0.0	-46.17	385.16	9.53	-36.64
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300006846563	1	53	0.0	-45.95	383.16	9.46	-36.49
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300006846707	0	50	0.0	-49.33	349.67	9.44	-39.89
CCC[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300006846707	1	50	0.0	-52.85	355.75	9.25	-43.60
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006846739	0	50	0.0	-45.08	357.37	9.40	-35.68
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006846739	1	50	0.0	-44.56	355.92	9.51	-35.05
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C[NH+]1CCC(CO)CC1	REAL300006846742	1	48	0.0	-49.28	345.47	5.39	-43.89
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300006846836	0	55	0.0	-46.84	400.53	11.69	-35.15
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300006846836	1	55	0.0	-49.44	403.14	11.64	-37.80
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300006846874	1	54	0.0	-48.42	387.05	11.27	-37.15
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300006846874	1	54	0.0	-46.24	396.85	11.46	-34.78
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300006846963	0	50	0.0	-51.20	350.59	9.00	-42.20
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300006846963	1	50	0.0	-48.79	344.63	9.21	-39.58
C[N@@H+]1CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C(F)(F)F)C1	REAL300006846964	0	44	0.0	-57.58	325.00	8.20	-49.38
C[N@H+]1CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C(F)(F)F)C1	REAL300006846964	1	44	0.0	-62.63	321.68	7.67	-54.96
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])N1	REAL300006846990	1	45	0.0	-48.18	342.85	7.55	-40.63
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300006847464	0	50	0.0	-69.45	372.33	10.53	-58.92
C[NH+](C)CCOC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300006847470	0	51	0.0	-66.27	380.41	9.52	-56.75
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006847560	0	57	0.0	-60.23	411.09	12.10	-48.13
CC1C[N@H+](CC2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CCO1	REAL300006847562	1	55	0.0	-65.63	403.23	10.04	-55.59
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CCO1	REAL300006847562	1	55	0.0	-66.11	403.23	10.04	-56.07
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300006847605	0	50	0.0	-53.95	342.64	8.99	-44.96
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300006847671	0	53	0.0	-51.92	374.06	9.90	-42.02
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300006847671	1	53	0.0	-51.92	374.06	9.90	-42.02
CN(C)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300006847676	0	44	0.0	-59.17	334.86	8.05	-51.12
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300006847676	1	44	0.0	-59.17	334.86	8.05	-51.12
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300006847681	0	53	0.0	-62.09	354.64	8.90	-53.19
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300006847681	1	53	0.0	-62.09	354.64	8.90	-53.19
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006847684	0	46	0.0	-40.77	329.85	9.51	-31.26
C[C@@H](CC1=C(F)C=CC=C1F)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006847785	0	49	0.0	-47.65	369.07	11.08	-36.57
C[C@@H](CC1=C(F)C=CC=C1F)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006847785	1	49	0.0	-47.65	369.07	11.08	-36.57
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCC2=NNN=C2C1	REAL300006847870	0	43	0.0	-51.68	324.03	3.81	-47.87
CC1=CC2=CC=CN=C2C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006847964	0	45	0.0	-47.91	345.57	8.54	-39.37
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=NC=CC=N3)CC2)C1	REAL300006848022	0	42	0.0	-47.28	329.22	5.75	-41.53
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=NC=CC=N3)CC2)C1	REAL300006848022	1	42	0.0	-49.90	335.06	6.44	-43.46
CC1=CC2=C(C=N1)CCN2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006848079	0	43	0.0	-46.87	321.52	8.02	-38.85
CC1=CC2=C(C=N1)CCN2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006848079	1	43	0.0	-48.13	327.72	8.04	-40.09
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC=C3)CCOC2)C1	REAL300006848172	0	48	0.0	-52.57	353.49	7.34	-45.23
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC=C3)CCOC2)C1	REAL300006848172	1	48	0.0	-51.58	360.47	7.58	-44.00
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(CO)CCSC2)C1	REAL300006848232	0	42	0.0	-48.31	324.28	3.44	-44.87
O=C([O-])C1CCC[N@H+](CC(=O)NC2(CO)CCSC2)C1	REAL300006848232	1	42	0.0	-45.10	318.37	3.47	-41.63
CC(C)CCN(CCO)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006848313	0	49	0.0	-47.38	364.06	6.22	-41.16
CC(C)CCN(CCO)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006848313	1	49	0.0	-45.38	357.97	6.40	-38.98
COCCC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300006848409	0	51	0.0	-49.50	373.26	6.40	-43.10
COCCC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300006848409	1	51	0.0	-50.05	373.17	6.41	-43.64
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC2C2=CC=CC=C2Cl)C1	REAL300006848528	0	47	0.0	-50.32	369.87	10.60	-39.72
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC2C2=CC=CC=C2Cl)C1	REAL300006848528	1	47	0.0	-47.12	373.70	9.69	-37.43
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(C)C=C1Cl	REAL300006848648	0	43	0.0	-51.13	343.21	9.23	-41.90
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(C)C=C1Cl	REAL300006848648	1	43	0.0	-50.27	337.74	9.25	-41.02
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CSC=C2)C2CC2)C1	REAL300006848749	0	44	0.0	-47.34	342.12	9.75	-37.59
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CSC=C2)C2CC2)C1	REAL300006848749	1	44	0.0	-44.79	340.47	9.47	-35.32
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006849862	0	50	0.0	-74.75	381.72	11.37	-63.38
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006851198	0	44	0.0	-71.53	333.95	9.12	-62.41
CC1=[NH+]C=C2CCC(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])CN12	REAL300006851226	1	42	0.0	-69.18	334.15	9.22	-59.96
CC1=NC(C[NH+]2CCC(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])CC2)=CS1	REAL300006851292	1	49	0.0	-71.07	393.16	9.69	-61.38
CC(C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300006851293	1	45	0.0	-65.89	332.19	5.74	-60.15
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300006851365	0	53	0.0	-76.37	419.06	11.20	-65.17
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006851422	0	35	0.0	-51.03	281.40	8.57	-42.46
C[NH+](C)CC1(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CCCCC1	REAL300006851448	0	49	0.0	-54.70	333.36	8.79	-45.91
C[N@H+](CCC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1CCCCC1	REAL300006851452	0	49	0.0	-66.07	363.42	10.06	-56.01
C[N@@H+](CCC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1CCCCC1	REAL300006851452	1	49	0.0	-65.44	363.40	10.05	-55.39
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006851512	0	43	0.0	-77.40	349.33	8.40	-69.00
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006851528	0	51	0.0	-52.52	363.41	8.12	-44.40
CC1=[NH+]C=CN1CCCC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851555	1	41	0.0	-64.63	335.98	9.36	-55.27
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300006851556	1	47	0.0	-72.98	363.26	8.04	-64.94
CC[N@H+](CC1=CC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1)C(C)C	REAL300006851557	0	52	0.0	-79.99	379.76	11.06	-68.93
CC[N@@H+](CC1=CC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1)C(C)C	REAL300006851557	1	52	0.0	-83.49	379.43	10.73	-72.76
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006851576	0	47	0.0	-66.34	365.01	10.71	-55.63
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006851576	1	47	0.0	-64.22	368.34	10.79	-53.43
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006851577	0	48	0.0	-79.15	368.32	10.14	-69.01
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006851605	0	51	0.0	-67.92	357.90	7.98	-59.94
CCC(C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[NH+](CC)CC	REAL300006851609	0	45	0.0	-51.55	327.68	8.57	-42.98
CC(C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006851611	0	46	0.0	-66.57	359.19	10.31	-56.26
CC(C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006851611	1	46	0.0	-61.20	358.38	10.36	-50.84
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006851619	0	53	0.0	-65.34	398.61	12.40	-52.94
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006851619	1	53	0.0	-73.57	404.79	12.29	-61.28
C[NH+](C)CC1=CC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=N1	REAL300006851633	0	42	0.0	-82.51	335.81	7.83	-74.68
CCC[NH+](CCC)CCCC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851641	0	51	0.0	-68.03	383.08	10.37	-57.66
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851649	1	41	0.0	-55.44	329.77	9.11	-46.33
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006851664	0	47	0.0	-87.08	364.71	10.70	-76.38
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006851669	0	50	0.0	-77.33	381.61	11.58	-65.75
CCN1CCC([NH+]2CCC(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])CC2)CC1	REAL300006851674	0	58	0.0	-70.98	414.39	8.96	-62.02
CC1C[NH+](CC2=CC=C(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C=C2)CC(C)O1	REAL300006851680	1	54	0.0	-90.02	414.78	10.44	-79.58
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006851691	1	51	0.0	-79.02	392.52	10.78	-68.24
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006851691	1	51	0.0	-74.70	399.31	10.84	-63.86
CC1=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006851707	1	41	0.0	-77.45	338.06	7.75	-69.70
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006851710	0	50	0.0	-87.25	381.45	11.41	-75.84
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006851721	1	43	0.0	-78.29	345.95	8.89	-69.40
C[NH+](C)CCC1=CC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300006851722	0	46	0.0	-90.42	362.38	10.39	-80.03
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851728	1	39	0.0	-57.45	314.27	6.84	-50.61
CC(C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006851738	0	56	0.0	-60.46	421.76	12.83	-47.63
C[N@H+](CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CC(C)(C)C	REAL300006851776	0	45	0.0	-57.73	335.14	8.93	-48.80
C[N@@H+](CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CC(C)(C)C	REAL300006851776	1	45	0.0	-58.52	335.13	8.93	-49.59
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851778	0	46	0.0	-61.31	364.14	10.79	-50.52
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851778	1	46	0.0	-61.32	364.13	10.80	-50.52
COCCOCC[N@H+](C)CCC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851779	0	50	0.0	-65.75	393.17	7.07	-58.68
COCCOCC[N@@H+](C)CCC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851779	1	50	0.0	-65.93	393.19	7.08	-58.85
C[N@@H+]1CCCC(O)(CC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006851782	0	44	0.0	-71.09	332.95	6.64	-64.45
C[N@H+]1CCCC(O)(CC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006851782	1	44	0.0	-66.66	322.72	6.42	-60.24
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006851790	0	55	0.0	-72.02	419.30	10.59	-61.43
CCCCCC[N@H+](C)CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851792	0	48	0.0	-59.84	368.70	10.12	-49.72
CCCCCC[N@@H+](C)CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851792	1	48	0.0	-59.90	368.72	10.12	-49.78
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006851805	1	35	0.0	-82.76	300.68	10.07	-72.69
C[N@H+](CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1CCSC1	REAL300006851821	0	41	0.0	-66.14	324.98	8.68	-57.46
C[N@@H+](CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1CCSC1	REAL300006851821	1	41	0.0	-62.14	324.29	8.61	-53.53
CC(C)[NH+]1CCN(CCC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006851834	0	51	0.0	-68.42	380.35	7.62	-60.80
CC(C)N1CC[NH+](CCC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006851834	1	51	0.0	-65.10	376.67	7.42	-57.68
CC(C)[NH+]1CCN(CCCC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006851835	0	54	0.0	-69.12	401.86	8.43	-60.69
CC(C)N1CC[NH+](CCCC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006851835	1	54	0.0	-67.88	398.66	8.26	-59.62
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300006851836	0	44	0.0	-53.12	325.18	8.92	-44.20
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300006851836	1	44	0.0	-53.78	319.10	8.47	-45.31
C[NH+](C)CCN1C=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=N1	REAL300006851838	0	43	0.0	-82.87	344.61	7.76	-75.11
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])CC2)=C1	REAL300006851841	0	55	0.0	-68.89	419.20	10.45	-58.44
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006851843	0	52	0.0	-68.74	397.29	9.75	-58.99
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006851845	0	49	0.0	-65.28	371.35	9.91	-55.37
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006851845	1	49	0.0	-62.92	370.23	9.52	-53.40
CC(C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006851850	1	47	0.0	-67.61	361.34	10.90	-56.71
CC(C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006851850	1	47	0.0	-54.69	360.82	10.47	-44.22
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006851872	0	50	0.0	-72.28	389.85	11.64	-60.64
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006851872	1	50	0.0	-77.22	391.11	11.74	-65.48
C[NH+](C)CCN1C=CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300006851886	0	43	0.0	-89.73	347.18	8.33	-81.40
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851887	0	43	0.0	-55.78	340.44	7.69	-48.09
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851888	1	44	0.0	-60.18	350.96	9.60	-50.58
CC[C@@H]1[C@@H](C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC[N@@H+]1C	REAL300006851891	0	43	0.0	-73.45	323.78	8.24	-65.21
CC[C@@H]1[C@@H](C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC[N@H+]1C	REAL300006851891	1	43	0.0	-68.92	322.67	8.25	-60.67
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=NN1	REAL300006851894	1	44	0.0	-83.22	348.30	7.87	-75.35
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=NN1	REAL300006851894	1	44	0.0	-80.17	343.64	7.39	-72.78
CC1C[N@H+](C)CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])O1	REAL300006851900	1	41	0.0	-75.73	311.78	6.73	-69.00
CC1C[N@@H+](C)CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])O1	REAL300006851900	1	41	0.0	-79.28	319.73	7.13	-72.15
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006851904	0	50	0.0	-67.42	388.18	11.39	-56.03
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006851904	1	50	0.0	-65.95	392.64	11.69	-54.26
CC(C[NH+]1CCOCC1)C(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851909	1	44	0.0	-65.55	336.34	7.12	-58.43
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006851910	0	51	0.0	-68.31	395.56	9.20	-59.11
CC1CC[NH+](CC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006851919	0	43	0.0	-59.19	327.60	8.86	-50.33
CC[N@@H+]1CCOC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006851932	1	41	0.0	-75.74	316.32	7.04	-68.70
CC[N@H+]1CCOC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006851932	1	41	0.0	-52.94	307.38	6.92	-46.02
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006851964	0	50	0.0	-61.69	368.53	10.22	-51.47
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006851964	1	50	0.0	-70.45	369.11	10.31	-60.14
C[N@@H+]1CCCC1CCC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851970	0	43	0.0	-72.99	332.88	9.05	-63.94
C[N@H+]1CCCC1CCC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006851970	1	43	0.0	-66.95	326.92	8.47	-58.48
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300006851981	0	44	0.0	-61.68	329.30	9.32	-52.36
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300006851981	1	44	0.0	-59.47	324.85	8.84	-50.63
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])=C2)CC1	REAL300006851995	0	52	0.0	-77.78	398.74	9.15	-68.63
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C=C2)CC1	REAL300006851996	0	52	0.0	-79.32	397.15	8.88	-70.44
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C=C2)CC1	REAL300006851996	1	52	0.0	-81.27	397.42	8.94	-72.33
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300006851997	0	53	0.0	-83.34	401.51	10.39	-72.95
CC(C)[NH+]1CCC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006852005	0	46	0.0	-68.88	339.53	8.99	-59.89
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300006852075	0	41	0.0	-73.15	298.39	7.37	-65.78
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300006852075	1	41	0.0	-76.37	297.06	7.20	-69.17
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006852109	0	54	0.0	-84.74	412.59	8.80	-75.94
CC1CCC(C)[NH+]1CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006852115	0	43	0.0	-55.01	321.64	8.25	-46.76
C[NH+](C)CC1=CC=CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=C1	REAL300006852116	0	43	0.0	-66.00	328.99	8.52	-57.48
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006852117	0	50	0.0	-65.40	376.13	11.52	-53.88
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006852117	1	50	0.0	-68.15	382.22	11.44	-56.71
C#CC[NH+]1CCC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006852166	0	42	0.0	-72.85	330.39	9.00	-63.85
CC[NH+]1CCN(CCC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006852168	0	48	0.0	-72.70	362.44	6.96	-65.74
CCN1CC[NH+](CCC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006852168	1	48	0.0	-64.62	363.61	7.11	-57.51
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006852175	1	44	0.0	-59.42	350.45	9.60	-49.82
CC(C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[NH+]1CCCCCC1	REAL300006852206	0	46	0.0	-53.07	332.51	8.85	-44.22
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])=CC=C1N2	REAL300006852239	1	48	0.0	-83.07	374.46	9.79	-73.28
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])=CC=C1N2	REAL300006852239	1	48	0.0	-84.04	374.48	10.03	-74.01
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])O1	REAL300006852283	0	46	0.0	-78.83	362.70	9.81	-69.02
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CCCC[NH+]1CCCC1	REAL300006852284	0	46	0.0	-70.29	354.72	9.65	-60.64
CC1=CC=C(N2CCC(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])CC2)[NH+]=C1	REAL300006852286	1	49	0.0	-70.54	374.67	9.22	-61.32
C[N@H+](CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300006852287	1	43	0.0	-62.05	341.66	9.95	-52.10
C[N@@H+](CC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300006852287	1	43	0.0	-62.45	341.71	9.95	-52.50
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C=C2)CC1	REAL300006852291	0	55	0.0	-79.63	407.46	10.01	-69.62
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006852306	1	38	0.0	-81.71	319.61	7.71	-74.00
C[NH+](C)CC1=CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=NO1	REAL300006852330	1	39	0.0	-80.01	321.67	7.83	-72.18
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006852334	0	50	0.0	-66.70	385.52	11.46	-55.24
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006852334	1	50	0.0	-73.30	385.97	11.29	-62.01
CC(C)[N@@H+]1CCCC1C(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006852352	0	43	0.0	-57.12	321.46	8.29	-48.83
CC(C)[N@H+]1CCCC1C(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300006852352	1	43	0.0	-57.35	306.86	8.42	-48.93
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300006852359	0	51	0.0	-81.13	406.62	10.92	-70.21
C[NH+]1CCC(OCC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006852372	0	44	0.0	-76.41	345.02	8.34	-68.07
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006852378	0	47	0.0	-76.86	367.13	10.12	-66.74
CCC[N@@H+]1CCCC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006852524	0	46	0.0	-56.12	337.98	9.20	-46.92
CCC[N@H+]1CCCC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006852524	1	46	0.0	-62.16	338.70	9.35	-52.81
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006852552	1	44	0.0	-59.13	339.11	5.56	-53.57
CC(C)[N@@H+]1CCCC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006852737	0	46	0.0	-70.98	344.65	9.11	-61.87
CC(C)[N@H+]1CCCC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006852737	1	46	0.0	-55.53	334.22	9.28	-46.25
C[N@@H+]1CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300006852738	0	40	0.0	-66.73	326.45	8.00	-58.73
C[N@H+]1CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300006852738	1	40	0.0	-68.84	313.25	7.69	-61.15
CC1=C(C)[NH+]=C(CCC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])N1	REAL300006852761	1	41	0.0	-59.92	335.23	7.73	-52.19
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=C1	REAL300006853157	0	46	0.0	-69.45	351.48	9.36	-60.09
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300006853165	0	47	0.0	-85.64	369.71	9.34	-76.30
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006853258	0	53	0.0	-69.99	404.70	12.33	-57.66
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C=C2)CCO1	REAL300006853260	1	51	0.0	-82.41	386.77	9.81	-72.60
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C=C2)CCO1	REAL300006853260	1	51	0.0	-55.55	377.08	8.71	-46.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300006853290	0	46	0.0	-54.66	332.09	8.80	-45.86
CC1=[NH+]C=C2C=CC(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])=CN12	REAL300006853294	0	38	0.0	-42.05	302.58	8.30	-33.75
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006853344	0	49	0.0	-54.00	353.88	9.90	-44.10
CC(C)C[N@H+]1CCCC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006853344	1	49	0.0	-54.05	353.87	9.90	-44.15
CC[N@@H+]1CCCC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006853345	0	43	0.0	-57.43	315.81	8.57	-48.86
CC[N@H+]1CCCC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300006853345	1	43	0.0	-64.89	322.86	8.41	-56.48
C[NH+](C)CC1=CC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])O1	REAL300006853351	1	40	0.0	-81.83	326.00	8.34	-73.49
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006853359	1	42	0.0	-59.75	319.92	8.76	-50.99
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006853359	1	42	0.0	-70.28	310.84	8.51	-61.77
CN1C=CN=C1C1CCCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006853429	0	50	0.0	-49.73	361.66	9.00	-40.73
CN1C=CN=C1C1CCCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006853429	1	50	0.0	-48.77	368.37	8.98	-39.79
CC(C)(C)C1=CC=C(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2)C=C1	REAL300006853534	0	59	0.0	-47.94	430.16	11.64	-36.30
CC(C)(C)C1=CC=C(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2)C=C1	REAL300006853534	1	59	0.0	-45.11	423.34	11.09	-34.02
COC1=CC=C(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2C)C=C1F	REAL300006853650	0	54	0.0	-54.94	404.43	10.24	-44.70
COC1=CC=C(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2C)C=C1F	REAL300006853650	1	54	0.0	-53.63	413.89	10.41	-43.22
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3(CCC3)C(F)(CO)C2)C1	REAL300006853766	0	48	0.0	-49.52	352.41	5.65	-43.87
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CCC3)C(F)(CO)C2)C1	REAL300006853766	1	48	0.0	-45.76	351.28	5.21	-40.55
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OCC2CCCCC2)C1	REAL300006853875	1	57	0.0	-46.37	417.57	11.06	-35.31
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OCC2CCCCC2)C1	REAL300006853875	1	57	0.0	-45.23	416.74	10.62	-34.61
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C2)S1	REAL300006854925	0	54	0.0	-89.83	416.48	12.80	-77.03
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C2)S1	REAL300006855475	0	51	0.0	-65.64	396.41	11.96	-53.68
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C2)S1	REAL300006855475	1	51	0.0	-55.65	396.65	11.94	-43.71
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)S1	REAL300006856291	0	48	0.0	-84.50	370.49	10.68	-73.82
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)S1	REAL300006856316	0	45	0.0	-51.03	347.87	9.70	-41.33
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@H+]3C3CC3)C2)S1	REAL300006856316	1	45	0.0	-75.88	352.17	9.97	-65.91
CC1=[NH+]C=C2CCC(C(=O)N3CCCC4=C(C=C(C(=O)[O-])S4)C3)CN21	REAL300006856322	1	46	0.0	-76.97	364.46	10.34	-66.63
O=C([O-])C1=CC2=C(CCCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C2)S1	REAL300006856323	0	54	0.0	-84.62	422.57	12.89	-71.73
C[N@@H+]1CCCCC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856401	0	44	0.0	-66.97	332.58	9.15	-57.82
C[N@H+]1CCCCC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856401	1	44	0.0	-70.88	339.50	9.35	-61.53
CC(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)N1CC[NH+](C)CC1	REAL300006856402	1	49	0.0	-78.76	374.84	7.72	-71.04
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856442	0	44	0.0	-71.00	339.50	9.36	-61.64
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856442	1	44	0.0	-69.56	332.44	9.11	-60.45
C[NH+]1CCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006856525	0	44	0.0	-85.25	340.29	9.28	-75.97
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)S1	REAL300006856555	0	39	0.0	-72.95	324.36	10.80	-62.15
C[NH+](C)CC1(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CCCCC1	REAL300006856589	0	53	0.0	-43.31	351.08	9.89	-33.42
C[N@H+](CCC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1CCCCC1	REAL300006856594	0	53	0.0	-63.69	398.40	11.47	-52.22
C[N@@H+](CCC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1CCCCC1	REAL300006856594	1	53	0.0	-63.64	398.45	11.47	-52.17
C[N@@H+]1CCCC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856610	0	41	0.0	-73.82	325.11	8.74	-65.08
C[N@H+]1CCCC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856610	1	41	0.0	-77.22	324.69	8.71	-68.51
C[NH+]1CCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006856665	0	44	0.0	-85.25	340.29	9.28	-75.97
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C2)S1	REAL300006856669	0	47	0.0	-67.75	379.76	9.88	-57.87
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C2)S1	REAL300006856688	0	54	0.0	-57.63	390.91	11.35	-46.28
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCCC[N@H+]3C3CCCC3)C2)S1	REAL300006856688	1	54	0.0	-62.33	389.83	11.39	-50.94
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C2)S1	REAL300006856689	0	55	0.0	-89.15	407.70	9.89	-79.26
CC1=[NH+]C=CN1CCCC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856724	1	45	0.0	-65.57	370.94	10.79	-54.78
O=C([O-])C1=CC2=C(CCCN(C(=O)CCCC[NH+]3CCOCC3)C2)S1	REAL300006856725	1	51	0.0	-69.47	398.29	9.50	-59.97
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856730	0	41	0.0	-55.25	318.88	8.38	-46.87
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856730	1	41	0.0	-60.54	322.41	8.71	-51.83
C[NH+](C)C1(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006856739	0	41	0.0	-67.16	314.79	8.10	-59.06
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C2)S1	REAL300006856782	0	51	0.0	-84.24	403.30	12.25	-71.99
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C2)S1	REAL300006856782	1	51	0.0	-66.95	403.28	12.27	-54.68
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CC[NH+](C4CCSC4)CC3)C2)S1	REAL300006856783	0	52	0.0	-87.72	395.52	11.26	-76.46
O=C([O-])C1=CC2=C(CCCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)S1	REAL300006856806	0	55	0.0	-64.46	396.74	9.75	-54.71
CCC(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[NH+](CC)CC	REAL300006856810	0	49	0.0	-55.38	360.79	9.95	-45.43
CC(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300006856812	0	50	0.0	-76.91	392.99	11.76	-65.15
CC(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006856812	1	50	0.0	-60.78	392.89	11.80	-48.98
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C=N1	REAL300006856841	0	46	0.0	-72.30	367.72	9.19	-63.11
CCC[NH+](CCC)CCCC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856846	0	55	0.0	-65.82	418.07	11.80	-54.02
CC[N@H+](C)C(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1=CC=CC=C1	REAL300006856847	0	50	0.0	-54.42	386.81	11.74	-42.68
CC[N@@H+](C)C(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1=CC=CC=C1	REAL300006856847	1	50	0.0	-54.01	389.14	11.74	-42.27
C[N@@H+]1CCOC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006856849	1	42	0.0	-99.33	333.95	8.11	-91.22
C[N@H+]1CCOC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006856849	1	42	0.0	-91.66	330.33	7.99	-83.67
CC[NH+](CC)C(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1=CC=CC=C1	REAL300006856851	0	53	0.0	-66.64	390.03	12.19	-54.45
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856860	1	45	0.0	-61.53	365.72	10.58	-50.95
C[NH+](C)C(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1=CC=C(Cl)C=C1	REAL300006856865	1	47	0.0	-76.41	388.34	11.65	-64.76
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C2)S1	REAL300006856878	0	51	0.0	-70.97	396.87	11.92	-59.05
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C2)S1	REAL300006856885	0	54	0.0	-74.34	413.18	12.58	-61.76
C[NH+](C)CC1(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006856889	0	44	0.0	-50.53	341.42	9.14	-41.39
C[NH+](C)CCCCC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856897	0	46	0.0	-68.53	365.40	10.02	-58.51
CC(C)C(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[NH+](C)C	REAL300006856906	0	46	0.0	-57.64	343.85	9.62	-48.02
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C2)S1	REAL300006856916	0	54	0.0	-53.33	414.93	12.85	-40.48
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C2)S1	REAL300006856916	1	54	0.0	-53.47	414.52	12.86	-40.61
CC1=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300006856918	1	45	0.0	-80.42	364.93	9.12	-71.30
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C2)S1	REAL300006856926	0	54	0.0	-69.28	413.62	12.63	-56.65
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C2)S1	REAL300006856938	1	47	0.0	-72.83	380.07	10.37	-62.46
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C=C1	REAL300006856939	0	50	0.0	-70.28	394.22	11.57	-58.71
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856950	1	43	0.0	-57.46	352.51	8.48	-48.98
CCC[N@H+](C)CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856960	0	43	0.0	-63.84	339.25	9.27	-54.57
CCC[N@@H+](C)CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006856960	1	43	0.0	-64.02	339.25	9.26	-54.76
C[N@H+](CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1CCC1	REAL300006856982	0	44	0.0	-63.06	346.05	9.81	-53.25
C[N@@H+](CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1CCC1	REAL300006856982	1	44	0.0	-63.17	346.21	9.82	-53.35
CC(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[NH+]1CCSCC1	REAL300006857006	1	45	0.0	-76.82	356.66	9.76	-67.06
C[N@H+](CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)CC(C)(C)C	REAL300006857010	0	49	0.0	-63.46	367.79	10.24	-53.22
C[N@@H+](CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)CC(C)(C)C	REAL300006857010	1	49	0.0	-62.05	369.73	10.37	-51.68
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857012	0	50	0.0	-68.43	399.16	12.28	-56.15
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857012	1	50	0.0	-68.29	399.16	12.29	-56.00
COCCOCC[N@H+](C)CCC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857013	0	54	0.0	-67.56	428.19	8.52	-59.04
COCCOCC[N@@H+](C)CCC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857013	1	54	0.0	-68.96	428.20	8.54	-60.42
CC[C@@H](C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[NH+](C)C	REAL300006857017	0	43	0.0	-76.38	329.89	8.92	-67.46
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006857019	0	48	0.0	-66.00	367.47	8.33	-57.67
C[N@H+]1CCCC(O)(CC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006857019	1	48	0.0	-67.67	370.12	8.22	-59.45
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)C2)S1	REAL300006857040	1	53	0.0	-76.45	411.13	11.14	-65.31
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)C2)S1	REAL300006857040	1	53	0.0	-85.31	398.60	10.61	-74.70
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)C2)S1	REAL300006857041	1	53	0.0	-71.26	404.03	10.84	-60.42
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)C2)S1	REAL300006857041	1	53	0.0	-67.86	404.18	10.94	-56.92
CCCCCC[N@H+](C)CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857043	0	52	0.0	-64.86	403.68	11.58	-53.28
CCCCCC[N@@H+](C)CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857043	1	52	0.0	-64.98	403.75	11.59	-53.39
O=C([O-])C1=CC2=C(CCCN(C(=O)C34CCC[NH+]3CCC4)C2)S1	REAL300006857053	0	45	0.0	-82.70	330.46	9.50	-73.20
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)S1	REAL300006857061	1	39	0.0	-89.81	334.47	11.23	-78.58
C[N@H+](CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1CCSC1	REAL300006857073	0	45	0.0	-67.47	359.37	10.09	-57.38
C[N@@H+](CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1CCSC1	REAL300006857073	1	45	0.0	-65.96	359.36	10.09	-55.87
CC(C)[NH+]1CCN(CCC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006857090	0	55	0.0	-68.10	415.30	9.06	-59.04
CC(C)N1CC[NH+](CCC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006857090	1	55	0.0	-65.07	411.88	8.87	-56.20
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006857091	0	58	0.0	-69.55	436.87	9.87	-59.68
CC(C)N1CC[NH+](CCCC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006857091	1	58	0.0	-66.11	433.69	9.70	-56.41
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)S1	REAL300006857092	0	48	0.0	-52.65	348.98	9.90	-42.75
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCCC4CCC[N@H+]43)C2)S1	REAL300006857092	1	48	0.0	-77.97	350.71	9.77	-68.20
C[NH+](C)CCN1C=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C=N1	REAL300006857094	0	47	0.0	-74.60	372.01	8.64	-65.96
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C2)S1	REAL300006857105	0	53	0.0	-82.31	406.78	11.30	-71.01
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C2)S1	REAL300006857105	1	53	0.0	-82.79	414.80	11.05	-71.74
CC(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006857110	1	51	0.0	-81.74	392.15	12.06	-69.68
CC(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006857110	1	51	0.0	-58.20	394.68	12.08	-46.12
CCCC(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[NH+](C)C	REAL300006857129	0	46	0.0	-59.02	351.17	9.66	-49.36
O=C([O-])C1=CC2=C(CCCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C2)S1	REAL300006857130	0	54	0.0	-67.60	425.00	13.11	-54.49
O=C([O-])C1=CC2=C(CCCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C2)S1	REAL300006857130	1	54	0.0	-67.85	425.47	13.13	-54.72
C[NH+](C)CCN1C=CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)=N1	REAL300006857145	0	47	0.0	-60.83	368.46	9.35	-51.48
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857146	0	47	0.0	-62.12	383.42	9.13	-52.99
C[C@@H]1[C@H](C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC[N@@H+]1C	REAL300006857149	0	44	0.0	-71.76	335.91	9.27	-62.49
C[C@@H]1[C@H](C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC[N@H+]1C	REAL300006857149	1	44	0.0	-56.62	335.90	9.20	-47.42
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857151	1	48	0.0	-59.93	385.96	11.12	-48.81
CC[C@@H]1[C@@H](C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC[N@@H+]1C	REAL300006857154	0	47	0.0	-84.22	354.77	9.38	-74.84
CC[C@@H]1[C@@H](C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC[N@H+]1C	REAL300006857154	1	47	0.0	-83.75	364.78	10.07	-73.68
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)=NN1	REAL300006857156	1	48	0.0	-67.06	378.97	9.35	-57.71
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)=NN1	REAL300006857156	1	48	0.0	-73.14	371.94	8.81	-64.33
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857157	1	43	0.0	-62.74	345.36	9.60	-53.14
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857157	1	43	0.0	-59.73	348.92	9.97	-49.76
CC1C[N@H+](C)CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)O1	REAL300006857163	1	45	0.0	-98.98	348.46	8.86	-90.12
CC1C[N@@H+](C)CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)O1	REAL300006857163	1	45	0.0	-98.62	355.25	8.86	-89.76
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C2)S1	REAL300006857170	1	50	0.0	-73.55	399.65	10.80	-62.75
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C2)S1	REAL300006857170	1	50	0.0	-85.41	398.49	10.55	-74.86
O=C([O-])C1=CC2=C(CCCN(C(=O)C[NH+]3CCCC3)C2)S1	REAL300006857173	0	41	0.0	-62.51	324.18	8.95	-53.56
CC1=[NH+]C=CN1CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857175	1	39	0.0	-64.03	328.42	9.44	-54.59
CC(C[NH+]1CCOCC1)C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857177	0	48	0.0	-80.93	370.33	8.39	-72.54
CC1CC[NH+](CC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006857196	0	47	0.0	-63.28	362.60	10.34	-52.94
CC[N@@H+]1CCOC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006857207	1	45	0.0	-72.39	340.58	8.47	-63.92
CC[N@H+]1CCOC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006857207	1	45	0.0	-87.08	344.09	8.58	-78.50
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C2)S1	REAL300006857244	0	54	0.0	-82.04	405.22	11.73	-70.31
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C2)S1	REAL300006857244	1	54	0.0	-83.66	403.42	11.66	-72.00
C[N@@H+]1CCCC1CCC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857250	0	47	0.0	-68.47	367.37	10.39	-58.08
C[N@H+]1CCCC1CCC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857250	1	47	0.0	-64.79	361.91	9.90	-54.89
O=C([O-])C1=CC2=C(CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)S1	REAL300006857262	0	48	0.0	-82.93	347.14	9.49	-73.44
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857264	0	45	0.0	-80.18	337.59	5.71	-74.47
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857264	1	45	0.0	-75.20	338.43	5.50	-69.70
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)S1	REAL300006857265	0	48	0.0	-74.26	366.95	10.63	-63.63
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC4CCCC[N@H+]43)C2)S1	REAL300006857265	1	48	0.0	-74.28	366.51	10.66	-63.62
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857272	0	51	0.0	-80.26	371.22	8.35	-71.91
CC[NH+](CC)CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857288	0	43	0.0	-61.53	331.61	8.93	-52.60
CC(C)[NH+]1CCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006857290	0	50	0.0	-85.61	374.02	10.32	-75.29
O=C([O-])C1=CC2=C(CCCN(C(=O)C34CC[NH+](CC3)C4)C2)S1	REAL300006857371	0	42	0.0	-85.02	322.02	8.01	-77.01
CCC(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[NH+](C)C	REAL300006857374	0	43	0.0	-59.04	329.69	8.89	-50.15
O=C([O-])C1=CC2=C(CCCN(C(=O)C34CC[N@H+](C3)CCC4)C2)S1	REAL300006857382	0	45	0.0	-93.01	330.07	8.64	-84.37
O=C([O-])C1=CC2=C(CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)S1	REAL300006857382	1	45	0.0	-82.17	330.95	8.61	-73.56
CC1CCC(C)[NH+]1CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857426	0	47	0.0	-60.56	357.47	9.89	-50.67
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)=C1	REAL300006857427	0	47	0.0	-77.51	371.65	10.73	-66.78
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C2)S1	REAL300006857428	0	54	0.0	-77.71	419.83	12.90	-64.81
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C2)S1	REAL300006857428	1	54	0.0	-82.55	416.98	12.82	-69.73
C[NH+](C)C1(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CCC1	REAL300006857464	0	44	0.0	-73.72	319.45	8.80	-64.92
C#CC[NH+]1CCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006857491	0	46	0.0	-92.23	368.53	10.59	-81.64
CCC[N@@H+]1CCCCC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857493	0	50	0.0	-74.23	379.30	10.79	-63.44
CCC[N@H+]1CCCCC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857493	1	50	0.0	-64.13	371.84	10.53	-53.60
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857494	0	47	0.0	-77.47	368.91	10.70	-66.77
CC[NH+]1CCN(CCC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006857496	0	52	0.0	-69.81	398.06	8.51	-61.30
CCN1CC[NH+](CCC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006857496	1	52	0.0	-65.40	398.62	8.55	-56.85
CC(C)[N@H+](C)CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857497	0	43	0.0	-62.55	334.37	9.03	-53.52
CC(C)[N@@H+](C)CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857497	1	43	0.0	-62.59	334.45	9.04	-53.55
CC(C)C(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[NH+]1CCCCC1	REAL300006857498	0	53	0.0	-64.67	383.96	10.96	-53.71
C[NH+](C)C(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1=CC=CC=C1	REAL300006857499	1	47	0.0	-55.89	371.39	11.10	-44.79
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857507	1	48	0.0	-58.55	385.07	11.04	-47.51
C[NH+](C)CC1=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)OC2=CC=CC=C21	REAL300006857509	0	50	0.0	-69.66	391.98	11.80	-57.86
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)S1	REAL300006857515	0	51	0.0	-63.66	374.49	11.52	-52.14
O=C([O-])C1=CC2=C(CCCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)S1	REAL300006857515	1	51	0.0	-60.15	381.59	11.23	-48.92
CC[N@H+](CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1CC1	REAL300006857517	0	44	0.0	-61.06	348.61	9.87	-51.19
CC[N@@H+](CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)C1CC1	REAL300006857517	1	44	0.0	-61.37	346.01	9.85	-51.52
CC(C)C(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[NH+]1CC(C)OC(C)C1	REAL300006857543	1	57	0.0	-65.95	402.53	9.65	-56.30
CC(C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[NH+]1CCCCCC1	REAL300006857544	0	50	0.0	-73.05	366.79	10.24	-62.81
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857547	0	41	0.0	-57.55	323.74	8.69	-48.86
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857547	1	41	0.0	-55.20	318.79	8.38	-46.82
CC(C)(C)[NH2+]CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857630	0	43	0.0	-63.32	338.93	7.54	-55.78
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)O1	REAL300006857632	0	50	0.0	-65.36	393.84	10.96	-54.40
O=C([O-])C1=CC2=C(CCCN(C(=O)CCCC[NH+]3CCCC3)C2)S1	REAL300006857633	0	50	0.0	-67.13	391.35	11.20	-55.93
CC1=CC=C(N2CCC(C(=O)N3CCCC4=C(C=C(C(=O)[O-])S4)C3)CC2)[NH+]=C1	REAL300006857635	1	53	0.0	-85.75	410.63	10.71	-75.04
C[N@H+](CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)CC1=CC=CC=C1	REAL300006857636	1	47	0.0	-66.62	376.61	11.42	-55.20
C[N@@H+](CC(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)CC1=CC=CC=C1	REAL300006857636	1	47	0.0	-66.77	376.69	11.44	-55.33
CC(C)[C@@H](C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1)[NH+](C)C	REAL300006857646	0	46	0.0	-55.57	343.45	9.38	-46.19
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)S1	REAL300006857664	1	42	0.0	-77.94	347.00	8.59	-69.35
C[NH+](C)CC1=CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)=NO1	REAL300006857691	1	43	0.0	-73.30	354.70	9.23	-64.07
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857695	0	54	0.0	-93.15	423.54	12.86	-80.29
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857695	1	54	0.0	-65.32	420.80	13.05	-52.27
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857708	0	47	0.0	-53.02	344.35	9.70	-43.32
CC(C)[N@H+]1CCCC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857708	1	47	0.0	-55.13	345.28	9.58	-45.55
C[NH+]1CCC(OCC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006857731	0	48	0.0	-73.68	379.95	10.02	-63.66
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C2)S1	REAL300006857735	0	51	0.0	-52.81	391.90	11.44	-41.37
CCC[N@@H+]1CCCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006857916	0	50	0.0	-72.70	374.45	10.89	-61.81
CCC[N@H+]1CCCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006857916	1	50	0.0	-78.27	382.45	10.73	-67.54
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857946	0	50	0.0	-63.43	378.13	10.46	-52.97
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006857946	1	50	0.0	-58.80	382.49	10.81	-47.99
O=C([O-])C1=CC2=C(CCCN(C(=O)C[NH+]3CCC(CO)CC3)C2)S1	REAL300006857947	0	48	0.0	-65.34	373.44	7.03	-58.31
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858166	0	50	0.0	-71.04	366.73	10.58	-60.46
CC(C)[N@H+]1CCCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858166	1	50	0.0	-72.38	369.68	10.68	-61.70
C[N@@H+]1CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C(C(F)(F)F)C1	REAL300006858167	0	44	0.0	-55.14	349.95	8.92	-46.22
C[N@H+]1CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C(C(F)(F)F)C1	REAL300006858167	1	44	0.0	-73.98	342.55	9.54	-64.44
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)N1	REAL300006858192	1	45	0.0	-59.35	370.26	9.19	-50.16
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)=C1	REAL300006858667	0	50	0.0	-79.94	394.10	11.56	-68.38
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C=C1	REAL300006858674	0	51	0.0	-68.97	401.92	10.56	-58.41
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858809	0	44	0.0	-58.81	343.69	9.37	-49.44
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)CC1	REAL300006858813	0	50	0.0	-77.09	368.85	10.35	-66.74
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC4=C(C=C(C(=O)[O-])S4)C3)=CN21	REAL300006858817	0	42	0.0	-65.60	355.36	10.94	-54.66
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858878	0	53	0.0	-72.80	388.82	11.59	-61.21
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858878	1	53	0.0	-79.59	399.99	11.41	-68.18
CC[N@@H+]1CCCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858879	0	47	0.0	-70.21	349.19	10.02	-60.19
CC[N@H+]1CCCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858879	1	47	0.0	-72.28	353.04	10.16	-62.12
C[N@@H+]1CCCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858884	0	44	0.0	-71.21	332.41	9.42	-61.79
C[N@H+]1CCCC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858884	1	44	0.0	-85.50	341.22	9.26	-76.24
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)O1	REAL300006858886	1	44	0.0	-64.23	355.59	9.62	-54.61
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858892	0	53	0.0	-85.10	380.09	10.42	-74.68
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C1	REAL300006858892	1	53	0.0	-85.97	379.94	10.41	-75.56
O=C([O-])C1=CC2=C(CCCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)S1	REAL300006858895	1	46	0.0	-64.88	349.60	9.78	-55.10
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1(C2CCSCC2)CC1	REAL300006858958	1	48	0.0	-48.42	358.87	8.75	-39.67
CC(C)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300006859059	1	46	0.0	-46.41	348.95	8.92	-37.49
CC(C)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300006859059	1	46	0.0	-45.76	350.61	9.36	-36.40
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C1	REAL300006859181	0	50	0.0	-45.59	375.27	8.88	-36.71
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C1	REAL300006859181	1	50	0.0	-47.12	382.43	9.27	-37.85
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2CCC3=CC=CC=C3C2)C1	REAL300006859311	0	53	0.0	-46.80	389.39	10.03	-36.77
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2CCC3=CC=CC=C3C2)C1	REAL300006859311	1	53	0.0	-49.82	391.26	10.47	-39.35
CC1=CC=C(C2CCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300006859444	0	56	0.0	-49.08	411.54	11.24	-37.84
CC1=CC=C(C2CCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300006859444	1	56	0.0	-45.89	410.34	10.76	-35.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC23COC(C=CC2)C3)C1	REAL300006859540	0	46	0.0	-50.77	343.19	6.21	-44.56
O=C([O-])C1CCC[N@@H+](CC(=O)NCC23COC(C=CC2)C3)C1	REAL300006859540	1	46	0.0	-49.90	336.98	6.21	-43.69
O=C([O-])C1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC2(CC(F)(F)C2)C1	REAL300006860463	0	54	0.0	-82.66	420.51	12.00	-70.66
O=C([O-])C1(NC(=O)C2CC[NH+](C3CC3)CC2)CC2(CC(F)(F)C2)C1	REAL300006861619	0	48	0.0	-75.71	373.36	9.84	-65.87
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CC4(CC(F)(F)C4)C3)CN12	REAL300006861644	1	46	0.0	-65.73	367.74	9.52	-56.21
CC(C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)N1CC[NH+](C)CC1	REAL300006861709	1	49	0.0	-69.05	370.35	6.48	-62.57
C[N@@H+]1CCCC[C@H]1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006861741	0	44	0.0	-55.21	340.68	8.29	-46.92
C[N@H+]1CCCC[C@H]1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006861741	1	44	0.0	-59.77	332.25	7.97	-51.80
C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006861808	0	44	0.0	-79.27	343.95	8.44	-70.83
O=C([O-])C1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CC2(CC(F)(F)C2)C1	REAL300006861834	0	39	0.0	-73.28	329.80	10.28	-63.00
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CCCCC1	REAL300006861863	0	53	0.0	-57.53	387.08	9.96	-47.57
C[N@H+](CCC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CCCCC1	REAL300006861867	0	53	0.0	-69.32	398.02	10.34	-58.98
C[N@@H+](CCC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CCCCC1	REAL300006861867	1	53	0.0	-69.89	398.03	10.34	-59.55
C[N@@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006861879	0	41	0.0	-66.56	319.45	7.22	-59.34
C[N@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006861879	1	41	0.0	-66.70	319.69	7.19	-59.51
C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006861925	0	44	0.0	-79.27	343.95	8.44	-70.83
O=C([O-])C1(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC2(CC(F)(F)C2)C1	REAL300006861928	0	47	0.0	-88.25	388.71	9.40	-78.85
O=C([O-])C1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CC2(CC(F)(F)C2)C1	REAL300006861939	0	55	0.0	-83.16	407.04	8.79	-74.37
CC1=[NH+]C=CN1CCCC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006861970	1	45	0.0	-70.19	370.56	9.64	-60.55
O=C([O-])C1(NC(=O)CCCC[NH+]2CCOCC2)CC2(CC(F)(F)C2)C1	REAL300006861971	1	51	0.0	-77.32	397.88	8.33	-68.99
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=C1)C(C)C	REAL300006861973	0	56	0.0	-84.89	426.06	11.88	-73.01
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=C1)C(C)C	REAL300006861973	1	56	0.0	-85.56	417.76	11.62	-73.94
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006861976	0	41	0.0	-66.45	319.32	7.21	-59.24
C[N@H+]1CCC[C@@H]1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006861976	1	41	0.0	-61.60	324.35	7.81	-53.79
O=C([O-])C1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC2(CC(F)(F)C2)C1	REAL300006862013	0	51	0.0	-69.01	403.86	11.22	-57.79
O=C([O-])C1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC2(CC(F)(F)C2)C1	REAL300006862013	1	51	0.0	-70.08	402.88	11.12	-58.96
O=C([O-])C1(NC(=O)C2CC[NH+](C3CCSC3)CC2)CC2(CC(F)(F)C2)C1	REAL300006862014	0	52	0.0	-77.93	399.28	10.42	-67.51
O=C([O-])C1(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC2(CC(F)(F)C2)C1	REAL300006862038	0	55	0.0	-70.31	396.35	8.37	-61.94
CCC(C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[NH+](CC)CC	REAL300006862042	0	49	0.0	-56.78	365.75	8.87	-47.91
CC(C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300006862044	0	50	0.0	-61.43	393.72	10.70	-50.73
CC(C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006862044	1	50	0.0	-61.36	392.78	10.66	-50.70
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=N1	REAL300006862064	0	46	0.0	-82.58	373.56	8.40	-74.18
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862068	0	55	0.0	-71.25	422.20	10.96	-60.29
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862077	1	45	0.0	-59.91	365.05	9.45	-50.46
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC2(CC(F)(F)C2)C1	REAL300006862092	0	51	0.0	-88.00	402.44	11.41	-76.59
O=C([O-])C1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC2(CC(F)(F)C2)C1	REAL300006862097	0	54	0.0	-75.80	419.33	12.10	-63.70
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862101	0	44	0.0	-61.36	350.57	8.63	-52.73
C[NH+](C)CCCCC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862109	0	46	0.0	-76.59	365.00	8.88	-67.71
CC1=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300006862130	1	45	0.0	-81.86	373.72	8.57	-73.29
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC2(CC(F)(F)C2)C1	REAL300006862133	0	54	0.0	-88.12	419.19	12.12	-76.00
O=C([O-])C1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC2(CC(F)(F)C2)C1	REAL300006862145	1	47	0.0	-78.74	384.12	8.96	-69.78
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=C1	REAL300006862146	0	50	0.0	-91.56	400.00	11.10	-80.46
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862151	1	43	0.0	-61.99	348.90	7.73	-54.26
O=C([O-])C1(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC2(CC(F)(F)C2)C1	REAL300006862152	1	52	0.0	-85.45	413.70	10.40	-75.05
O=C([O-])C1(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC2(CC(F)(F)C2)C1	REAL300006862152	1	52	0.0	-78.27	413.55	10.40	-67.87
CCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862159	0	43	0.0	-61.97	338.61	8.08	-53.89
CCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862159	1	43	0.0	-61.91	338.60	8.09	-53.82
C[N@H+](CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CCC1	REAL300006862173	0	44	0.0	-59.95	345.71	8.66	-51.29
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CCC1	REAL300006862173	1	44	0.0	-59.00	345.50	8.65	-50.35
CC(C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[NH+]1CCSCC1	REAL300006862195	1	45	0.0	-63.53	358.67	8.72	-54.81
C[N@H+](CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CC(C)(C)C	REAL300006862201	0	49	0.0	-61.92	368.99	9.16	-52.76
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CC(C)(C)C	REAL300006862201	1	49	0.0	-61.24	369.15	9.22	-52.02
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862203	0	50	0.0	-63.97	398.51	11.11	-52.86
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862203	1	50	0.0	-64.11	398.51	11.11	-53.00
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862204	0	54	0.0	-68.28	427.74	7.37	-60.91
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862204	1	54	0.0	-71.38	427.80	7.37	-64.01
CC[C@@H](C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[NH+](C)C	REAL300006862207	0	43	0.0	-60.48	332.25	7.84	-52.64
C[N@@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006862209	0	48	0.0	-64.75	360.26	6.45	-58.30
C[N@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006862209	1	48	0.0	-64.27	369.66	6.65	-57.62
CCCCCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862220	0	52	0.0	-62.86	403.10	10.42	-52.44
CCCCCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862220	1	52	0.0	-62.82	403.10	10.43	-52.39
O=C([O-])C1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CC2(CC(F)(F)C2)C1	REAL300006862234	1	39	0.0	-82.14	330.05	10.29	-71.85
C[N@H+](CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CCSC1	REAL300006862244	0	45	0.0	-67.08	358.84	8.90	-58.18
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CCSC1	REAL300006862244	1	45	0.0	-64.63	358.66	8.91	-55.72
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862258	0	55	0.0	-74.52	409.62	7.55	-66.97
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862258	1	55	0.0	-68.08	411.45	7.71	-60.37
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862259	0	58	0.0	-72.73	436.46	8.72	-64.01
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862259	1	58	0.0	-71.90	433.28	8.56	-63.34
O=C([O-])C1(NC(=O)C2CCCC3CCC[N@@H+]32)CC2(CC(F)(F)C2)C1	REAL300006862260	0	48	0.0	-56.82	364.00	9.53	-47.29
O=C([O-])C1(NC(=O)C2CCCC3CCC[N@H+]32)CC2(CC(F)(F)C2)C1	REAL300006862260	1	48	0.0	-55.79	363.81	9.54	-46.25
C[NH+](C)CCN1C=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=N1	REAL300006862262	0	47	0.0	-83.10	383.92	8.30	-74.80
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC2(CC(F)(F)C2)C1	REAL300006862267	0	53	0.0	-70.29	415.45	10.20	-60.09
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC2(CC(F)(F)C2)C1	REAL300006862267	1	53	0.0	-70.79	415.61	10.18	-60.61
CC(C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006862272	1	51	0.0	-62.79	394.41	11.23	-51.56
CC(C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006862272	1	51	0.0	-63.32	394.53	11.23	-52.09
O=C([O-])C1(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC2(CC(F)(F)C2)C1	REAL300006862287	0	54	0.0	-75.92	422.38	11.89	-64.03
O=C([O-])C1(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC2(CC(F)(F)C2)C1	REAL300006862287	1	54	0.0	-76.24	424.15	11.93	-64.31
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300006862300	0	47	0.0	-93.11	384.06	8.33	-84.78
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862301	0	47	0.0	-58.91	379.43	8.15	-50.76
C[C@@H]1[C@H](C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC[N@@H+]1C	REAL300006862303	0	44	0.0	-73.65	334.74	7.85	-65.80
C[C@@H]1[C@H](C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC[N@H+]1C	REAL300006862303	1	44	0.0	-66.62	336.83	8.03	-58.59
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862304	1	48	0.0	-64.43	385.56	9.87	-54.56
CC[C@@H]1[C@@H](C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC[N@@H+]1C	REAL300006862307	0	47	0.0	-70.42	356.30	8.43	-61.99
CC[C@@H]1[C@@H](C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC[N@H+]1C	REAL300006862307	1	47	0.0	-65.78	360.28	8.98	-56.80
CC1C[N@H+](C)CC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)O1	REAL300006862314	1	45	0.0	-59.83	350.19	7.36	-52.47
CC1C[N@@H+](C)CC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)O1	REAL300006862314	1	45	0.0	-59.54	350.25	7.35	-52.19
O=C([O-])C1(NC(=O)C[NH+]2CCCC2)CC2(CC(F)(F)C2)C1	REAL300006862320	0	41	0.0	-62.14	325.09	7.83	-54.31
CC1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862322	1	39	0.0	-61.86	327.77	8.37	-53.49
CC(C[NH+]1CCOCC1)C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862324	1	48	0.0	-69.10	370.94	7.49	-61.61
CC1CC[NH+](CC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862341	0	47	0.0	-62.51	362.19	9.15	-53.36
CC[N@@H+]1CCOC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006862352	1	45	0.0	-56.78	346.58	7.27	-49.51
CC[N@H+]1CCOC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006862352	1	45	0.0	-78.69	354.47	7.49	-71.20
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862381	1	54	0.0	-79.26	421.61	10.42	-68.84
O=C([O-])C1(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CC2(CC(F)(F)C2)C1	REAL300006862382	0	54	0.0	-69.51	406.17	10.65	-58.86
O=C([O-])C1(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CC2(CC(F)(F)C2)C1	REAL300006862382	1	54	0.0	-69.91	406.20	10.65	-59.26
C[N@@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862388	0	47	0.0	-72.79	363.16	9.09	-63.70
C[N@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862388	1	47	0.0	-70.40	367.85	9.11	-61.29
O=C([O-])C1(NC(=O)C2CCC3CCCC[N@@H+]32)CC2(CC(F)(F)C2)C1	REAL300006862399	0	48	0.0	-57.48	360.12	9.08	-48.40
O=C([O-])C1(NC(=O)C2CCC3CCCC[N@H+]32)CC2(CC(F)(F)C2)C1	REAL300006862399	1	48	0.0	-63.76	361.01	9.12	-54.64
CC[NH+](CC)CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862419	0	43	0.0	-60.38	331.23	7.75	-52.63
CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862421	0	50	0.0	-73.78	378.36	9.63	-64.15
O=C([O-])C1(NC(=O)C23CC[NH+](CC2)C3)CC2(CC(F)(F)C2)C1	REAL300006862487	0	42	0.0	-72.99	330.81	7.31	-65.68
CCC(C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[NH+](C)C	REAL300006862490	0	43	0.0	-56.60	329.17	7.54	-49.06
O=C([O-])C1(NC(=O)C23CC[N@H+](C2)CCC3)CC2(CC(F)(F)C2)C1	REAL300006862497	0	45	0.0	-73.20	341.39	7.95	-65.25
O=C([O-])C1(NC(=O)C23CC[N@@H+](C2)CCC3)CC2(CC(F)(F)C2)C1	REAL300006862497	1	45	0.0	-82.49	341.54	7.98	-74.51
CC1CCC(C)[NH+]1CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862535	0	47	0.0	-58.94	356.75	8.56	-50.38
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=C1	REAL300006862536	0	47	0.0	-78.49	377.81	10.26	-68.23
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC2(CC(F)(F)C2)C1	REAL300006862537	0	54	0.0	-66.45	420.50	11.97	-54.48
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC2(CC(F)(F)C2)C1	REAL300006862537	1	54	0.0	-66.64	420.43	11.97	-54.67
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862589	0	46	0.0	-78.24	369.13	9.63	-68.61
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862591	0	52	0.0	-76.19	396.81	7.27	-68.92
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862591	1	52	0.0	-68.22	398.22	7.40	-60.82
CC(C)[N@H+](C)CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862592	0	43	0.0	-60.02	333.79	7.86	-52.16
CC(C)[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862592	1	43	0.0	-59.26	333.90	7.88	-51.38
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862597	1	48	0.0	-63.77	385.03	9.90	-53.87
CC[N@H+](CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CC1	REAL300006862604	0	44	0.0	-58.78	348.21	8.70	-50.08
CC[N@@H+](CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CC1	REAL300006862604	1	44	0.0	-60.96	340.98	8.51	-52.45
CC(C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[NH+]1CCCCCC1	REAL300006862630	0	50	0.0	-57.11	368.63	9.15	-47.96
C[N@@H+]1CCC[C@H]1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862634	0	41	0.0	-60.45	325.31	7.76	-52.69
C[N@H+]1CCC[C@H]1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862634	1	41	0.0	-58.20	315.81	7.09	-51.11
CC(C)(C)[NH2+]CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862703	0	43	0.0	-60.23	338.56	6.48	-53.75
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)O1	REAL300006862705	0	50	0.0	-81.61	399.69	9.97	-71.64
O=C([O-])C1(NC(=O)CCCC[NH+]2CCCC2)CC2(CC(F)(F)C2)C1	REAL300006862706	0	50	0.0	-75.17	389.33	9.95	-65.22
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CC4(CC(F)(F)C4)C3)CC2)[NH+]=C1	REAL300006862708	1	53	0.0	-75.30	413.65	9.83	-65.47
C[N@H+](CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CC1=CC=CC=C1	REAL300006862709	1	47	0.0	-65.76	376.01	10.26	-55.50
C[N@@H+](CC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CC1=CC=CC=C1	REAL300006862709	1	47	0.0	-65.41	376.03	10.26	-55.15
O=C([O-])C1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC2(CC(F)(F)C2)C1	REAL300006862734	1	42	0.0	-80.85	358.91	8.25	-72.60
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=NO1	REAL300006862756	1	43	0.0	-80.88	357.68	7.76	-73.12
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862760	0	54	0.0	-74.91	424.20	11.82	-63.09
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862760	1	54	0.0	-76.48	422.98	11.73	-64.75
CC(C)[N@@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862773	0	47	0.0	-59.45	358.26	8.78	-50.67
CC(C)[N@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006862773	1	47	0.0	-60.05	361.31	8.93	-51.12
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006862790	0	48	0.0	-82.68	379.54	8.47	-74.21
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC2(CC(F)(F)C2)C1	REAL300006862795	0	51	0.0	-82.89	404.45	10.39	-72.50
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006862942	0	50	0.0	-58.84	376.86	9.90	-48.94
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006862942	1	50	0.0	-54.95	375.73	9.83	-45.12
O=C([O-])C1(NC(=O)C[NH+]2CCC(CO)CC2)CC2(CC(F)(F)C2)C1	REAL300006862967	1	48	0.0	-62.47	373.03	5.84	-56.63
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006863144	0	50	0.0	-59.00	372.04	9.67	-49.33
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006863144	1	50	0.0	-65.45	378.26	9.57	-55.88
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C(C(F)(F)F)C1	REAL300006863145	0	44	0.0	-69.69	337.41	8.57	-61.12
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C(C(F)(F)F)C1	REAL300006863145	1	44	0.0	-61.35	355.04	8.13	-53.22
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)N1	REAL300006863168	1	45	0.0	-64.15	369.85	8.03	-56.12
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=C1	REAL300006863553	0	50	0.0	-80.06	400.25	11.08	-68.98
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=C1	REAL300006863560	0	51	0.0	-89.18	407.42	10.05	-79.13
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006863677	0	44	0.0	-74.06	349.17	8.47	-65.59
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300006863681	0	50	0.0	-70.17	371.90	9.34	-60.83
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CC4(CC(F)(F)C4)C3)=CN12	REAL300006863685	0	42	0.0	-70.12	351.16	10.05	-60.07
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006863734	0	53	0.0	-55.29	392.96	10.54	-44.75
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006863734	1	53	0.0	-66.70	400.66	10.48	-56.22
CC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006863735	0	47	0.0	-54.13	353.98	9.11	-45.02
CC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006863735	1	47	0.0	-67.05	361.60	9.05	-58.00
C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006863740	0	44	0.0	-71.03	343.96	8.39	-62.64
C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300006863740	1	44	0.0	-69.25	343.97	8.39	-60.86
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)O1	REAL300006863742	1	44	0.0	-85.33	363.94	8.62	-76.71
O=C([O-])C1(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CC2(CC(F)(F)C2)C1	REAL300006863750	0	46	0.0	-70.42	352.24	8.96	-61.46
O=C([O-])C1(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CC2(CC(F)(F)C2)C1	REAL300006863750	1	46	0.0	-66.37	353.03	9.88	-56.49
CN1C=C(C2OC3(CNC(=O)C4CC[NH+](C5CC5)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006864750	0	56	0.0	-70.92	429.34	7.38	-63.54
CN1C=C(C2OC3(CNC(=O)C4CCC[N@@H+]4C4CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006864768	0	53	0.0	-66.59	416.06	6.63	-59.96
CN1C=C(C2OC3(CNC(=O)C4CCC[N@H+]4C4CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006864768	1	53	0.0	-62.66	412.66	6.93	-55.73
CC1=[NH+]C=C2CCC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C3=CN(C)N=C3)O4)CN21	REAL300006864772	1	54	0.0	-62.71	426.09	7.18	-55.53
CN1C=C(C2OC3(CNC(=O)C[NH+](C)C)CC2(C(=O)[O-])C3)C=N1	REAL300006864812	0	45	0.0	-70.11	359.94	4.52	-65.59
CN1C=C(C2OC3(CNC(=O)C4CCCC[N@@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006864813	0	52	0.0	-65.17	404.56	6.19	-58.98
CN1C=C(C2OC3(CNC(=O)C4CCCC[N@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006864813	1	52	0.0	-65.49	402.62	6.11	-59.38
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)N1CC[NH+](C)CC1	REAL300006864814	1	57	0.0	-71.42	431.03	4.33	-67.09
CN1C=C(C2OC3(CNC(=O)[C@@H]4CCCC[N@@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006864842	0	52	0.0	-67.47	392.74	5.94	-61.53
CN1C=C(C2OC3(CNC(=O)[C@@H]4CCCC[N@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006864842	1	52	0.0	-64.30	399.64	6.00	-58.30
CN1C=C(C2OC3(CNC(=O)C4CC[NH+](C)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006864873	0	52	0.0	-73.90	404.84	6.16	-67.74
CN1C=C(C2OC3(CNC(=O)C4=CN5C=[NH+]C=C5C=C4)CC2(C(=O)[O-])C3)C=N1	REAL300006864895	0	47	0.0	-70.14	390.00	7.97	-62.17
CN1C=C(C2OC3(CNC(=O)C4CCC[N@@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006864923	0	49	0.0	-66.11	380.18	5.12	-60.99
CN1C=C(C2OC3(CNC(=O)C4CCC[N@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006864923	1	49	0.0	-66.53	386.23	5.49	-61.04
CN1C=C(C2OC3(CNC(=O)C4CC[NH+](C)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006864958	0	52	0.0	-73.90	404.84	6.16	-67.74
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006864983	1	53	0.0	-68.90	431.23	7.41	-61.49
C[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)[NH+](C)C	REAL300006864988	0	48	0.0	-67.90	378.19	4.91	-62.99
CN1C=C(C2OC3(CNC(=O)[C@H]4CCC[N@@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006864989	0	49	0.0	-67.05	385.85	5.55	-61.50
CN1C=C(C2OC3(CNC(=O)[C@H]4CCC[N@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006864989	1	49	0.0	-70.10	377.31	4.93	-65.17
C[C@H](C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)[NH+](C)C	REAL300006864993	0	48	0.0	-66.22	377.85	4.87	-61.35
CN1C=C(C2OC3(CNC(=O)C4([NH+](C)C)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865001	0	49	0.0	-68.35	388.31	5.85	-62.50
CCC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)[NH+](CC)CC	REAL300006865055	0	57	0.0	-63.28	426.10	6.82	-56.46
CN1C=C(C2OC3(CNC(=O)C4=CC=C(C[NH+](C)C)N=C4)CC2(C(=O)[O-])C3)C=N1	REAL300006865066	0	54	0.0	-74.16	433.75	6.10	-68.06
CN1C=C(C2OC3(CNC(=O)C4C[N@H+](C)CCO4)CC2(C(=O)[O-])C3)C=N1	REAL300006865069	1	50	0.0	-75.90	397.18	4.93	-70.97
CN1C=C(C2OC3(CNC(=O)C4C[N@@H+](C)CCO4)CC2(C(=O)[O-])C3)C=N1	REAL300006865069	1	50	0.0	-69.08	388.56	4.75	-64.33
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865075	1	53	0.0	-64.75	425.57	7.25	-57.50
CN1C=C(C2OC3(CNC(=O)C4(C[NH+](C)C)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865083	0	52	0.0	-67.88	412.20	6.23	-61.65
CN1C=C(C2OC3(CNC(=O)CCCC[NH+](C)C)CC2(C(=O)[O-])C3)C=N1	REAL300006865088	0	54	0.0	-73.81	425.30	6.66	-67.15
CC(C)C(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)[NH+](C)C	REAL300006865098	0	54	0.0	-68.18	410.09	6.54	-61.64
CNC1=[NH+]C(C)=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865113	1	51	0.0	-61.20	409.13	5.54	-55.66
CCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865118	0	51	0.0	-69.25	399.49	5.92	-63.33
CCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865118	1	51	0.0	-69.23	399.49	5.92	-63.31
CN1C=C(C2OC3(CNC(=O)C[N@H+](C)C4CCC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865134	0	52	0.0	-67.15	406.16	6.52	-60.63
CN1C=C(C2OC3(CNC(=O)C[N@@H+](C)C4CCC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865134	1	52	0.0	-66.97	406.03	6.51	-60.46
CN1C=C(C2OC3(CNC(=O)C[N@H+](C)CC(C)(C)C)CC2(C(=O)[O-])C3)C=N1	REAL300006865147	0	57	0.0	-68.57	430.05	7.05	-61.52
CN1C=C(C2OC3(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC2(C(=O)[O-])C3)C=N1	REAL300006865147	1	57	0.0	-68.62	429.89	6.99	-61.63
CC[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)[NH+](C)C	REAL300006865149	0	51	0.0	-66.32	394.08	6.07	-60.25
CN1C=C(C2OC3(CNC(=O)CC4(O)CCC[N@H+](C)C4)CC2(C(=O)[O-])C3)C=N1	REAL300006865151	0	56	0.0	-69.17	417.77	4.84	-64.33
CN1C=C(C2OC3(CNC(=O)CC4(O)CCC[N@@H+](C)C4)CC2(C(=O)[O-])C3)C=N1	REAL300006865151	1	56	0.0	-68.58	427.30	4.92	-63.66
CCCCCC[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865171	0	60	0.0	-70.33	463.99	8.26	-62.07
CCCCCC[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865171	1	60	0.0	-70.28	463.99	8.26	-62.02
CN1C=C(C2OC3(CNC(=O)C45CCC[NH+]4CCC5)CC2(C(=O)[O-])C3)C=N1	REAL300006865176	0	53	0.0	-64.78	403.04	6.44	-58.34
CN1C=C(C2OC3(CNC(=O)C4=CC5=C[NH+]=CN5C=C4)CC2(C(=O)[O-])C3)C=N1	REAL300006865182	1	47	0.0	-75.46	390.53	8.02	-67.44
CN1C=C(C2OC3(CNC(=O)C[N@H+](C)C4CCSC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865188	0	53	0.0	-74.65	419.42	6.74	-67.91
CN1C=C(C2OC3(CNC(=O)C[N@@H+](C)C4CCSC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865188	1	53	0.0	-73.92	419.61	6.74	-67.18
CN1C=C(C2OC3(CNC(=O)C4CCCC5CCC[N@@H+]54)CC2(C(=O)[O-])C3)C=N1	REAL300006865200	0	56	0.0	-60.54	424.52	7.39	-53.15
CN1C=C(C2OC3(CNC(=O)C4CCCC5CCC[N@H+]54)CC2(C(=O)[O-])C3)C=N1	REAL300006865200	1	56	0.0	-61.67	427.13	7.45	-54.22
CCCC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)[NH+](C)C	REAL300006865217	0	54	0.0	-68.50	415.19	6.89	-61.61
C[C@@H]1[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC[N@@H+]1C	REAL300006865225	0	52	0.0	-73.81	393.98	5.35	-68.46
C[C@@H]1[C@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC[N@H+]1C	REAL300006865225	1	52	0.0	-69.50	401.12	5.68	-63.82
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC[N@@H+]1C	REAL300006865228	0	55	0.0	-69.70	413.96	6.04	-63.66
CC[C@@H]1[C@@H](C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC[N@H+]1C	REAL300006865228	1	55	0.0	-69.65	419.71	6.44	-63.21
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865230	1	51	0.0	-64.08	403.90	6.14	-57.94
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865230	1	51	0.0	-64.30	412.71	6.84	-57.46
CC1C[N@H+](C)CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)O1	REAL300006865233	1	53	0.0	-70.47	414.11	5.62	-64.85
CC1C[N@@H+](C)CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)O1	REAL300006865233	1	53	0.0	-76.06	415.83	5.56	-70.50
CN1C=C(C2OC3(CNC(=O)C[NH+]4CCCC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865239	0	49	0.0	-68.29	385.74	5.64	-62.65
CC1=[NH+]C=CN1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865241	1	47	0.0	-66.16	389.35	6.14	-60.02
CC(C[NH+]1CCOCC1)C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865243	0	56	0.0	-72.23	431.44	5.27	-66.96
CC1CC[NH+](CC(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300006865260	0	55	0.0	-69.19	423.22	6.99	-62.20
CC[N@@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300006865266	1	53	0.0	-73.39	413.65	5.54	-67.85
CC[N@H+]1CCOC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300006865266	1	53	0.0	-75.41	415.42	5.61	-69.80
CN1C=C(C2OC3(CNC(=O)CCC4CCC[N@@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006865286	0	55	0.0	-70.72	421.86	6.55	-64.17
CN1C=C(C2OC3(CNC(=O)CCC4CCC[N@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006865286	1	55	0.0	-72.31	427.31	7.02	-65.29
CN1C=C(C2OC3(CNC(=O)C45CCC[NH+](CCC4)C5)CC2(C(=O)[O-])C3)C=N1	REAL300006865294	0	56	0.0	-70.20	417.14	6.67	-63.53
CN1C=C(C2OC3(CNC(=O)C4(C)CC(O)C[N@@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006865296	1	53	0.0	-69.78	406.47	2.53	-67.25
CN1C=C(C2OC3(CNC(=O)C4(C)CC(O)C[N@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006865296	1	53	0.0	-67.92	409.32	2.72	-65.20
CN1C=C(C2OC3(CNC(=O)C4CCC5CCCC[N@@H+]54)CC2(C(=O)[O-])C3)C=N1	REAL300006865297	0	56	0.0	-65.17	425.19	7.31	-57.86
CN1C=C(C2OC3(CNC(=O)C4CCC5CCCC[N@H+]54)CC2(C(=O)[O-])C3)C=N1	REAL300006865297	1	56	0.0	-61.80	427.62	7.44	-54.36
CC[NH+](CC)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865305	0	51	0.0	-67.54	391.52	5.61	-61.93
CC(C)[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300006865307	0	58	0.0	-71.28	435.53	7.12	-64.16
CN1C=C(C2OC3(CNC(=O)C45CC[NH+](CC4)C5)CC2(C(=O)[O-])C3)C=N1	REAL300006865352	0	50	0.0	-70.55	391.25	5.01	-65.54
CCC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)[NH+](C)C	REAL300006865355	0	51	0.0	-66.54	390.17	5.55	-60.99
CN1C=C(C2OC3(CNC(=O)C45CC[N@H+](C4)CCC5)CC2(C(=O)[O-])C3)C=N1	REAL300006865361	0	53	0.0	-69.18	399.01	5.59	-63.59
CN1C=C(C2OC3(CNC(=O)C45CC[N@@H+](C4)CCC5)CC2(C(=O)[O-])C3)C=N1	REAL300006865361	1	53	0.0	-70.18	402.47	5.80	-64.38
CC1CCC(C)[NH+]1CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865386	0	55	0.0	-65.40	418.12	6.56	-58.84
CN1C=C(C2OC3(CNC(=O)C4=CC(C[NH+](C)C)=CC=C4)CC2(C(=O)[O-])C3)C=N1	REAL300006865387	0	55	0.0	-73.60	437.98	7.96	-65.64
CN1C=C(C2OC3(CNC(=O)C4([NH+](C)C)CCC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865410	0	52	0.0	-67.81	390.93	6.03	-61.78
C#CC[NH+]1CCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300006865424	0	54	0.0	-74.95	429.50	7.31	-67.64
CCC[N@@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865425	0	58	0.0	-64.58	441.92	7.50	-57.08
CCC[N@H+]1CCCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865425	1	58	0.0	-62.87	438.59	7.35	-55.52
CN1C=C(C2OC3(CNC(=O)C4=CC=CC=C4C[NH+](C)C)CC2(C(=O)[O-])C3)C=N1	REAL300006865426	0	55	0.0	-61.74	430.70	8.18	-53.56
CC(C)[N@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865427	0	51	0.0	-66.83	394.69	5.69	-61.14
CC(C)[N@@H+](C)CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865427	1	51	0.0	-66.75	394.68	5.70	-61.05
CN1C=C(C2OC3(CNC(=O)C(C4=CC=CC=C4)[NH+](C)C)CC2(C(=O)[O-])C3)C=N1	REAL300006865428	1	55	0.0	-66.61	434.58	8.01	-58.60
CC[N@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C1CC1	REAL300006865438	0	52	0.0	-65.56	408.86	6.53	-59.03
CC[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C1CC1	REAL300006865438	1	52	0.0	-66.35	406.64	6.52	-59.83
CC(C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)[NH+]1CCCCCC1	REAL300006865451	0	58	0.0	-65.24	428.96	6.98	-58.26
CN1C=C(C2OC3(CNC(=O)[C@@H]4CCC[N@@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006865453	0	49	0.0	-66.49	379.79	5.02	-61.47
CN1C=C(C2OC3(CNC(=O)[C@@H]4CCC[N@H+]4C)CC2(C(=O)[O-])C3)C=N1	REAL300006865453	1	49	0.0	-64.43	385.44	5.43	-59.00
CN1C=C(C2OC3(CNC(=O)C[NH2+]C(C)(C)C)CC2(C(=O)[O-])C3)C=N1	REAL300006865492	0	51	0.0	-68.42	398.89	4.24	-64.18
CN1C=C(C2OC3(CNC(=O)CCCC[NH+]4CCCC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865493	0	58	0.0	-72.29	451.59	7.82	-64.47
CN1C=C(C2OC3(CNC(=O)C[N@H+](C)CC4=CC=CC=C4)CC2(C(=O)[O-])C3)C=N1	REAL300006865495	1	55	0.0	-72.90	436.97	8.09	-64.81
CN1C=C(C2OC3(CNC(=O)C[N@@H+](C)CC4=CC=CC=C4)CC2(C(=O)[O-])C3)C=N1	REAL300006865495	1	55	0.0	-72.87	436.92	8.09	-64.78
CC(C)[C@@H](C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)[NH+](C)C	REAL300006865502	0	54	0.0	-67.68	406.33	7.01	-60.67
CN1C=C(C2OC3(CNC(=O)C4=NOC(C[NH+](C)C)=C4)CC2(C(=O)[O-])C3)C=N1	REAL300006865524	1	51	0.0	-78.11	417.91	5.44	-72.67
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865531	0	55	0.0	-65.59	415.29	6.88	-58.71
CC(C)[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865531	1	55	0.0	-62.82	418.99	6.69	-56.13
CN1C=C(C2OC3(CNC(=O)COC4CC[NH+](C)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865544	0	56	0.0	-77.02	440.03	6.61	-70.41
CCC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300006865629	0	58	0.0	-66.94	434.74	7.59	-59.35
CCC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300006865629	1	58	0.0	-63.02	437.31	7.69	-55.33
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865642	0	58	0.0	-65.08	447.53	7.85	-57.23
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300006865642	1	58	0.0	-64.27	444.67	7.76	-56.51
CN1C=C(C2OC3(CNC(=O)C[NH+]4CCC(CO)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006865643	1	56	0.0	-70.48	434.06	3.68	-66.80
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300006865751	0	58	0.0	-66.30	438.72	7.26	-59.04
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300006865751	1	58	0.0	-65.74	437.35	7.23	-58.51
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)N1	REAL300006865766	1	53	0.0	-65.83	430.50	5.79	-60.04
CN1C=C(C2OC3(CNC(=O)[C@H]4C[C@H]([NH+](C)C)C4)CC2(C(=O)[O-])C3)C=N1	REAL300006866079	0	52	0.0	-70.13	412.41	6.34	-63.79
CN1C=C(C2OC3(CNC(=O)[C@H]4CC[C@@H]([NH+](C)C)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006866083	0	58	0.0	-64.86	429.36	7.07	-57.79
CC1=[NH+]C=C2C=CC(C(=O)NCC34CC(C(=O)[O-])(C3)C(C3=CN(C)N=C3)O4)=CN21	REAL300006866085	0	50	0.0	-66.05	411.42	7.74	-58.31
CC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300006866120	0	55	0.0	-62.52	416.15	7.04	-55.48
CC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300006866120	1	55	0.0	-67.20	420.50	6.75	-60.45
CN1C=C(C2OC3(CNC(=O)C4CCC[N@H+](C)C4)CC2(C(=O)[O-])C3)C=N1	REAL300006866125	0	52	0.0	-63.43	398.42	6.39	-57.04
CN1C=C(C2OC3(CNC(=O)C4CCC[N@@H+](C)C4)CC2(C(=O)[O-])C3)C=N1	REAL300006866125	1	52	0.0	-64.60	400.90	6.42	-58.18
CN1C=C(C2OC3(CNC(=O)C4=CC=C(C[NH+](C)C)O4)CC2(C(=O)[O-])C3)C=N1	REAL300006866127	1	52	0.0	-73.57	424.39	6.28	-67.29
CN1C=C(C2OC3(CNC(=O)C45CC(C4)C[N@@H+]5C4CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006866134	0	54	0.0	-70.49	414.17	7.59	-62.90
CN1C=C(C2OC3(CNC(=O)C45CC(C4)C[N@H+]5C4CC4)CC2(C(=O)[O-])C3)C=N1	REAL300006866134	1	54	0.0	-64.79	412.88	7.72	-57.07
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCC(F)(F)CC2)C1	REAL300006866212	0	49	0.0	-47.85	351.43	7.96	-39.89
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCC(F)(F)CC2)C1	REAL300006866212	1	49	0.0	-50.75	362.33	8.47	-42.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3C2C3(F)F)C1	REAL300006866289	0	41	0.0	-50.51	316.97	7.34	-43.17
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3C2C3(F)F)C1	REAL300006866289	1	41	0.0	-51.52	322.41	7.32	-44.20
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3C2C3(F)F)C1	REAL300006866364	0	44	0.0	-48.15	336.56	7.82	-40.33
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3C2C3(F)F)C1	REAL300006866364	1	44	0.0	-51.08	335.35	7.83	-43.25
CC1(C)CC(CO)(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006866444	0	50	0.0	-48.75	367.44	4.69	-44.06
CC1(C)CC(CO)(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006866444	1	50	0.0	-44.61	360.64	4.39	-40.22
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C3(CO)CCCC3)C=C2)C1	REAL300006866557	0	54	0.0	-50.89	392.32	7.87	-43.02
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C3(CO)CCCC3)C=C2)C1	REAL300006866557	1	54	0.0	-51.14	398.75	7.79	-43.35
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866609	0	43	0.0	-72.72	336.57	6.97	-65.75
CN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866610	0	47	0.0	-84.78	371.16	7.35	-77.43
CN(C(=O)C1=CC=CC(C(=O)[O-])=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866611	0	43	0.0	-88.42	333.88	6.92	-81.50
CN(C(=O)C1=CC=C(C(=O)[O-])S1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866612	0	40	0.0	-70.88	327.84	6.03	-64.85
CN(C(=O)C1=CC=CC(C(=O)[O-])=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866613	0	42	0.0	-65.19	333.43	6.19	-59.00
CCOC1=CC(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)=CC=C1OCC(=O)[O-]	REAL300006866614	0	54	0.0	-80.89	415.91	7.89	-73.00
CN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866615	0	49	0.0	-80.05	387.86	8.92	-71.13
CN(C(=O)C1=CC=NC(C(=O)[O-])=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866616	0	42	0.0	-89.73	329.96	5.17	-84.56
CN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866617	0	47	0.0	-79.95	375.48	8.61	-71.34
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866618	0	45	0.0	-61.82	366.11	7.79	-54.03
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866619	0	45	0.0	-61.82	366.11	7.79	-54.03
CN(C(=O)C1=CC=C(C(=O)[O-])O1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866620	0	40	0.0	-64.39	321.77	5.78	-58.61
CN(C(=O)CCC1=CC=CC=C1C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866621	0	49	0.0	-74.84	378.67	8.68	-66.16
CC1=CC(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006866622	0	53	0.0	-74.29	413.65	8.94	-65.35
CN(C(=O)CC1=CC=CC(C(=O)[O-])=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866623	0	46	0.0	-83.65	366.30	8.35	-75.30
CN(C(=O)C1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866624	0	49	0.0	-87.48	357.85	7.30	-80.18
CN(C(=O)C1=CC=C(C(=O)[O-])N=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866625	0	42	0.0	-80.09	335.79	5.30	-74.79
CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866626	0	42	0.0	-66.01	333.07	6.19	-59.82
CN(C(=O)CC(C)(C)CC(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866627	0	48	0.0	-76.75	350.52	6.88	-69.87
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1F)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866628	0	43	0.0	-74.70	345.97	7.08	-67.62
CN(C(=O)C1=CN=C(C(=O)[O-])C=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866629	0	41	0.0	-68.36	328.66	4.33	-64.03
CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866630	0	49	0.0	-68.25	359.11	7.19	-61.06
CN(C(=O)C1CCC(C(=O)[O-])CC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866631	0	49	0.0	-74.51	362.24	7.32	-67.19
CN(C(=O)CC1=CC=C(C(=O)[O-])C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866632	0	46	0.0	-82.39	364.68	8.04	-74.35
CN(C(=O)CN1C=C(C(=O)[O-])N=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866633	0	42	0.0	-89.14	342.85	4.00	-85.14
CC1=NC(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)=CC=C1C(=O)[O-]	REAL300006866634	0	45	0.0	-67.70	353.41	6.90	-60.80
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866635	0	43	0.0	-72.72	336.57	6.97	-65.75
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866636	0	46	0.0	-85.12	346.51	6.86	-78.26
CN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866637	0	46	0.0	-83.78	362.26	7.83	-75.95
CN(C(=O)C1=C(CC(=O)[O-])OC=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866638	0	43	0.0	-84.87	339.33	6.14	-78.73
CC1=COC(CC(=O)[O-])=C1C(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866639	0	46	0.0	-64.75	365.77	6.89	-57.86
CN(C(=O)C1=CC(C(=O)[O-])=CC=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866640	0	42	0.0	-75.68	333.28	6.19	-69.49
CN(C(=O)CC1CCC(C(=O)[O-])CC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866641	0	52	0.0	-82.00	382.83	8.27	-73.73
CN(C(=O)CC(C)(C)CC(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866642	0	48	0.0	-76.75	350.52	6.88	-69.87
CC(CC(=O)[O-])CC(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866643	0	45	0.0	-79.15	340.77	6.51	-72.64
CN(C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866644	0	45	0.0	-77.50	361.31	6.73	-70.77
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866645	0	50	0.0	-90.62	389.83	8.52	-82.10
CN(C(=O)C1=NOC(C(=O)[O-])=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866646	0	39	0.0	-65.09	316.62	5.19	-59.90
CN(C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866647	0	56	0.0	-75.23	419.99	10.29	-64.94
CC1=C(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)C=C(C(=O)[O-])O1	REAL300006866648	0	43	0.0	-68.09	335.78	6.18	-61.91
CC1=C(C(=O)[O-])OC(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)=C1	REAL300006866649	0	43	0.0	-64.87	339.69	6.37	-58.50
CN(C(=O)CN1C=C(C(=O)[O-])C=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866650	0	43	0.0	-87.14	348.03	5.54	-81.60
CN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866651	0	44	0.0	-66.98	359.34	7.20	-59.78
CN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866652	0	47	0.0	-75.32	366.82	7.24	-68.08
CN(C(=O)CCSCC(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866653	0	43	0.0	-74.38	351.19	6.64	-67.74
CN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866654	0	42	0.0	-66.01	333.07	6.19	-59.82
CN(C(=O)C1=CC(C(=O)[O-])=NN1C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866655	0	43	0.0	-72.31	334.69	4.71	-67.60
C[C@@H]1C[C@H](C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)O[C@H]1C(=O)[O-]	REAL300006866656	0	47	0.0	-82.20	360.83	6.76	-75.44
CN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866657	0	46	0.0	-74.53	357.81	7.72	-66.81
CN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866658	0	47	0.0	-79.64	367.97	8.25	-71.39
CN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866659	0	44	0.0	-77.22	359.96	6.87	-70.35
CN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866660	0	46	0.0	-87.18	374.55	3.19	-83.99
CN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866661	0	44	0.0	-70.64	359.79	7.15	-63.49
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866662	0	46	0.0	-85.12	346.51	6.86	-78.26
CC1=CC=C(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)C=C1C(=O)[O-]	REAL300006866663	0	46	0.0	-89.37	353.59	7.56	-81.81
CN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866664	0	42	0.0	-72.87	331.64	5.08	-67.79
CC1=NC=C(C(=O)[O-])C=C1C(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866665	0	45	0.0	-63.64	350.46	5.84	-57.80
CN(C(=O)CN1C=CC(C(=O)[O-])=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866666	0	43	0.0	-98.36	347.06	5.51	-92.85
CN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866667	0	49	0.0	-90.10	389.75	6.90	-83.20
CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866668	0	43	0.0	-69.40	327.89	6.52	-62.88
CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866669	0	50	0.0	-84.79	382.93	7.21	-77.58
CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866670	0	50	0.0	-76.17	383.21	6.19	-69.98
CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866671	0	43	0.0	-69.40	327.89	6.52	-62.88
CC1=C(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)OC(C(=O)[O-])=C1	REAL300006866672	0	43	0.0	-65.04	339.62	6.49	-58.55
CN(C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866673	0	51	0.0	-75.28	371.29	8.64	-66.64
CC(C)C(C(=O)[O-])C(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866674	0	45	0.0	-62.76	339.38	6.25	-56.51
CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866675	0	49	0.0	-83.17	346.50	7.77	-75.40
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866677	0	50	0.0	-90.62	389.83	8.52	-82.10
CN(C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866678	0	50	0.0	-98.58	399.80	9.52	-89.06
CN(C(=O)C1CC2(CC2C(=O)[O-])C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866679	0	47	0.0	-76.40	356.89	7.56	-68.84
CN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866680	0	43	0.0	-74.26	328.06	6.26	-68.00
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866681	0	49	0.0	-81.68	367.48	8.48	-73.20
CC1=CC=C(C(=O)[O-])C=C1C(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866682	0	46	0.0	-65.97	358.75	7.67	-58.30
CN(C(=O)C1CC(C)(C(=O)[O-])C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866683	0	46	0.0	-70.29	348.84	6.78	-63.51
CN(C(=O)C1=CC(C(=O)[O-])=NN1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866684	0	40	0.0	-77.04	319.37	3.88	-73.16
CC1=C(C(=O)[O-])C=NC=C1C(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866685	0	45	0.0	-69.60	347.20	5.66	-63.94
CCCC(C(=O)[O-])C(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866686	0	45	0.0	-62.13	341.81	6.42	-55.71
CC1=CC(C(=O)[O-])=CC=C1C(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866687	0	46	0.0	-75.73	360.66	7.87	-67.86
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866688	0	43	0.0	-73.27	354.66	7.52	-65.75
CN(C(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866689	0	50	0.0	-73.59	376.94	8.11	-65.48
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)=C1	REAL300006866690	0	46	0.0	-62.92	363.16	5.51	-57.41
CN(C(=O)C1=CC=C(C(=O)[O-])N1C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866691	0	44	0.0	-76.26	335.84	6.22	-70.04
CN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866692	0	49	0.0	-75.05	379.21	8.53	-66.52
CN(C(=O)CC1(CC(=O)[O-])CC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866693	0	46	0.0	-71.93	350.38	7.06	-64.87
CN(C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866694	0	47	0.0	-65.69	375.51	7.91	-57.78
CN(C(=O)C1=CSC(C(=O)[O-])=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866695	0	39	0.0	-61.07	329.33	5.27	-55.80
CN(C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866696	0	43	0.0	-78.92	328.14	6.91	-72.01
CC1=C(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)C=C(C(=O)[O-])S1	REAL300006866697	0	43	0.0	-68.71	349.67	6.87	-61.84
CN(C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866698	0	43	0.0	-81.70	367.25	7.63	-74.07
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)=C1	REAL300006866699	0	47	0.0	-78.35	372.29	6.60	-71.75
CN(C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866700	0	46	0.0	-92.96	372.58	8.34	-84.62
CN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866701	0	48	0.0	-78.06	375.43	6.90	-71.16
CN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866702	0	47	0.0	-78.58	371.83	8.51	-70.07
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866703	0	44	0.0	-66.81	358.50	6.63	-60.18
CN(C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866704	0	44	0.0	-77.30	363.15	6.95	-70.35
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866705	0	44	0.0	-67.58	349.87	5.77	-61.81
CC1=C(C(=O)[O-])C=CC=C1C(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866706	0	46	0.0	-81.78	352.92	7.50	-74.28
CN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866707	0	46	0.0	-77.77	369.54	6.77	-71.00
CN(C(=O)C1=CC(C(=O)[O-])=CS1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866708	0	40	0.0	-79.31	326.27	5.89	-73.42
CN(C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866709	0	48	0.0	-69.52	358.69	5.49	-64.03
CN(C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866710	0	49	0.0	-76.01	377.15	9.05	-66.96
CC(C)[C@]1(C(=O)N(C)C2CCN(C3=CC=[NH+]C=C3)C2)C[C@H]1C(=O)[O-]	REAL300006866711	0	49	0.0	-72.24	362.88	7.10	-65.14
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866712	0	49	0.0	-88.41	379.41	8.48	-79.93
CN(C(=O)CC1=CC(C(=O)[O-])=CS1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866713	0	43	0.0	-83.11	357.20	7.19	-75.92
CN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866714	0	46	0.0	-85.74	370.84	8.40	-77.34
CN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866715	0	46	0.0	-76.91	343.32	6.82	-70.09
CN(C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300006866716	0	50	0.0	-70.99	384.41	8.45	-62.54
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H](CC2=CC=CC=C2)C2=NNC=N2)C1	REAL300006866786	0	49	0.0	-53.34	384.83	9.12	-44.22
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H](CC2=CC=CC=C2)C2=NNC=N2)C1	REAL300006866786	1	49	0.0	-51.76	390.30	9.09	-42.67
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006866929	0	53	0.0	-47.55	401.46	11.23	-36.32
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006866929	1	53	0.0	-48.77	402.30	11.69	-37.08
CC(C)(C)C1=CC=CN=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006867055	0	51	0.0	-48.06	368.11	8.07	-39.99
CC(C)(C)C1=CC=CN=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006867055	1	51	0.0	-48.54	374.30	8.10	-40.44
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL300006867146	0	46	0.0	-51.13	340.27	6.51	-44.62
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL300006867146	1	46	0.0	-50.37	340.43	6.47	-43.90
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2C(F)(F)F)C(F)F)C1	REAL300006867235	1	46	0.0	-51.14	364.50	9.22	-41.92
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2C(F)(F)F)C(F)F)C1	REAL300006867235	1	46	0.0	-47.68	363.67	8.77	-38.91
CN1C=CN=C1C1=CC2CCC(C1)N2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006867330	0	52	0.0	-48.86	379.67	10.48	-38.38
CN1C=CN=C1C1=CC2CCC(C1)N2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006867330	1	52	0.0	-49.01	378.44	10.03	-38.98
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(N3CCSCC3)=N2)C1	REAL300006867462	1	49	0.0	-53.89	375.58	9.34	-44.55
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(N3CCSCC3)=N2)C1	REAL300006867462	1	49	0.0	-52.37	381.07	9.31	-43.06
CN1N=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300006867594	0	40	0.0	-47.27	329.53	5.43	-41.84
CN1N=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300006867594	1	40	0.0	-49.68	335.73	5.45	-44.23
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006868713	0	54	0.0	-83.22	395.11	11.84	-71.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006870050	0	48	0.0	-79.96	342.80	9.47	-70.49
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])CN12	REAL300006870071	1	46	0.0	-70.52	337.03	9.16	-61.36
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])CC2)=CS1	REAL300006870134	1	53	0.0	-85.70	394.37	10.01	-75.69
CC(C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])N1CC[NH+](C)CC1	REAL300006870135	1	49	0.0	-74.25	341.56	6.38	-67.87
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006870205	0	57	0.0	-87.87	428.00	11.67	-76.20
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300006870210	0	57	0.0	-97.33	425.44	13.96	-83.37
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300006870210	1	57	0.0	-97.92	425.38	13.95	-83.97
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CCCCC1	REAL300006870283	0	53	0.0	-82.61	349.26	10.10	-72.51
C[N@H+](CCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300006870286	0	53	0.0	-73.76	371.96	10.49	-63.27
C[N@@H+](CCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300006870286	1	53	0.0	-74.56	371.96	10.50	-64.06
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006870348	0	47	0.0	-93.27	358.91	9.51	-83.76
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006870365	0	55	0.0	-89.37	378.02	9.34	-80.03
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870392	1	45	0.0	-75.30	344.91	9.84	-65.46
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CCCC[NH+]1CCOCC1	REAL300006870393	1	51	0.0	-82.34	372.65	8.74	-73.60
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300006870394	0	56	0.0	-89.38	397.21	11.52	-77.86
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300006870394	1	56	0.0	-89.02	389.14	11.16	-77.86
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006870412	0	51	0.0	-74.91	375.16	11.12	-63.79
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006870412	1	51	0.0	-74.90	374.29	11.15	-63.75
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006870413	0	52	0.0	-85.72	379.18	10.46	-75.26
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006870442	0	55	0.0	-76.61	367.32	8.72	-67.89
CC(C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006870445	0	50	0.0	-65.64	367.57	11.03	-54.61
CC(C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006870445	1	50	0.0	-69.31	367.75	11.06	-58.25
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006870453	0	57	0.0	-61.32	406.39	12.78	-48.54
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006870453	1	57	0.0	-79.24	413.30	12.93	-66.31
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300006870469	0	46	0.0	-85.96	345.35	8.07	-77.89
CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870476	0	55	0.0	-76.52	397.27	11.00	-65.52
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870483	1	45	0.0	-63.90	339.81	9.63	-54.27
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006870496	0	51	0.0	-92.38	373.82	11.05	-81.33
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006870501	0	54	0.0	-92.07	390.30	12.22	-79.85
CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])CC2)CC1	REAL300006870507	0	62	0.0	-83.96	421.12	10.03	-73.93
CC1C[NH+](CC2=CC=C(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300006870514	1	58	0.0	-92.82	423.94	10.79	-82.03
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006870525	1	55	0.0	-88.29	402.46	11.48	-76.81
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006870525	1	55	0.0	-87.47	401.83	11.60	-75.87
CC1=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006870540	1	45	0.0	-87.09	345.84	8.30	-78.79
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006870543	0	54	0.0	-92.45	390.58	11.76	-80.69
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006870554	1	47	0.0	-84.78	357.27	9.39	-75.39
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006870555	0	50	0.0	-96.10	371.50	10.75	-85.35
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870560	1	43	0.0	-67.60	322.09	7.72	-59.88
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006870561	1	52	0.0	-89.99	383.99	10.61	-79.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006870561	1	52	0.0	-80.93	373.46	10.52	-70.41
CC(C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006870571	0	60	0.0	-68.62	430.14	13.15	-55.47
CC(C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCSCC1	REAL300006870600	1	45	0.0	-64.53	331.91	9.23	-55.30
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870607	0	50	0.0	-67.84	373.44	11.53	-56.31
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870607	1	50	0.0	-68.30	372.68	11.17	-57.13
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870608	0	54	0.0	-73.25	403.15	7.41	-65.84
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870608	1	54	0.0	-76.78	402.18	7.38	-69.40
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300006870611	0	48	0.0	-70.24	334.50	7.16	-63.08
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300006870611	1	48	0.0	-75.30	331.97	7.26	-68.04
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006870618	0	59	0.0	-81.49	429.01	10.94	-70.55
CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870620	0	52	0.0	-66.56	378.50	10.62	-55.94
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870620	1	52	0.0	-67.18	377.27	10.50	-56.68
C[N@H+](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1CCSC1	REAL300006870645	0	45	0.0	-70.80	330.33	9.47	-61.33
C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1CCSC1	REAL300006870645	1	45	0.0	-69.41	334.65	9.02	-60.39
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006870658	0	55	0.0	-79.07	388.64	8.19	-70.88
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006870658	1	55	0.0	-72.47	386.56	8.17	-64.30
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006870659	0	58	0.0	-77.44	411.24	9.13	-68.31
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006870659	1	58	0.0	-77.32	408.06	8.57	-68.75
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300006870660	0	48	0.0	-60.72	335.42	9.41	-51.31
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300006870660	1	48	0.0	-66.97	324.78	8.98	-57.99
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300006870662	0	47	0.0	-89.09	352.59	7.89	-81.20
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])CC2)=C1	REAL300006870665	0	59	0.0	-76.48	427.24	10.86	-65.62
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006870667	0	56	0.0	-76.94	407.81	10.13	-66.81
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006870669	0	53	0.0	-71.36	378.87	10.14	-61.22
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006870669	1	53	0.0	-76.34	385.15	9.93	-66.41
CC(C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006870674	1	51	0.0	-66.17	365.34	11.30	-54.87
CC(C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006870674	1	51	0.0	-67.43	370.29	11.05	-56.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006870697	0	54	0.0	-80.68	397.42	12.28	-68.40
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006870697	1	54	0.0	-82.49	400.20	11.99	-70.50
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300006870710	0	47	0.0	-100.14	355.39	8.47	-91.67
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870711	0	47	0.0	-66.70	347.78	7.91	-58.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870712	1	48	0.0	-69.05	360.73	10.11	-58.94
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=NN1	REAL300006870716	1	48	0.0	-82.28	350.57	7.84	-74.44
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=NN1	REAL300006870716	1	48	0.0	-88.13	351.92	7.69	-80.44
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006870725	0	54	0.0	-72.44	390.04	11.86	-60.58
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006870725	1	54	0.0	-76.40	397.17	12.12	-64.28
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870729	1	48	0.0	-65.83	340.93	7.61	-58.22
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006870730	0	55	0.0	-76.56	403.57	9.61	-66.95
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006870773	0	54	0.0	-72.98	376.89	10.90	-62.08
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006870773	1	54	0.0	-69.72	377.60	10.89	-58.83
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300006870789	0	48	0.0	-62.88	333.40	9.15	-53.73
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300006870789	1	48	0.0	-61.82	338.16	9.83	-51.99
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=C2)CC1	REAL300006870803	0	56	0.0	-64.76	403.13	9.12	-55.64
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006870804	0	56	0.0	-85.87	406.76	9.14	-76.73
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006870804	1	56	0.0	-93.48	407.15	9.21	-84.27
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006870805	0	57	0.0	-90.48	409.82	10.77	-79.71
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006870811	0	50	0.0	-77.77	344.46	9.22	-68.55
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006870898	0	58	0.0	-94.98	422.25	9.06	-85.92
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300006870902	0	47	0.0	-92.50	348.74	10.35	-82.15
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006870903	0	54	0.0	-64.77	383.26	12.10	-52.67
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006870903	1	54	0.0	-64.40	385.95	12.10	-52.30
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006870949	0	46	0.0	-81.19	343.28	9.42	-71.77
CC[NH+]1CCN(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006870952	0	52	0.0	-80.73	371.90	7.69	-73.04
CCN1CC[NH+](CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006870952	1	52	0.0	-72.54	371.83	7.69	-64.85
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006870959	1	48	0.0	-67.92	359.40	9.94	-57.98
CC(C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCCCCC1	REAL300006870988	0	50	0.0	-66.48	335.06	9.28	-57.20
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CC=C1N2	REAL300006871020	1	52	0.0	-96.49	384.63	10.32	-86.17
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CC=C1N2	REAL300006871020	1	52	0.0	-72.33	385.47	10.18	-62.15
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300006871064	0	50	0.0	-90.15	363.38	10.36	-79.79
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CCCC[NH+]1CCCC1	REAL300006871065	0	50	0.0	-79.64	366.01	10.12	-69.52
CC1=CC=C(N2CCC(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300006871067	1	53	0.0	-82.47	384.21	9.91	-72.56
C[N@H+](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300006871068	1	47	0.0	-69.84	350.32	10.34	-59.50
C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300006871068	1	47	0.0	-68.86	351.48	10.46	-58.40
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300006871072	0	59	0.0	-92.92	413.90	9.97	-82.95
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006871083	1	42	0.0	-85.27	329.17	7.88	-77.39
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=NO1	REAL300006871105	1	43	0.0	-87.01	329.72	8.14	-78.87
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006871111	0	54	0.0	-86.28	396.33	11.78	-74.50
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300006871111	1	54	0.0	-74.30	389.30	11.77	-62.53
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006871134	0	55	0.0	-93.20	415.48	11.36	-81.84
C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006871146	0	48	0.0	-87.54	353.63	8.90	-78.64
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006871152	0	51	0.0	-90.77	372.61	11.03	-79.74
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300006871289	0	50	0.0	-74.43	352.91	9.62	-64.81
CCC[N@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300006871289	1	50	0.0	-73.11	358.47	9.70	-63.41
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006871318	0	48	0.0	-66.08	347.65	6.26	-59.82
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300006871488	0	50	0.0	-58.82	342.09	9.39	-49.43
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300006871488	1	50	0.0	-69.51	352.95	9.42	-60.09
C[N@@H+]1CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006871489	0	44	0.0	-78.66	326.04	8.51	-70.15
C[N@H+]1CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006871489	1	44	0.0	-85.81	315.35	8.59	-77.22
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])N1	REAL300006871513	1	45	0.0	-68.90	345.25	8.07	-60.83
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300006871887	0	50	0.0	-94.69	371.23	11.20	-83.49
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006871893	0	51	0.0	-92.49	378.81	9.70	-82.79
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006871976	0	57	0.0	-80.01	412.94	12.77	-67.24
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300006871978	1	55	0.0	-57.56	400.66	9.94	-47.62
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300006871978	1	55	0.0	-62.07	392.03	9.90	-52.17
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300006872004	0	50	0.0	-72.30	343.47	9.34	-62.96
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CN21	REAL300006872009	0	42	0.0	-71.60	330.89	9.91	-61.69
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300006872057	0	53	0.0	-64.95	365.54	10.81	-54.14
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300006872057	1	53	0.0	-59.94	360.07	10.59	-49.35
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300006872062	1	44	0.0	-93.12	332.09	9.26	-83.86
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300006872069	0	46	0.0	-71.65	328.62	9.69	-61.96
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300006872069	1	46	0.0	-75.84	330.39	10.04	-65.80
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(O)(C(F)F)C2)C1	REAL300006872169	0	44	0.0	-48.50	328.61	5.10	-43.40
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(O)(C(F)F)C2)C1	REAL300006872169	1	44	0.0	-46.85	328.33	4.63	-42.22
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3(CCS(=O)(=O)CC3)CC2)C1	REAL300006872285	0	54	0.0	-60.18	394.07	5.25	-54.93
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3(CCS(=O)(=O)CC3)CC2)C1	REAL300006872285	1	54	0.0	-59.16	393.23	5.18	-53.98
O=C([O-])C1CCC[N@H+](CC(=O)NC2C3CCCC3C2OCC2=CC=CC=C2)C1	REAL300006872391	0	58	0.0	-44.82	432.36	10.76	-34.06
O=C([O-])C1CCC[N@@H+](CC(=O)NC2C3CCCC3C2OCC2=CC=CC=C2)C1	REAL300006872391	1	58	0.0	-47.33	426.64	10.99	-36.34
CC1(C)CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)O1	REAL300006872656	0	53	0.0	-48.47	384.04	7.29	-41.18
CC1(C)CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)O1	REAL300006872656	1	53	0.0	-45.76	377.54	6.92	-38.84
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC23CCOCC3)C1	REAL300006872758	0	49	0.0	-50.06	336.97	5.63	-44.43
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC23CCOCC3)C1	REAL300006872758	1	49	0.0	-49.15	339.98	5.64	-43.51
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872792	0	46	0.0	-72.26	342.95	8.09	-64.17
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872792	1	46	0.0	-72.27	342.95	8.09	-64.18
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300006872793	0	50	0.0	-80.97	370.01	8.90	-72.07
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300006872793	1	50	0.0	-80.96	370.01	8.89	-72.07
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300006872794	0	46	0.0	-84.01	338.93	8.62	-75.39
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300006872794	1	46	0.0	-81.39	342.96	8.09	-73.30
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300006872795	0	43	0.0	-63.04	333.21	7.78	-55.26
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300006872795	1	43	0.0	-62.99	333.22	7.78	-55.21
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)C1	REAL300006872796	0	45	0.0	-58.50	341.07	6.36	-52.14
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)C1	REAL300006872796	1	45	0.0	-58.51	341.06	6.37	-52.14
CC(SC1=CC=CC=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300006872797	0	53	0.0	-82.05	391.49	10.39	-71.66
CC(SC1=CC=CC=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300006872797	1	53	0.0	-78.40	395.53	9.86	-68.54
CCOC1=CC(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)=CC=C1OCC(=O)[O-]	REAL300006872798	0	57	0.0	-78.29	421.00	9.58	-68.71
CCOC1=CC(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)=CC=C1OCC(=O)[O-]	REAL300006872798	1	57	0.0	-77.48	425.03	9.05	-68.43
CC(C)(C)[N@@H+]1CCCC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872799	0	52	0.0	-75.90	389.02	9.57	-66.33
CC(C)(C)[N@H+]1CCCC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872799	1	52	0.0	-75.95	389.01	9.57	-66.38
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300006872800	0	45	0.0	-86.42	335.01	6.85	-79.57
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300006872800	1	45	0.0	-83.98	339.05	6.32	-77.66
CC(C)(C)[N@@H+]1CCCC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872801	0	50	0.0	-76.89	373.44	9.82	-67.07
CC(C)(C)[N@H+]1CCCC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872801	1	50	0.0	-75.86	377.48	9.26	-66.60
CC(C)(C)[N@@H+]1CCCC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872802	0	54	0.0	-74.83	421.67	4.47	-70.36
CC(C)(C)[N@H+]1CCCC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872802	1	54	0.0	-74.69	417.67	5.01	-69.68
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300006872803	0	48	0.0	-74.82	367.09	9.28	-65.54
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300006872803	1	48	0.0	-74.74	367.09	9.27	-65.47
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300006872804	0	48	0.0	-74.82	367.09	9.28	-65.54
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300006872804	1	48	0.0	-74.74	367.09	9.27	-65.47
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C=C1	REAL300006872805	0	56	0.0	-76.98	419.60	9.70	-67.28
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C=C1	REAL300006872805	1	56	0.0	-78.34	415.56	10.22	-68.12
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300006872806	0	53	0.0	-73.43	401.13	9.11	-64.32
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300006872806	1	53	0.0	-70.40	397.04	9.63	-60.77
CC(C)(C)[N@@H+]1CCCC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300006872807	0	52	0.0	-65.05	380.38	9.30	-55.75
CC(C)(C)[N@H+]1CCCC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300006872807	1	52	0.0	-65.46	376.40	9.83	-55.63
CC1=CC(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006872808	0	56	0.0	-74.47	415.74	9.84	-64.63
CC1=CC(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006872808	1	56	0.0	-75.66	414.00	10.46	-65.20
CC(C)(C)[N@@H+]1CCCC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300006872809	0	49	0.0	-81.23	363.59	9.29	-71.94
CC(C)(C)[N@H+]1CCCC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300006872809	1	49	0.0	-80.65	367.61	8.75	-71.90
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2CCCC(C(=O)[O-])C2)C1	REAL300006872810	0	52	0.0	-80.87	365.05	8.86	-72.01
CC(C)(C)[N@H+]1CCCC(NC(=O)C2CCCC(C(=O)[O-])C2)C1	REAL300006872810	1	52	0.0	-80.35	364.51	8.83	-71.52
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300006872811	0	45	0.0	-71.47	334.80	6.84	-64.63
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300006872811	1	45	0.0	-72.16	338.82	6.31	-65.85
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300006872812	0	45	0.0	-60.28	336.32	6.90	-53.38
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300006872812	1	45	0.0	-60.32	336.33	6.89	-53.43
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300006872813	0	46	0.0	-73.44	343.45	8.69	-64.75
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300006872813	1	46	0.0	-72.53	347.48	8.15	-64.38
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)C1	REAL300006872814	0	44	0.0	-64.63	335.94	4.49	-60.14
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)C1	REAL300006872814	1	44	0.0	-64.62	335.94	4.50	-60.12
CC(C)(C)[N@@H+]1CCCC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300006872815	0	52	0.0	-71.92	365.04	8.85	-63.07
CC(C)(C)[N@H+]1CCCC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300006872815	1	52	0.0	-70.50	367.77	8.28	-62.22
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2CCC(C(=O)[O-])CC2)C1	REAL300006872816	0	52	0.0	-71.16	361.23	8.16	-63.00
CC(C)(C)[N@H+]1CCCC(NC(=O)C2CCC(C(=O)[O-])CC2)C1	REAL300006872816	1	52	0.0	-75.07	357.17	8.67	-66.40
CC(C)(C)[N@@H+]1CCCC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872817	0	49	0.0	-82.25	367.63	8.76	-73.49
CC(C)(C)[N@H+]1CCCC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872817	1	49	0.0	-82.31	367.61	8.76	-73.55
CC(C)(C)[N@@H+]1CCCC(NC(=O)CN2C=C(C(=O)[O-])N=N2)C1	REAL300006872818	0	45	0.0	-86.18	340.76	5.28	-80.90
CC(C)(C)[N@H+]1CCCC(NC(=O)CN2C=C(C(=O)[O-])N=N2)C1	REAL300006872818	1	45	0.0	-83.56	344.78	4.74	-78.82
CC1=NC(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)=CC=C1C(=O)[O-]	REAL300006872819	0	48	0.0	-62.42	356.26	7.50	-54.92
CC1=NC(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)=CC=C1C(=O)[O-]	REAL300006872819	1	48	0.0	-62.07	356.60	6.89	-55.18
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300006872820	0	46	0.0	-75.88	360.21	9.23	-66.65
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300006872820	1	46	0.0	-75.85	360.22	9.22	-66.63
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872821	0	46	0.0	-72.26	342.95	8.09	-64.17
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872821	1	46	0.0	-72.27	342.95	8.09	-64.18
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300006872822	0	49	0.0	-76.83	361.11	9.39	-67.44
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300006872822	1	49	0.0	-76.55	361.12	9.38	-67.17
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300006872823	0	56	0.0	-70.21	404.89	12.01	-58.20
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300006872823	1	56	0.0	-69.93	409.02	11.45	-58.48
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=C(CC(=O)[O-])OC=C2)C1	REAL300006872824	0	46	0.0	-75.14	341.37	7.52	-67.62
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=C(CC(=O)[O-])OC=C2)C1	REAL300006872824	1	46	0.0	-73.48	345.41	6.99	-66.49
CC1=COC(CC(=O)[O-])=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872825	0	49	0.0	-50.68	368.24	8.17	-42.51
CC1=COC(CC(=O)[O-])=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872825	1	49	0.0	-50.32	368.21	8.17	-42.15
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300006872826	0	45	0.0	-69.62	336.52	6.91	-62.71
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300006872826	1	45	0.0	-69.61	336.52	6.91	-62.70
CC(C)(C)[N@@H+]1CCCC(NC(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300006872827	0	55	0.0	-69.35	380.60	8.83	-60.52
CC(C)(C)[N@H+]1CCCC(NC(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300006872827	1	55	0.0	-76.56	387.74	9.02	-67.54
CC(C)(C)[N@@H+]1CCCC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300006872828	0	53	0.0	-79.47	376.83	8.45	-71.02
CC(C)(C)[N@H+]1CCCC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300006872828	1	53	0.0	-68.23	376.77	8.47	-59.76
CC(C)(C)[N@@H+]1CCCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300006872829	0	56	0.0	-74.02	386.52	9.00	-65.02
CC(C)(C)[N@H+]1CCCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300006872829	1	56	0.0	-74.72	382.50	9.52	-65.20
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300006872830	0	48	0.0	-69.17	360.80	7.92	-61.25
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300006872830	1	48	0.0	-72.81	364.82	7.39	-65.42
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300006872831	0	53	0.0	-80.74	391.07	9.32	-71.42
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300006872831	1	53	0.0	-76.95	395.08	8.80	-68.15
CC(C)(C)[N@@H+]1CCCC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300006872832	0	59	0.0	-69.20	421.93	10.98	-58.22
CC(C)(C)[N@H+]1CCCC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300006872832	1	59	0.0	-68.63	417.94	11.51	-57.12
CC1=C(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C=C(C(=O)[O-])O1	REAL300006872833	0	46	0.0	-64.45	346.07	7.22	-57.23
CC1=C(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C=C(C(=O)[O-])O1	REAL300006872833	1	46	0.0	-64.43	346.09	7.22	-57.21
CC1=C(C(=O)[O-])OC(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)=C1	REAL300006872834	0	46	0.0	-56.69	343.28	7.60	-49.09
CC1=C(C(=O)[O-])OC(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)=C1	REAL300006872834	1	46	0.0	-56.68	343.27	7.59	-49.09
CC(C)(C)[N@@H+]1CCCC(NC(=O)CN2C=C(C(=O)[O-])C=N2)C1	REAL300006872835	0	46	0.0	-79.67	349.67	6.24	-73.43
CC(C)(C)[N@H+]1CCCC(NC(=O)CN2C=C(C(=O)[O-])C=N2)C1	REAL300006872835	1	46	0.0	-79.75	349.66	6.24	-73.51
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300006872836	0	47	0.0	-60.83	358.48	8.20	-52.63
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300006872836	1	47	0.0	-60.85	358.47	8.19	-52.66
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006872837	0	53	0.0	-52.66	373.87	8.80	-43.86
CC(C)(C)[N@H+]1CCCC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006872837	1	53	0.0	-54.01	376.48	8.99	-45.02
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300006872838	0	50	0.0	-72.00	373.96	8.39	-63.61
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300006872838	1	50	0.0	-71.85	373.96	8.38	-63.47
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300006872839	0	55	0.0	-78.55	411.32	8.67	-69.88
CC(C)(C)[N@H+]1CCCC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300006872839	1	55	0.0	-80.52	407.29	9.20	-71.32
CC(C)(C)[N@@H+]1CCCC(NC(=O)CCSCC(=O)[O-])C1	REAL300006872840	0	46	0.0	-69.28	348.77	7.81	-61.47
CC(C)(C)[N@H+]1CCCC(NC(=O)CCSCC(=O)[O-])C1	REAL300006872840	1	46	0.0	-68.67	352.77	7.27	-61.40
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300006872841	0	45	0.0	-60.28	336.32	6.90	-53.38
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300006872841	1	45	0.0	-60.32	336.33	6.89	-53.43
CN1N=C(C(=O)[O-])C=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872842	0	46	0.0	-67.69	341.50	6.30	-61.39
CN1N=C(C(=O)[O-])C=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872842	1	46	0.0	-69.98	345.53	5.77	-64.21
C[C@@H]1C[C@H](C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)O[C@H]1C(=O)[O-]	REAL300006872843	0	50	0.0	-78.16	361.25	8.12	-70.04
C[C@@H]1C[C@H](C(=O)NC2CCC[N@H+](C(C)(C)C)C2)O[C@H]1C(=O)[O-]	REAL300006872843	1	50	0.0	-77.86	365.19	7.59	-70.27
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300006872844	0	49	0.0	-68.51	365.14	8.85	-59.66
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300006872844	1	49	0.0	-69.38	361.11	9.39	-59.99
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300006872845	0	50	0.0	-73.72	375.03	9.38	-64.34
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300006872845	1	50	0.0	-73.71	375.04	9.37	-64.34
CC(C)(C)[N@@H+]1CCCC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300006872846	0	47	0.0	-73.00	358.00	8.08	-64.92
CC(C)(C)[N@H+]1CCCC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300006872846	1	47	0.0	-73.00	358.00	8.07	-64.93
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300006872847	0	52	0.0	-79.44	373.90	10.16	-69.28
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300006872847	1	52	0.0	-75.82	377.96	9.63	-66.19
CC(C)(C)[N@@H+]1CCCC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300006872848	0	49	0.0	-81.32	371.67	4.35	-76.97
CC(C)(C)[N@H+]1CCCC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300006872848	1	49	0.0	-80.82	371.70	4.36	-76.46
CC(C)(C)[N@@H+]1CCCC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300006872849	0	47	0.0	-66.37	359.53	8.43	-57.94
CC(C)(C)[N@H+]1CCCC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300006872849	1	47	0.0	-67.90	363.55	7.89	-60.01
CC1=CC=C(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C=C1C(=O)[O-]	REAL300006872850	0	49	0.0	-85.13	359.00	9.25	-75.88
CC1=CC=C(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C=C1C(=O)[O-]	REAL300006872850	1	49	0.0	-80.70	358.94	8.63	-72.07
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300006872851	0	45	0.0	-75.13	334.08	6.83	-68.30
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300006872851	1	45	0.0	-73.65	338.10	6.29	-67.36
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872852	0	48	0.0	-55.68	350.37	7.49	-48.19
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872852	1	48	0.0	-58.96	354.40	6.95	-52.01
CC(C)(C)[N@@H+]1CCCC(NC(=O)CN2C=CC(C(=O)[O-])=N2)C1	REAL300006872853	0	46	0.0	-90.59	349.04	6.25	-84.34
CC(C)(C)[N@H+]1CCCC(NC(=O)CN2C=CC(C(=O)[O-])=N2)C1	REAL300006872853	1	46	0.0	-88.80	349.04	6.25	-82.55
CC(C)(C)[N@@H+]1CCCC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300006872854	0	52	0.0	-90.19	392.64	7.62	-82.57
CC(C)(C)[N@H+]1CCCC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300006872854	1	52	0.0	-89.14	392.62	7.62	-81.52
CC(C)(C)[N@@H+]1CCCC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300006872855	0	53	0.0	-81.14	382.76	8.57	-72.57
CC(C)(C)[N@H+]1CCCC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300006872855	1	53	0.0	-78.65	386.77	8.03	-70.62
CC(C)(C)[N@@H+]1CCCC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300006872856	0	53	0.0	-70.63	384.85	6.87	-63.76
CC(C)(C)[N@H+]1CCCC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300006872856	1	53	0.0	-69.48	385.11	6.90	-62.58
CC1=C(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)OC(C(=O)[O-])=C1	REAL300006872857	0	46	0.0	-56.70	343.18	7.70	-49.00
CC1=C(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)OC(C(=O)[O-])=C1	REAL300006872857	1	46	0.0	-60.09	347.18	7.17	-52.92
CC(C)(C)[N@@H+]1CCCC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300006872858	0	54	0.0	-46.09	361.67	9.24	-36.85
CC(C)(C)[N@H+]1CCCC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300006872858	1	54	0.0	-64.20	359.55	9.83	-54.37
CC(C)(C)[N@@H+]1CCCC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300006872859	0	52	0.0	-71.00	358.98	8.62	-62.38
CC(C)(C)[N@H+]1CCCC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300006872859	1	52	0.0	-72.27	352.31	9.37	-62.90
CC(C)(C)[N@@H+]1CCCC(NC(=O)CN2CCCC(C(=O)[O-])C2)C1	REAL300006872860	1	54	0.0	-73.65	377.86	5.78	-67.87
CC(C)(C)[N@H+]1CCCC(NC(=O)CN2CCCC(C(=O)[O-])C2)C1	REAL300006872860	1	54	0.0	-76.42	379.72	6.71	-69.71
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300006872861	0	53	0.0	-49.40	388.74	10.54	-38.86
CC(C)(C)[N@H+]1CCCC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300006872861	1	53	0.0	-45.12	378.95	10.65	-34.47
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300006872862	0	53	0.0	-80.74	391.07	9.32	-71.42
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300006872862	1	53	0.0	-76.95	395.08	8.80	-68.15
CC(C)(C)[N@@H+]1CCCC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300006872863	0	53	0.0	-91.38	400.98	10.21	-81.17
CC(C)(C)[N@H+]1CCCC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300006872863	1	53	0.0	-93.50	396.97	10.75	-82.75
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2CC3(CC3C(=O)[O-])C2)C1	REAL300006872864	0	50	0.0	-63.42	365.35	8.44	-54.98
CC(C)(C)[N@H+]1CCCC(NC(=O)C2CC3(CC3C(=O)[O-])C2)C1	REAL300006872864	1	50	0.0	-80.81	362.72	9.02	-71.79
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872865	0	52	0.0	-78.12	370.68	9.38	-68.74
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872865	1	52	0.0	-71.73	372.18	9.66	-62.07
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872866	0	49	0.0	-56.21	354.94	9.30	-46.91
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872866	1	49	0.0	-60.09	358.99	8.77	-51.32
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300006872867	0	43	0.0	-77.04	331.39	8.01	-69.03
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300006872867	1	43	0.0	-76.58	330.73	8.02	-68.56
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872868	0	48	0.0	-71.76	348.60	6.86	-64.90
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872868	1	48	0.0	-72.93	344.54	7.39	-65.54
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872869	0	49	0.0	-72.34	354.95	9.30	-63.04
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872869	1	49	0.0	-72.42	354.92	9.30	-63.12
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300006872870	0	46	0.0	-71.69	351.41	9.13	-62.56
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300006872870	1	46	0.0	-71.03	355.44	8.59	-62.44
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300006872871	0	53	0.0	-74.97	379.89	9.48	-65.49
CC(C)(C)[N@H+]1CCCC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300006872871	1	53	0.0	-72.34	383.55	8.94	-63.40
COC1=CC(C(=O)[O-])=NC(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)=C1	REAL300006872872	0	49	0.0	-56.74	370.80	5.69	-51.05
COC1=CC(C(=O)[O-])=NC(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)=C1	REAL300006872872	1	49	0.0	-56.74	370.81	5.68	-51.06
CN1C(C(=O)[O-])=CC=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872873	0	47	0.0	-72.95	341.47	7.82	-65.13
CN1C(C(=O)[O-])=CC=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872873	1	47	0.0	-72.01	345.67	7.30	-64.71
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300006872874	0	52	0.0	-71.08	386.53	9.67	-61.41
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300006872874	1	52	0.0	-71.22	386.54	9.66	-61.56
CC1=NNC(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)=C1C(=O)[O-]	REAL300006872875	0	46	0.0	-74.96	334.44	6.44	-68.52
CC1=NNC(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)=C1C(=O)[O-]	REAL300006872875	1	46	0.0	-73.14	338.49	5.90	-67.24
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300006872876	0	50	0.0	-60.79	376.57	8.55	-52.24
CC(C)(C)[N@H+]1CCCC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300006872876	1	50	0.0	-71.23	372.97	9.12	-62.11
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CSC(C(=O)[O-])=N2)C1	REAL300006872877	0	42	0.0	-51.97	328.59	5.75	-46.22
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CSC(C(=O)[O-])=N2)C1	REAL300006872877	1	42	0.0	-56.31	332.61	5.24	-51.07
CC1=C(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C=C(C(=O)[O-])S1	REAL300006872878	0	46	0.0	-58.02	349.35	8.47	-49.55
CC1=C(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C=C(C(=O)[O-])S1	REAL300006872878	1	46	0.0	-58.11	348.17	8.46	-49.65
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300006872879	0	46	0.0	-73.66	368.74	9.20	-64.46
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300006872879	1	46	0.0	-73.65	368.72	9.20	-64.45
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)=C1	REAL300006872880	0	50	0.0	-76.13	376.64	8.31	-67.82
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)=C1	REAL300006872880	1	50	0.0	-74.30	380.65	7.78	-66.52
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872881	0	49	0.0	-61.36	362.85	8.92	-52.44
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872881	1	49	0.0	-62.89	366.88	8.38	-54.51
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300006872882	0	49	0.0	-81.14	374.09	9.89	-71.25
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300006872882	1	49	0.0	-81.20	374.08	9.89	-71.31
CC(C)(C)[N@@H+]1CCCC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300006872883	0	51	0.0	-73.08	376.59	7.54	-65.54
CC(C)(C)[N@H+]1CCCC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300006872883	1	51	0.0	-71.64	372.57	8.08	-63.56
CC(C)(C)[N@@H+]1CCCC(NC(=O)C23CC(C(=O)[O-])(C2)CO3)C1	REAL300006872884	0	48	0.0	-65.03	353.18	5.66	-59.37
CC(C)(C)[N@H+]1CCCC(NC(=O)C23CC(C(=O)[O-])(C2)CO3)C1	REAL300006872884	1	48	0.0	-64.86	352.79	5.67	-59.19
CC(C)(C)[N@@H+]1CCCC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872885	0	50	0.0	-76.86	373.44	9.81	-67.05
CC(C)(C)[N@H+]1CCCC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300006872885	1	50	0.0	-76.88	373.44	9.81	-67.07
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006872886	0	53	0.0	-52.66	373.87	8.80	-43.86
CC(C)(C)[N@H+]1CCCC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006872886	1	53	0.0	-54.01	376.48	8.99	-45.02
CN1N=CC(C(=O)[O-])=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872887	0	46	0.0	-66.11	344.91	6.03	-60.08
CN1N=CC(C(=O)[O-])=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872887	1	46	0.0	-64.11	344.85	6.03	-58.08
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300006872888	0	47	0.0	-62.54	368.12	7.10	-55.44
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300006872888	1	47	0.0	-59.26	364.08	7.63	-51.63
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300006872889	0	47	0.0	-73.93	364.28	7.77	-66.16
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300006872889	1	47	0.0	-73.93	364.26	7.77	-66.16
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300006872890	0	47	0.0	-61.53	355.45	6.77	-54.76
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300006872890	1	47	0.0	-61.61	355.43	6.77	-54.84
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872891	0	49	0.0	-80.85	349.10	9.19	-71.66
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872891	1	49	0.0	-78.38	353.11	8.65	-69.73
CC(C)(C)[N@@H+]1CCCC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300006872892	0	49	0.0	-77.77	369.22	8.03	-69.74
CC(C)(C)[N@H+]1CCCC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300006872892	1	49	0.0	-77.26	373.23	7.50	-69.76
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300006872893	0	43	0.0	-77.17	332.13	7.63	-69.54
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300006872893	1	43	0.0	-75.94	336.18	7.10	-68.84
CC(C)(C)[N@@H+]1CCCC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300006872894	0	51	0.0	-66.50	363.23	6.39	-60.11
CC(C)(C)[N@H+]1CCCC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300006872894	1	51	0.0	-63.90	356.06	7.26	-56.64
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300006872895	0	52	0.0	-80.42	374.90	10.69	-69.73
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300006872895	1	52	0.0	-79.00	378.96	10.16	-68.84
CC(C)[C@]1(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C[C@H]1C(=O)[O-]	REAL300006872896	0	52	0.0	-74.46	371.98	8.19	-66.27
CC(C)[C@]1(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C[C@H]1C(=O)[O-]	REAL300006872896	1	52	0.0	-52.51	369.05	8.39	-44.12
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300006872897	0	52	0.0	-84.25	384.74	9.27	-74.98
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300006872897	1	52	0.0	-86.89	380.28	9.76	-77.13
CC(C)(C)[N@@H+]1CCCC(NC(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300006872898	0	46	0.0	-78.24	359.18	7.90	-70.34
CC(C)(C)[N@H+]1CCCC(NC(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300006872898	1	46	0.0	-80.98	355.13	8.43	-72.55
CC(C)(C)[N@@H+]1CCCC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300006872899	0	49	0.0	-88.26	368.13	9.32	-78.94
CC(C)(C)[N@H+]1CCCC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300006872899	1	49	0.0	-85.03	372.15	8.78	-76.25
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300006872900	0	53	0.0	-65.44	391.95	9.63	-55.81
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300006872900	1	53	0.0	-65.42	391.95	9.63	-55.79
CC(C)(C)[N@@H+]1CCCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300006872901	0	56	0.0	-74.02	386.52	9.00	-65.02
CC(C)(C)[N@H+]1CCCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300006872901	1	56	0.0	-74.72	382.50	9.52	-65.20
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC(CC(F)(F)F)=CS2)C1	REAL300006872981	1	42	0.0	-51.16	362.61	6.50	-44.66
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC(CC(F)(F)F)=CS2)C1	REAL300006872981	1	42	0.0	-50.97	362.17	6.47	-44.50
CC1=CC=C(OCCN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006873107	0	50	0.0	-46.81	385.19	9.80	-37.01
CC1=CC=C(OCCN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006873107	1	50	0.0	-47.85	385.08	9.81	-38.04
NS(=O)(=O)C1=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCN2N=C1	REAL300006873233	0	46	0.0	-63.21	370.32	1.43	-61.78
NS(=O)(=O)C1=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCN2N=C1	REAL300006873233	1	46	0.0	-64.00	370.15	1.44	-62.56
COC1=CC=C2C(=C1)CCN2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006873337	0	45	0.0	-46.54	334.49	8.46	-38.08
COC1=CC=C2C(=C1)CCN2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006873337	1	45	0.0	-43.30	332.59	8.00	-35.30
COC1=CC(F)=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300006873455	0	48	0.0	-48.79	374.90	6.62	-42.17
COC1=CC(F)=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300006873455	1	48	0.0	-51.61	381.10	6.64	-44.97
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C=C2)CCCC1	REAL300006874824	0	57	0.0	-78.03	432.40	13.10	-64.93
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C=C2)CCCC1	REAL300006874824	1	57	0.0	-73.47	431.00	13.01	-60.46
O=C([O-])C1(C2=CC=C(NC(=O)C3CC[NH+](C4CC4)CC3)C=C2)CCCC1	REAL300006875571	0	54	0.0	-79.15	397.22	11.19	-67.96
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@@H+]3C3CC3)C=C2)CCCC1	REAL300006875596	0	51	0.0	-70.32	385.01	10.84	-59.48
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@H+]3C3CC3)C=C2)CCCC1	REAL300006875596	1	51	0.0	-70.95	380.02	10.70	-60.25
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C4(C(=O)[O-])CCCC4)C=C3)CN21	REAL300006875602	1	52	0.0	-71.15	394.83	11.05	-60.10
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006875676	1	50	0.0	-74.62	359.98	9.76	-64.86
C[N@H+]1CCCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006875676	1	50	0.0	-75.45	359.66	9.74	-65.71
CC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)N1CC[NH+](C)CC1	REAL300006875677	1	55	0.0	-78.31	400.69	8.18	-70.13
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006875714	1	50	0.0	-73.30	369.11	9.94	-63.36
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006875714	1	50	0.0	-72.64	359.76	9.75	-62.89
C[NH+]1CCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006875791	0	50	0.0	-83.08	371.45	9.99	-73.09
O=C([O-])C1(C2=CC=C(NC(=O)C3=CN4C=[NH+]C=C4C=C3)C=C2)CCCC1	REAL300006875821	0	45	0.0	-79.62	357.61	11.85	-67.77
C[NH+](C)CC1(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CCCCC1	REAL300006875852	0	59	0.0	-80.73	412.82	11.58	-69.15
C[N@H+](CCC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1CCCCC1	REAL300006875857	0	59	0.0	-79.62	425.53	11.94	-67.68
C[N@@H+](CCC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1CCCCC1	REAL300006875857	1	59	0.0	-81.27	425.82	11.93	-69.34
C[N@@H+]1CCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006875873	0	47	0.0	-76.54	347.45	8.90	-67.64
C[N@H+]1CCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006875873	1	47	0.0	-72.72	347.12	8.89	-63.83
C[NH+]1CCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006875924	0	50	0.0	-83.08	371.45	9.99	-73.09
O=C([O-])C1(C2=CC=C(NC(=O)C3CCCC[N@@H+]3C3CCCC3)C=C2)CCCC1	REAL300006875943	0	60	0.0	-72.97	419.83	12.28	-60.69
O=C([O-])C1(C2=CC=C(NC(=O)C3CCCC[N@H+]3C3CCCC3)C=C2)CCCC1	REAL300006875943	1	60	0.0	-71.84	424.91	12.17	-59.67
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006875977	1	51	0.0	-76.43	398.44	11.25	-65.18
O=C([O-])C1(C2=CC=C(NC(=O)CCCC[NH+]3CCOCC3)C=C2)CCCC1	REAL300006875978	1	57	0.0	-82.15	425.40	9.93	-72.22
C[C@@H](C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[NH+](C)C	REAL300006875984	0	46	0.0	-75.16	344.72	8.80	-66.36
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006875985	0	47	0.0	-76.00	347.31	8.90	-67.10
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006875985	1	47	0.0	-71.50	353.86	9.33	-62.17
C[C@H](C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[NH+](C)C	REAL300006875989	0	46	0.0	-75.27	345.33	8.78	-66.49
C[NH+](C)C1(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006875997	1	47	0.0	-76.13	353.93	8.90	-67.23
O=C([O-])C1(C2=CC=C(NC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C=C2)CCCC1	REAL300006876038	0	57	0.0	-79.23	432.11	12.80	-66.43
O=C([O-])C1(C2=CC=C(NC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C=C2)CCCC1	REAL300006876038	1	57	0.0	-81.31	431.00	12.73	-68.58
CCC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[NH+](CC)CC	REAL300006876061	0	55	0.0	-69.65	391.15	10.77	-58.88
CC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300006876063	0	56	0.0	-78.52	422.27	12.35	-66.17
CC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006876063	1	56	0.0	-84.75	421.98	12.36	-72.39
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C=N1	REAL300006876091	0	52	0.0	-86.33	401.40	10.34	-75.99
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876096	0	61	0.0	-78.66	445.37	12.26	-66.40
CC[N@H+](C)C(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1=CC=CC=C1	REAL300006876097	1	56	0.0	-71.74	414.84	12.29	-59.45
CC[N@@H+](C)C(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1=CC=CC=C1	REAL300006876097	1	56	0.0	-75.94	415.54	12.26	-63.68
C[N@@H+]1CCOC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006876099	1	48	0.0	-91.55	365.06	8.71	-82.84
C[N@H+]1CCOC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006876099	1	48	0.0	-76.43	357.97	8.53	-67.90
CC[NH+](CC)C(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1=CC=CC=C1	REAL300006876101	0	59	0.0	-71.41	424.88	12.54	-58.87
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876111	1	51	0.0	-77.80	393.01	11.11	-66.69
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C=C2)CCCC1	REAL300006876123	0	57	0.0	-84.47	430.32	13.00	-71.47
C[NH+](C)CC1(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006876132	0	50	0.0	-75.42	379.30	10.14	-65.28
C[NH+](C)CCCCC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876138	0	52	0.0	-80.58	392.49	10.49	-70.09
CC(C)C(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[NH+](C)C	REAL300006876146	0	52	0.0	-73.64	376.27	10.43	-63.21
CC1=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300006876156	1	51	0.0	-85.01	402.03	10.22	-74.79
O=C([O-])C1(C2=CC=C(NC(=O)C3=NOC(C[NH+]4CCCC4)=C3)C=C2)CCCC1	REAL300006876172	1	53	0.0	-82.50	410.85	10.43	-72.07
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C=C1	REAL300006876173	0	56	0.0	-97.05	428.02	12.70	-84.35
CCC[N@H+](C)CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876193	0	49	0.0	-77.41	366.70	9.75	-67.66
CCC[N@@H+](C)CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876193	1	49	0.0	-75.76	366.35	9.77	-65.99
C[N@H+](CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1CCC1	REAL300006876215	0	50	0.0	-74.61	373.69	10.32	-64.29
C[N@@H+](CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1CCC1	REAL300006876215	1	50	0.0	-74.11	373.55	10.31	-63.80
C[N@H+](CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)CC(C)(C)C	REAL300006876241	0	55	0.0	-77.43	397.59	10.93	-66.50
C[N@@H+](CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)CC(C)(C)C	REAL300006876241	1	55	0.0	-75.08	397.63	10.92	-64.16
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876243	0	56	0.0	-79.27	426.25	12.78	-66.49
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876243	1	56	0.0	-80.67	426.60	12.77	-67.90
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876244	0	60	0.0	-80.38	455.38	8.97	-71.41
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876244	1	60	0.0	-80.99	455.30	8.96	-72.03
CC[C@@H](C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[NH+](C)C	REAL300006876248	0	49	0.0	-73.26	357.49	9.34	-63.92
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006876250	0	54	0.0	-77.94	387.31	8.41	-69.53
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006876250	1	54	0.0	-70.86	397.44	8.58	-62.28
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876271	0	58	0.0	-83.95	431.09	12.12	-71.83
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876271	1	58	0.0	-76.89	430.84	12.10	-64.79
O=C([O-])C1(C2=CC=C(NC(=O)C34CCC[NH+]3CCC4)C=C2)CCCC1	REAL300006876282	0	51	0.0	-76.42	371.59	10.28	-66.14
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC4=C[NH+]=CN4C=C3)C=C2)CCCC1	REAL300006876290	1	45	0.0	-86.10	357.88	11.87	-74.23
C[N@H+](CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1CCSC1	REAL300006876301	1	51	0.0	-88.04	386.85	10.60	-77.44
C[N@@H+](CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1CCSC1	REAL300006876301	1	51	0.0	-81.10	386.72	10.58	-70.52
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006876318	0	61	0.0	-78.23	442.47	9.52	-68.71
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006876318	1	61	0.0	-80.53	439.13	9.32	-71.21
O=C([O-])C1(C2=CC=C(NC(=O)C3CCCC4CCC[N@@H+]43)C=C2)CCCC1	REAL300006876319	0	54	0.0	-78.27	383.13	10.91	-67.36
O=C([O-])C1(C2=CC=C(NC(=O)C3CCCC4CCC[N@H+]43)C=C2)CCCC1	REAL300006876319	1	54	0.0	-72.07	383.16	10.88	-61.19
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C=N1	REAL300006876321	0	53	0.0	-84.89	411.44	9.84	-75.05
CC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006876336	1	57	0.0	-78.55	422.67	12.90	-65.65
CC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006876336	1	57	0.0	-76.57	422.38	12.84	-63.73
CCCC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[NH+](C)C	REAL300006876353	0	52	0.0	-75.33	382.11	10.59	-64.74
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)=N1	REAL300006876367	0	53	0.0	-93.60	412.14	9.85	-83.75
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876368	0	53	0.0	-82.80	402.94	10.21	-72.59
C[C@@H]1[C@H](C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC[N@@H+]1C	REAL300006876371	0	50	0.0	-81.02	364.90	9.55	-71.47
C[C@@H]1[C@H](C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC[N@H+]1C	REAL300006876371	1	50	0.0	-77.05	369.63	9.74	-67.31
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876373	1	54	0.0	-73.61	413.43	11.55	-62.06
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC[N@@H+]1C	REAL300006876376	0	53	0.0	-77.42	383.58	10.04	-67.38
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC[N@H+]1C	REAL300006876376	1	53	0.0	-79.18	389.15	10.37	-68.81
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)=NN1	REAL300006876378	1	54	0.0	-81.62	412.01	9.38	-72.24
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)=NN1	REAL300006876378	1	54	0.0	-81.39	413.68	9.40	-71.99
C#CC[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876379	1	49	0.0	-71.26	373.73	10.10	-61.16
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876379	1	49	0.0	-80.38	379.54	10.69	-69.69
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)O1	REAL300006876385	1	51	0.0	-82.12	379.19	9.42	-72.70
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)O1	REAL300006876385	1	51	0.0	-76.18	378.55	9.26	-66.92
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C=C2)CCCC1	REAL300006876391	1	56	0.0	-83.09	421.60	10.92	-72.17
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C=C2)CCCC1	REAL300006876391	1	56	0.0	-77.86	427.07	11.18	-66.68
O=C([O-])C1(C2=CC=C(NC(=O)C[NH+]3CCCC3)C=C2)CCCC1	REAL300006876393	0	47	0.0	-76.49	351.42	9.36	-67.13
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876395	1	45	0.0	-79.13	356.79	9.99	-69.14
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876397	0	54	0.0	-70.32	397.65	9.19	-61.13
CC1CC[NH+](CC(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006876416	0	53	0.0	-78.55	390.47	10.82	-67.73
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006876427	1	51	0.0	-75.44	375.14	9.17	-66.27
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006876427	1	51	0.0	-81.14	382.47	9.36	-71.78
O=C([O-])C1(C2=CC=C(NC(=O)C3CC[N@@H+](C4CCCCC4)C3)C=C2)CCCC1	REAL300006876463	0	60	0.0	-74.58	433.06	12.28	-62.30
O=C([O-])C1(C2=CC=C(NC(=O)C3CC[N@H+](C4CCCCC4)C3)C=C2)CCCC1	REAL300006876463	1	60	0.0	-79.88	434.13	12.25	-67.63
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876469	0	53	0.0	-77.61	394.89	10.84	-66.77
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876469	1	53	0.0	-75.16	389.24	10.37	-64.79
O=C([O-])C1(C2=CC=C(NC(=O)C34CCC[NH+](CCC3)C4)C=C2)CCCC1	REAL300006876481	0	54	0.0	-78.47	384.92	10.52	-67.95
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876483	1	51	0.0	-80.23	374.96	6.50	-73.73
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876483	1	51	0.0	-78.31	374.90	6.53	-71.78
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC4CCCC[N@@H+]43)C=C2)CCCC1	REAL300006876484	0	54	0.0	-70.78	394.98	11.31	-59.47
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC4CCCC[N@H+]43)C=C2)CCCC1	REAL300006876484	1	54	0.0	-74.31	388.12	10.82	-63.49
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876491	0	57	0.0	-76.47	408.07	9.43	-67.04
CC[NH+](CC)CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876506	0	49	0.0	-75.25	362.77	9.67	-65.58
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006876508	0	56	0.0	-81.13	402.90	10.95	-70.18
O=C([O-])C1(C2=CC=C(NC(=O)C34CC[NH+](CC3)C4)C=C2)CCCC1	REAL300006876588	0	48	0.0	-81.51	358.96	8.88	-72.63
CCC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[NH+](C)C	REAL300006876591	0	49	0.0	-74.80	360.61	9.82	-64.98
O=C([O-])C1(C2=CC=C(NC(=O)C34CC[N@H+](C3)CCC4)C=C2)CCCC1	REAL300006876599	0	51	0.0	-79.72	369.29	9.56	-70.16
O=C([O-])C1(C2=CC=C(NC(=O)C34CC[N@@H+](C3)CCC4)C=C2)CCCC1	REAL300006876599	1	51	0.0	-76.12	369.59	9.57	-66.55
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876643	0	53	0.0	-74.52	384.71	10.36	-64.16
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)=C1	REAL300006876644	0	53	0.0	-81.20	405.48	11.83	-69.37
C[NH+](C)C1(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CCC1	REAL300006876679	0	50	0.0	-77.02	361.51	10.35	-66.67
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006876702	0	52	0.0	-83.30	396.12	11.15	-72.15
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876704	0	56	0.0	-73.31	408.72	11.34	-61.97
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876704	1	56	0.0	-74.79	399.00	11.14	-63.65
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876705	0	53	0.0	-63.71	398.41	12.09	-51.62
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006876707	0	58	0.0	-79.77	425.23	8.97	-70.80
CCN1CC[NH+](CCC(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006876707	1	58	0.0	-79.35	425.73	9.00	-70.35
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876708	0	49	0.0	-74.45	361.89	9.53	-64.92
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876708	1	49	0.0	-75.02	361.94	9.56	-65.46
CC(C)C(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[NH+]1CCCCC1	REAL300006876709	0	59	0.0	-70.20	415.62	11.83	-58.37
C[NH+](C)C(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1=CC=CC=C1	REAL300006876710	1	53	0.0	-71.60	402.11	11.82	-59.78
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876717	1	54	0.0	-73.10	412.88	11.50	-61.60
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@@H+]3C3CCCC3)C=C2)CCCC1	REAL300006876723	0	57	0.0	-73.53	414.49	11.92	-61.61
O=C([O-])C1(C2=CC=C(NC(=O)C3CCC[N@H+]3C3CCCC3)C=C2)CCCC1	REAL300006876723	1	57	0.0	-78.79	406.48	11.69	-67.10
CC[N@H+](CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1CC1	REAL300006876725	0	50	0.0	-73.62	373.75	10.32	-63.30
CC[N@@H+](CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)C1CC1	REAL300006876725	1	50	0.0	-75.02	373.04	10.36	-64.66
CC(C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[NH+]1CCCCCC1	REAL300006876749	0	56	0.0	-71.96	398.54	11.10	-60.86
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876752	0	47	0.0	-73.13	353.44	9.35	-63.78
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876752	1	47	0.0	-76.84	347.51	8.88	-67.96
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876825	0	49	0.0	-75.47	366.08	8.08	-67.39
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)O1	REAL300006876827	0	56	0.0	-84.73	427.51	11.48	-73.25
O=C([O-])C1(C2=CC=C(NC(=O)CCCC[NH+]3CCCC3)C=C2)CCCC1	REAL300006876828	0	56	0.0	-80.48	418.79	11.66	-68.82
C[N@H+](CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)CC1=CC=CC=C1	REAL300006876830	1	53	0.0	-82.63	404.08	11.92	-70.71
C[N@@H+](CC(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)CC1=CC=CC=C1	REAL300006876830	1	53	0.0	-81.00	404.10	11.92	-69.08
CC(C)[C@@H](C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1)[NH+](C)C	REAL300006876840	0	52	0.0	-75.10	375.92	10.44	-64.66
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)=NO1	REAL300006876883	1	49	0.0	-83.98	385.22	9.32	-74.66
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876897	0	53	0.0	-71.28	386.42	10.41	-60.87
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006876897	1	53	0.0	-72.07	379.19	10.30	-61.77
C[NH+]1CCC(OCC(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006876917	0	54	0.0	-84.86	407.08	10.35	-74.51
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C=C2)CCCC1	REAL300006876921	0	57	0.0	-86.76	433.60	12.04	-74.72
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877085	0	56	0.0	-70.41	404.71	11.53	-58.88
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877085	1	56	0.0	-75.97	411.53	11.35	-64.62
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006877113	0	56	0.0	-72.10	411.03	11.49	-60.61
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C2(C(=O)[O-])CCCC2)C=C1	REAL300006877113	1	56	0.0	-74.40	401.75	11.47	-62.93
O=C([O-])C1(C2=CC=C(NC(=O)C[NH+]3CCC(CO)CC3)C=C2)CCCC1	REAL300006877114	1	54	0.0	-77.12	400.73	7.52	-69.60
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877314	0	56	0.0	-69.37	400.26	11.33	-58.04
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877314	1	56	0.0	-69.81	399.86	11.31	-58.50
C[N@@H+]1CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C(C(F)(F)F)C1	REAL300006877315	0	50	0.0	-83.04	382.94	9.80	-73.24
C[N@H+]1CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C(C(F)(F)F)C1	REAL300006877315	1	50	0.0	-81.55	384.52	9.81	-71.74
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)N1	REAL300006877338	1	51	0.0	-72.85	397.36	9.63	-63.22
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)=C1	REAL300006877770	0	56	0.0	-82.15	427.97	12.66	-69.49
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C=C1	REAL300006877776	0	57	0.0	-95.20	435.32	11.63	-83.57
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877906	0	50	0.0	-79.20	377.05	10.09	-69.11
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300006877910	0	56	0.0	-70.15	400.02	11.03	-59.12
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C4(C(=O)[O-])CCCC4)C=C3)=CN21	REAL300006877913	0	48	0.0	-76.10	379.04	11.63	-64.47
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877972	0	59	0.0	-76.90	428.55	12.05	-64.85
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877972	1	59	0.0	-77.92	427.80	12.07	-65.85
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877973	0	53	0.0	-69.93	382.01	10.76	-59.17
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877973	1	53	0.0	-69.98	383.68	10.81	-59.17
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877978	0	50	0.0	-75.94	372.36	9.96	-65.98
C[N@H+]1CCCC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877978	1	50	0.0	-68.86	365.49	10.14	-58.72
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)O1	REAL300006877980	1	50	0.0	-87.57	390.94	10.07	-77.50
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877986	0	59	0.0	-80.11	417.15	11.45	-68.66
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300006877986	1	59	0.0	-79.65	417.49	11.45	-68.20
O=C([O-])C1(C2=CC=C(NC(=O)C34CC(C3)CN4C3CC3)C=C2)CCCC1	REAL300006877989	0	52	0.0	-75.78	384.65	11.48	-64.30
O=C([O-])C1(C2=CC=C(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)C=C2)CCCC1	REAL300006877989	1	52	0.0	-74.37	383.80	11.00	-63.37
O=C([O-])C1(C2=CC=C(NC(=O)C34CC(C3)C[N@H+]4C3CC3)C=C2)CCCC1	REAL300006877989	1	52	0.0	-75.78	384.65	11.48	-64.30
CC1=CC=C(C23CC2CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C3)C=C1	REAL300006878097	0	51	0.0	-45.08	381.93	11.12	-33.96
CC1=CC=C(C23CC2CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C3)C=C1	REAL300006878097	1	51	0.0	-44.89	381.87	11.41	-33.48
COC1=CC=CC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)=C1	REAL300006878285	0	54	0.0	-51.70	420.49	10.74	-40.96
COC1=CC=CC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)=C1	REAL300006878285	1	54	0.0	-52.47	421.69	10.78	-41.69
CS(=O)(=O)C1=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)SC=C1	REAL300006878400	1	43	0.0	-59.17	352.16	4.76	-54.41
CS(=O)(=O)C1=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)SC=C1	REAL300006878400	1	43	0.0	-60.77	358.40	4.78	-55.99
O=C([O-])C[C@H]1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006879709	0	50	0.0	-72.85	378.24	10.67	-62.18
O=C([O-])C[C@H]1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006880483	0	47	0.0	-60.68	354.87	9.66	-51.02
O=C([O-])C[C@H]1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006880483	1	47	0.0	-61.86	357.05	10.08	-51.78
O=C([O-])C[C@H]1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300006881191	1	47	0.0	-63.35	371.38	10.18	-53.17
O=C([O-])C[C@H]1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300006881191	1	47	0.0	-62.15	371.77	10.20	-51.95
O=C([O-])C[C@H]1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300006881262	0	50	0.0	-66.26	376.61	10.68	-55.58
CC1=NC(C[NH+]2CCC(C(=O)N3CC[C@H](CC(=O)[O-])C3)CC2)=CS1	REAL300006881323	1	49	0.0	-71.92	386.00	8.49	-63.43
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300006881380	0	53	0.0	-71.53	412.23	10.41	-61.12
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300006881393	0	53	0.0	-81.65	406.70	12.18	-69.47
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300006881393	1	53	0.0	-82.66	406.69	12.18	-70.48
CC1(C(=O)N2CC[C@H](CC(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006881394	0	53	0.0	-66.81	381.01	10.62	-56.19
O=C([O-])C[C@H]1CCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006881432	0	50	0.0	-70.15	382.86	10.14	-60.01
O=C([O-])C[C@H]1CCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006881432	1	50	0.0	-66.59	384.48	10.31	-56.28
O=C([O-])C[C@H]1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300006881486	1	50	0.0	-63.52	382.24	10.79	-52.73
O=C([O-])C[C@H]1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300006881486	1	50	0.0	-64.61	380.44	10.73	-53.88
O=C([O-])C[C@H]1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300006881487	1	47	0.0	-64.20	361.05	9.73	-54.47
O=C([O-])C[C@H]1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300006881487	1	47	0.0	-62.98	361.45	9.75	-53.23
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300006881535	0	43	0.0	-84.90	341.68	7.72	-77.18
C[NH+](C)CCN1N=CC(C(=O)N2CC[C@H](CC(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300006881540	0	53	0.0	-83.19	405.58	9.95	-73.24
O=C([O-])C[C@H]1CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300006881564	0	50	0.0	-58.57	351.33	9.77	-48.80
O=C([O-])C[C@H]1CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300006881564	1	50	0.0	-57.95	351.97	9.33	-48.62
O=C([O-])C[C@H]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300006881565	0	51	0.0	-72.46	369.48	7.77	-64.69
CC[N@H+](CC1=CC=C(C(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1)C(C)C	REAL300006881587	0	52	0.0	-83.53	378.70	10.16	-73.37
CC[N@@H+](CC1=CC=C(C(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1)C(C)C	REAL300006881587	1	52	0.0	-86.40	369.90	9.88	-76.52
O=C([O-])C[C@H]1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006881608	0	47	0.0	-67.99	357.27	9.85	-58.14
O=C([O-])C[C@H]1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006881608	1	47	0.0	-68.05	359.35	9.94	-58.11
O=C([O-])C[C@H]1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300006881609	0	48	0.0	-75.49	361.72	9.40	-66.09
C[NH+]1CCN(C(C(=O)N2CC[C@H](CC(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300006881630	1	52	0.0	-65.49	384.44	7.93	-57.56
O=C([O-])C[C@H]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300006881631	0	51	0.0	-66.96	354.91	7.50	-59.46
CC(C(=O)N1CC[C@H](CC(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300006881634	0	46	0.0	-64.51	350.39	9.51	-55.00
CC(C(=O)N1CC[C@H](CC(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006881634	1	46	0.0	-63.65	351.29	9.56	-54.09
O=C([O-])C[C@H]1CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300006881641	0	53	0.0	-62.97	391.34	11.69	-51.28
O=C([O-])C[C@H]1CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300006881641	1	53	0.0	-63.97	391.54	11.61	-52.36
O=C([O-])C[C@H]1CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300006881678	0	51	0.0	-59.20	377.56	6.93	-52.27
CC[N@H+](C)C(C(=O)N1CC[C@H](CC(=O)[O-])C1)C1=CC=CC=C1	REAL300006881679	0	46	0.0	-57.77	346.98	9.52	-48.25
CC[N@@H+](C)C(C(=O)N1CC[C@H](CC(=O)[O-])C1)C1=CC=CC=C1	REAL300006881679	1	46	0.0	-59.95	344.21	9.49	-50.46
CC[NH+](CC)C(C(=O)N1CC[C@H](CC(=O)[O-])C1)C1=CC=CC=C1	REAL300006881684	0	49	0.0	-58.90	355.33	10.07	-48.83
C[NH+](C)C(C(=O)N1CC[C@H](CC(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300006881687	1	43	0.0	-62.70	342.62	9.33	-53.37
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300006881701	0	47	0.0	-86.54	354.81	9.74	-76.80
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300006881707	0	50	0.0	-77.00	372.26	10.45	-66.55
CCC(C(=O)N1CC[C@H](CC(=O)[O-])C1)[N@@H+]1CCOC(CC)C1	REAL300006881710	1	50	0.0	-61.75	356.92	7.64	-54.11
CCC(C(=O)N1CC[C@H](CC(=O)[O-])C1)[N@H+]1CCOC(CC)C1	REAL300006881710	1	50	0.0	-62.54	362.23	7.67	-54.87
CCN1CCC([NH+]2CCC(C(=O)N3CC[C@H](CC(=O)[O-])C3)CC2)CC1	REAL300006881713	0	58	0.0	-70.37	413.21	8.46	-61.91
CC1C[NH+](CC2=CC=C(C(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2)CC(C)O1	REAL300006881719	1	54	0.0	-89.57	409.41	9.67	-79.90
O=C([O-])C[C@H]1CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006881730	1	51	0.0	-75.84	392.96	10.22	-65.62
O=C([O-])C[C@H]1CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006881730	1	51	0.0	-76.62	385.73	10.15	-66.47
O=C([O-])C[C@H]1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006881745	0	50	0.0	-62.66	367.91	10.44	-52.22
O=C([O-])C[C@H]1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006881745	1	50	0.0	-61.21	367.73	10.45	-50.76
CC1=C(C(=O)N2CC[C@H](CC(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300006881747	1	41	0.0	-82.67	326.49	7.04	-75.63
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300006881755	0	50	0.0	-86.75	371.53	10.45	-76.30
O=C([O-])C[C@H]1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300006881766	1	43	0.0	-79.66	340.16	7.92	-71.74
C[NH+](C)CCC1=CC=C(C(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300006881767	0	46	0.0	-88.76	356.61	9.57	-79.19
O=C([O-])C[C@H]1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006881774	1	48	0.0	-71.37	367.20	9.47	-61.90
O=C([O-])C[C@H]1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006881774	1	48	0.0	-65.70	359.86	9.30	-56.40
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006881778	0	57	0.0	-65.88	414.69	11.33	-54.55
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006881778	1	57	0.0	-63.94	414.68	11.26	-52.68
CC(C(=O)N1CC[C@H](CC(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006881786	0	56	0.0	-61.87	414.75	12.01	-49.86
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006881818	0	46	0.0	-67.58	357.27	10.07	-57.51
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006881818	1	46	0.0	-67.53	357.27	10.06	-57.47
COCCOCC[N@H+](C)CCC(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006881819	0	50	0.0	-68.29	386.82	6.29	-62.00
COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006881819	1	50	0.0	-68.86	386.87	6.29	-62.57
O=C([O-])C[C@H]1CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006881828	0	55	0.0	-72.84	412.46	9.80	-63.04
O=C([O-])C[C@H]1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300006881829	1	49	0.0	-67.91	362.71	8.71	-59.20
O=C([O-])C[C@H]1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300006881829	1	49	0.0	-65.21	371.05	8.98	-56.23
O=C([O-])C[C@H]1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300006881830	1	49	0.0	-61.00	369.76	8.87	-52.13
O=C([O-])C[C@H]1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300006881830	1	49	0.0	-63.04	369.50	8.83	-54.21
CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H](CC(=O)[O-])C2)CC1	REAL300006881857	0	51	0.0	-67.10	370.13	6.59	-60.51
CC(C)N1CC[NH+](CCC(=O)N2CC[C@H](CC(=O)[O-])C2)CC1	REAL300006881857	1	51	0.0	-67.34	370.34	6.66	-60.68
CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H](CC(=O)[O-])C2)CC1	REAL300006881858	0	54	0.0	-66.86	395.54	7.64	-59.22
CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H](CC(=O)[O-])C2)CC1	REAL300006881858	1	54	0.0	-69.07	394.85	7.63	-61.44
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CC[NH+](CC)C(C(=O)N1CC[C@H](CC(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300006882120	0	52	0.0	-65.09	395.81	10.77	-54.32
O=C([O-])C[C@H]1CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300006882144	1	48	0.0	-58.07	366.90	10.37	-47.70
CC(C)C(C(=O)N1CC[C@H](CC(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006882145	1	53	0.0	-59.05	370.38	7.98	-51.07
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2)CC1	REAL300006882222	0	55	0.0	-87.35	394.04	8.70	-78.65
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006882262	0	50	0.0	-68.75	379.16	10.69	-58.06
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006882262	1	50	0.0	-71.92	379.48	10.52	-61.40
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300006882278	0	51	0.0	-84.85	400.29	10.06	-74.79
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006882294	0	47	0.0	-81.90	360.60	9.19	-72.71
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC[C@H](CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006882320	0	49	0.0	-68.67	367.68	8.66	-60.01
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC[C@H](CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006882320	1	49	0.0	-65.83	367.12	8.66	-57.17
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C[NH+](C)CCC1=CC=CC(C(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300006882961	0	46	0.0	-80.89	352.48	9.42	-71.47
C[NH+](C)CCOC1=CC=C(C(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300006882965	0	47	0.0	-86.45	359.93	8.36	-78.09
O=C([O-])C[C@H]1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006883030	0	53	0.0	-70.33	398.40	11.60	-58.73
CC1C[N@H+](CC2=CC=C(C(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2)CCO1	REAL300006883032	1	51	0.0	-89.32	384.23	8.78	-80.54
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2)CCO1	REAL300006883032	1	51	0.0	-88.23	388.69	8.95	-79.28
CN1C=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300006883183	0	47	0.0	-49.57	371.05	9.20	-40.37
CN1C=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300006883183	1	47	0.0	-49.57	371.05	9.20	-40.37
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300006884935	0	52	0.0	-74.70	395.87	10.50	-64.20
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](OC4=CC=CC=C4)C[C@H]3C(=O)[O-])CN12	REAL300006884958	1	50	0.0	-68.31	393.71	10.31	-58.00
CC(C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])N1CC[NH+](C)CC1	REAL300006885017	1	53	0.0	-75.31	394.04	7.30	-68.01
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885045	0	48	0.0	-65.08	364.46	9.30	-55.78
C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885045	1	48	0.0	-66.05	351.52	8.80	-57.25
C[NH+]1CCC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885100	0	48	0.0	-78.33	366.58	9.10	-69.23
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300006885127	0	43	0.0	-72.84	359.03	11.73	-61.11
C[NH+](C)CC1(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CCCCC1	REAL300006885152	0	57	0.0	-58.73	389.27	10.86	-47.87
C[N@H+](CCC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300006885156	0	57	0.0	-71.77	423.26	11.56	-60.21
C[N@@H+](CCC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300006885156	1	57	0.0	-70.82	423.41	11.53	-59.29
C[N@@H+]1CCCC1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885169	0	45	0.0	-58.34	340.73	8.20	-50.14
C[N@H+]1CCCC1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885169	1	45	0.0	-68.74	344.13	8.31	-60.43
C[NH+]1CCC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885216	0	48	0.0	-78.33	366.58	9.10	-69.23
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885257	1	49	0.0	-70.22	395.11	11.15	-59.07
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300006885258	1	55	0.0	-78.71	422.38	9.83	-68.88
C[C@@H](C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[NH+](C)C	REAL300006885262	0	44	0.0	-66.43	341.02	8.13	-58.30
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885263	0	45	0.0	-57.93	340.13	8.17	-49.76
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885263	1	45	0.0	-61.07	346.12	8.57	-52.50
C[C@H](C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[NH+](C)C	REAL300006885266	0	44	0.0	-62.47	341.52	8.33	-54.14
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006885297	0	55	0.0	-72.78	424.24	12.08	-60.70
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006885297	1	55	0.0	-71.05	427.12	12.15	-58.90
CCC(C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[NH+](CC)CC	REAL300006885322	0	53	0.0	-56.87	387.41	10.16	-46.71
CC(C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006885324	0	54	0.0	-68.38	419.91	11.66	-56.72
CC(C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006885324	1	54	0.0	-63.26	417.71	11.94	-51.32
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=N1	REAL300006885342	0	50	0.0	-62.17	389.57	8.58	-53.59
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885345	0	59	0.0	-72.82	441.96	12.17	-60.65
C[N@@H+]1CCOC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300006885347	1	46	0.0	-76.67	350.74	7.77	-68.90
C[N@H+]1CCOC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300006885347	1	46	0.0	-88.62	358.14	8.26	-80.36
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885355	1	49	0.0	-60.24	387.60	10.84	-49.40
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006885367	0	55	0.0	-60.36	417.54	11.62	-48.74
C[NH+](C)CC1(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885373	0	48	0.0	-58.05	373.66	9.22	-48.83
C[NH+](C)CCCCC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885378	0	50	0.0	-77.84	389.47	10.38	-67.46
CC1=C(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006885395	1	49	0.0	-83.69	394.46	9.38	-74.31
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006885404	1	51	0.0	-80.62	404.68	10.57	-70.05
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300006885405	0	54	0.0	-92.19	420.42	12.22	-79.97
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885410	1	47	0.0	-63.91	373.19	8.89	-55.02
CCC[N@H+](C)CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885415	0	47	0.0	-63.16	363.35	9.55	-53.61
CCC[N@@H+](C)CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885415	1	47	0.0	-63.71	364.24	9.29	-54.42
C[N@H+](CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CCC1	REAL300006885429	0	48	0.0	-60.01	370.34	10.13	-49.88
C[N@@H+](CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CCC1	REAL300006885429	1	48	0.0	-61.95	371.24	9.88	-52.07
CC(C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[NH+]1CCSCC1	REAL300006885448	1	49	0.0	-65.87	378.08	9.37	-56.50
C[N@H+](CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])CC(C)(C)C	REAL300006885450	0	53	0.0	-62.83	392.82	10.31	-52.52
C[N@@H+](CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])CC(C)(C)C	REAL300006885450	1	53	0.0	-63.19	393.97	10.69	-52.50
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885452	0	54	0.0	-66.29	424.15	12.31	-53.98
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885452	1	54	0.0	-65.62	423.26	12.59	-53.03
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885453	0	58	0.0	-71.29	451.31	8.81	-62.48
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885453	1	58	0.0	-70.71	451.30	8.81	-61.90
CC[C@@H](C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[NH+](C)C	REAL300006885456	0	47	0.0	-63.30	350.70	8.61	-54.69
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300006885458	0	52	0.0	-71.53	390.56	8.35	-63.18
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300006885458	1	52	0.0	-61.21	395.78	8.29	-52.92
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885470	0	56	0.0	-64.21	427.84	11.90	-52.31
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885470	1	56	0.0	-64.76	428.74	11.63	-53.13
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300006885485	1	43	0.0	-80.80	359.11	11.76	-69.04
C[N@H+](CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CCSC1	REAL300006885493	0	49	0.0	-64.86	383.70	10.38	-54.48
C[N@@H+](CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CCSC1	REAL300006885493	1	49	0.0	-66.99	383.40	10.38	-56.61
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885508	0	59	0.0	-74.04	438.47	9.36	-64.68
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885508	1	59	0.0	-69.56	435.96	9.22	-60.34
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300006885509	0	52	0.0	-57.68	387.73	10.68	-47.00
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300006885509	1	52	0.0	-59.75	386.71	10.26	-49.49
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=N1	REAL300006885511	0	51	0.0	-83.50	403.52	9.40	-74.10
CC(C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006885520	1	55	0.0	-64.76	421.34	12.13	-52.63
CC(C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006885520	1	55	0.0	-60.56	423.24	12.01	-48.55
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300006885545	0	51	0.0	-91.85	404.80	9.93	-81.92
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885546	0	51	0.0	-64.52	397.46	9.26	-55.26
C[C@@H]1[C@H](C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC[N@@H+]1C	REAL300006885548	0	48	0.0	-77.11	361.13	8.99	-68.12
C[C@@H]1[C@H](C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC[N@H+]1C	REAL300006885548	1	48	0.0	-78.44	367.44	9.01	-69.43
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885549	1	52	0.0	-65.67	410.07	11.40	-54.27
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC[N@@H+]1C	REAL300006885552	0	51	0.0	-77.29	376.69	9.27	-68.02
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC[N@H+]1C	REAL300006885552	1	51	0.0	-77.16	384.88	9.61	-67.55
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=NN1	REAL300006885554	1	52	0.0	-84.02	407.71	9.20	-74.82
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=NN1	REAL300006885554	1	52	0.0	-79.49	400.94	8.96	-70.53
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])O1	REAL300006885559	1	49	0.0	-55.90	371.28	8.63	-47.27
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])O1	REAL300006885559	1	49	0.0	-77.43	373.76	8.66	-68.77
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C[NH+]1CCCC1	REAL300006885565	0	45	0.0	-63.05	347.37	9.19	-53.86
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885567	1	43	0.0	-60.97	352.55	9.76	-51.21
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885569	1	52	0.0	-72.43	394.29	8.25	-64.18
CC1CC[NH+](CC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885588	0	51	0.0	-63.31	385.70	10.58	-52.73
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300006885599	1	49	0.0	-76.19	370.04	8.45	-67.74
CC[N@H+]1CCOC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300006885599	1	49	0.0	-57.30	369.99	8.41	-48.89
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006885628	0	58	0.0	-72.37	426.02	11.54	-60.83
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006885628	1	58	0.0	-72.37	426.57	11.46	-60.91
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885634	0	51	0.0	-70.67	385.46	10.23	-60.44
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885634	1	51	0.0	-73.38	386.65	10.54	-62.84
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300006885645	0	52	0.0	-59.61	388.47	10.55	-49.06
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300006885645	1	52	0.0	-58.36	384.85	10.06	-48.30
CC[NH+](CC)CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885664	0	47	0.0	-62.57	354.85	9.18	-53.39
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885666	0	54	0.0	-75.23	400.87	10.28	-64.95
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C12CC[NH+](CC1)C2	REAL300006885731	0	46	0.0	-77.68	351.02	7.96	-69.72
CCC(C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[NH+](C)C	REAL300006885734	0	47	0.0	-63.45	351.32	8.56	-54.89
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300006885741	0	49	0.0	-75.79	360.59	8.61	-67.18
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300006885741	1	49	0.0	-77.79	357.28	8.87	-68.92
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885776	0	51	0.0	-60.21	382.13	10.12	-50.09
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300006885777	0	51	0.0	-80.75	398.10	11.11	-69.64
C#CC[NH+]1CCC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885820	0	50	0.0	-79.25	391.23	10.24	-69.01
CC[NH+]1CCN(CCC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885822	0	56	0.0	-75.86	421.22	8.81	-67.05
CCN1CC[NH+](CCC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885822	1	56	0.0	-70.05	422.72	8.89	-61.16
CC(C)[N@H+](C)CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885823	0	47	0.0	-60.68	359.33	9.09	-51.59
CC(C)[N@@H+](C)CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885823	1	47	0.0	-61.43	358.54	9.34	-52.09
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885827	1	52	0.0	-65.28	409.64	11.39	-53.89
CC[N@H+](CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CC1	REAL300006885833	0	48	0.0	-61.13	365.77	9.75	-51.38
CC[N@@H+](CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CC1	REAL300006885833	1	48	0.0	-60.95	369.59	10.08	-50.87
CC(C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[NH+]1CCCCCC1	REAL300006885855	0	54	0.0	-62.21	393.94	10.13	-52.08
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885858	0	45	0.0	-65.21	350.19	8.59	-56.62
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885858	1	45	0.0	-68.84	343.38	8.26	-60.58
CC(C)(C)[NH2+]CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885917	0	47	0.0	-61.75	363.91	7.61	-54.14
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])O1	REAL300006885919	0	54	0.0	-80.53	418.37	10.87	-69.66
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CCCC[NH+]1CCCC1	REAL300006885920	0	54	0.0	-76.53	415.33	11.17	-65.36
C[N@H+](CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300006885922	1	51	0.0	-66.84	401.67	11.44	-55.40
C[N@@H+](CC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300006885922	1	51	0.0	-67.37	401.72	11.48	-55.89
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006885946	1	46	0.0	-82.12	376.95	9.28	-72.84
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=NO1	REAL300006885965	1	47	0.0	-82.05	379.31	9.42	-72.63
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885977	0	51	0.0	-58.54	368.03	9.44	-49.10
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006885977	1	51	0.0	-61.41	386.84	10.08	-51.33
C[NH+]1CCC(OCC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300006885992	0	52	0.0	-83.47	404.08	10.13	-73.34
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006885996	0	55	0.0	-81.05	426.27	11.87	-69.18
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300006886121	0	54	0.0	-58.45	395.50	10.56	-47.89
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300006886121	1	54	0.0	-62.74	398.50	11.00	-51.74
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300006886143	1	52	0.0	-64.01	396.51	7.25	-56.76
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300006886296	0	54	0.0	-59.54	393.04	10.32	-49.22
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300006886296	1	54	0.0	-70.89	400.90	10.22	-60.67
C[N@@H+]1CC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006886297	0	48	0.0	-68.71	373.88	9.60	-59.11
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C[NH+](C)CCC1=CC=CC(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)=C1	REAL300006892056	0	56	0.0	-80.28	422.85	11.24	-69.04
C[NH+](C)CCOC1=CC=C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C=C1	REAL300006892063	0	57	0.0	-85.71	430.15	10.20	-75.51
O=C([O-])C1CCC2(CC(NC(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)C2)CC1	REAL300006892160	0	63	0.0	-74.87	461.94	12.85	-62.02
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C1	REAL300006892206	0	50	0.0	-75.62	371.90	8.64	-66.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)CC1	REAL300006892210	0	56	0.0	-67.96	392.96	9.56	-58.40
CC(C)C[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C1	REAL300006892280	0	59	0.0	-72.72	421.82	10.59	-62.13
CC(C)C[N@H+]1CCCC(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C1	REAL300006892280	1	59	0.0	-72.72	421.82	10.59	-62.13
CC[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C1	REAL300006892281	0	53	0.0	-74.52	382.91	9.15	-65.37
CC[N@H+]1CCCC(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C1	REAL300006892281	1	53	0.0	-74.52	382.91	9.15	-65.37
C[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C1	REAL300006892285	0	50	0.0	-67.33	359.00	8.69	-58.64
C[N@H+]1CCCC(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C1	REAL300006892285	1	50	0.0	-67.33	359.00	8.69	-58.64
CN(C)CC1=CC=C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)O1	REAL300006892287	0	50	0.0	-84.27	386.73	8.73	-75.54
C[NH+](C)CC1=CC=C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)O1	REAL300006892287	1	50	0.0	-84.27	386.73	8.73	-75.54
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C1	REAL300006892293	0	59	0.0	-76.34	410.68	9.97	-66.37
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C1	REAL300006892293	1	59	0.0	-76.34	410.68	9.97	-66.37
O=C([O-])C1CCC2(CC(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)CC1	REAL300006892296	0	52	0.0	-73.69	375.67	9.96	-63.73
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CC2(C1)CC1CCC2C1	REAL300006892364	0	51	0.0	-47.29	360.37	9.31	-37.98
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(C=CCO3)CC2)C1	REAL300006892473	0	49	0.0	-43.00	345.03	8.34	-34.66
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(C=CCO3)CC2)C1	REAL300006892473	1	49	0.0	-43.00	345.03	8.34	-34.66
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CC3)C3=CC=CC=C32)C1	REAL300006892576	0	48	0.0	-49.45	355.35	11.17	-38.28
CC(C)OC1=CC=CC=C1[C@@H](C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006892687	0	53	0.0	-50.18	395.11	9.24	-40.94
CC(C)C1COCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300006892795	0	50	0.0	-46.39	357.08	7.81	-38.58
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300006892905	0	47	0.0	-49.38	374.06	8.06	-41.32
CN1C(C)(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS1(=O)=O	REAL300006893030	0	48	0.0	-52.69	369.53	3.74	-48.95
CN1C(C)(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCS1(=O)=O	REAL300006893030	1	48	0.0	-53.25	369.83	3.63	-49.62
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC2CC(F)F)C1	REAL300006893195	0	44	0.0	-51.89	331.01	6.58	-45.31
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC2CC(F)F)C1	REAL300006893195	1	44	0.0	-49.38	323.09	6.54	-42.84
CC1=C2C(=CC=C1)C(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)=CN2C	REAL300006893310	0	53	0.0	-52.30	400.65	10.37	-41.93
CC1=C2C(=CC=C1)C(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)=CN2C	REAL300006893310	1	53	0.0	-52.97	406.86	10.39	-42.58
O=C([O-])C1=COC2=C1CN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300006894696	0	48	0.0	-67.36	381.60	10.35	-57.01
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300006895465	0	45	0.0	-74.38	357.42	9.37	-65.01
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300006895465	1	45	0.0	-76.89	360.42	9.77	-67.12
O=C([O-])C1=COC2=C1CN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300006896385	0	42	0.0	-82.30	334.50	8.24	-74.06
CC1=[NH+]C=C2CCC(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)CN12	REAL300006896412	1	40	0.0	-74.01	328.90	7.87	-66.14
O=C([O-])C1=COC2=C1CN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300006896413	0	48	0.0	-76.84	370.02	9.62	-67.22
CC1=NC(C[NH+]2CCC(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)CC2)=CS1	REAL300006896489	1	47	0.0	-88.64	388.70	8.10	-80.54
CC(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)N1CC[NH+](C)CC1	REAL300006896490	1	43	0.0	-80.81	336.67	5.19	-75.62
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=C1	REAL300006896574	0	51	0.0	-83.77	414.86	10.08	-73.69
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=C1	REAL300006896587	0	51	0.0	-85.49	409.73	11.90	-73.59
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=C1	REAL300006896587	1	51	0.0	-86.42	409.68	11.89	-74.53
CC1(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006896588	0	51	0.0	-75.40	384.02	10.36	-65.04
C[NH+](C)CC1(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CCCCC1	REAL300006896671	0	47	0.0	-78.91	335.38	8.39	-70.52
C[N@H+](CCC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)C1CCCCC1	REAL300006896675	0	47	0.0	-83.41	359.20	8.91	-74.50
C[N@@H+](CCC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)C1CCCCC1	REAL300006896675	1	47	0.0	-83.37	359.20	8.92	-74.45
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300006896701	1	45	0.0	-83.57	364.74	9.69	-73.88
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300006896701	1	45	0.0	-78.23	363.80	9.42	-68.81
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300006896758	0	41	0.0	-86.34	343.90	7.45	-78.89
C[NH+](C)CCN1N=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=C1C1=CC=CC=C1	REAL300006896763	0	51	0.0	-85.21	412.29	9.71	-75.50
O=C([O-])C1=COC2=C1CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300006896787	0	48	0.0	-74.95	353.64	9.43	-65.52
O=C([O-])C1=COC2=C1CN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300006896787	1	48	0.0	-73.19	349.09	8.85	-64.34
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300006896788	0	49	0.0	-87.35	372.61	7.43	-79.92
CC1=[NH+]C=CN1CCCC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006896819	1	39	0.0	-78.64	331.77	8.23	-70.41
O=C([O-])C1=COC2=C1CN(C(=O)CCCC[NH+]1CCOCC1)C2	REAL300006896820	1	45	0.0	-85.71	359.06	6.91	-78.80
CC[N@H+](CC1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=C1)C(C)C	REAL300006896822	0	50	0.0	-85.63	380.94	9.89	-75.74
CC[N@@H+](CC1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=C1)C(C)C	REAL300006896822	1	50	0.0	-85.29	372.75	9.50	-75.79
O=C([O-])C1=COC2=C1CN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006896847	0	45	0.0	-82.20	359.22	9.47	-72.73
O=C([O-])C1=COC2=C1CN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006896847	1	45	0.0	-82.95	361.31	9.59	-73.36
O=C([O-])C1=COC2=C1CN(C(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300006896848	0	46	0.0	-90.99	364.42	9.05	-81.94
C[NH+]1CCN(C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C2=CC=CC=C2)CC1	REAL300006896877	1	50	0.0	-69.46	382.59	7.43	-62.03
O=C([O-])C1=COC2=C1CN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2	REAL300006896878	0	49	0.0	-82.14	357.53	7.16	-74.98
CC(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)[N@H+](C)CC1=CC=CC=C1	REAL300006896881	0	44	0.0	-79.63	353.48	9.19	-70.44
CC(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)[N@@H+](C)CC1=CC=CC=C1	REAL300006896881	1	44	0.0	-78.64	354.11	9.21	-69.43
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300006896892	0	51	0.0	-74.93	394.20	11.35	-63.58
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300006896892	1	51	0.0	-80.51	394.25	11.15	-69.36
C[NH+](C)CC1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=N1	REAL300006896921	0	40	0.0	-86.81	328.78	6.46	-80.35
CCC[NH+](CCC)CCCC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006896932	0	49	0.0	-82.13	383.36	9.54	-72.59
O=C([O-])C1=COC2=C1CN(C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C2	REAL300006896933	1	49	0.0	-75.22	383.94	7.02	-68.20
CC[N@H+](C)C(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)C1=CC=CC=C1	REAL300006896934	0	44	0.0	-71.82	349.65	9.22	-62.60
CC[N@@H+](C)C(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)C1=CC=CC=C1	REAL300006896934	1	44	0.0	-71.85	349.89	9.22	-62.63
CC[NH+](CC)C(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)C1=CC=CC=C1	REAL300006896939	0	47	0.0	-75.10	358.90	9.95	-65.15
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006896945	1	39	0.0	-74.02	326.45	8.03	-65.99
C[NH+](C)C(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)C1=CC=C(Cl)C=C1	REAL300006896947	1	41	0.0	-77.24	345.89	9.03	-68.21
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300006896961	0	45	0.0	-88.52	357.83	9.46	-79.06
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300006896968	0	48	0.0	-90.84	374.59	10.16	-80.68
CCN1CCC([NH+]2CCC(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)CC2)CC1	REAL300006896975	0	56	0.0	-85.55	415.45	8.10	-77.45
CC1C[NH+](CC2=CC=C(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)C=C2)CC(C)O1	REAL300006896982	1	52	0.0	-92.08	407.91	9.19	-82.89
O=C([O-])C1=COC2=C1CN(C(=O)CC1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006896994	1	49	0.0	-90.36	395.08	9.87	-80.49
O=C([O-])C1=COC2=C1CN(C(=O)CC1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006896994	1	49	0.0	-93.65	388.35	9.82	-83.83
O=C([O-])C1=COC2=C1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300006897008	0	48	0.0	-75.61	365.66	9.90	-65.71
O=C([O-])C1=COC2=C1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300006897008	1	48	0.0	-75.69	365.64	9.91	-65.78
CC1=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=NN1C1=CC=[NH+]C=C1	REAL300006897010	1	39	0.0	-85.89	330.59	6.77	-79.12
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300006897018	0	48	0.0	-89.02	374.58	10.17	-78.85
O=C([O-])C1=COC2=C1CN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300006897030	1	41	0.0	-83.16	342.59	7.58	-75.58
C[NH+](C)CCC1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=C1	REAL300006897031	0	44	0.0	-90.09	355.51	9.16	-80.93
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897042	1	37	0.0	-71.21	309.93	5.87	-65.34
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897050	0	55	0.0	-71.87	424.16	11.30	-60.57
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897050	1	55	0.0	-69.34	416.93	11.12	-58.22
CC(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006897058	0	54	0.0	-76.56	417.21	11.70	-64.86
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897101	0	44	0.0	-83.14	359.93	9.74	-73.40
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897101	1	44	0.0	-83.12	359.93	9.74	-73.38
COCCOCC[N@H+](C)CCC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897102	0	48	0.0	-82.63	388.93	5.93	-76.70
COCCOCC[N@@H+](C)CCC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897102	1	48	0.0	-83.93	388.98	5.95	-77.98
C[N@@H+]1CCCC(O)(CC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C1	REAL300006897106	0	42	0.0	-79.90	328.25	5.79	-74.11
C[N@H+]1CCCC(O)(CC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C1	REAL300006897106	1	42	0.0	-80.76	318.53	5.61	-75.15
O=C([O-])C1=COC2=C1CN(C(=O)CCC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300006897115	0	53	0.0	-87.65	415.09	9.46	-78.19
CCCCCC[N@H+](C)CC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897119	0	46	0.0	-80.79	364.52	9.06	-71.73
CCCCCC[N@@H+](C)CC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897119	1	46	0.0	-80.86	364.56	9.05	-71.81
C[N@H+](CC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)C1CCSC1	REAL300006897147	0	39	0.0	-84.24	320.28	7.53	-76.71
C[N@@H+](CC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)C1CCSC1	REAL300006897147	1	39	0.0	-83.45	320.07	7.54	-75.91
CC(C)[NH+]1CCN(CCC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CC1	REAL300006897161	0	49	0.0	-80.42	376.15	6.49	-73.93
CC(C)[NH+]1CCN(CCCC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CC1	REAL300006897162	0	52	0.0	-78.37	397.65	7.30	-71.07
CC(C)N1CC[NH+](CCCC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CC1	REAL300006897162	1	52	0.0	-83.13	394.14	7.10	-76.03
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O=C([O-])C1=COC2=C1CN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300006897163	1	42	0.0	-74.10	312.37	7.36	-66.74
C[NH+](C)CCN1C=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=N1	REAL300006897165	0	41	0.0	-86.66	339.14	6.38	-80.28
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)CC2)=C1	REAL300006897172	0	53	0.0	-87.55	415.00	9.32	-78.23
O=C([O-])C1=COC2=C1CN(C(=O)CC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300006897174	0	50	0.0	-87.73	393.59	8.66	-79.07
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300006897178	0	47	0.0	-84.76	376.74	8.60	-76.16
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300006897178	1	47	0.0	-67.90	376.69	8.51	-59.39
CC(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006897183	1	45	0.0	-59.95	355.91	9.62	-50.33
CC(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)[N@H+]1CCC2=CC=CC=C2C1	REAL300006897183	1	45	0.0	-58.92	358.35	9.64	-49.28
O=C([O-])C1=COC2=C1CN(C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006897211	0	48	0.0	-86.43	383.73	10.46	-75.97
O=C([O-])C1=COC2=C1CN(C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006897211	1	48	0.0	-87.22	385.59	10.53	-76.69
C[NH+](C)CCN1C=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=N1	REAL300006897224	0	41	0.0	-91.07	342.70	6.93	-84.14
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897225	0	41	0.0	-69.51	334.56	6.45	-63.06
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897231	1	42	0.0	-74.30	346.75	8.53	-65.77
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=NN1	REAL300006897234	1	42	0.0	-84.10	338.23	6.11	-77.99
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=NN1	REAL300006897234	1	42	0.0	-82.04	336.67	5.91	-76.13
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300006897246	0	48	0.0	-84.83	388.26	10.43	-74.40
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300006897246	1	48	0.0	-78.14	377.74	10.54	-67.60
CC(C[NH+]1CCOCC1)C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897251	1	42	0.0	-75.20	328.54	5.86	-69.34
O=C([O-])C1=COC2=C1CN(C(=O)CC[NH+]1CCN(C3=CC=CC=N3)CC1)C2	REAL300006897252	0	49	0.0	-87.38	391.35	8.07	-79.31
O=C([O-])C1=COC2=C1CN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300006897304	0	48	0.0	-79.60	362.51	9.00	-70.60
O=C([O-])C1=COC2=C1CN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300006897304	1	48	0.0	-80.66	360.70	8.97	-71.69
O=C([O-])C1=COC2=C1CN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300006897323	0	42	0.0	-79.92	307.52	6.94	-72.98
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300006897327	0	42	0.0	-74.69	321.24	7.74	-66.95
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300006897327	1	42	0.0	-72.87	325.09	8.05	-64.82
O=C([O-])C1=COC2=C1CN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300006897329	0	53	0.0	-84.96	410.70	9.36	-75.60
O=C([O-])C1=COC2=C1CN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300006897329	1	53	0.0	-84.62	412.58	9.43	-75.19
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897336	0	45	0.0	-63.68	333.68	5.87	-57.81
CC(C)[N@@H+]1CCC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C(C2=CN(C)N=C2)C1	REAL300006897341	0	54	0.0	-68.48	414.17	8.70	-59.78
CC(C)[N@H+]1CCC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C(C2=CN(C)N=C2)C1	REAL300006897341	1	54	0.0	-79.89	400.21	8.38	-71.51
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=N1	REAL300006897342	0	48	0.0	-71.41	387.02	8.03	-63.38
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=N1	REAL300006897342	1	48	0.0	-86.02	373.07	7.71	-78.31
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)=C2)CC1	REAL300006897347	0	50	0.0	-84.92	391.65	7.72	-77.20
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)C=C2)CC1	REAL300006897348	0	50	0.0	-85.40	390.77	7.55	-77.85
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)C=C2)CC1	REAL300006897348	1	50	0.0	-89.90	391.11	7.61	-82.29
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=C1	REAL300006897349	0	51	0.0	-85.72	394.14	9.16	-76.56
CC(C)[NH+]1CCC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CC1	REAL300006897355	0	44	0.0	-62.61	336.03	7.76	-54.85
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C(C[NH+]3CCC(CO)CC3)C=C1)C2	REAL300006897468	0	52	0.0	-91.47	406.26	7.47	-84.00
C[NH+](C)CC1=CC=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=C1	REAL300006897472	0	41	0.0	-91.36	332.35	8.28	-83.08
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006897473	0	48	0.0	-81.20	373.36	10.51	-70.69
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006897473	1	48	0.0	-80.84	381.86	10.39	-70.45
C#CC[NH+]1CCC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CC1	REAL300006897535	0	40	0.0	-65.98	330.53	8.02	-57.96
CCC[N@@H+]1CCCCC1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897537	0	44	0.0	-73.56	341.04	8.23	-65.33
CCC[N@H+]1CCCCC1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897537	1	44	0.0	-73.11	339.92	8.19	-64.92
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897539	0	41	0.0	-66.93	332.98	8.39	-58.54
CC[NH+]1CCN(CCC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CC1	REAL300006897541	0	46	0.0	-81.90	359.41	5.98	-75.92
CCN1CC[NH+](CCC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CC1	REAL300006897541	1	46	0.0	-83.14	358.24	5.84	-77.30
CC(C)C(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)[NH+]1CCCCC1	REAL300006897543	0	47	0.0	-74.66	346.66	9.01	-65.65
C[NH+](C)C(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)C1=CC=CC=C1	REAL300006897544	1	41	0.0	-73.30	329.24	8.51	-64.79
O=C([O-])C1=COC2=C1CN(C(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006897548	0	46	0.0	-79.39	373.16	6.69	-72.70
O=C([O-])C1=COC2=C1CN(C(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006897548	1	46	0.0	-80.04	372.59	6.69	-73.35
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897554	1	42	0.0	-73.81	346.25	8.48	-65.33
C[NH+](C)CC1=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)OC2=CC=CC=C21	REAL300006897555	0	44	0.0	-66.91	357.21	9.09	-57.82
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300006897560	0	45	0.0	-77.78	335.61	8.93	-68.85
O=C([O-])C1=COC2=C1CN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300006897560	1	45	0.0	-74.18	342.67	8.58	-65.60
CC(C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)[NH+]1CCCCCC1	REAL300006897590	0	44	0.0	-73.48	329.14	7.65	-65.83
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)=CC=C1N2	REAL300006897624	1	46	0.0	-92.79	367.73	8.70	-84.09
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)=CC=C1N2	REAL300006897624	1	46	0.0	-92.71	367.72	8.71	-84.00
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)O1	REAL300006897681	0	44	0.0	-83.09	358.43	8.43	-74.66
O=C([O-])C1=COC2=C1CN(C(=O)CCCC[NH+]1CCCC1)C2	REAL300006897682	0	44	0.0	-82.22	352.12	8.64	-73.58
CC1=CC=C(N2CCC(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)CC2)[NH+]=C1	REAL300006897684	1	47	0.0	-80.74	374.68	8.25	-72.49
C[N@H+](CC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)CC1=CC=CC=C1	REAL300006897685	1	41	0.0	-84.41	337.50	8.89	-75.52
C[N@@H+](CC(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2)CC1=CC=CC=C1	REAL300006897685	1	41	0.0	-84.43	337.50	8.90	-75.53
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)C=C2)CC1	REAL300006897689	0	53	0.0	-86.01	401.03	8.69	-77.32
O=C([O-])C1=COC2=C1CN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300006897703	1	36	0.0	-85.19	314.13	6.32	-78.87
C[NH+](C)CC1=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=NO1	REAL300006897732	1	37	0.0	-84.46	317.22	6.44	-78.02
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897738	0	48	0.0	-82.50	381.85	10.37	-72.13
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897738	1	48	0.0	-82.33	381.33	10.33	-72.00
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=C1	REAL300006897759	0	49	0.0	-87.09	402.60	9.73	-77.36
C[NH+]1CCC(OCC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CC1	REAL300006897775	0	42	0.0	-87.35	340.71	7.45	-79.90
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300006897781	0	45	0.0	-84.86	363.14	8.86	-76.00
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)[C@@H](C(F)(F)F)C1	REAL300006897822	0	47	0.0	-83.76	370.24	8.31	-75.45
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)[C@@H](C(F)(F)F)C1	REAL300006897822	1	47	0.0	-77.33	369.34	8.33	-69.00
CCC[N@@H+]1CCCC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C1	REAL300006897964	0	44	0.0	-80.85	344.61	8.19	-72.66
CCC[N@H+]1CCCC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C1	REAL300006897964	1	44	0.0	-59.38	333.99	8.32	-51.06
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897996	0	44	0.0	-76.95	332.59	8.52	-68.43
CC(C)C[N@H+]1CCCC1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006897996	1	44	0.0	-76.83	332.63	8.49	-68.34
O=C([O-])C1=COC2=C1CN(C(=O)C[NH+]1CCC(CO)CC1)C2	REAL300006897999	1	42	0.0	-80.71	334.21	4.48	-76.23
O=C([O-])C1=COC2=C1CN(C(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)C2	REAL300006898093	0	49	0.0	-85.51	384.71	10.52	-74.99
O=C([O-])C1=COC2=C1CN(C(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)C2	REAL300006898093	1	49	0.0	-61.95	386.16	10.52	-51.43
CC(C)[N@@H+]1CCCC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C1	REAL300006898219	0	44	0.0	-78.41	339.10	7.96	-70.45
CC(C)[N@H+]1CCCC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C1	REAL300006898219	1	44	0.0	-74.34	331.08	8.13	-66.21
C[N@@H+]1CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C(C(F)(F)F)C1	REAL300006898220	0	38	0.0	-89.12	320.50	6.86	-82.26
C[N@H+]1CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C(C(F)(F)F)C1	REAL300006898220	1	38	0.0	-84.13	319.17	6.84	-77.29
CC1=C(C)[NH+]=C(CCC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)N1	REAL300006898246	1	39	0.0	-75.44	331.03	6.61	-68.83
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=C1	REAL300006898703	0	44	0.0	-91.28	355.52	9.14	-82.14
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=C1	REAL300006898709	0	45	0.0	-87.59	362.81	8.09	-79.50
O=C([O-])C1=COC2=C1CN(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300006898797	0	51	0.0	-82.74	400.47	11.26	-71.48
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)C=C2)CCO1	REAL300006898799	1	49	0.0	-91.69	387.11	8.51	-83.18
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)C=C2)CCO1	REAL300006898799	1	49	0.0	-91.74	387.17	8.51	-83.23
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)CC1	REAL300006898839	0	44	0.0	-73.58	328.58	7.74	-65.84
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C1	REAL300006898904	0	47	0.0	-80.46	362.06	8.90	-71.56
CC(C)C[N@H+]1CCCC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C1	REAL300006898904	1	47	0.0	-80.46	362.06	8.90	-71.56
CN(C)CC1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)O1	REAL300006898909	0	38	0.0	-85.86	321.55	6.99	-78.87
C[NH+](C)CC1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)O1	REAL300006898909	1	38	0.0	-85.86	321.55	6.99	-78.87
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C1	REAL300006898914	0	47	0.0	-90.91	336.63	7.36	-83.55
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C1	REAL300006898914	1	47	0.0	-90.91	336.63	7.36	-83.55
O=C([O-])C1=COC2=C1CN(C(=O)C13CC(C1)CN3C1CC1)C2	REAL300006898917	0	40	0.0	-76.01	312.29	8.71	-67.30
O=C([O-])C1=COC2=C1CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300006898917	1	40	0.0	-75.25	314.46	7.76	-67.49
O=C([O-])C1=COC2=C1CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300006898917	1	40	0.0	-75.25	314.46	7.76	-67.49
O=C([O-])C1COCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006900240	0	51	0.0	-80.52	379.00	9.31	-71.21
O=C([O-])C1COCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006901017	0	48	0.0	-67.26	361.26	8.73	-58.53
O=C([O-])C1COCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006901017	1	48	0.0	-62.92	355.63	8.31	-54.61
O=C([O-])C1COCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300006901819	1	48	0.0	-66.23	371.94	8.87	-57.36
O=C([O-])C1COCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300006901819	1	48	0.0	-70.58	379.07	9.30	-61.28
CC1=[NH+]C=C2CCC(C(=O)N3CCOCC(C(=O)[O-])C3)CN21	REAL300006901911	1	43	0.0	-66.60	323.42	6.66	-59.94
O=C([O-])C1COCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300006901912	0	51	0.0	-42.20	377.44	9.06	-33.14
CC1=NC(C[NH+]2CCC(C(=O)N3CCOCC(C(=O)[O-])C3)CC2)=CS1	REAL300006901977	1	50	0.0	-80.24	386.33	7.05	-73.19
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCOCC(C(=O)[O-])C2)C=C1	REAL300006902055	0	54	0.0	-81.05	413.60	9.02	-72.03
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOCC(C(=O)[O-])C2)=C1	REAL300006902069	0	54	0.0	-66.15	408.47	10.86	-55.29
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOCC(C(=O)[O-])C2)=C1	REAL300006902069	1	54	0.0	-81.54	413.52	10.97	-70.57
CC1(C(=O)N2CCOCC(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006902070	0	54	0.0	-64.75	385.84	9.37	-55.38
C[NH+](C)CC1(C(=O)N2CCOCC(C(=O)[O-])C2)CCCCC1	REAL300006902153	0	50	0.0	-78.72	334.30	7.75	-70.97
C[N@H+](CCC(=O)N1CCOCC(C(=O)[O-])C1)C1CCCCC1	REAL300006902156	0	50	0.0	-73.32	357.95	7.85	-65.47
C[N@@H+](CCC(=O)N1CCOCC(C(=O)[O-])C1)C1CCCCC1	REAL300006902156	1	50	0.0	-73.01	357.95	7.86	-65.15
O=C([O-])C1COCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300006902180	1	51	0.0	-71.82	374.56	9.03	-62.79
O=C([O-])C1COCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300006902180	1	51	0.0	-69.20	381.33	9.34	-59.86
O=C([O-])C1COCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300006902181	1	48	0.0	-66.97	361.62	8.42	-58.55
O=C([O-])C1COCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300006902181	1	48	0.0	-71.56	368.75	8.84	-62.72
O=C([O-])C1COCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300006902235	0	44	0.0	-81.22	349.42	6.55	-74.67
C[NH+](C)CCN1N=CC(C(=O)N2CCOCC(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300006902240	0	54	0.0	-81.96	419.99	8.82	-73.14
O=C([O-])C1COCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300006902266	0	51	0.0	-61.39	353.51	7.91	-53.48
O=C([O-])C1COCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300006902266	1	51	0.0	-63.09	347.54	7.79	-55.30
O=C([O-])C1COCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300006902267	0	52	0.0	-80.83	370.20	6.39	-74.44
O=C([O-])C1COCCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300006902295	1	48	0.0	-78.31	357.80	5.85	-72.46
CC[N@H+](CC1=CC=C(C(=O)N2CCOCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300006902297	0	53	0.0	-81.73	382.31	8.83	-72.90
CC[N@@H+](CC1=CC=C(C(=O)N2CCOCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300006902297	1	53	0.0	-82.08	377.07	8.58	-73.50
O=C([O-])C1COCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006902321	0	48	0.0	-72.99	360.62	8.52	-64.47
O=C([O-])C1COCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006902321	1	48	0.0	-72.88	363.63	8.65	-64.23
O=C([O-])C1COCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300006902322	0	49	0.0	-81.96	362.03	8.01	-73.95
C[NH+]1CCN(C(C(=O)N2CCOCC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300006902345	1	53	0.0	-65.28	384.75	6.48	-58.80
O=C([O-])C1COCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300006902346	0	52	0.0	-72.98	355.58	6.14	-66.84
CC(C(=O)N1CCOCC(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300006902349	0	47	0.0	-69.69	353.91	8.18	-61.51
CC(C(=O)N1CCOCC(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006902349	1	47	0.0	-69.14	353.52	8.21	-60.93
O=C([O-])C1COCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300006902359	0	54	0.0	-77.89	401.43	10.15	-67.74
O=C([O-])C1COCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300006902359	1	54	0.0	-64.00	393.04	10.39	-53.61
C[NH+](C)CC1=CC=C(C(=O)N2CCOCC(C(=O)[O-])C2)C=N1	REAL300006902390	0	43	0.0	-54.06	330.45	5.80	-48.26
CCC[NH+](CCC)CCCC(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902401	0	52	0.0	-73.91	377.62	8.18	-65.73
O=C([O-])C1COCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300006902402	1	52	0.0	-65.40	382.98	5.97	-59.43
CC[N@H+](C)C(C(=O)N1CCOCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006902403	0	47	0.0	-60.41	347.34	8.12	-52.29
CC[N@@H+](C)C(C(=O)N1CCOCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006902403	1	47	0.0	-62.20	337.05	7.85	-54.35
CC[NH+](CC)C(C(=O)N1CCOCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006902408	0	50	0.0	-64.32	352.74	8.36	-55.96
C[NH+](C)C(C(=O)N1CCOCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300006902414	1	44	0.0	-65.65	345.91	8.00	-57.65
O=C([O-])C1COCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300006902428	0	48	0.0	-84.36	362.74	8.53	-75.83
O=C([O-])C1COCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300006902435	0	51	0.0	-57.86	380.89	9.31	-48.55
CCN1CCC([NH+]2CCC(C(=O)N3CCOCC(C(=O)[O-])C3)CC2)CC1	REAL300006902441	0	59	0.0	-76.96	413.08	7.07	-69.89
CC1C[NH+](CC2=CC=C(C(=O)N3CCOCC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300006902448	1	55	0.0	-89.37	413.70	8.34	-81.03
O=C([O-])C1COCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006902457	1	52	0.0	-82.00	393.99	8.88	-73.12
O=C([O-])C1COCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006902457	1	52	0.0	-85.48	387.09	8.72	-76.76
O=C([O-])C1COCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006902471	0	51	0.0	-63.61	376.29	9.35	-54.26
O=C([O-])C1COCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006902471	1	51	0.0	-63.53	364.12	8.85	-54.68
CC1=C(C(=O)N2CCOCC(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300006902473	1	42	0.0	-79.62	335.24	5.84	-73.78
O=C([O-])C1COCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300006902481	0	51	0.0	-85.00	380.38	9.31	-75.69
O=C([O-])C1COCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300006902493	1	44	0.0	-64.03	338.45	6.81	-57.22
C[NH+](C)CCC1=CC=C(C(=O)N2CCOCC(C(=O)[O-])C2)C=C1	REAL300006902494	0	47	0.0	-87.32	361.31	8.30	-79.02
O=C([O-])C1COCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006902502	1	49	0.0	-77.77	361.73	7.83	-69.94
O=C([O-])C1COCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006902502	1	49	0.0	-70.39	362.59	7.89	-62.50
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902508	0	58	0.0	-65.71	427.07	9.87	-55.84
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902508	1	58	0.0	-61.00	418.22	9.60	-51.40
CC(C(=O)N1CCOCC(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006902516	0	57	0.0	-67.41	415.80	10.63	-56.78
CC(C(=O)N1CCOCC(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300006902548	1	42	0.0	-66.19	314.84	6.09	-60.10
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902555	0	47	0.0	-70.21	358.72	8.67	-61.54
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902555	1	47	0.0	-70.80	360.04	8.72	-62.08
COCCOCC[N@H+](C)CCC(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902556	0	51	0.0	-72.62	387.68	4.88	-67.74
COCCOCC[N@@H+](C)CCC(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902556	1	51	0.0	-73.56	387.73	4.91	-68.65
C[N@@H+]1CCCC(O)(CC(=O)N2CCOCC(C(=O)[O-])C2)C1	REAL300006902559	0	45	0.0	-71.57	326.25	4.70	-66.87
C[N@H+]1CCCC(O)(CC(=O)N2CCOCC(C(=O)[O-])C2)C1	REAL300006902559	1	45	0.0	-72.55	317.27	4.50	-68.05
O=C([O-])C1COCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006902567	0	56	0.0	-78.76	413.84	8.40	-70.36
O=C([O-])C1COCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300006902568	1	50	0.0	-71.72	363.13	7.22	-64.50
O=C([O-])C1COCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300006902568	1	50	0.0	-67.32	359.15	7.11	-60.21
O=C([O-])C1COCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300006902569	1	50	0.0	-67.08	371.91	7.47	-59.61
O=C([O-])C1COCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300006902569	1	50	0.0	-70.57	365.51	7.30	-63.27
CCCCCC[N@H+](C)CC(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902570	0	49	0.0	-69.14	364.64	8.03	-61.11
CCCCCC[N@@H+](C)CC(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902570	1	49	0.0	-69.20	364.63	8.03	-61.17
C[N@H+](CC(=O)N1CCOCC(C(=O)[O-])C1)C1CCSC1	REAL300006902594	0	42	0.0	-70.94	319.04	6.45	-64.49
C[N@@H+](CC(=O)N1CCOCC(C(=O)[O-])C1)C1CCSC1	REAL300006902594	1	42	0.0	-70.92	318.85	6.48	-64.44
CC(C)[NH+]1CCN(CCC(=O)N2CCOCC(C(=O)[O-])C2)CC1	REAL300006902605	0	52	0.0	-75.16	376.25	5.50	-69.66
CC(C)N1CC[NH+](CCC(=O)N2CCOCC(C(=O)[O-])C2)CC1	REAL300006902605	1	52	0.0	-72.51	371.40	5.25	-67.26
CC(C)[NH+]1CCN(CCCC(=O)N2CCOCC(C(=O)[O-])C2)CC1	REAL300006902606	0	55	0.0	-72.90	396.38	6.24	-66.66
CC(C)N1CC[NH+](CCCC(=O)N2CCOCC(C(=O)[O-])C2)CC1	REAL300006902606	1	55	0.0	-74.14	393.20	6.07	-68.07
C[NH+](C)CCN1C=C(C(=O)N2CCOCC(C(=O)[O-])C2)C=N1	REAL300006902608	0	44	0.0	-67.41	333.08	5.14	-62.27
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCOCC(C(=O)[O-])C3)CC2)=C1	REAL300006902613	0	56	0.0	-76.61	413.75	8.28	-68.33
O=C([O-])C1COCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006902615	0	53	0.0	-76.59	392.33	7.61	-68.98
O=C([O-])C1COCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300006902619	0	50	0.0	-75.23	374.39	7.56	-67.67
O=C([O-])C1COCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300006902619	1	50	0.0	-76.36	374.70	7.58	-68.78
CC(C(=O)N1CCOCC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006902624	1	48	0.0	-66.70	355.49	8.58	-58.12
CC(C(=O)N1CCOCC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006902624	1	48	0.0	-65.88	353.86	8.52	-57.36
CCC(CC)C(C(=O)N1CCOCC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300006902639	1	54	0.0	-62.87	363.96	6.07	-56.80
O=C([O-])C1COCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006902652	0	51	0.0	-78.31	382.51	9.49	-68.82
O=C([O-])C1COCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006902652	1	51	0.0	-79.72	386.49	9.55	-70.17
C[NH+](C)CCN1C=CC(C(=O)N2CCOCC(C(=O)[O-])C2)=N1	REAL300006902664	0	44	0.0	-90.70	341.85	6.14	-84.56
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902665	0	44	0.0	-60.15	333.46	5.36	-54.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902670	1	45	0.0	-66.27	345.49	7.47	-58.80
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCOCC(C(=O)[O-])C2)=NN1	REAL300006902673	1	45	0.0	-59.58	339.53	5.71	-53.87
C[N@H+]1CCCC1C1=CC(C(=O)N2CCOCC(C(=O)[O-])C2)=NN1	REAL300006902673	1	45	0.0	-63.05	333.36	5.10	-57.95
O=C([O-])C1COCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300006902684	0	51	0.0	-75.13	385.86	9.39	-65.74
O=C([O-])C1COCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300006902684	1	51	0.0	-76.80	386.18	9.41	-67.39
O=C([O-])C1COCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300006902685	1	47	0.0	-65.18	352.71	6.75	-58.43
O=C([O-])C1COCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300006902685	1	47	0.0	-72.01	356.69	6.81	-65.20
CC(C[NH+]1CCOCC1)C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902689	0	45	0.0	-72.97	327.56	4.73	-68.24
O=C([O-])C1COCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300006902690	0	52	0.0	-76.59	389.56	6.98	-69.61
O=C([O-])C1COCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300006902737	0	51	0.0	-72.03	362.04	8.09	-63.94
O=C([O-])C1COCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300006902737	1	51	0.0	-73.65	362.54	8.04	-65.61
O=C([O-])C1COCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300006902757	0	56	0.0	-76.14	406.57	8.30	-67.84
O=C([O-])C1COCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300006902757	1	56	0.0	-72.93	407.17	8.76	-64.17
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902764	0	48	0.0	-64.46	331.96	4.95	-59.51
CC(C)[N@@H+]1CCC(C(=O)N2CCOCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006902767	0	57	0.0	-84.21	414.46	8.01	-76.20
CC(C)[N@H+]1CCC(C(=O)N2CCOCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006902767	1	57	0.0	-78.85	418.92	8.21	-70.64
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCOCC(C(=O)[O-])C2)C=N1	REAL300006902768	0	51	0.0	-82.01	384.46	6.98	-75.03
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCOCC(C(=O)[O-])C2)C=N1	REAL300006902768	1	51	0.0	-75.72	370.69	6.71	-69.01
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCOCC(C(=O)[O-])C3)=C2)CC1	REAL300006902774	0	53	0.0	-51.57	396.11	6.92	-44.65
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOCC(C(=O)[O-])C3)C=C2)CC1	REAL300006902775	0	53	0.0	-60.72	391.92	6.55	-54.17
CN1CC[NH+](CC2=CC=C(C(=O)N3CCOCC(C(=O)[O-])C3)C=C2)CC1	REAL300006902775	1	53	0.0	-85.85	396.95	6.76	-79.09
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCOCC(C(=O)[O-])C2)C=C1	REAL300006902776	0	54	0.0	-83.73	403.58	8.53	-75.20
O=C([O-])C1COCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300006902878	0	55	0.0	-87.39	412.05	6.61	-80.78
C[NH+](C)CC1=CC=CC(C(=O)N2CCOCC(C(=O)[O-])C2)=C1	REAL300006902882	0	44	0.0	-76.62	336.82	7.37	-69.25
O=C([O-])C1COCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006902883	0	51	0.0	-72.23	378.91	9.28	-62.95
O=C([O-])C1COCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006902883	1	51	0.0	-72.31	380.68	9.33	-62.98
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902939	0	44	0.0	-64.32	334.23	7.45	-56.87
CC[NH+]1CCN(CCC(=O)N2CCOCC(C(=O)[O-])C2)CC1	REAL300006902941	0	49	0.0	-75.36	358.19	4.95	-70.41
CCN1CC[NH+](CCC(=O)N2CCOCC(C(=O)[O-])C2)CC1	REAL300006902941	1	49	0.0	-72.61	358.16	4.93	-67.68
CC(C)C(C(=O)N1CCOCC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300006902944	0	50	0.0	-64.59	345.68	7.93	-56.66
C[NH+](C)C(C(=O)N1CCOCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006902945	1	44	0.0	-62.61	329.18	7.48	-55.13
O=C([O-])C1COCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006902949	0	49	0.0	-69.57	370.67	5.56	-64.01
O=C([O-])C1COCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006902949	1	49	0.0	-48.10	360.20	5.46	-42.64
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902954	1	45	0.0	-65.51	344.99	7.42	-58.09
C[NH+](C)CC1=C(C(=O)N2CCOCC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300006902955	0	47	0.0	-62.44	354.72	8.26	-54.18
O=C([O-])C1COCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300006902959	0	48	0.0	-64.19	344.86	7.61	-56.58
O=C([O-])C1COCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300006902959	1	48	0.0	-66.69	342.46	7.56	-59.13
CC(C)C(C(=O)N1CCOCC(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006902983	1	54	0.0	-64.77	375.05	7.15	-57.62
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOCC(C(=O)[O-])C3)=CC=C1N2	REAL300006903010	1	49	0.0	-90.96	372.75	7.87	-83.09
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOCC(C(=O)[O-])C3)=CC=C1N2	REAL300006903010	1	49	0.0	-90.28	371.82	7.78	-82.50
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOCC(C(=O)[O-])C2)O1	REAL300006903063	0	47	0.0	-47.14	346.78	7.24	-39.90
CC1=CC=C(N2CCC(C(=O)N3CCOCC(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300006903064	1	50	0.0	-74.63	368.83	7.02	-67.61
C[N@H+](CC(=O)N1CCOCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006903065	1	44	0.0	-71.42	336.24	7.82	-63.60
C[N@@H+](CC(=O)N1CCOCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006903065	1	44	0.0	-72.08	337.55	7.87	-64.21
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCOCC(C(=O)[O-])C3)C=C2)CC1	REAL300006903068	0	56	0.0	-85.15	406.89	7.80	-77.35
O=C([O-])C1COCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300006903079	1	39	0.0	-66.61	306.35	5.03	-61.58
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006903113	0	51	0.0	-82.05	381.56	9.14	-72.91
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006903113	1	51	0.0	-81.32	382.23	9.10	-72.22
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCOCC(C(=O)[O-])C2)C=C1	REAL300006903131	0	52	0.0	-66.91	401.28	8.70	-58.21
C[NH+]1CCC(OCC(=O)N2CCOCC(C(=O)[O-])C2)CC1	REAL300006903146	0	45	0.0	-81.26	339.50	6.38	-74.88
O=C([O-])C1COCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006903150	0	48	0.0	-46.13	360.30	7.91	-38.22
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCOCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006903181	0	50	0.0	-72.02	371.96	7.39	-64.63
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCOCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006903181	1	50	0.0	-71.21	367.33	7.18	-64.03
O=C([O-])C1COCCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300006903341	0	45	0.0	-68.25	333.14	3.39	-64.86
O=C([O-])C1COCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300006903426	0	52	0.0	-75.39	385.98	9.47	-65.92
O=C([O-])C1COCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300006903426	1	52	0.0	-75.84	386.53	9.52	-66.32
O=C([O-])C1COCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300006903458	1	51	0.0	-66.09	383.47	9.39	-56.70
O=C([O-])C1COCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300006903458	1	51	0.0	-69.26	383.42	9.43	-59.83
C[N@@H+]1CC(C(=O)N2CCOCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006903541	0	41	0.0	-72.59	307.88	5.95	-66.64
C[N@H+]1CC(C(=O)N2CCOCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006903541	1	41	0.0	-80.58	309.64	5.94	-74.64
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOCC(C(=O)[O-])C2)=C1	REAL300006903974	0	47	0.0	-78.35	359.32	8.21	-70.14
C[NH+](C)CCOC1=CC=C(C(=O)N2CCOCC(C(=O)[O-])C2)C=C1	REAL300006903980	0	48	0.0	-84.95	368.64	7.23	-77.72
O=C([O-])C1COCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006904059	0	54	0.0	-70.46	399.24	10.20	-60.26
CC1C[N@H+](CC2=CC=C(C(=O)N3CCOCC(C(=O)[O-])C3)C=C2)CCO1	REAL300006904061	1	52	0.0	-57.96	386.25	7.47	-50.49
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCOCC(C(=O)[O-])C3)C=C2)CCO1	REAL300006904061	1	52	0.0	-87.77	390.95	7.59	-80.18
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOCC(C(=O)[O-])C2)C1	REAL300006904145	0	50	0.0	-70.17	357.27	7.72	-62.45
CC(C)C[N@H+]1CCCC(C(=O)N2CCOCC(C(=O)[O-])C2)C1	REAL300006904145	1	50	0.0	-70.17	357.27	7.72	-62.45
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCOCC(C(=O)[O-])C2)C1	REAL300006904153	0	50	0.0	-78.34	333.74	6.51	-71.83
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCOCC(C(=O)[O-])C2)C1	REAL300006904153	1	50	0.0	-78.34	333.74	6.51	-71.83
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(CCCO3)CC2)C1	REAL300006904227	0	51	0.0	-41.71	349.96	8.44	-33.27
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(CCCO3)CC2)C1	REAL300006904227	1	51	0.0	-41.71	349.96	8.44	-33.27
O=C([O-])C1CCC[N@@H+](CC(=O)NC23CC(CO)(C2)OC32CCOCC2)C1	REAL300006904336	0	54	0.0	-54.31	396.59	2.28	-52.03
CC1(C)OC2(CO)CC1(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300006904433	0	49	0.0	-53.95	365.51	2.57	-51.38
COCC(C)(CCO)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006904489	0	47	0.0	-52.60	350.83	2.47	-50.13
CN(CC1CCCCC12CCC2)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006904635	0	56	0.0	-46.16	387.86	11.00	-35.16
CN(CC1CCCCC12CCC2)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006904635	1	56	0.0	-46.16	387.86	11.00	-35.16
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006905739	0	51	0.0	-66.62	385.49	11.08	-55.54
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])CN21	REAL300006907008	1	43	0.0	-57.06	332.27	8.18	-48.88
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)=CS1	REAL300006907060	1	50	0.0	-65.74	392.89	8.84	-56.90
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=C1	REAL300006907120	0	54	0.0	-72.71	418.42	10.58	-62.13
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])=C1	REAL300006907126	0	54	0.0	-74.38	419.16	12.91	-61.47
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])=C1	REAL300006907126	1	54	0.0	-73.85	419.21	12.92	-60.93
C[NH+](C)CC1(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])CCCCC1	REAL300006907190	0	50	0.0	-69.80	340.04	9.10	-60.70
C[N@H+](CCC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-])C1CCCCC1	REAL300006907192	0	50	0.0	-60.61	363.05	9.02	-51.59
C[N@@H+](CCC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-])C1CCCCC1	REAL300006907192	1	50	0.0	-58.39	362.75	9.41	-48.98
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300006907251	0	44	0.0	-71.41	353.84	8.06	-63.35
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300006907270	0	52	0.0	-67.73	376.12	8.12	-59.61
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CCCC[NH+]1CCOCC1	REAL300006907294	1	48	0.0	-68.67	362.92	7.01	-61.66
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300006907295	0	53	0.0	-70.02	388.37	10.37	-59.65
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300006907295	1	53	0.0	-73.78	382.90	10.29	-63.49
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006907311	0	48	0.0	-59.10	367.51	10.21	-48.89
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006907311	1	48	0.0	-60.44	369.50	10.33	-50.11
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300006907312	0	49	0.0	-66.59	368.25	9.73	-56.86
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300006907334	0	52	0.0	-59.68	361.20	7.68	-52.00
CC(C(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300006907337	0	47	0.0	-49.98	359.32	9.84	-40.14
CC(C(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300006907337	1	47	0.0	-55.01	359.23	9.83	-45.18
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300006907345	0	54	0.0	-57.68	401.79	12.09	-45.59
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300006907345	1	54	0.0	-62.72	408.01	11.91	-50.81
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=N1	REAL300006907362	0	43	0.0	-69.47	338.30	7.46	-62.01
CCC[NH+](CCC)CCCC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907369	0	52	0.0	-63.14	387.22	9.63	-53.51
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300006907387	0	48	0.0	-73.57	367.57	10.06	-63.51
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300006907392	0	51	0.0	-68.47	384.18	11.16	-57.31
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)CC1	REAL300006907398	0	59	0.0	-61.66	418.16	8.66	-53.00
CC1C[NH+](CC2=CC=C(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300006907405	1	55	0.0	-76.40	417.64	9.80	-66.60
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907414	1	52	0.0	-69.23	391.90	10.31	-58.92
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907414	1	52	0.0	-70.29	392.01	10.31	-59.98
CC1=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300006907429	1	42	0.0	-75.18	338.50	7.71	-67.47
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300006907432	0	51	0.0	-73.96	384.32	10.77	-63.19
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300006907442	1	44	0.0	-73.46	349.15	7.60	-65.86
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=C1	REAL300006907443	0	47	0.0	-76.98	365.03	10.18	-66.80
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300006907447	1	49	0.0	-66.38	371.39	9.68	-56.70
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300006907447	1	49	0.0	-46.86	371.44	9.69	-37.17
CC(C(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006907457	0	57	0.0	-51.53	422.86	11.92	-39.61
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907484	0	47	0.0	-57.58	363.80	9.86	-47.72
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907484	1	47	0.0	-55.91	363.58	10.28	-45.63
COCCOCC[N@H+](C)CCC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907485	0	51	0.0	-60.16	392.53	6.45	-53.71
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907485	1	51	0.0	-59.47	392.59	6.45	-53.02
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006907492	0	56	0.0	-66.40	418.65	9.96	-56.44
CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])CC1	REAL300006907523	0	52	0.0	-62.75	375.74	6.76	-55.99
CC(C)N1CC[NH+](CCC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])CC1	REAL300006907523	1	52	0.0	-58.53	376.26	6.79	-51.74
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])CC1	REAL300006907524	0	55	0.0	-66.39	397.32	7.57	-58.82
CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])CC1	REAL300006907524	1	55	0.0	-62.62	398.02	7.63	-54.99
C[NH+](C)CCN1C=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=N1	REAL300006907526	0	44	0.0	-73.72	348.66	7.33	-66.39
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)=C1	REAL300006907529	0	56	0.0	-62.40	418.62	9.82	-52.58
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300006907531	0	53	0.0	-62.50	397.21	9.16	-53.34
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300006907534	0	50	0.0	-64.02	380.43	9.19	-54.83
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300006907534	1	50	0.0	-60.51	374.10	9.46	-51.05
CC(C(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300006907539	1	48	0.0	-52.87	359.36	10.40	-42.47
CC(C(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300006907539	1	48	0.0	-52.76	359.43	10.40	-42.36
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300006907558	0	51	0.0	-65.81	387.30	11.02	-54.79
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300006907558	1	51	0.0	-66.37	390.02	10.64	-55.73
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])=N1	REAL300006907569	0	44	0.0	-76.85	349.15	7.35	-69.50
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907570	0	44	0.0	-55.58	344.26	7.32	-48.26
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907571	1	45	0.0	-55.28	350.40	9.06	-46.22
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300006907582	0	51	0.0	-57.90	385.73	11.30	-46.60
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300006907582	1	51	0.0	-63.31	391.85	11.09	-52.22
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300006907586	0	52	0.0	-61.67	394.47	8.55	-53.12
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])CC1	REAL300006907618	1	51	0.0	-68.77	386.64	9.52	-59.25
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300006907619	0	51	0.0	-59.52	370.42	9.75	-49.77
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300006907619	1	51	0.0	-60.40	369.91	9.28	-51.12
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])=C2)CC1	REAL300006907644	0	53	0.0	-75.48	401.23	8.73	-66.75
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])C=C2)CC1	REAL300006907645	0	53	0.0	-72.93	401.37	8.36	-64.57
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])C=C2)CC1	REAL300006907645	1	53	0.0	-74.54	400.84	8.22	-66.32
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=C1	REAL300006907646	0	54	0.0	-73.03	407.76	10.07	-62.96
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300006907717	0	55	0.0	-78.55	415.69	8.02	-70.53
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])=C1	REAL300006907721	0	44	0.0	-71.77	342.51	9.33	-62.44
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300006907722	0	51	0.0	-56.75	379.31	11.23	-45.52
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300006907722	1	51	0.0	-55.15	379.26	11.22	-43.93
CC[NH+]1CCN(CCC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])CC1	REAL300006907763	0	49	0.0	-64.09	361.80	6.34	-57.75
CCN1CC[NH+](CCC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])CC1	REAL300006907763	1	49	0.0	-58.69	363.02	6.47	-52.22
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907769	1	45	0.0	-55.82	350.10	8.58	-47.24
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])=CC=C1N2	REAL300006907812	1	49	0.0	-77.36	377.80	9.32	-68.04
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])=CC=C1N2	REAL300006907812	1	49	0.0	-77.30	377.49	9.74	-67.56
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])O1	REAL300006907852	0	47	0.0	-67.19	360.31	8.72	-58.47
CC1=CC=C(N2CCC(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300006907853	1	50	0.0	-61.77	378.21	8.75	-53.02
C[N@H+](CC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300006907854	1	44	0.0	-55.20	341.10	9.44	-45.76
C[N@@H+](CC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300006907854	1	44	0.0	-55.64	341.14	9.44	-46.20
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])C=C2)CC1	REAL300006907857	0	56	0.0	-75.60	410.52	9.71	-65.89
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300006907865	1	39	0.0	-73.06	323.72	7.28	-65.78
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907891	0	51	0.0	-62.82	389.34	10.48	-52.34
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-]	REAL300006907891	1	51	0.0	-62.82	386.19	10.91	-51.91
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=C1	REAL300006907908	0	52	0.0	-75.16	406.95	10.30	-64.86
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300006907922	0	48	0.0	-67.56	369.52	9.42	-58.14
C[N@@H+]1CC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006908206	0	41	0.0	-55.34	328.37	7.58	-47.76
C[N@H+]1CC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300006908206	1	41	0.0	-50.56	321.63	7.35	-43.21
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])=C1	REAL300006908538	0	47	0.0	-72.33	364.99	10.16	-62.17
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=C1	REAL300006908543	0	48	0.0	-74.33	372.55	8.71	-65.62
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300006908611	0	54	0.0	-66.36	404.08	11.78	-54.58
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])C=C2)CCO1	REAL300006908613	1	52	0.0	-75.00	389.94	9.49	-65.51
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])C=C2)CCO1	REAL300006908613	1	52	0.0	-75.24	396.65	9.53	-65.71
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C1	REAL300006908672	0	50	0.0	-59.57	365.81	9.57	-50.00
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C1	REAL300006908672	1	50	0.0	-59.99	365.80	9.55	-50.44
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NOC(CO)=C3)CC2)C1	REAL300006908760	0	50	0.0	-54.69	381.99	5.79	-48.90
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NOC(CO)=C3)CC2)C1	REAL300006908760	1	50	0.0	-50.89	374.58	5.32	-45.57
C[C@@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006908891	0	53	0.0	-47.69	401.43	11.23	-36.46
C[C@@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006908891	1	53	0.0	-50.06	402.24	11.70	-38.36
O=C([O-])CC1CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300006910249	0	54	0.0	-70.95	406.47	9.90	-61.05
O=C([O-])CC1CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300006910994	0	51	0.0	-61.50	383.16	8.80	-52.70
O=C([O-])CC1CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300006910994	1	51	0.0	-70.81	386.93	8.45	-62.36
O=C([O-])CC1CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300006911842	1	51	0.0	-75.86	410.46	9.52	-66.34
O=C([O-])CC1CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300006911842	1	51	0.0	-74.03	403.73	8.97	-65.06
O=C([O-])CC1CC(NC(=O)C2CC[NH+](C3CC3)CC2)CCO1	REAL300006911918	0	48	0.0	-76.36	356.57	7.10	-69.26
CC1=[NH+]C=C2CCC(C(=O)NC3CCOC(CC(=O)[O-])C3)CN21	REAL300006911951	1	46	0.0	-60.74	353.02	7.41	-53.33
O=C([O-])CC1CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCO1	REAL300006911952	0	54	0.0	-72.15	412.15	9.43	-62.72
CC1=NC(C[NH+]2CCC(C(=O)NC3CCOC(CC(=O)[O-])C3)CC2)=CS1	REAL300006912026	1	53	0.0	-78.22	417.33	7.58	-70.64
CC(C(=O)NC1CCOC(CC(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300006912027	1	49	0.0	-67.82	356.32	4.50	-63.32
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300006912112	0	57	0.0	-72.15	439.45	9.42	-62.73
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300006912124	0	57	0.0	-81.63	444.06	11.40	-70.23
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300006912124	1	57	0.0	-81.01	444.06	11.42	-69.59
CC1(C(=O)NC2CCOC(CC(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006912126	0	57	0.0	-74.51	422.95	9.98	-64.53
O=C([O-])CC1CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCO1	REAL300006912185	0	39	0.0	-75.34	319.37	7.84	-67.50
C[NH+](C)CC1(C(=O)NC2CCOC(CC(=O)[O-])C2)CCCCC1	REAL300006912215	0	53	0.0	-67.44	370.03	8.33	-59.11
C[N@H+](CCC(=O)NC1CCOC(CC(=O)[O-])C1)C1CCCCC1	REAL300006912219	0	53	0.0	-76.53	387.61	7.93	-68.60
C[N@@H+](CCC(=O)NC1CCOC(CC(=O)[O-])C1)C1CCCCC1	REAL300006912219	1	53	0.0	-66.44	383.80	8.26	-58.18
O=C([O-])CC1CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300006912241	1	54	0.0	-75.39	404.85	9.38	-66.01
O=C([O-])CC1CC(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300006912241	1	54	0.0	-66.26	400.98	9.73	-56.53
O=C([O-])CC1CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300006912242	1	51	0.0	-76.84	400.13	9.06	-67.78
O=C([O-])CC1CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300006912242	1	51	0.0	-74.83	393.40	8.52	-66.31
O=C([O-])CC1CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCO1	REAL300006912298	0	47	0.0	-79.13	378.43	6.98	-72.15
O=C([O-])CC1CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)CCO1	REAL300006912326	0	54	0.0	-58.31	382.25	8.45	-49.86
O=C([O-])CC1CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)CCO1	REAL300006912326	1	54	0.0	-58.33	382.27	8.46	-49.87
O=C([O-])CC1CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCO1	REAL300006912327	0	55	0.0	-69.63	397.11	6.94	-62.69
CC1=[NH+]C=CN1CCCC(=O)NC1CCOC(CC(=O)[O-])C1	REAL300006912359	1	45	0.0	-64.49	356.36	7.56	-56.93
O=C([O-])CC1CC(NC(=O)CCCC[NH+]2CCOCC2)CCO1	REAL300006912360	1	51	0.0	-79.21	387.47	5.91	-73.30
CC[N@H+](CC1=CC=C(C(=O)NC2CCOC(CC(=O)[O-])C2)C=C1)C(C)C	REAL300006912362	0	56	0.0	-81.12	407.85	9.07	-72.05
CC[N@@H+](CC1=CC=C(C(=O)NC2CCOC(CC(=O)[O-])C2)C=C1)C(C)C	REAL300006912362	1	56	0.0	-80.77	407.48	9.17	-71.60
O=C([O-])CC1CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300006912386	0	51	0.0	-67.91	388.92	9.08	-58.83
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O=C([O-])CC1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCC1	REAL300006917304	1	50	0.0	-54.23	372.45	10.35	-43.88
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(CC(=O)[O-])CCC3)=CC=C1N2	REAL300006917382	1	48	0.0	-75.10	370.35	8.91	-66.19
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(CC(=O)[O-])CCC3)=CC=C1N2	REAL300006917382	1	48	0.0	-75.33	370.56	8.87	-66.46
CC[NH+](CC)CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCC2)O1	REAL300006917420	0	46	0.0	-66.02	356.90	8.26	-57.76
CC1=CC=C(N2CCC(C(=O)NC3(CC(=O)[O-])CCC3)CC2)[NH+]=C1	REAL300006917422	1	49	0.0	-61.89	371.68	8.06	-53.83
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(CC(=O)[O-])CCC3)C=C2)CC1	REAL300006917425	0	55	0.0	-73.59	403.57	8.83	-64.76
O=C([O-])CC1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCC1	REAL300006917432	1	38	0.0	-71.08	316.71	6.44	-64.64
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(CC(=O)[O-])CCC1	REAL300006917456	0	50	0.0	-62.55	379.04	9.92	-52.63
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(CC(=O)[O-])CCC1	REAL300006917456	1	50	0.0	-57.57	378.98	10.15	-47.42
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300006917471	0	51	0.0	-73.60	399.30	9.63	-63.97
O=C([O-])CC1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCC1	REAL300006917483	0	47	0.0	-67.51	363.07	8.57	-58.94
C[N@@H+]1CC(C(=O)NC2(CC(=O)[O-])CCC2)C(C(F)(F)F)C1	REAL300006917717	0	40	0.0	-73.00	321.40	6.72	-66.28
C[N@H+]1CC(C(=O)NC2(CC(=O)[O-])CCC2)C(C(F)(F)F)C1	REAL300006917717	1	40	0.0	-71.50	313.92	6.38	-65.12
C[NH+](C)CCC1=CC=CC(C(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300006917993	0	46	0.0	-71.98	358.05	9.32	-62.66
C[NH+](C)CCOC1=CC=C(C(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300006917996	0	47	0.0	-71.71	365.28	8.28	-63.43
O=C([O-])CC1(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCC1	REAL300006918054	0	53	0.0	-65.30	397.35	10.78	-54.52
CC1C[N@H+](CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCC3)C=C2)CCO1	REAL300006918056	1	51	0.0	-73.58	389.77	8.60	-64.98
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCC3)C=C2)CCO1	REAL300006918056	1	51	0.0	-76.29	382.95	8.65	-67.64
CCCOC1=C(F)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006918175	1	47	0.0	-50.69	372.31	8.66	-42.03
CCCOC1=C(F)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006918175	1	47	0.0	-48.80	366.82	8.68	-40.12
CCCOC1=CC=C(F)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006918278	1	47	0.0	-49.14	368.53	8.51	-40.63
CCCOC1=CC=C(F)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006918278	1	47	0.0	-49.56	363.08	8.52	-41.04
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C12CCC(CC1)C2	REAL300006918406	0	50	0.0	-46.49	359.74	8.64	-37.85
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C12CCC(CC1)C2	REAL300006918406	1	50	0.0	-46.35	354.33	8.67	-37.68
O=C([O-])C1CCC[N@@H+](CC(=O)NCC23CC(CO)(CO2)CCC3)C1	REAL300006918510	0	52	0.0	-51.48	372.43	3.68	-47.80
O=C([O-])C1CCC[N@H+](CC(=O)NCC23CC(CO)(CO2)CCC3)C1	REAL300006918510	1	52	0.0	-49.24	378.98	3.62	-45.62
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC(F)(F)C1	REAL300006918627	0	43	0.0	-47.17	320.51	7.98	-39.19
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC(F)(F)C1	REAL300006918627	1	43	0.0	-50.46	320.84	8.45	-42.01
COC1=CC=C(C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1C	REAL300006918754	0	57	0.0	-49.70	420.53	10.97	-38.73
COC1=CC=C(C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1C	REAL300006918754	1	57	0.0	-46.32	413.82	10.50	-35.82
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3CCC(F)(F)CC3)=C2)C1	REAL300006918877	0	53	0.0	-49.96	397.69	11.24	-38.72
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3CCC(F)(F)CC3)=C2)C1	REAL300006918877	1	53	0.0	-51.19	402.88	11.23	-39.96
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCCC2C2=CC=CC=C2)C1	REAL300006918990	0	51	0.0	-43.69	363.75	8.91	-34.78
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCCC2C2=CC=CC=C2)C1	REAL300006918990	1	51	0.0	-49.70	365.82	9.36	-40.34
CO[C@@H]1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)[C@H]2COC[C@H]21	REAL300006919102	0	46	0.0	-45.46	333.30	4.56	-40.90
CO[C@@H]1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)[C@H]2COC[C@H]21	REAL300006919102	1	46	0.0	-49.06	345.65	5.08	-43.98
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300006919260	0	47	0.0	-52.70	375.54	8.62	-44.08
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300006919260	1	47	0.0	-50.27	369.32	8.60	-41.67
CC(C)(CC1=CNC2=CC=CC=C12)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006919378	0	53	0.0	-50.68	391.91	8.98	-41.70
CC(C)(CC1=CNC2=CC=CC=C12)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006919378	1	53	0.0	-51.68	386.60	9.04	-42.64
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(C3=CC=CC=C3)=NN2)C1	REAL300006919496	0	47	0.0	-53.45	376.11	7.33	-46.12
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(C3=CC=CC=C3)=NN2)C1	REAL300006919496	1	47	0.0	-50.97	369.91	7.31	-43.66
COC1=CC(C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=CC=C1C	REAL300006919623	0	57	0.0	-49.90	420.53	10.97	-38.93
COC1=CC(C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=CC=C1C	REAL300006919623	1	57	0.0	-46.51	413.83	10.50	-36.01
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300006919729	0	43	0.0	-68.17	342.72	9.64	-58.53
C[NH+](C)C[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300006919730	0	47	0.0	-72.35	378.34	9.63	-62.72
C[NH+](C)C[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300006919731	0	43	0.0	-73.64	346.76	9.30	-64.34
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300006919732	0	40	0.0	-63.68	341.49	8.51	-55.17
C[NH+](C)C[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300006919733	0	42	0.0	-57.77	344.13	8.24	-49.53
CCOC1=CC(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)=CC=C1OCC(=O)[O-]	REAL300006919734	0	54	0.0	-74.37	424.80	10.59	-63.78
C[NH+](C)C[C@H](NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300006919735	0	49	0.0	-74.78	392.80	10.78	-64.00
C[NH+](C)C[C@H](NC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300006919736	0	42	0.0	-75.92	338.82	7.87	-68.05
C[NH+](C)C[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300006919737	0	47	0.0	-74.16	377.23	10.83	-63.33
C[NH+](C)C[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=CC=CC=C1	REAL300006919738	0	45	0.0	-70.21	373.51	10.49	-59.72
C[NH+](C)C[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=CC=CC=C1	REAL300006919739	0	45	0.0	-70.21	373.51	10.49	-59.72
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)C=C1	REAL300006919740	0	53	0.0	-75.61	422.27	10.92	-64.69
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300006919741	0	40	0.0	-60.99	333.72	7.75	-53.24
C[NH+](C)C[C@H](NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300006919742	0	49	0.0	-65.94	384.49	10.59	-55.35
CC1=CC(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)=CC(C)=C1OCC(=O)[O-]	REAL300006919743	0	53	0.0	-71.39	422.25	11.16	-60.23
C[NH+](C)C[C@H](NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300006919744	0	46	0.0	-76.80	371.41	9.96	-66.84
C[NH+](C)C[C@H](NC(=O)C1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006919745	0	49	0.0	-62.73	354.26	9.73	-53.00
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300006919746	0	42	0.0	-73.26	345.58	8.24	-65.02
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300006919747	0	42	0.0	-59.79	342.76	8.11	-51.68
C[NH+](C)C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=CC=CC=C1	REAL300006919748	0	48	0.0	-65.25	355.90	8.73	-56.52
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=CC=CC=C1	REAL300006919749	0	43	0.0	-68.35	351.78	9.43	-58.92
C[NH+](C)C[C@H](NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300006919750	0	41	0.0	-63.92	339.00	6.37	-57.55
C[NH+](C)C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006919751	0	49	0.0	-68.78	373.21	9.59	-59.19
C[NH+](C)C[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006919752	0	49	0.0	-68.77	373.22	9.59	-59.18
C[NH+](C)C[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300006919753	0	46	0.0	-83.38	370.67	10.64	-72.74
C[NH+](C)C[C@H](NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=CC=CC=C1	REAL300006919754	0	42	0.0	-77.70	344.53	6.29	-71.41
CC1=NC(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300006919755	0	45	0.0	-60.80	360.43	8.09	-52.71
C[NH+](C)C[C@H](NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300006919756	0	43	0.0	-67.82	368.44	9.94	-57.88
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300006919757	0	43	0.0	-68.17	342.72	9.64	-58.53
C[NH+](C)C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300006919758	0	46	0.0	-69.04	355.54	8.90	-60.14
C[NH+](C)C[C@H](NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC=C1	REAL300006919759	0	46	0.0	-68.89	368.94	10.06	-58.83
C[NH+](C)C[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=CC=CC=C1	REAL300006919760	0	43	0.0	-74.00	352.16	8.94	-65.06
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@@H](C[NH+](C)C)C1=CC=CC=C1	REAL300006919761	0	46	0.0	-60.04	375.00	9.51	-50.53
C[NH+](C)C[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC=C1	REAL300006919762	0	42	0.0	-63.69	344.79	7.61	-56.08
C[NH+](C)C[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300006919763	0	52	0.0	-68.02	384.88	10.09	-57.93
C[NH+](C)C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=CC=CC=C1	REAL300006919764	0	48	0.0	-65.25	355.90	8.73	-56.52
C[NH+](C)C[C@H](NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=CC=CC=C1	REAL300006919765	0	45	0.0	-72.27	367.20	9.14	-63.13
C[NH+](C)C[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=CC=CC=C1	REAL300006919766	0	50	0.0	-67.74	399.43	10.06	-57.68
C[NH+](C)C[C@H](NC(=O)C1=NOC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300006919767	0	39	0.0	-58.02	328.06	6.89	-51.13
C[NH+](C)C[C@H](NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=CC=CC=C1	REAL300006919768	0	56	0.0	-65.23	423.34	12.77	-52.46
CC1=C(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300006919769	0	43	0.0	-63.81	349.15	9.12	-54.69
CC1=C(C(=O)[O-])OC(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)=C1	REAL300006919770	0	43	0.0	-60.94	351.54	8.31	-52.63
C[NH+](C)C[C@H](NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300006919771	0	43	0.0	-78.53	352.72	8.11	-70.42
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=CC=CC=C1	REAL300006919772	0	44	0.0	-65.13	366.75	8.91	-56.22
C[NH+](C)C[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300006919773	0	47	0.0	-68.26	373.73	9.92	-58.34
C[NH+](C)C[C@H](NC(=O)CCSCC(=O)[O-])C1=CC=CC=C1	REAL300006919774	0	43	0.0	-65.48	352.54	8.82	-56.66
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300006919775	0	42	0.0	-59.79	342.76	8.11	-51.68
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@@H](C[NH+](C)C)C1=CC=CC=C1	REAL300006919776	0	43	0.0	-70.27	349.24	7.01	-63.26
C[C@@H]1C[C@H](C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)O[C@H]1C(=O)[O-]	REAL300006919777	0	47	0.0	-73.26	369.67	8.86	-64.40
C[NH+](C)C[C@H](NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300006919778	0	46	0.0	-66.19	368.93	10.07	-56.12
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300006919779	0	47	0.0	-71.27	378.83	10.58	-60.69
C[NH+](C)C[C@H](NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=CC=CC=C1	REAL300006919780	0	44	0.0	-68.52	361.79	9.09	-59.43
C[NH+](C)C[C@H](NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=CC=CC=C1	REAL300006919781	0	46	0.0	-77.12	375.48	5.28	-71.84
C[NH+](C)C[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300006919782	0	44	0.0	-65.78	363.32	9.45	-56.33
C[NH+](C)C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300006919783	0	46	0.0	-69.04	355.54	8.90	-60.14
CC1=CC=C(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300006919784	0	46	0.0	-73.74	362.84	10.29	-63.45
C[NH+](C)C[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300006919785	0	42	0.0	-67.38	341.92	7.50	-59.88
CC1=NC=C(C(=O)[O-])C=C1C(=O)N[C@@H](C[NH+](C)C)C1=CC=CC=C1	REAL300006919786	0	45	0.0	-58.53	356.50	8.68	-49.85
C[NH+](C)C[C@H](NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300006919787	0	43	0.0	-78.94	352.81	7.46	-71.48
C[NH+](C)C[C@H](NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300006919788	0	49	0.0	-81.50	392.40	9.17	-72.33
C[NH+](C)C[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=CC=CC=C1	REAL300006919789	0	50	0.0	-76.22	386.84	9.71	-66.51
C[NH+](C)C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=CC=CC=C1	REAL300006919790	0	50	0.0	-67.29	388.66	8.77	-58.52
CC1=C(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)OC(C(=O)[O-])=C1	REAL300006919791	0	43	0.0	-61.23	351.44	8.41	-52.82
C[NH+](C)C[C@H](NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300006919792	0	51	0.0	-55.37	368.16	11.72	-43.65
C[NH+](C)C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300006919793	0	49	0.0	-63.56	351.21	10.11	-53.45
C[NH+](C)C[C@H](NC(=O)CN1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006919794	1	51	0.0	-70.44	384.47	7.87	-62.57
C[NH+](C)C[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=CC=CC=C1	REAL300006919795	0	50	0.0	-67.74	399.43	10.06	-57.68
C[NH+](C)C[C@H](NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=CC=CC=C1	REAL300006919796	0	50	0.0	-82.90	405.30	11.48	-71.42
C[NH+](C)C[C@H](NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=CC=CC=C1	REAL300006919797	0	47	0.0	-64.05	369.13	9.65	-54.40
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N[C@@H](C[NH+](C)C)C1=CC=CC=C1	REAL300006919798	0	49	0.0	-76.97	381.21	10.83	-66.14
CC1=CC=C(C(=O)[O-])C=C1C(=O)N[C@@H](C[NH+](C)C)C1=CC=CC=C1	REAL300006919799	0	46	0.0	-62.73	362.33	9.95	-52.78
C[NH+](C)C[C@H](NC(=O)C1CC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300006919800	0	46	0.0	-60.41	355.86	8.71	-51.70
C[NH+](C)C[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=CC=CC=C1	REAL300006919801	0	40	0.0	-74.68	329.89	6.38	-68.30
CC1=C(C(=O)[O-])C=NC=C1C(=O)N[C@@H](C[NH+](C)C)C1=CC=CC=C1	REAL300006919802	0	45	0.0	-66.74	352.45	8.10	-58.64
CC1=CC(C(=O)[O-])=CC=C1C(=O)N[C@@H](C[NH+](C)C)C1=CC=CC=C1	REAL300006919803	0	46	0.0	-70.74	362.33	9.96	-60.78
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=CC=CC=C1	REAL300006919804	0	43	0.0	-67.84	359.74	9.87	-57.97
C[NH+](C)C[C@H](NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300006919805	0	50	0.0	-71.13	387.68	10.20	-60.93
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)=C1	REAL300006919806	0	46	0.0	-54.18	373.20	7.44	-46.74
CN1C(C(=O)[O-])=CC=C1C(=O)N[C@@H](C[NH+](C)C)C1=CC=CC=C1	REAL300006919807	0	44	0.0	-67.91	349.90	8.55	-59.36
C[NH+](C)C[C@H](NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300006919808	0	49	0.0	-68.19	390.33	10.88	-57.31
C[NH+](C)C[C@H](NC(=O)CC1(CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300006919809	0	46	0.0	-47.13	353.94	9.43	-37.70
C[NH+](C)C[C@H](NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=CC=CC=C1	REAL300006919810	0	47	0.0	-65.07	380.81	9.79	-55.28
C[NH+](C)C[C@H](NC(=O)C1=CSC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300006919811	0	39	0.0	-57.99	336.87	6.48	-51.51
CC1=C(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300006919812	0	43	0.0	-62.56	357.71	9.22	-53.34
C[NH+](C)C[C@H](NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=CC=CC=C1	REAL300006919813	0	43	0.0	-72.69	375.82	10.55	-62.14
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)=C1	REAL300006919814	0	47	0.0	-68.37	384.97	9.04	-59.33
C[NH+](C)C[C@H](NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=CC=CC=C1	REAL300006919815	0	46	0.0	-71.92	382.46	10.62	-61.30
C[NH+](C)C[C@H](NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=CC=CC=C1	REAL300006919816	0	48	0.0	-53.32	377.09	9.20	-44.12
C[NH+](C)C[C@H](NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300006919817	0	47	0.0	-74.16	377.23	10.83	-63.33
C[NH+](C)C[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=CC=CC=C1	REAL300006919818	0	44	0.0	-61.02	370.58	8.86	-52.16
C[NH+](C)C[C@H](NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=CC=CC=C1	REAL300006919819	0	44	0.0	-74.69	371.38	9.11	-65.58
C[NH+](C)C[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=CC=CC=C1	REAL300006919820	0	44	0.0	-65.07	363.82	7.50	-57.57
CC1=C(C(=O)[O-])C=CC=C1C(=O)N[C@@H](C[NH+](C)C)C1=CC=CC=C1	REAL300006919821	0	46	0.0	-72.59	357.22	9.92	-62.67
C[NH+](C)C[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300006919822	0	46	0.0	-75.67	377.03	8.71	-66.96
C[NH+](C)C[C@H](NC(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300006919823	0	40	0.0	-71.32	338.61	8.87	-62.45
C[NH+](C)C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300006919824	0	48	0.0	-58.12	368.35	7.70	-50.42
C[NH+](C)C[C@H](NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=CC=CC=C1	REAL300006919825	0	49	0.0	-75.62	383.08	11.41	-64.21
CC(C)[C@]1(C(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300006919826	0	49	0.0	-70.79	368.80	10.84	-59.95
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N[C@@H](C[NH+](C)C)C1=CC=CC=C1	REAL300006919827	0	49	0.0	-81.01	384.10	10.77	-70.24
C[NH+](C)C[C@H](NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300006919828	0	43	0.0	-79.06	358.92	9.44	-69.62
C[NH+](C)C[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300006919829	0	46	0.0	-86.01	375.22	10.66	-75.35
C[NH+](C)C[C@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300006919830	0	46	0.0	-58.05	356.08	9.11	-48.94
C[NH+](C)C[C@H](NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300006919831	0	50	0.0	-65.16	395.02	11.49	-53.67
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919832	0	44	0.0	-71.28	336.67	8.46	-62.82
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919832	1	44	0.0	-70.60	330.51	7.86	-62.74
C[N@@H+]1CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC12CCCC2	REAL300006919833	0	48	0.0	-76.91	361.56	8.28	-68.63
C[N@H+]1CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC12CCCC2	REAL300006919833	1	48	0.0	-75.96	364.30	8.22	-67.74
C[N@@H+]1CC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)CC12CCCC2	REAL300006919834	0	44	0.0	-79.88	333.61	8.14	-71.74
C[N@H+]1CC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)CC12CCCC2	REAL300006919834	1	44	0.0	-77.27	332.95	8.18	-69.09
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])S2)CC12CCCC2	REAL300006919835	0	41	0.0	-63.81	327.17	7.33	-56.48
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])S2)CC12CCCC2	REAL300006919835	1	41	0.0	-63.80	326.69	7.29	-56.51
C[N@@H+]1CC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)CC12CCCC2	REAL300006919836	0	43	0.0	-59.80	332.11	6.22	-53.58
C[N@H+]1CC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)CC12CCCC2	REAL300006919836	1	43	0.0	-58.69	330.77	6.37	-52.32
CC(SC1=CC=CC=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300006919837	0	51	0.0	-74.94	385.12	9.83	-65.11
CC(SC1=CC=CC=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300006919837	1	51	0.0	-76.49	386.25	9.92	-66.57
CCOC1=CC(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)=CC=C1OCC(=O)[O-]	REAL300006919838	0	55	0.0	-76.77	415.29	8.90	-67.87
CCOC1=CC(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)=CC=C1OCC(=O)[O-]	REAL300006919838	1	55	0.0	-77.26	415.67	9.10	-68.16
C[N@@H+]1CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919839	0	50	0.0	-75.52	379.00	9.46	-66.06
C[N@H+]1CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919839	1	50	0.0	-76.02	382.95	9.79	-66.23
C[N@@H+]1CC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)CC12CCCC2	REAL300006919840	0	43	0.0	-82.82	329.69	6.38	-76.44
C[N@H+]1CC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)CC12CCCC2	REAL300006919840	1	43	0.0	-81.55	329.31	6.18	-75.37
C[N@@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919841	0	48	0.0	-75.59	365.00	9.20	-66.39
C[N@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919841	1	48	0.0	-75.30	367.74	9.14	-66.16
C[N@@H+]1CC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919842	0	52	0.0	-72.77	411.71	4.34	-68.43
C[N@H+]1CC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919842	1	52	0.0	-73.71	411.72	4.50	-69.21
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCCC2	REAL300006919843	0	46	0.0	-71.64	358.64	8.67	-62.97
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCCC2	REAL300006919843	1	46	0.0	-58.86	360.93	8.78	-50.08
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCCC2	REAL300006919844	0	46	0.0	-71.64	358.64	8.67	-62.97
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCCC2	REAL300006919844	1	46	0.0	-58.86	360.93	8.78	-50.08
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C=C1	REAL300006919845	0	54	0.0	-76.53	410.09	9.84	-66.69
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C=C1	REAL300006919845	1	54	0.0	-77.79	411.50	10.11	-67.68
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCCC2	REAL300006919846	0	51	0.0	-73.27	392.27	8.95	-64.32
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCCC2	REAL300006919846	1	51	0.0	-71.22	393.79	9.31	-61.91
C[N@@H+]1CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])CC12CCCC2	REAL300006919847	0	50	0.0	-60.35	370.81	9.14	-51.21
C[N@H+]1CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])CC12CCCC2	REAL300006919847	1	50	0.0	-68.29	370.58	9.34	-58.95
CC1=CC(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006919848	0	54	0.0	-73.68	411.06	10.14	-63.54
CC1=CC(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006919848	1	54	0.0	-74.02	409.69	10.05	-63.97
C[N@@H+]1CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC12CCCC2	REAL300006919849	0	47	0.0	-79.28	357.66	8.62	-70.66
C[N@H+]1CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC12CCCC2	REAL300006919849	1	47	0.0	-75.55	361.70	8.97	-66.58
C[N@@H+]1CC(NC(=O)C2CCCC(C(=O)[O-])C2)CC12CCCC2	REAL300006919850	0	50	0.0	-74.10	358.45	8.34	-65.76
C[N@H+]1CC(NC(=O)C2CCCC(C(=O)[O-])C2)CC12CCCC2	REAL300006919850	1	50	0.0	-76.49	352.47	8.05	-68.44
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)CC12CCCC2	REAL300006919851	0	43	0.0	-70.85	328.17	6.33	-64.52
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)CC12CCCC2	REAL300006919851	1	43	0.0	-71.78	329.10	6.17	-65.61
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC12CCCC2	REAL300006919852	0	43	0.0	-61.16	330.28	6.43	-54.73
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC12CCCC2	REAL300006919852	1	43	0.0	-61.20	329.81	6.38	-54.82
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC12CCCC2	REAL300006919853	0	44	0.0	-70.02	337.56	8.21	-61.81
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC12CCCC2	REAL300006919853	1	44	0.0	-71.80	338.71	8.25	-63.55
C[N@@H+]1CC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)CC12CCCC2	REAL300006919854	0	42	0.0	-64.32	326.87	4.57	-59.75
C[N@H+]1CC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)CC12CCCC2	REAL300006919854	1	42	0.0	-63.80	325.39	4.52	-59.28
C[N@@H+]1CC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC12CCCC2	REAL300006919855	0	50	0.0	-70.21	358.49	8.35	-61.86
C[N@H+]1CC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC12CCCC2	REAL300006919855	1	50	0.0	-68.61	362.47	8.49	-60.12
C[N@@H+]1CC(NC(=O)C2CCC(C(=O)[O-])CC2)CC12CCCC2	REAL300006919856	0	50	0.0	-69.83	359.04	8.20	-61.63
C[N@H+]1CC(NC(=O)C2CCC(C(=O)[O-])CC2)CC12CCCC2	REAL300006919856	1	50	0.0	-64.42	348.79	7.92	-56.50
C[N@@H+]1CC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919857	0	47	0.0	-79.27	357.16	8.87	-70.40
C[N@H+]1CC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919857	1	47	0.0	-81.73	361.51	8.98	-72.75
C[N@@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])N=N2)CC12CCCC2	REAL300006919858	0	43	0.0	-80.39	334.81	4.60	-75.79
C[N@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])N=N2)CC12CCCC2	REAL300006919858	1	43	0.0	-82.35	334.59	4.74	-77.61
CC1=NC(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)=CC=C1C(=O)[O-]	REAL300006919859	0	46	0.0	-61.43	347.36	6.95	-54.48
CC1=NC(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)=CC=C1C(=O)[O-]	REAL300006919859	1	46	0.0	-61.05	346.08	6.90	-54.15
C[N@@H+]1CC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC12CCCC2	REAL300006919860	0	44	0.0	-72.30	351.77	8.62	-63.68
C[N@H+]1CC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC12CCCC2	REAL300006919860	1	44	0.0	-70.62	354.05	8.71	-61.91
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919861	0	44	0.0	-71.28	336.67	8.46	-62.82
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919861	1	44	0.0	-70.60	330.51	7.86	-62.74
C[N@@H+]1CC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC12CCCC2	REAL300006919862	0	47	0.0	-71.32	352.66	8.77	-62.55
C[N@H+]1CC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC12CCCC2	REAL300006919862	1	47	0.0	-72.99	355.41	8.70	-64.29
C[N@@H+]1CC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC12CCCC2	REAL300006919863	0	54	0.0	-64.82	398.86	11.57	-53.25
C[N@H+]1CC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC12CCCC2	REAL300006919863	1	54	0.0	-56.33	398.39	11.51	-44.82
C[N@@H+]1CC(NC(=O)C2=C(CC(=O)[O-])OC=C2)CC12CCCC2	REAL300006919864	0	44	0.0	-67.77	336.16	7.07	-60.70
C[N@H+]1CC(NC(=O)C2=C(CC(=O)[O-])OC=C2)CC12CCCC2	REAL300006919864	1	44	0.0	-65.43	334.85	7.04	-58.39
CC1=COC(CC(=O)[O-])=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919865	0	47	0.0	-71.51	359.78	7.55	-63.96
CC1=COC(CC(=O)[O-])=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919865	1	47	0.0	-48.99	361.62	7.66	-41.33
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC=N2)CC12CCCC2	REAL300006919866	0	43	0.0	-67.02	331.59	6.23	-60.79
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC=N2)CC12CCCC2	REAL300006919866	1	43	0.0	-65.88	329.99	6.39	-59.49
C[N@@H+]1CC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC12CCCC2	REAL300006919867	0	53	0.0	-68.18	370.06	8.87	-59.31
C[N@H+]1CC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC12CCCC2	REAL300006919867	1	53	0.0	-75.83	381.64	9.23	-66.60
C[N@@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC12CCCC2	REAL300006919868	0	51	0.0	-64.80	366.19	8.48	-56.32
C[N@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC12CCCC2	REAL300006919868	1	51	0.0	-76.30	366.54	8.48	-67.82
C[N@@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCCC2	REAL300006919869	0	54	0.0	-72.97	376.56	8.86	-64.11
C[N@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCCC2	REAL300006919869	1	54	0.0	-73.98	380.60	9.20	-64.78
C[N@@H+]1CC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC12CCCC2	REAL300006919870	0	46	0.0	-73.70	354.48	7.46	-66.24
C[N@H+]1CC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC12CCCC2	REAL300006919870	1	46	0.0	-73.29	354.52	7.40	-65.89
C[N@@H+]1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCCC2	REAL300006919871	0	51	0.0	-77.31	385.84	8.88	-68.43
C[N@H+]1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCCC2	REAL300006919871	1	51	0.0	-76.76	384.52	8.79	-67.97
C[N@@H+]1CC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC12CCCC2	REAL300006919872	0	57	0.0	-67.68	411.81	10.86	-56.82
C[N@H+]1CC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC12CCCC2	REAL300006919872	1	57	0.0	-71.90	415.79	11.20	-60.70
CC1=C(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C=C(C(=O)[O-])O1	REAL300006919873	0	44	0.0	-64.78	337.13	7.10	-57.68
CC1=C(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C=C(C(=O)[O-])O1	REAL300006919873	1	44	0.0	-64.29	336.27	7.25	-57.04
CC1=C(C(=O)[O-])OC(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)=C1	REAL300006919874	0	44	0.0	-60.01	337.23	7.14	-52.87
CC1=C(C(=O)[O-])OC(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)=C1	REAL300006919874	1	44	0.0	-60.02	336.75	7.10	-52.92
C[N@@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])C=N2)CC12CCCC2	REAL300006919875	0	44	0.0	-76.67	340.05	6.06	-70.61
C[N@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])C=N2)CC12CCCC2	REAL300006919875	1	44	0.0	-78.24	339.88	6.28	-71.96
C[N@@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC12CCCC2	REAL300006919876	0	45	0.0	-64.05	352.17	7.75	-56.30
C[N@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC12CCCC2	REAL300006919876	1	45	0.0	-64.03	352.21	7.67	-56.36
C[N@@H+]1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCCC2	REAL300006919877	0	51	0.0	-53.28	364.86	8.82	-44.46
C[N@H+]1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCCC2	REAL300006919877	1	51	0.0	-46.55	364.12	8.65	-37.90
C[N@@H+]1CC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC12CCCC2	REAL300006919878	0	48	0.0	-71.40	367.69	8.74	-62.66
C[N@H+]1CC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC12CCCC2	REAL300006919878	1	48	0.0	-70.13	361.52	8.15	-61.98
C[N@@H+]1CC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCCC2	REAL300006919879	0	53	0.0	-83.28	403.78	8.95	-74.33
C[N@H+]1CC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCCC2	REAL300006919879	1	53	0.0	-74.10	404.40	9.12	-64.98
C[N@@H+]1CC(NC(=O)CCSCC(=O)[O-])CC12CCCC2	REAL300006919880	0	44	0.0	-68.57	343.79	7.39	-61.18
C[N@H+]1CC(NC(=O)CCSCC(=O)[O-])CC12CCCC2	REAL300006919880	1	44	0.0	-68.04	346.71	7.49	-60.55
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC12CCCC2	REAL300006919881	0	43	0.0	-61.16	330.28	6.43	-54.73
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC12CCCC2	REAL300006919881	1	43	0.0	-61.20	329.81	6.38	-54.82
CN1N=C(C(=O)[O-])C=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919882	0	44	0.0	-69.95	339.18	5.97	-63.98
CN1N=C(C(=O)[O-])C=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919882	1	44	0.0	-70.41	336.17	5.61	-64.80
C[C@@H]1C[C@H](C(=O)NC2C[N@H+](C)C3(CCCC3)C2)O[C@H]1C(=O)[O-]	REAL300006919883	0	48	0.0	-72.15	354.58	7.66	-64.49
C[C@@H]1C[C@H](C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)O[C@H]1C(=O)[O-]	REAL300006919883	1	48	0.0	-75.92	355.21	7.46	-68.46
C[N@@H+]1CC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC12CCCC2	REAL300006919884	0	47	0.0	-68.21	355.10	8.74	-59.47
C[N@H+]1CC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC12CCCC2	REAL300006919884	1	47	0.0	-65.90	352.70	8.63	-57.27
C[N@@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC12CCCC2	REAL300006919885	0	48	0.0	-73.28	368.76	9.74	-63.54
C[N@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC12CCCC2	REAL300006919885	1	48	0.0	-72.30	362.59	9.14	-63.16
C[N@@H+]1CC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC12CCCC2	REAL300006919886	0	45	0.0	-71.63	352.83	7.60	-64.03
C[N@H+]1CC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC12CCCC2	REAL300006919886	1	45	0.0	-70.36	355.03	7.73	-62.63
C[N@@H+]1CC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])CC12CCCC2	REAL300006919887	0	50	0.0	-73.15	368.66	9.70	-63.45
C[N@H+]1CC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])CC12CCCC2	REAL300006919887	1	50	0.0	-73.67	369.18	9.71	-63.96
C[N@@H+]1CC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)CC12CCCC2	REAL300006919888	0	47	0.0	-78.94	365.70	3.71	-75.23
C[N@H+]1CC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)CC12CCCC2	REAL300006919888	1	47	0.0	-80.26	369.61	4.02	-76.24
C[N@@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC12CCCC2	REAL300006919889	0	45	0.0	-67.72	354.37	7.96	-59.76
C[N@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC12CCCC2	REAL300006919889	1	45	0.0	-67.39	356.57	8.09	-59.30
CC1=CC=C(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C=C1C(=O)[O-]	REAL300006919890	0	47	0.0	-79.02	349.57	8.68	-70.34
CC1=CC=C(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C=C1C(=O)[O-]	REAL300006919890	1	47	0.0	-77.71	349.20	8.48	-69.23
C[N@@H+]1CC(NC(=O)C2=CN=CC(C(=O)[O-])=C2)CC12CCCC2	REAL300006919891	0	43	0.0	-71.50	328.03	6.18	-65.32
C[N@H+]1CC(NC(=O)C2=CN=CC(C(=O)[O-])=C2)CC12CCCC2	REAL300006919891	1	43	0.0	-70.42	327.53	6.32	-64.10
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919892	0	46	0.0	-59.17	344.15	6.98	-52.19
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919892	1	46	0.0	-59.02	343.87	6.98	-52.04
C[N@@H+]1CC(NC(=O)CN2C=CC(C(=O)[O-])=N2)CC12CCCC2	REAL300006919893	0	44	0.0	-89.43	336.81	6.16	-83.27
C[N@H+]1CC(NC(=O)CN2C=CC(C(=O)[O-])=N2)CC12CCCC2	REAL300006919893	1	44	0.0	-85.50	339.24	6.29	-79.21
C[N@@H+]1CC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC12CCCC2	REAL300006919894	0	50	0.0	-84.94	382.19	7.73	-77.21
C[N@H+]1CC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC12CCCC2	REAL300006919894	1	50	0.0	-86.10	382.68	7.51	-78.59
C[N@@H+]1CC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC12CCCC2	REAL300006919895	0	51	0.0	-75.61	376.79	7.88	-67.73
C[N@H+]1CC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC12CCCC2	REAL300006919895	1	51	0.0	-74.96	377.15	8.13	-66.83
C[N@@H+]1CC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC12CCCC2	REAL300006919896	0	51	0.0	-69.45	376.12	6.95	-62.50
C[N@H+]1CC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC12CCCC2	REAL300006919896	1	51	0.0	-67.92	377.34	7.11	-60.81
CC1=C(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)OC(C(=O)[O-])=C1	REAL300006919897	0	44	0.0	-59.51	337.94	7.24	-52.27
CC1=C(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)OC(C(=O)[O-])=C1	REAL300006919897	1	44	0.0	-60.20	336.64	7.20	-53.00
C[N@@H+]1CC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC12CCCC2	REAL300006919898	0	52	0.0	-48.55	358.56	9.63	-38.92
C[N@H+]1CC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC12CCCC2	REAL300006919898	1	52	0.0	-58.72	363.85	9.16	-49.56
C[N@@H+]1CC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC12CCCC2	REAL300006919899	0	50	0.0	-62.77	346.56	8.86	-53.91
C[N@H+]1CC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC12CCCC2	REAL300006919899	1	50	0.0	-61.08	348.50	9.03	-52.05
C[N@@H+]1CC(NC(=O)CN2CCCC(C(=O)[O-])C2)CC12CCCC2	REAL300006919900	1	52	0.0	-67.74	373.71	6.08	-61.66
C[N@H+]1CC(NC(=O)CN2CCCC(C(=O)[O-])C2)CC12CCCC2	REAL300006919900	1	52	0.0	-68.84	372.17	6.01	-62.83
C[N@@H+]1CC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC12CCCC2	REAL300006919901	0	51	0.0	-42.64	370.53	9.83	-32.81
C[N@H+]1CC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC12CCCC2	REAL300006919901	1	51	0.0	-47.58	372.86	10.24	-37.34
C[N@@H+]1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCCC2	REAL300006919902	0	51	0.0	-77.31	385.84	8.88	-68.43
C[N@H+]1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCCC2	REAL300006919902	1	51	0.0	-76.76	384.52	8.79	-67.97
C[N@@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC12CCCC2	REAL300006919903	0	51	0.0	-85.68	390.89	10.28	-75.40
C[N@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC12CCCC2	REAL300006919903	1	51	0.0	-89.16	390.15	10.23	-78.93
C[N@@H+]1CC(NC(=O)C2CC3(CC3C(=O)[O-])C2)CC12CCCC2	REAL300006919904	0	48	0.0	-54.44	354.97	8.27	-46.17
C[N@H+]1CC(NC(=O)C2CC3(CC3C(=O)[O-])C2)CC12CCCC2	REAL300006919904	1	48	0.0	-70.59	355.92	8.49	-62.10
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919905	0	50	0.0	-66.80	362.49	8.85	-57.95
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919905	1	50	0.0	-70.31	366.85	9.19	-61.12
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919906	0	47	0.0	-60.99	350.05	8.62	-52.37
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919906	1	47	0.0	-60.37	348.43	8.80	-51.57
C[N@@H+]1CC(NC(=O)C2=C(C(=O)[O-])SC=C2)CC12CCCC2	REAL300006919907	0	41	0.0	-70.84	320.10	8.10	-62.74
C[N@H+]1CC(NC(=O)C2=C(C(=O)[O-])SC=C2)CC12CCCC2	REAL300006919907	1	41	0.0	-69.54	319.90	8.07	-61.47
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919908	0	46	0.0	-68.90	338.54	6.93	-61.97
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919908	1	46	0.0	-68.80	341.03	6.98	-61.82
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919909	0	47	0.0	-72.12	350.02	8.63	-63.49
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919909	1	47	0.0	-70.84	352.77	8.95	-61.89
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC12CCCC2	REAL300006919910	0	44	0.0	-68.91	345.52	8.64	-60.27
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC12CCCC2	REAL300006919910	1	44	0.0	-70.56	346.67	8.67	-61.89
C[N@@H+]1CC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC12CCCC2	REAL300006919911	0	51	0.0	-72.99	374.64	9.02	-63.97
C[N@H+]1CC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC12CCCC2	REAL300006919911	1	51	0.0	-72.03	373.57	8.95	-63.08
COC1=CC(C(=O)[O-])=NC(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)=C1	REAL300006919912	0	47	0.0	-57.18	360.25	5.70	-51.48
COC1=CC(C(=O)[O-])=NC(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)=C1	REAL300006919912	1	47	0.0	-57.77	361.85	5.53	-52.24
CN1C(C(=O)[O-])=CC=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919913	0	45	0.0	-69.89	335.25	7.33	-62.56
CN1C(C(=O)[O-])=CC=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919913	1	45	0.0	-70.85	336.54	7.16	-63.69
C[N@@H+]1CC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC12CCCC2	REAL300006919914	0	50	0.0	-70.32	380.26	10.03	-60.29
C[N@H+]1CC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC12CCCC2	REAL300006919914	1	50	0.0	-69.08	374.09	9.44	-59.64
CC1=NNC(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)=C1C(=O)[O-]	REAL300006919915	0	44	0.0	-69.59	329.56	5.75	-63.84
CC1=NNC(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)=C1C(=O)[O-]	REAL300006919915	1	44	0.0	-67.93	327.93	5.93	-62.00
C[N@@H+]1CC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC12CCCC2	REAL300006919916	0	48	0.0	-70.16	367.08	8.46	-61.70
C[N@H+]1CC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC12CCCC2	REAL300006919916	1	48	0.0	-68.39	367.08	8.61	-59.78
C[N@@H+]1CC(NC(=O)C2=CSC(C(=O)[O-])=N2)CC12CCCC2	REAL300006919917	0	40	0.0	-56.42	322.29	5.30	-51.12
C[N@H+]1CC(NC(=O)C2=CSC(C(=O)[O-])=N2)CC12CCCC2	REAL300006919917	1	40	0.0	-56.20	322.32	5.24	-50.96
CC1=C(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C=C(C(=O)[O-])S1	REAL300006919918	0	44	0.0	-61.22	342.13	8.00	-53.22
CC1=C(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C=C(C(=O)[O-])S1	REAL300006919918	1	44	0.0	-61.03	342.83	7.98	-53.05
C[N@@H+]1CC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC12CCCC2	REAL300006919919	0	44	0.0	-71.09	362.85	8.72	-62.37
C[N@H+]1CC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC12CCCC2	REAL300006919919	1	44	0.0	-72.65	364.00	8.74	-63.91
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)=C1	REAL300006919920	0	48	0.0	-70.92	369.99	7.81	-63.11
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)=C1	REAL300006919920	1	48	0.0	-72.23	371.71	7.62	-64.61
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919921	0	47	0.0	-64.85	361.74	8.58	-56.27
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919921	1	47	0.0	-62.53	364.34	8.74	-53.79
C[N@@H+]1CC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC12CCCC2	REAL300006919922	0	47	0.0	-76.33	369.16	9.22	-67.11
C[N@H+]1CC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC12CCCC2	REAL300006919922	1	47	0.0	-74.90	367.45	9.41	-65.49
C[N@@H+]1CC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])CC12CCCC2	REAL300006919923	0	49	0.0	-65.26	366.70	7.42	-57.84
C[N@H+]1CC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])CC12CCCC2	REAL300006919923	1	49	0.0	-65.52	370.49	7.76	-57.76
C[N@@H+]1CC(NC(=O)C23CC(C(=O)[O-])(C2)CO3)CC12CCCC2	REAL300006919924	0	46	0.0	-64.09	343.52	5.72	-58.37
C[N@H+]1CC(NC(=O)C23CC(C(=O)[O-])(C2)CO3)CC12CCCC2	REAL300006919924	1	46	0.0	-62.99	342.95	5.69	-57.30
C[N@@H+]1CC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919925	0	48	0.0	-75.22	367.37	9.16	-66.06
C[N@H+]1CC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC12CCCC2	REAL300006919925	1	48	0.0	-74.31	367.25	9.31	-65.00
C[N@@H+]1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCCC2	REAL300006919926	0	51	0.0	-53.28	364.86	8.82	-44.46
C[N@H+]1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCCC2	REAL300006919926	1	51	0.0	-46.55	364.12	8.65	-37.90
CN1N=CC(C(=O)[O-])=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919927	0	44	0.0	-68.32	338.46	5.54	-62.78
CN1N=CC(C(=O)[O-])=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919927	1	44	0.0	-72.58	336.38	5.43	-67.15
C[N@@H+]1CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC12CCCC2	REAL300006919928	0	45	0.0	-63.30	359.16	6.96	-56.34
C[N@H+]1CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC12CCCC2	REAL300006919928	1	45	0.0	-62.46	357.56	7.12	-55.34
C[N@@H+]1CC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC12CCCC2	REAL300006919929	0	45	0.0	-72.76	358.40	7.29	-65.47
C[N@H+]1CC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC12CCCC2	REAL300006919929	1	45	0.0	-73.83	359.54	7.31	-66.52
C[N@@H+]1CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC12CCCC2	REAL300006919930	0	45	0.0	-64.14	349.14	6.31	-57.83
C[N@H+]1CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC12CCCC2	REAL300006919930	1	45	0.0	-64.06	348.81	6.29	-57.77
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919931	0	47	0.0	-76.62	344.15	8.51	-68.11
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919931	1	47	0.0	-75.35	342.53	8.68	-66.67
C[N@@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC12CCCC2	REAL300006919932	0	47	0.0	-76.88	360.78	7.42	-69.46
C[N@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC12CCCC2	REAL300006919932	1	47	0.0	-76.10	363.24	7.60	-68.50
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CS2)CC12CCCC2	REAL300006919933	0	41	0.0	-74.00	327.22	6.96	-67.04
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CS2)CC12CCCC2	REAL300006919933	1	41	0.0	-72.87	325.52	7.13	-65.74
C[N@@H+]1CC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC12CCCC2	REAL300006919934	0	49	0.0	-67.27	350.40	6.52	-60.75
C[N@H+]1CC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC12CCCC2	REAL300006919934	1	49	0.0	-62.75	352.66	6.61	-56.14
C[N@@H+]1CC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC12CCCC2	REAL300006919935	0	50	0.0	-78.61	370.01	10.02	-68.59
C[N@H+]1CC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC12CCCC2	REAL300006919935	1	50	0.0	-78.65	369.14	10.19	-68.46
CC(C)[C@]1(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C[C@H]1C(=O)[O-]	REAL300006919936	0	50	0.0	-42.55	359.68	8.00	-34.55
CC(C)[C@]1(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C[C@H]1C(=O)[O-]	REAL300006919936	1	50	0.0	-46.63	362.13	8.05	-38.58
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300006919937	0	50	0.0	-80.31	374.24	9.30	-71.01
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300006919937	1	50	0.0	-81.33	373.52	9.26	-72.07
C[N@@H+]1CC(NC(=O)CC2=CC(C(=O)[O-])=CS2)CC12CCCC2	REAL300006919938	0	44	0.0	-77.86	349.20	7.76	-70.10
C[N@H+]1CC(NC(=O)CC2=CC(C(=O)[O-])=CS2)CC12CCCC2	REAL300006919938	1	44	0.0	-79.79	353.25	8.10	-71.69
C[N@@H+]1CC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC12CCCC2	REAL300006919939	0	47	0.0	-82.63	362.20	8.66	-73.97
C[N@H+]1CC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC12CCCC2	REAL300006919939	1	47	0.0	-84.70	362.37	8.82	-75.88
C[N@@H+]1CC(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC12CCCC2	REAL300006919940	0	51	0.0	-64.84	381.71	9.65	-55.19
C[N@H+]1CC(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC12CCCC2	REAL300006919940	1	51	0.0	-65.33	382.14	9.65	-55.68
C[N@@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCCC2	REAL300006919941	0	54	0.0	-72.97	376.56	8.86	-64.11
C[N@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCCC2	REAL300006919941	1	54	0.0	-73.98	380.60	9.20	-64.78
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C1	REAL300006920016	0	50	0.0	-42.34	364.78	10.21	-32.13
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C1	REAL300006920016	1	50	0.0	-45.82	370.85	10.92	-34.90
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3=CC(O)=CC(F)=C3)C2)C1	REAL300006920140	0	51	0.0	-50.93	388.39	8.13	-42.80
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3=CC(O)=CC(F)=C3)C2)C1	REAL300006920140	1	51	0.0	-47.47	381.67	7.67	-39.80
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300006920191	1	42	0.0	-69.50	347.20	8.09	-61.41
CN(C)C1=CC=C(CCNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=[NH+]1	REAL300006920192	1	46	0.0	-75.38	377.41	8.39	-66.99
CN(C)C1=CC=C(CCNC(=O)C2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300006920193	1	42	0.0	-78.46	345.94	8.11	-70.35
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])S2)C=[NH+]1	REAL300006920194	1	39	0.0	-62.98	341.50	7.25	-55.73
CN(C)C1=CC=C(CCNC(=O)C2=CC=CC(C(=O)[O-])=N2)C=[NH+]1	REAL300006920195	1	41	0.0	-59.14	344.05	6.39	-52.75
CC(SC1=CC=CC=C1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300006920196	1	49	0.0	-74.73	398.77	9.89	-64.84
CCOC1=CC(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)=CC=C1OCC(=O)[O-]	REAL300006920197	1	53	0.0	-74.55	429.37	9.08	-65.47
CN(C)C1=CC=C(CCNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300006920198	1	48	0.0	-73.43	392.39	9.61	-63.82
CN(C)C1=CC=C(CCNC(=O)C2=CC=NC(C(=O)[O-])=C2)C=[NH+]1	REAL300006920199	1	41	0.0	-80.78	342.02	6.35	-74.43
CN(C)C1=CC=C(CCNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300006920200	1	46	0.0	-73.09	380.85	9.32	-63.77
CN(C)C1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=[NH+]1	REAL300006920201	1	44	0.0	-57.48	374.10	8.78	-48.70
CN(C)C1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=[NH+]1	REAL300006920202	1	44	0.0	-57.48	374.10	8.78	-48.70
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C=C1	REAL300006920203	1	52	0.0	-74.69	422.28	9.69	-65.00
CN(C)C1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C=[NH+]1	REAL300006920204	1	49	0.0	-72.03	403.83	9.12	-62.91
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])O2)C=[NH+]1	REAL300006920205	1	39	0.0	-59.08	332.76	6.52	-52.56
CN(C)C1=CC=C(CCNC(=O)CCC2=CC=CC=C2C(=O)[O-])C=[NH+]1	REAL300006920206	1	48	0.0	-64.88	382.66	9.34	-55.54
CC1=CC(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)=CC(C)=C1OCC(=O)[O-]	REAL300006920207	1	52	0.0	-71.49	421.42	9.95	-61.54
CN(C)C1=CC=C(CCNC(=O)CC2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300006920208	1	45	0.0	-76.20	371.98	8.80	-67.40
CN(C)C1=CC=C(CCNC(=O)C2CCCC(C(=O)[O-])C2)C=[NH+]1	REAL300006920209	1	48	0.0	-75.57	373.42	8.37	-67.20
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])N=C2)C=[NH+]1	REAL300006920210	1	41	0.0	-69.75	341.85	6.36	-63.39
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=N2)C=[NH+]1	REAL300006920211	1	41	0.0	-60.36	344.71	6.40	-53.96
CN(C)C1=CC=C(CCNC(=O)CC(C)(C)CC(=O)[O-])C=[NH+]1	REAL300006920212	1	47	0.0	-67.38	356.37	7.51	-59.87
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=C2F)C=[NH+]1	REAL300006920213	1	42	0.0	-69.64	350.69	8.21	-61.43
CN(C)C1=CC=C(CCNC(=O)C2=CN=C(C(=O)[O-])C=N2)C=[NH+]1	REAL300006920214	1	40	0.0	-62.78	339.31	4.52	-58.26
CN(C)C1=CC=C(CCNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C=[NH+]1	REAL300006920215	1	48	0.0	-68.10	370.75	8.33	-59.77
CN(C)C1=CC=C(CCNC(=O)C2CCC(C(=O)[O-])CC2)C=[NH+]1	REAL300006920216	1	48	0.0	-72.80	365.93	8.21	-64.59
CN(C)C1=CC=C(CCNC(=O)CC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300006920217	1	45	0.0	-79.01	370.62	8.79	-70.22
CN(C)C1=CC=C(CCNC(=O)CN2C=C(C(=O)[O-])N=N2)C=[NH+]1	REAL300006920218	1	41	0.0	-80.64	349.02	4.73	-75.91
CC1=NC(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)=CC=C1C(=O)[O-]	REAL300006920219	1	44	0.0	-60.33	360.00	6.91	-53.42
CN(C)C1=CC=C(CCNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300006920220	1	42	0.0	-71.30	368.50	8.68	-62.62
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300006920221	1	42	0.0	-69.50	347.20	8.09	-61.41
CN(C)C1=CC=C(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300006920222	1	45	0.0	-73.41	354.50	7.68	-65.73
CN(C)C1=CC=C(CCNC(=O)C2=CC=CC(CC(=O)[O-])=C2)C=[NH+]1	REAL300006920223	1	45	0.0	-72.49	368.12	8.88	-63.61
CN(C)C1=CC=C(CCNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C=[NH+]1	REAL300006920224	1	52	0.0	-68.97	413.36	11.51	-57.46
CN(C)C1=CC=C(CCNC(=O)C2=C(CC(=O)[O-])OC=C2)C=[NH+]1	REAL300006920225	1	42	0.0	-70.33	348.38	7.02	-63.31
CC1=COC(CC(=O)[O-])=C1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300006920226	1	45	0.0	-57.02	375.24	7.65	-49.37
CN(C)C1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=CC=N2)C=[NH+]1	REAL300006920227	1	41	0.0	-67.12	343.92	6.41	-60.71
CN(C)C1=CC=C(CCNC(=O)C23CC(C(=O)[O-])(C2)C3)C=[NH+]1	REAL300006920228	1	43	0.0	-67.49	349.76	7.69	-59.80
CN(C)C1=CC=C(CCNC(=O)CC2CCC(C(=O)[O-])CC2)C=[NH+]1	REAL300006920229	1	51	0.0	-73.85	392.02	9.01	-64.84
CN(C)C1=CC=C(CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)C=[NH+]1	REAL300006920230	1	49	0.0	-76.36	380.13	8.50	-67.86
CN(C)C1=CC=C(CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C=[NH+]1	REAL300006920231	1	52	0.0	-70.93	390.77	8.98	-61.95
CN(C)C1=CC=C(CCNC(=O)CC(C)(C)CC(=O)[O-])C=[NH+]1	REAL300006920232	1	47	0.0	-67.38	356.37	7.51	-59.87
CN(C)C1=CC=C(CCNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C=[NH+]1	REAL300006920233	1	44	0.0	-71.89	368.19	7.42	-64.47
CN(C)C1=CC=C(CCNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C=[NH+]1	REAL300006920234	1	49	0.0	-76.45	398.48	8.83	-67.62
CN(C)C1=CC=C(CCNC(=O)C2=NOC(C(=O)[O-])=C2)C=[NH+]1	REAL300006920235	1	38	0.0	-58.48	327.20	5.68	-52.80
CN(C)C1=CC=C(CCNC(=O)C2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300006920236	1	45	0.0	-56.52	350.33	7.81	-48.71
CN(C)C1=CC=C(CCNC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C=[NH+]1	REAL300006920237	1	55	0.0	-69.21	426.12	10.98	-58.23
CC1=C(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C=C(C(=O)[O-])O1	REAL300006920238	1	42	0.0	-63.17	350.43	7.27	-55.90
CC1=C(C(=O)[O-])OC(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)=C1	REAL300006920239	1	42	0.0	-59.42	351.65	7.11	-52.31
CN(C)C1=CC=C(CCNC(=O)CN2C=C(C(=O)[O-])C=N2)C=[NH+]1	REAL300006920240	1	42	0.0	-76.89	354.05	6.27	-70.62
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C=CC(=O)[O-])O2)C=[NH+]1	REAL300006920241	1	43	0.0	-62.76	365.49	7.70	-55.06
CN(C)C1=CC=C(CCNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C=[NH+]1	REAL300006920242	1	49	0.0	-51.51	378.34	8.78	-42.73
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=[NH+]1	REAL300006920243	1	46	0.0	-69.13	378.31	8.40	-60.73
CN(C)C1=CC=C(CCNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C=[NH+]1	REAL300006920244	1	51	0.0	-76.33	414.50	8.69	-67.64
CN(C)C1=CC=C(CCNC(=O)CCSCC(=O)[O-])C=[NH+]1	REAL300006920245	1	42	0.0	-66.35	357.14	7.32	-59.03
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=N2)C=[NH+]1	REAL300006920246	1	41	0.0	-60.36	344.71	6.40	-53.96
CN(C)C1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=NN2C)C=[NH+]1	REAL300006920247	1	42	0.0	-68.32	348.07	5.77	-62.55
C[C@@H]1C[C@H](C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)O[C@H]1C(=O)[O-]	REAL300006920248	1	46	0.0	-75.12	368.69	7.63	-67.49
CN(C)C1=CC=C(CCNC(=O)C(C)(C)CCC(=O)[O-])C=[NH+]1	REAL300006920249	1	47	0.0	-72.55	365.18	7.63	-64.92
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(CC(=O)[O-])C=C2)C=[NH+]1	REAL300006920250	1	45	0.0	-66.34	369.48	8.90	-57.44
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=[NH+]1	REAL300006920251	1	46	0.0	-70.87	378.40	9.42	-61.45
CN(C)C1=CC=C(CCNC(=O)C=CC2=CC(C(=O)[O-])=CO2)C=[NH+]1	REAL300006920252	1	43	0.0	-69.46	366.28	7.52	-61.94
CN(C)C1=CC=C(CCNC(=O)C2=CC=CC=C2CCC(=O)[O-])C=[NH+]1	REAL300006920253	1	48	0.0	-73.44	382.30	9.66	-63.78
CN(C)C1=CC=C(CCNC(=O)COCC2=C(C(=O)[O-])N=CO2)C=[NH+]1	REAL300006920254	1	45	0.0	-77.69	380.09	3.86	-73.83
CN(C)C1=CC=C(CCNC(=O)C=CC2=CC=C(C(=O)[O-])O2)C=[NH+]1	REAL300006920255	1	43	0.0	-66.21	367.82	7.89	-58.32
CN(C)C1=CC=C(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300006920256	1	45	0.0	-73.41	354.50	7.68	-65.73
CC1=CC=C(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C=C1C(=O)[O-]	REAL300006920257	1	45	0.0	-79.51	366.38	8.75	-70.76
CN(C)C1=CC=C(CCNC(=O)C2=CN=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300006920258	1	41	0.0	-70.94	341.13	6.35	-64.59
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300006920259	1	44	0.0	-58.03	357.19	6.96	-51.07
CN(C)C1=CC=C(CCNC(=O)CN2C=CC(C(=O)[O-])=N2)C=[NH+]1	REAL300006920260	1	42	0.0	-86.36	352.40	6.29	-80.07
CN(C)C1=CC=C(CCNC(=O)CCCN2C=CC(C(=O)[O-])=N2)C=[NH+]1	REAL300006920261	1	48	0.0	-87.38	396.99	7.67	-79.71
CN(C)C1=CC=C(CCNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C=[NH+]1	REAL300006920262	1	49	0.0	-76.03	390.14	8.07	-67.96
CN(C)C1=CC=C(CCNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C=[NH+]1	REAL300006920263	1	49	0.0	-68.67	390.00	6.88	-61.79
CC1=C(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)OC(C(=O)[O-])=C1	REAL300006920264	1	42	0.0	-59.40	351.54	7.21	-52.19
CN(C)C1=CC=C(CCNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300006920265	1	50	0.0	-56.64	376.54	9.46	-47.18
CN(C)C1=CC=C(CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C=[NH+]1	REAL300006920266	1	48	0.0	-68.37	360.67	8.90	-59.47
CN(C)C1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300006920267	0	50	0.0	-52.83	380.64	8.00	-44.83
CN(C)C1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300006920267	1	50	0.0	-49.94	379.29	7.45	-42.49
CN(C)C1=CC=C(CCNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C=[NH+]1	REAL300006920268	1	49	0.0	-49.05	386.09	9.97	-39.08
CN(C)C1=CC=C(CCNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C=[NH+]1	REAL300006920269	1	49	0.0	-76.45	398.48	8.83	-67.62
CN(C)C1=CC=C(CCNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C=[NH+]1	REAL300006920270	1	49	0.0	-87.70	405.22	10.20	-77.50
CN(C)C1=CC=C(CCNC(=O)C2CC3(CC3C(=O)[O-])C2)C=[NH+]1	REAL300006920271	1	46	0.0	-69.72	370.11	8.53	-61.19
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300006920272	1	48	0.0	-74.33	379.06	8.90	-65.43
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300006920273	1	45	0.0	-59.86	361.69	8.82	-51.04
CN(C)C1=CC=C(CCNC(=O)C2CC(C)(C(=O)[O-])C2)C=[NH+]1	REAL300006920274	1	45	0.0	-62.40	356.47	7.53	-54.87
CN(C)C1=CC=C(CCNC(=O)C2=C(C(=O)[O-])SC=C2)C=[NH+]1	REAL300006920275	1	39	0.0	-75.70	334.34	8.06	-67.64
CN(C)C1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=NN2)C=[NH+]1	REAL300006920276	1	39	0.0	-73.59	330.19	4.54	-69.05
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300006920277	1	44	0.0	-68.22	351.47	6.85	-61.37
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300006920278	1	45	0.0	-69.65	362.36	8.80	-60.85
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=[NH+]1	REAL300006920279	1	42	0.0	-68.25	358.81	8.63	-59.62
CN(C)C1=CC=C(CCNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C=[NH+]1	REAL300006920280	1	49	0.0	-70.93	387.25	8.97	-61.96
COC1=CC(C(=O)[O-])=NC(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)=C1	REAL300006920281	1	45	0.0	-57.11	375.06	5.68	-51.43
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])N2C)C=[NH+]1	REAL300006920282	1	43	0.0	-69.56	348.74	7.33	-62.23
CN(C)C1=CC=C(CCNC(=O)C2(C(=O)[O-])CC=CC2)C=[NH+]1	REAL300006920283	1	43	0.0	-55.97	342.82	7.66	-48.31
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=[NH+]1	REAL300006920284	1	48	0.0	-68.36	390.88	9.71	-58.65
CC1=NNC(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)=C1C(=O)[O-]	REAL300006920285	1	42	0.0	-71.35	341.87	5.94	-65.41
CN(C)C1=CC=C(CCNC(=O)CC2(CC(=O)[O-])CC2)C=[NH+]1	REAL300006920286	1	45	0.0	-61.69	357.16	7.85	-53.84
CN(C)C1=CC=C(CCNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C=[NH+]1	REAL300006920287	1	46	0.0	-68.24	380.39	8.61	-59.63
CN(C)C1=CC=C(CCNC(=O)C2=CSC(C(=O)[O-])=N2)C=[NH+]1	REAL300006920288	1	38	0.0	-56.43	336.88	5.23	-51.20
CC1=C(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C=C(C(=O)[O-])S1	REAL300006920289	1	42	0.0	-60.57	356.55	7.96	-52.61
CN(C)C1=CC=C(CCNC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C=[NH+]1	REAL300006920290	1	42	0.0	-70.06	375.98	8.71	-61.35
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)=C1	REAL300006920291	1	46	0.0	-71.65	384.92	7.76	-63.89
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300006920292	1	45	0.0	-62.97	374.10	8.53	-54.44
CN(C)C1=CC=C(CCNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C=[NH+]1	REAL300006920293	1	45	0.0	-77.15	381.50	9.40	-67.75
CN(C)C1=CC=C(CCNC(=O)CCC2=CC=CN=C2C(=O)[O-])C=[NH+]1	REAL300006920294	1	47	0.0	-72.14	379.69	7.61	-64.53
CN(C)C1=CC=C(CCNC(=O)C23CC(C(=O)[O-])(C2)CO3)C=[NH+]1	REAL300006920295	1	44	0.0	-63.05	355.97	5.72	-57.33
CN(C)C1=CC=C(CCNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300006920296	1	46	0.0	-73.01	381.82	9.32	-63.69
CN(C)C1=CC=C(CCNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C=[NH+]1	REAL300006920297	1	49	0.0	-51.51	378.34	8.78	-42.73
CN(C)C1=CC=C(CCNC(=O)C2=C(C(=O)[O-])C=NN2C)C=[NH+]1	REAL300006920298	1	42	0.0	-68.58	353.18	5.50	-63.08
CN(C)C1=CC=C(CCNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C=[NH+]1	REAL300006920299	1	43	0.0	-61.74	372.47	7.14	-54.60
CN(C)C1=CC=C(CCNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C=[NH+]1	REAL300006920300	1	43	0.0	-70.80	371.30	7.25	-63.55
CN(C)C1=CC=C(CCNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C=[NH+]1	REAL300006920301	1	43	0.0	-63.09	362.85	6.27	-56.82
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300006920302	1	45	0.0	-75.53	356.48	8.67	-66.86
CN(C)C1=CC=C(CCNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C=[NH+]1	REAL300006920303	1	45	0.0	-74.67	376.62	7.54	-67.13
C=C1CCC1(C(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300006920304	1	43	0.0	-55.05	348.59	7.45	-47.60
CN(C)C1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=CS2)C=[NH+]1	REAL300006920305	1	39	0.0	-73.42	339.55	7.13	-66.29
CN(C)C1=CC=C(CCNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300006920306	1	47	0.0	-62.29	367.73	6.38	-55.91
CN(C)C1=CC=C(CCNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C=[NH+]1	REAL300006920307	1	48	0.0	-75.48	382.32	10.18	-65.30
CC(C)[C@]1(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C[C@H]1C(=O)[O-]	REAL300006920308	1	48	0.0	-69.94	374.34	8.29	-61.65
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300006920309	1	48	0.0	-80.30	388.59	9.22	-71.08
CN(C)C1=CC=C(CCNC(=O)CC2=CC(C(=O)[O-])=CS2)C=[NH+]1	REAL300006920310	1	42	0.0	-75.71	362.54	7.94	-67.77
CN(C)C1=CC=C(CCNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C=[NH+]1	REAL300006920311	1	45	0.0	-81.61	375.54	8.83	-72.78
CN(C)C1=CC=C(CCNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C=[NH+]1	REAL300006920312	1	45	0.0	-61.82	352.96	7.66	-54.16
CN(C)C1=CC=C(CCNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C=[NH+]1	REAL300006920313	1	49	0.0	-63.93	394.95	9.64	-54.29
CN(C)C1=CC=C(CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C=[NH+]1	REAL300006920314	1	52	0.0	-70.93	390.77	8.98	-61.95
CC(C)C1C2=CC=CC=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006920613	0	53	0.0	-49.60	377.36	11.62	-37.98
CC(C)C1C2=CC=CC=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006920613	1	53	0.0	-44.50	376.98	11.34	-33.16
CCO[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006920688	0	50	0.0	-46.49	366.96	7.11	-39.38
CCO[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006920688	1	50	0.0	-47.68	373.15	7.14	-40.54
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=C(F)C=C2)C2CC2)C1	REAL300006920781	0	47	0.0	-49.03	359.44	9.78	-39.25
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=C(F)C=C2)C2CC2)C1	REAL300006920781	1	47	0.0	-48.07	355.69	9.85	-38.22
CC1C(C2=CC=C(F)C(F)=C2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006920898	0	50	0.0	-54.31	381.42	10.98	-43.33
CC1C(C2=CC=C(F)C(F)=C2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006920898	1	50	0.0	-53.36	390.88	11.16	-42.20
CC1=CC=C(Cl)C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300006921016	0	50	0.0	-48.82	385.35	11.87	-36.95
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CC1=CC=C(N2CCC(C(=O)NCC3(C(=O)[O-])CC4(CCC4)C3)CC2)[NH+]=C1	REAL300006926278	1	56	0.0	-58.89	418.28	9.67	-49.22
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3(C(=O)[O-])CC4(CCC4)C3)C=C2)CC1	REAL300006926283	0	62	0.0	-70.64	450.42	10.45	-60.19
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C[NH+](C)CCC1=CC=CC(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300006927391	0	53	0.0	-72.47	405.12	10.91	-61.56
C[NH+](C)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300006927399	0	54	0.0	-69.25	412.42	9.85	-59.40
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CC1C[N@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC4(CCC4)C3)C=C2)CCO1	REAL300006927502	1	58	0.0	-70.77	429.82	10.25	-60.52
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC4(CCC4)C3)C=C2)CCO1	REAL300006927502	1	58	0.0	-70.77	429.82	10.25	-60.52
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CC(C)C[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006927617	1	56	0.0	-56.36	405.90	10.18	-46.18
CC[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006927618	0	50	0.0	-55.99	367.42	8.75	-47.24
CC[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300006927618	1	50	0.0	-52.83	360.24	9.06	-43.77
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CC1(C(F)(F)F)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006928269	0	46	0.0	-50.08	343.85	8.63	-41.45
CC1(C(F)(F)F)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006928269	1	46	0.0	-46.66	336.35	8.17	-38.49
CN1C=C(C23CCC2CCN3C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300006928385	0	51	0.0	-54.75	374.54	9.04	-45.71
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CCC(C(=O)N1CCC(C(=O)[O-])C12CCC2)[N@@H+]1CCOC(CC)C1	REAL300006931303	1	54	0.0	-66.83	371.17	8.10	-58.73
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CCN1CCC([NH+]2CCC(C(=O)N3CCC(C(=O)[O-])C34CCC4)CC2)CC1	REAL300006931306	0	62	0.0	-75.94	423.23	9.07	-66.87
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CC1=C(C(=O)N2CCC(C(=O)[O-])C23CCC3)C=NN1C1=CC=[NH+]C=C1	REAL300006931339	1	45	0.0	-79.28	340.88	7.78	-71.50
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CC(C(=O)N1CCC(C(=O)[O-])C12CCC2)[NH+]1CCSCC1	REAL300006931399	1	45	0.0	-70.93	331.06	8.28	-62.65
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])C12CCC2	REAL300006931406	0	50	0.0	-76.04	371.91	10.78	-65.26
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])C12CCC2	REAL300006931406	1	50	0.0	-76.19	371.91	10.78	-65.41
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])C12CCC2	REAL300006931407	0	54	0.0	-75.08	401.13	7.01	-68.07
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])C12CCC2	REAL300006931407	1	54	0.0	-74.98	401.38	7.00	-67.98
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])C23CCC3)C1	REAL300006931410	0	48	0.0	-67.13	333.28	6.35	-60.78
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])C23CCC3)C1	REAL300006931410	1	48	0.0	-73.90	330.31	6.45	-67.45
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CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])C23CCC3)CC1	REAL300006931458	1	58	0.0	-74.75	406.36	8.13	-66.62
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CC(C(=O)N1CCC(C(=O)[O-])C12CCC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006931473	0	51	0.0	-71.60	364.39	10.61	-60.99
CC(C(=O)N1CCC(C(=O)[O-])C12CCC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300006931473	1	51	0.0	-70.18	362.57	10.49	-59.69
CC(C(=O)N1CCC(C(=O)[O-])C12CCC2)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300006931475	1	56	0.0	-75.19	407.15	9.50	-65.69
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COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300006933330	0	59	0.0	-72.69	449.57	8.38	-64.31
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)C(OC)C(=O)[O-])CC1	REAL300006933331	0	53	0.0	-64.35	413.39	6.38	-57.97
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])CC1	REAL300006933332	0	56	0.0	-86.31	421.89	8.65	-77.66
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)C(C)C(=O)[O-])CC1	REAL300006933333	0	52	0.0	-81.25	400.66	7.28	-73.97
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)C2(C(=O)[O-])CC2C)CC1	REAL300006933334	0	56	0.0	-58.15	424.50	7.92	-50.23
C=C1CCC1(C(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1	REAL300006933335	0	57	0.0	-61.77	438.21	8.12	-53.65
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1	REAL300006933336	0	59	0.0	-73.17	439.46	8.11	-65.06
CC1(CS(C)(=O)=O)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006933418	0	52	0.0	-53.75	380.36	6.16	-47.59
CC1(CS(C)(=O)=O)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006933418	1	52	0.0	-52.67	372.92	5.72	-46.95
CC(C)(C)O[C@@H]1C[C@H](CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C12CCC2	REAL300006933549	0	60	0.0	-48.61	440.54	9.36	-39.25
CC(C)(C)O[C@@H]1C[C@H](CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C12CCC2	REAL300006933549	1	60	0.0	-48.69	434.33	9.38	-39.31
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3=CC=C(F)C(O)=C3)C2)C1	REAL300006933678	0	51	0.0	-52.32	388.19	8.14	-44.18
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3=CC=C(F)C(O)=C3)C2)C1	REAL300006933678	1	51	0.0	-48.90	381.48	7.67	-41.23
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(COC(F)(F)F)C2)C1	REAL300006933806	0	47	0.0	-45.28	359.20	7.33	-37.95
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(COC(F)(F)F)C2)C1	REAL300006933806	1	47	0.0	-48.57	365.85	7.78	-40.79
COC(C)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006933922	0	47	0.0	-52.21	358.84	7.83	-44.38
COC(C)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300006933922	1	47	0.0	-51.06	365.19	7.79	-43.27
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2Cl)C1	REAL300006934039	0	47	0.0	-51.66	395.18	10.42	-41.24
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2Cl)C1	REAL300006934039	1	47	0.0	-52.46	389.01	10.41	-42.05
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C(F)(F)F)CC3CCC2CC3)C1	REAL300006934159	0	53	0.0	-47.70	380.32	9.64	-38.06
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C(F)(F)F)CC3CCC2CC3)C1	REAL300006934159	1	53	0.0	-46.49	380.45	9.62	-36.87
CC1(C)OC2(CNC(=O)C3CC[NH+](C4CC4)CC3)CCC1(C(=O)[O-])CC2	REAL300006935974	0	58	0.0	-69.60	404.80	8.40	-61.20
CC1(C)OC2(CNC(=O)C3CCC[N@@H+]3C3CC3)CCC1(C(=O)[O-])CC2	REAL300006935998	0	55	0.0	-63.51	392.89	8.04	-55.47
CC1(C)OC2(CNC(=O)C3CCC[N@H+]3C3CC3)CCC1(C(=O)[O-])CC2	REAL300006935998	1	55	0.0	-66.36	385.78	7.38	-58.98
CC1=[NH+]C=C2CCC(C(=O)NCC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)CN21	REAL300006936004	1	56	0.0	-63.97	403.02	8.27	-55.70
C[N@@H+]1CCCCC1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936071	0	54	0.0	-65.04	365.62	6.90	-58.14
C[N@H+]1CCCCC1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936071	1	54	0.0	-65.83	377.40	7.13	-58.70
CC(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)N1CC[NH+](C)CC1	REAL300006936072	1	59	0.0	-70.23	406.25	5.36	-64.87
C[N@@H+]1CCCC[C@H]1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936107	0	54	0.0	-64.74	377.41	7.13	-57.61
C[N@H+]1CCCC[C@H]1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936107	1	54	0.0	-67.79	367.98	6.97	-60.82
C[NH+]1CCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006936170	0	54	0.0	-72.40	379.95	7.19	-65.21
CC1(C)OC2(CNC(=O)C3=CN4C=[NH+]C=C4C=C3)CCC1(C(=O)[O-])CC2	REAL300006936200	0	49	0.0	-70.78	365.48	9.03	-61.75
C[NH+](C)CC1(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CCCCC1	REAL300006936229	0	63	0.0	-68.08	420.52	9.04	-59.04
C[N@H+](CCC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCCCC1	REAL300006936234	0	63	0.0	-71.11	433.72	9.12	-61.99
C[N@@H+](CCC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCCCC1	REAL300006936234	1	63	0.0	-71.02	433.73	9.11	-61.91
C[N@@H+]1CCCC1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936248	0	51	0.0	-67.77	355.68	6.13	-61.64
C[N@H+]1CCCC1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936248	1	51	0.0	-66.73	355.47	6.09	-60.64
C[NH+]1CCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006936298	0	54	0.0	-72.40	379.95	7.19	-65.21
CC1(C)OC2(CNC(=O)C3CCCC[N@@H+]3C3CCCC3)CCC1(C(=O)[O-])CC2	REAL300006936311	0	64	0.0	-62.82	425.88	9.40	-53.42
CC1(C)OC2(CNC(=O)C3CCCC[N@H+]3C3CCCC3)CCC1(C(=O)[O-])CC2	REAL300006936311	1	64	0.0	-63.77	427.85	9.44	-54.33
CC1=[NH+]C=CN1CCCC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936342	1	55	0.0	-67.33	406.28	8.44	-58.89
CC1(C)OC2(CNC(=O)CCCC[NH+]3CCOCC3)CCC1(C(=O)[O-])CC2	REAL300006936343	1	61	0.0	-73.74	433.57	7.12	-66.62
C[C@@H](C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[NH+](C)C	REAL300006936349	0	50	0.0	-68.19	353.59	5.94	-62.25
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936350	0	51	0.0	-68.11	355.45	6.10	-62.01
C[N@H+]1CCC[C@@H]1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936350	1	51	0.0	-65.92	361.62	6.60	-59.32
C[C@H](C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[NH+](C)C	REAL300006936354	0	50	0.0	-67.36	353.32	5.93	-61.43
C[NH+](C)C1(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006936362	0	51	0.0	-68.84	359.95	6.47	-62.37
CCC(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[NH+](CC)CC	REAL300006936426	0	59	0.0	-63.30	401.88	7.79	-55.51
CC(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[N@H+](C)CC1=CC=CC=C1	REAL300006936428	0	60	0.0	-68.30	430.39	9.55	-58.75
CC(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[N@@H+](C)CC1=CC=CC=C1	REAL300006936428	1	60	0.0	-69.17	430.33	9.50	-59.67
C[NH+](C)CC1=CC=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=N1	REAL300006936447	0	56	0.0	-73.96	409.29	7.17	-66.79
CCC[NH+](CCC)CCCC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936452	0	65	0.0	-70.60	457.93	9.73	-60.87
CC[N@H+](C)C(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1=CC=CC=C1	REAL300006936453	0	60	0.0	-67.58	422.73	9.46	-58.12
CC[N@@H+](C)C(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1=CC=CC=C1	REAL300006936453	1	60	0.0	-64.72	428.52	9.61	-55.11
C[N@@H+]1CCOC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006936454	1	52	0.0	-76.26	372.77	5.96	-70.30
C[N@H+]1CCOC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006936454	1	52	0.0	-72.44	365.60	5.82	-66.62
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936465	1	55	0.0	-64.63	401.04	8.25	-56.38
C[NH+](C)CC1(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006936480	0	54	0.0	-66.25	386.05	7.23	-59.02
C[NH+](C)CCCCC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936486	0	56	0.0	-71.98	400.68	7.66	-64.32
CC(C)C(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[NH+](C)C	REAL300006936494	0	56	0.0	-66.95	384.93	7.68	-59.27
CC1=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=NN1C1=CC=[NH+]C=C1	REAL300006936501	1	55	0.0	-78.35	411.09	7.42	-70.93
CC1(C)OC2(CNC(=O)C3=NOC(C[NH+]4CCCC4)=C3)CCC1(C(=O)[O-])CC2	REAL300006936512	1	57	0.0	-76.64	418.72	7.63	-69.01
C[NH+](C)CCC1=CC=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300006936513	0	60	0.0	-77.11	436.03	9.86	-67.25
CNC1=[NH+]C(C)=CC=C1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936522	1	53	0.0	-62.13	384.69	6.59	-55.54
CCC[N@H+](C)CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936529	0	53	0.0	-69.28	374.65	6.94	-62.34
CCC[N@@H+](C)CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936529	1	53	0.0	-69.33	374.62	6.94	-62.39
C[N@H+](CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCC1	REAL300006936550	0	54	0.0	-67.07	381.52	7.52	-59.55
C[N@@H+](CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCC1	REAL300006936550	1	54	0.0	-67.41	381.63	7.51	-59.90
C[N@H+](CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)CC(C)(C)C	REAL300006936571	0	59	0.0	-68.82	404.24	7.98	-60.84
C[N@@H+](CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)CC(C)(C)C	REAL300006936571	1	59	0.0	-68.86	405.47	8.06	-60.80
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936573	0	60	0.0	-73.40	434.53	9.96	-63.44
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936573	1	60	0.0	-73.36	434.55	9.96	-63.40
CC[C@@H](C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[NH+](C)C	REAL300006936576	0	53	0.0	-67.29	365.96	6.53	-60.76
C[N@@H+]1CCCC(O)(CC(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006936578	0	58	0.0	-65.57	393.86	5.65	-59.92
C[N@H+]1CCCC(O)(CC(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006936578	1	58	0.0	-67.84	390.73	5.72	-62.12
CCCCCC[N@H+](C)CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936598	0	62	0.0	-70.38	439.14	9.28	-61.10
CCCCCC[N@@H+](C)CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936598	1	62	0.0	-70.39	439.12	9.28	-61.11
CC1(C)OC2(CNC(=O)C34CCC[NH+]3CCC4)CCC1(C(=O)[O-])CC2	REAL300006936609	0	55	0.0	-67.30	380.24	7.56	-59.74
CC1(C)OC2(CNC(=O)C3=CC4=C[NH+]=CN4C=C3)CCC1(C(=O)[O-])CC2	REAL300006936617	1	49	0.0	-73.75	365.83	9.03	-64.72
C[N@H+](CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCSC1	REAL300006936627	0	55	0.0	-74.32	394.76	7.78	-66.54
C[N@@H+](CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCSC1	REAL300006936627	1	55	0.0	-74.74	394.73	7.74	-67.00
CC(C)[NH+]1CCN(CCC(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006936643	0	65	0.0	-68.74	450.77	6.71	-62.03
CC(C)N1CC[NH+](CCC(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006936643	1	65	0.0	-71.32	446.98	6.50	-64.82
CC1(C)OC2(CNC(=O)C3CCCC4CCC[N@@H+]43)CCC1(C(=O)[O-])CC2	REAL300006936644	0	58	0.0	-60.38	397.84	8.30	-52.08
CC1(C)OC2(CNC(=O)C3CCCC4CCC[N@H+]43)CCC1(C(=O)[O-])CC2	REAL300006936644	1	58	0.0	-61.66	399.86	8.37	-53.29
C[NH+](C)CCN1C=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=N1	REAL300006936645	0	57	0.0	-77.65	419.70	7.02	-70.63
CCCC(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[NH+](C)C	REAL300006936672	0	56	0.0	-67.09	386.91	7.28	-59.81
C[NH+](C)CCN1C=CC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300006936686	0	57	0.0	-77.44	420.00	7.04	-70.40
C[NH+](C)CCN1N=CC=C1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936687	0	57	0.0	-67.67	414.90	6.96	-60.71
C[C@@H]1[C@H](C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC[N@@H+]1C	REAL300006936690	0	54	0.0	-70.09	373.26	6.80	-63.29
C[C@@H]1[C@H](C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC[N@H+]1C	REAL300006936690	1	54	0.0	-68.77	377.39	7.04	-61.73
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936692	1	58	0.0	-64.27	421.26	8.74	-55.53
CC[C@@H]1[C@@H](C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC[N@@H+]1C	REAL300006936695	0	57	0.0	-69.51	390.29	7.13	-62.38
CC[C@@H]1[C@@H](C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC[N@H+]1C	REAL300006936695	1	57	0.0	-68.97	395.39	7.41	-61.56
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936698	1	53	0.0	-66.89	382.10	7.28	-59.61
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936698	1	53	0.0	-66.71	387.86	7.82	-58.89
CC1C[N@H+](C)CC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)O1	REAL300006936704	1	55	0.0	-69.86	386.89	6.53	-63.33
CC1C[N@@H+](C)CC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)O1	REAL300006936704	1	55	0.0	-74.75	391.91	6.64	-68.11
CC1(C)OC2(CNC(=O)C[NH+]3CCCC3)CCC1(C(=O)[O-])CC2	REAL300006936710	0	51	0.0	-68.39	359.27	6.56	-61.83
CC1=[NH+]C=CN1CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936712	1	49	0.0	-65.86	364.82	7.13	-58.73
CC(C[NH+]1CCOCC1)C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936714	0	58	0.0	-71.46	406.87	6.26	-65.20
CC1CC[NH+](CC(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006936733	0	57	0.0	-69.39	398.24	8.01	-61.38
CC[N@@H+]1CCOC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006936744	1	55	0.0	-67.78	383.44	6.48	-61.30
CC[N@H+]1CCOC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006936744	1	55	0.0	-75.86	390.50	6.63	-69.23
CC1(C)OC2(CNC(=O)C3CC[N@@H+](C4CCCCC4)C3)CCC1(C(=O)[O-])CC2	REAL300006936776	0	64	0.0	-68.30	440.96	9.48	-58.82
CC1(C)OC2(CNC(=O)C3CC[N@H+](C4CCCCC4)C3)CCC1(C(=O)[O-])CC2	REAL300006936776	1	64	0.0	-68.98	440.84	9.47	-59.51
C[N@@H+]1CCCC1CCC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936781	0	57	0.0	-70.37	402.98	8.06	-62.31
C[N@H+]1CCCC1CCC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936781	1	57	0.0	-67.87	395.22	7.48	-60.39
CC1(C)OC2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC1(C(=O)[O-])CC2	REAL300006936792	0	58	0.0	-70.85	392.70	7.73	-63.12
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936794	1	55	0.0	-66.83	382.55	3.61	-63.22
C[N@H+]1CC(O)CC1(C)C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936794	1	55	0.0	-71.04	383.33	3.59	-67.45
CC1(C)OC2(CNC(=O)C3CCC4CCCC[N@@H+]43)CCC1(C(=O)[O-])CC2	REAL300006936795	0	58	0.0	-62.49	394.34	7.97	-54.52
CC1(C)OC2(CNC(=O)C3CCC4CCCC[N@H+]43)CCC1(C(=O)[O-])CC2	REAL300006936795	1	58	0.0	-61.86	401.14	8.40	-53.46
CC(C)(C[NH+]1CCOCC1)C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936802	0	61	0.0	-67.34	416.23	6.61	-60.73
CC[NH+](CC)CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936817	0	53	0.0	-67.78	367.01	6.62	-61.16
CC(C)[NH+]1CCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006936819	0	60	0.0	-69.64	414.26	8.38	-61.26
CC1(C)OC2(CNC(=O)C34CC[NH+](CC3)C4)CCC1(C(=O)[O-])CC2	REAL300006936896	0	52	0.0	-71.38	366.85	6.07	-65.31
CCC(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[NH+](C)C	REAL300006936899	0	53	0.0	-66.40	365.41	6.52	-59.88
CC1(C)OC2(CNC(=O)C34CC[N@H+](C3)CCC4)CCC1(C(=O)[O-])CC2	REAL300006936907	0	55	0.0	-68.43	375.48	6.71	-61.72
CC1(C)OC2(CNC(=O)C34CC[N@@H+](C3)CCC4)CCC1(C(=O)[O-])CC2	REAL300006936907	1	55	0.0	-69.80	377.35	6.74	-63.06
CC1CCC(C)[NH+]1CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006936950	0	57	0.0	-65.69	392.58	7.56	-58.13
C[NH+](C)CC1=CC=CC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300006936951	0	57	0.0	-73.47	413.46	9.02	-64.45
C[NH+](C)C1(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CCC1	REAL300006936983	0	54	0.0	-69.69	367.84	6.89	-62.80
C#CC[NH+]1CCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006937005	0	56	0.0	-73.41	404.62	8.34	-65.07
CCC[N@@H+]1CCCCC1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937007	0	60	0.0	-65.90	407.18	8.34	-57.56
CCC[N@H+]1CCCCC1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937007	1	60	0.0	-64.43	416.40	8.52	-55.91
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937008	0	57	0.0	-62.69	406.19	9.24	-53.45
CC[NH+]1CCN(CCC(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006937010	0	62	0.0	-70.31	433.52	6.16	-64.15
CCN1CC[NH+](CCC(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006937010	1	62	0.0	-71.14	434.00	6.18	-64.96
CC(C)[N@H+](C)CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937011	0	53	0.0	-66.91	369.73	6.72	-60.19
CC(C)[N@@H+](C)CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937011	1	53	0.0	-67.00	369.84	6.74	-60.26
CC(C)C(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[NH+]1CCCCC1	REAL300006937012	0	63	0.0	-64.20	424.29	9.59	-54.61
C[NH+](C)C(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1=CC=CC=C1	REAL300006937013	1	57	0.0	-67.56	409.98	9.03	-58.53
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937020	1	58	0.0	-64.13	420.72	8.68	-55.45
CC1(C)OC2(CNC(=O)C3CCC[N@@H+]3C3CCCC3)CCC1(C(=O)[O-])CC2	REAL300006937026	0	61	0.0	-64.24	418.46	8.96	-55.28
CC1(C)OC2(CNC(=O)C3CCC[N@H+]3C3CCCC3)CCC1(C(=O)[O-])CC2	REAL300006937026	1	61	0.0	-66.05	421.19	8.88	-57.17
CC[N@H+](CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CC1	REAL300006937028	0	54	0.0	-65.61	383.91	7.56	-58.05
CC[N@@H+](CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CC1	REAL300006937028	1	54	0.0	-66.42	381.60	7.47	-58.95
CC(C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[NH+]1CCCCCC1	REAL300006937048	0	60	0.0	-65.47	404.48	7.97	-57.50
C[N@@H+]1CCC[C@H]1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937051	0	51	0.0	-64.00	358.95	6.41	-57.59
C[N@H+]1CCC[C@H]1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937051	1	51	0.0	-67.18	355.75	6.12	-61.06
CC(C)(C)[NH2+]CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937114	0	53	0.0	-68.41	374.34	5.25	-63.16
CC[NH+](CC)CC1=CC=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)O1	REAL300006937115	0	60	0.0	-70.47	435.37	8.67	-61.80
CC1(C)OC2(CNC(=O)CCCC[NH+]3CCCC3)CCC1(C(=O)[O-])CC2	REAL300006937116	0	60	0.0	-70.42	426.73	8.84	-61.58
C[N@H+](CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)CC1=CC=CC=C1	REAL300006937118	1	57	0.0	-73.02	412.05	9.11	-63.91
C[N@@H+](CC(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)CC1=CC=CC=C1	REAL300006937118	1	57	0.0	-73.09	412.13	9.13	-63.96
CC(C)[C@@H](C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)[NH+](C)C	REAL300006937126	0	56	0.0	-67.82	384.46	7.72	-60.10
CC1(C)OC2(CNC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CCC1(C(=O)[O-])CC2	REAL300006937144	1	52	0.0	-77.56	394.61	6.98	-70.58
C[NH+](C)CC1=CC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=NO1	REAL300006937162	1	53	0.0	-78.15	394.43	6.56	-71.59
CC(C)[N@@H+]1CCCC1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937175	0	57	0.0	-65.89	387.90	7.82	-58.07
CC(C)[N@H+]1CCCC1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937175	1	57	0.0	-64.49	394.18	7.63	-56.86
C[NH+]1CCC(OCC(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006937194	0	58	0.0	-75.19	415.34	7.61	-67.58
CCC[N@@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006937336	0	60	0.0	-64.15	412.92	8.77	-55.38
CCC[N@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006937336	1	60	0.0	-68.76	418.93	8.55	-60.21
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937359	0	60	0.0	-65.24	420.11	8.66	-56.58
CC(C)C[N@H+]1CCCC1C(=O)NCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300006937359	1	60	0.0	-64.01	417.73	8.61	-55.40
CC1(C)OC2(CNC(=O)C[NH+]3CCC(CO)CC3)CCC1(C(=O)[O-])CC2	REAL300006937360	1	58	0.0	-71.92	408.72	4.70	-67.22
CC(C)[N@@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006937540	0	60	0.0	-63.22	408.01	8.51	-54.71
CC(C)[N@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006937540	1	60	0.0	-62.65	408.07	8.53	-54.12
C[N@@H+]1CC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C(F)(F)F)C1	REAL300006937541	0	54	0.0	-76.43	397.53	7.24	-69.19
C[N@H+]1CC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C(F)(F)F)C1	REAL300006937541	1	54	0.0	-76.83	399.71	7.29	-69.54
CC1=C(C)[NH+]=C(CCC(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)N1	REAL300006937564	1	55	0.0	-64.83	405.65	6.82	-58.01
C[NH+](C)CCC1=CC=CC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300006937947	0	60	0.0	-74.55	435.95	9.86	-64.69
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006938068	0	54	0.0	-69.82	384.85	7.26	-62.56
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300006938072	0	60	0.0	-68.13	407.60	8.24	-59.89
CC1=[NH+]C=C2C=CC(C(=O)NCC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=CN21	REAL300006938075	0	52	0.0	-66.70	386.90	8.81	-57.89
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006938127	0	63	0.0	-67.87	436.62	9.26	-58.61
CC(C)C[N@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006938127	1	63	0.0	-68.03	436.37	9.23	-58.80
CC[N@@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006938128	0	57	0.0	-64.04	391.29	8.01	-56.03
CC[N@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006938128	1	57	0.0	-67.73	397.62	7.83	-59.90
C[N@@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006938133	0	54	0.0	-70.00	379.91	7.13	-62.87
C[N@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006938133	1	54	0.0	-63.01	371.89	7.33	-55.68
C[NH+](C)CC1=CC=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)O1	REAL300006938135	1	54	0.0	-73.60	399.84	7.33	-66.27
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006938141	0	63	0.0	-70.46	423.27	8.60	-61.86
C[N@H+]1CCCC(C(C)(C)C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300006938141	1	63	0.0	-72.72	417.99	8.24	-64.48
CC1(C)OC2(CNC(=O)C34CC(C3)C[N@@H+]4C3CC3)CCC1(C(=O)[O-])CC2	REAL300006938144	0	56	0.0	-65.25	386.70	8.00	-57.25
CC1(C)OC2(CNC(=O)C34CC(C3)C[N@H+]4C3CC3)CCC1(C(=O)[O-])CC2	REAL300006938144	1	56	0.0	-66.09	393.74	8.78	-57.31
O=C([O-])C1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC2CCC1CC2	REAL300006939277	0	60	0.0	-64.25	425.82	12.03	-52.22
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC2CCC1CC2	REAL300006939930	0	57	0.0	-45.24	402.54	10.91	-34.33
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC2CCC1CC2	REAL300006939930	1	57	0.0	-51.46	409.53	11.55	-39.91
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CC3)CC2)CC2CCC1CC2	REAL300006940837	0	54	0.0	-56.56	378.54	9.86	-46.70
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2C2CC2)CC2CCC1CC2	REAL300006940864	0	51	0.0	-46.28	357.08	8.79	-37.49
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2C2CC2)CC2CCC1CC2	REAL300006940864	1	51	0.0	-48.40	357.23	9.10	-39.30
CC1=[NH+]C=C2CCC(C(=O)NCC3(C(=O)[O-])CC4CCC3CC4)CN21	REAL300006940870	1	52	0.0	-53.53	372.33	9.54	-43.99
O=C([O-])C1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC2CCC1CC2	REAL300006940871	0	60	0.0	-49.20	425.48	11.94	-37.26
C[N@@H+]1CCCCC1C(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006940953	0	50	0.0	-57.87	341.96	8.14	-49.73
C[N@H+]1CCCCC1C(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006940953	1	50	0.0	-56.57	339.48	8.11	-48.46
CC(C(=O)NCC1(C(=O)[O-])CC2CCC1CC2)N1CC[NH+](C)CC1	REAL300006940954	1	55	0.0	-61.19	375.64	6.60	-54.59
C[N@@H+]1CCCC[C@H]1C(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006940998	0	50	0.0	-52.01	346.69	8.37	-43.64
C[N@H+]1CCCC[C@H]1C(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006940998	1	50	0.0	-56.58	339.48	8.11	-48.47
CC1(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)CC[NH+](CC2=CC=CC=C2)CC1	REAL300006941056	0	63	0.0	-62.37	438.43	12.44	-49.93
C[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)CC1	REAL300006941089	0	50	0.0	-63.65	349.28	8.45	-55.20
O=C([O-])C1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CC2CCC1CC2	REAL300006941115	0	45	0.0	-62.17	334.88	10.29	-51.88
C[NH+](C)CC1(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)CCCCC1	REAL300006941148	0	59	0.0	-46.71	389.86	10.40	-36.31
C[N@H+](CCC(=O)NCC1(C(=O)[O-])CC2CCC1CC2)C1CCCCC1	REAL300006941153	0	59	0.0	-56.27	403.13	10.38	-45.89
C[N@@H+](CCC(=O)NCC1(C(=O)[O-])CC2CCC1CC2)C1CCCCC1	REAL300006941153	1	59	0.0	-56.95	403.11	10.38	-46.57
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC2CCC1CC2	REAL300006941170	1	57	0.0	-53.60	417.33	11.67	-41.93
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC2CCC1CC2	REAL300006941170	1	57	0.0	-52.17	414.99	11.51	-40.66
C[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)CC1	REAL300006941224	0	50	0.0	-63.65	349.28	8.45	-55.20
O=C([O-])C1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC2CCC1CC2	REAL300006941229	0	53	0.0	-69.16	393.94	9.41	-59.75
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)CC2CCC1CC2	REAL300006941252	0	60	0.0	-47.54	403.59	10.70	-36.84
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2C2CCCC2)CC2CCC1CC2	REAL300006941252	1	60	0.0	-46.73	402.26	10.59	-36.14
O=C([O-])C1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CC2CCC1CC2	REAL300006941253	0	61	0.0	-64.21	416.41	9.08	-55.13
CC1=[NH+]C=CN1CCCC(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006941286	1	51	0.0	-58.51	375.67	9.68	-48.83
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(C(=O)[O-])CC4CCC3CC4)=CC=C1N2	REAL300006942201	1	58	0.0	-76.13	418.80	10.79	-65.34
CC[NH+](CC)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)O1	REAL300006942252	0	56	0.0	-63.32	404.57	9.97	-53.35
O=C(CCCC[NH+]1CCCC1)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006942253	0	56	0.0	-62.37	396.03	10.10	-52.27
CC1=CC=C(N2CCC(C(=O)NCC3(C(=O)[O-])CC4CCC3CC4)CC2)[NH+]=C1	REAL300006942255	1	59	0.0	-59.50	418.73	9.87	-49.63
C[N@H+](CC(=O)NCC1(C(=O)[O-])CC2CCC1CC2)CC1=CC=CC=C1	REAL300006942256	1	53	0.0	-53.77	381.36	10.38	-43.39
C[N@@H+](CC(=O)NCC1(C(=O)[O-])CC2CCC1CC2)CC1=CC=CC=C1	REAL300006942256	1	53	0.0	-53.39	381.35	10.37	-43.02
CC(C)[C@@H](C(=O)NCC1(C(=O)[O-])CC2CCC1CC2)[NH+](C)C	REAL300006942267	0	52	0.0	-51.20	350.21	8.97	-42.23
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006942319	0	60	0.0	-60.65	426.20	11.78	-48.87
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CC(C)[N@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006942335	1	53	0.0	-49.50	364.66	9.01	-40.49
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CCC[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006942560	1	56	0.0	-56.59	388.44	9.81	-46.78
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006942592	0	56	0.0	-49.63	389.63	9.97	-39.66
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CC(C)[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006942831	0	56	0.0	-50.06	378.28	9.88	-40.18
CC(C)[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006942831	1	56	0.0	-55.16	383.60	9.58	-45.58
C[N@@H+]1CC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C(C(F)(F)F)C1	REAL300006942832	0	50	0.0	-67.18	363.80	8.45	-58.73
C[N@H+]1CC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C(C(F)(F)F)C1	REAL300006942832	1	50	0.0	-50.84	362.09	8.30	-42.54
CC1=C(C)[NH+]=C(CCC(=O)NCC2(C(=O)[O-])CC3CCC2CC3)N1	REAL300006942858	1	51	0.0	-52.70	374.93	8.07	-44.63
C[NH+](C)CCC1=CC=CC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300006943355	0	56	0.0	-72.78	405.33	11.11	-61.67
C[NH+](C)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C=C1	REAL300006943362	0	57	0.0	-70.82	412.64	10.07	-60.75
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006943459	0	63	0.0	-63.40	444.41	12.72	-50.68
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006943505	0	50	0.0	-60.82	359.05	8.43	-52.39
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)CC1	REAL300006943509	0	56	0.0	-51.90	377.95	9.59	-42.31
CC1=[NH+]C=C2C=CC(C(=O)NCC3(C(=O)[O-])CC4CCC3CC4)=CN21	REAL300006943513	0	48	0.0	-57.45	356.28	10.06	-47.39
CC(C)C[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006943579	0	59	0.0	-53.85	401.79	10.60	-43.25
CC(C)C[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006943579	1	59	0.0	-57.42	406.80	10.61	-46.81
CC[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006943580	0	53	0.0	-56.74	367.89	9.17	-47.57
CC[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006943580	1	53	0.0	-56.30	366.94	9.07	-47.23
C[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006943584	0	50	0.0	-58.89	350.25	8.52	-50.37
C[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006943584	1	50	0.0	-54.59	343.96	8.73	-45.86
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)O1	REAL300006943586	1	50	0.0	-67.31	369.27	8.60	-58.71
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006943592	0	59	0.0	-66.98	388.00	9.57	-57.41
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300006943592	1	59	0.0	-65.97	395.65	10.02	-55.95
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O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=C(F)C(F)=C3)C2)C1	REAL300006943676	1	47	0.0	-51.87	370.21	10.33	-41.54
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC(CC3=CC=CC=C3)C2)C1	REAL300006943802	1	50	0.0	-49.09	386.02	10.23	-38.86
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC(F)(F)C1	REAL300006943903	0	46	0.0	-47.97	331.22	9.03	-38.94
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC(F)(F)C1	REAL300006943903	1	46	0.0	-50.67	337.37	9.02	-41.65
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC(CC(F)(F)F)C2)C1	REAL300006944012	0	43	0.0	-47.93	336.05	7.11	-40.82
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O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3CCOC3)C2)C1	REAL300006944122	0	49	0.0	-46.32	354.01	5.47	-40.85
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COC1=CC(F)=CC(C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300006944240	0	54	0.0	-49.90	406.87	10.29	-39.61
COC1=CC(F)=CC(C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300006944240	1	54	0.0	-46.52	400.15	9.82	-36.70
CC12COC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)(C1)CCC2	REAL300006944354	0	51	0.0	-46.79	361.94	6.93	-39.86
CC12COC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)(C1)CCC2	REAL300006944354	1	51	0.0	-46.73	368.25	6.95	-39.78
CC12CCC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)(C1)OC2	REAL300006944438	0	48	0.0	-45.01	352.72	6.26	-38.75
CC12CCC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)(C1)OC2	REAL300006944438	1	48	0.0	-47.32	358.87	6.26	-41.06
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O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC[C@@H](O)[C@@H](O)C2)C1	REAL300006944670	0	45	0.0	-50.35	338.39	1.15	-49.20
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O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3(CC3(F)F)C2)C1	REAL300006944742	0	44	0.0	-48.84	339.60	8.09	-40.75
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3(CC3(F)F)C2)C1	REAL300006944742	1	44	0.0	-48.81	338.70	7.64	-41.17
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300006945968	0	63	0.0	-71.61	440.04	13.26	-58.35
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300006945968	1	63	0.0	-73.54	440.91	13.27	-60.27
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1CC[NH+](C3CC3)CC1)CC2	REAL300006946642	0	60	0.0	-73.88	407.15	11.49	-62.39
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1CCC[N@@H+]1C1CC1)CC2	REAL300006946666	0	57	0.0	-69.46	392.15	11.07	-58.39
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1CCC[N@H+]1C1CC1)CC2	REAL300006946666	1	57	0.0	-69.75	388.07	10.61	-59.14
CC1=[NH+]C=C2CCC(C(=O)N3CCC4(CCC(CC(=O)[O-])CC4)CC3)CN12	REAL300006946672	1	58	0.0	-69.23	406.77	11.35	-57.88
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCC(CC(=O)[O-])CC2)CC1	REAL300006946742	0	56	0.0	-72.35	371.67	10.00	-62.35
C[N@H+]1CCCCC1C(=O)N1CCC2(CCC(CC(=O)[O-])CC2)CC1	REAL300006946742	1	56	0.0	-65.13	379.02	10.32	-54.81
CC(C(=O)N1CCC2(CCC(CC(=O)[O-])CC2)CC1)N1CC[NH+](C)CC1	REAL300006946743	1	61	0.0	-74.44	414.46	8.64	-65.80
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CCC(CC(=O)[O-])CC2)CC1	REAL300006946778	0	56	0.0	-67.86	378.96	10.30	-57.56
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CCC(CC(=O)[O-])CC2)CC1	REAL300006946778	1	56	0.0	-72.07	368.69	9.90	-62.17
C[NH+]1CCC(C(=O)N2CCC3(CCC(CC(=O)[O-])CC3)CC2)CC1	REAL300006946843	0	56	0.0	-77.20	383.21	10.36	-66.84
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O=C([O-])CC1CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006958049	1	54	0.0	-81.57	404.65	10.87	-70.70
O=C([O-])CC1CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006958049	1	54	0.0	-83.45	397.95	10.82	-72.63
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300006958063	0	53	0.0	-67.19	386.73	11.39	-55.80
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300006958063	1	53	0.0	-65.61	376.37	10.97	-54.64
CC1=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300006958065	1	44	0.0	-84.28	346.11	7.86	-76.42
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300006958073	0	53	0.0	-90.55	389.99	11.33	-79.22
O=C([O-])CC1CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300006958085	1	46	0.0	-82.49	352.00	8.77	-73.72
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300006958086	0	49	0.0	-93.07	370.92	10.31	-82.76
O=C([O-])CC1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006958094	1	51	0.0	-78.80	372.95	9.93	-68.87
O=C([O-])CC1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300006958094	1	51	0.0	-78.81	373.05	9.93	-68.88
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958100	0	60	0.0	-66.73	436.28	12.25	-54.48
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958100	1	60	0.0	-63.77	429.40	11.62	-52.15
CC(C(=O)N1CCCC(CC(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006958108	0	59	0.0	-71.17	420.27	12.47	-58.70
CC(C(=O)N1CCCC(CC(=O)[O-])C1)[NH+]1CCSCC1	REAL300006958138	1	44	0.0	-68.55	326.81	8.25	-60.30
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958145	0	49	0.0	-72.93	369.44	10.73	-62.20
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958145	1	49	0.0	-72.89	369.47	10.74	-62.15
COCCOCC[N@H+](C)CCC(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958146	0	53	0.0	-73.31	398.52	6.96	-66.35
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958146	1	53	0.0	-73.73	398.56	6.97	-66.76
O=C([O-])CC1CCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006958156	0	58	0.0	-78.14	424.67	10.49	-67.65
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300006958157	1	52	0.0	-68.54	371.35	9.16	-59.38
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300006958157	1	52	0.0	-70.81	382.48	9.67	-61.14
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300006958158	1	52	0.0	-67.89	382.32	9.59	-58.30
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300006958158	1	52	0.0	-72.32	381.28	9.60	-62.72
C[N@H+](CC(=O)N1CCCC(CC(=O)[O-])C1)C1CCSC1	REAL300006958182	0	44	0.0	-73.56	329.68	8.54	-65.02
C[N@@H+](CC(=O)N1CCCC(CC(=O)[O-])C1)C1CCSC1	REAL300006958182	1	44	0.0	-74.19	329.70	8.53	-65.66
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300006958193	0	54	0.0	-77.65	385.82	7.54	-70.11
CC(C)N1CC[NH+](CCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300006958193	1	54	0.0	-73.27	382.21	7.33	-65.94
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300006958194	0	57	0.0	-71.49	407.24	8.32	-63.17
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300006958194	1	57	0.0	-73.92	404.04	8.16	-65.76
C[NH+](C)CCN1C=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=N1	REAL300006958196	0	46	0.0	-85.64	351.85	7.47	-78.17
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(CC(=O)[O-])C3)CC2)=C1	REAL300006958201	0	58	0.0	-77.37	424.06	10.32	-67.05
O=C([O-])CC1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300006958203	0	55	0.0	-77.51	403.17	9.70	-67.81
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300006958207	0	52	0.0	-68.27	385.02	9.59	-58.68
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300006958207	1	52	0.0	-75.94	385.93	9.65	-66.29
CC(C(=O)N1CCCC(CC(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006958212	0	50	0.0	-68.28	364.80	10.60	-57.68
CC(C(=O)N1CCCC(CC(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006958212	1	50	0.0	-69.53	364.51	10.61	-58.92
CCC(CC)C(C(=O)N1CCCC(CC(=O)[O-])C1)[NH+]1CCOCC1	REAL300006958227	1	56	0.0	-66.19	371.69	8.32	-57.87
O=C([O-])CC1CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006958240	0	53	0.0	-77.49	395.38	11.59	-65.90
O=C([O-])CC1CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006958240	1	53	0.0	-77.46	395.82	11.58	-65.88
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=N1	REAL300006958252	0	46	0.0	-95.97	352.29	8.15	-87.82
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958253	0	46	0.0	-62.07	348.30	7.49	-54.58
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958258	1	47	0.0	-65.84	356.33	9.56	-56.28
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=NN1	REAL300006958261	1	47	0.0	-85.17	353.20	7.63	-77.54
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=NN1	REAL300006958261	1	47	0.0	-81.53	346.22	7.12	-74.41
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300006958272	0	53	0.0	-77.65	397.83	11.47	-66.18
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300006958272	1	53	0.0	-76.18	397.41	11.48	-64.70
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300006958273	1	49	0.0	-62.04	363.42	8.79	-53.25
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300006958273	1	49	0.0	-64.31	362.60	8.55	-55.76
O=C([O-])CC1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300006958277	0	54	0.0	-77.53	400.39	9.07	-68.46
O=C([O-])CC1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300006958323	0	53	0.0	-71.33	372.29	10.10	-61.23
O=C([O-])CC1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300006958323	1	53	0.0	-71.31	372.44	10.08	-61.23
O=C([O-])CC1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300006958343	0	58	0.0	-76.64	415.44	9.93	-66.71
O=C([O-])CC1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300006958343	1	58	0.0	-77.88	419.93	10.27	-67.61
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958350	0	50	0.0	-72.67	344.32	6.81	-65.86
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(CC(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006958353	0	59	0.0	-74.76	430.07	10.25	-64.51
CC(C)[N@H+]1CCC(C(=O)N2CCCC(CC(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006958353	1	59	0.0	-72.22	415.53	10.02	-62.20
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(CC(=O)[O-])C2)C=N1	REAL300006958354	0	53	0.0	-84.86	396.74	9.06	-75.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(CC(=O)[O-])C2)C=N1	REAL300006958354	1	53	0.0	-74.87	381.75	8.77	-66.10
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(CC(=O)[O-])C3)=C2)CC1	REAL300006958360	0	55	0.0	-83.89	407.13	8.91	-74.98
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CC1	REAL300006958361	0	55	0.0	-86.98	407.64	8.94	-78.04
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CC1	REAL300006958361	1	55	0.0	-90.12	406.56	8.78	-81.34
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300006958362	0	56	0.0	-89.58	411.73	10.55	-79.03
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300006958463	0	57	0.0	-91.75	421.66	8.64	-83.11
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=C1	REAL300006958467	0	46	0.0	-80.04	348.52	9.48	-70.56
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006958468	0	53	0.0	-77.83	381.98	11.28	-66.55
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006958468	1	53	0.0	-77.98	381.92	11.28	-66.70
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958524	0	46	0.0	-66.20	345.58	9.52	-56.68
CC[NH+]1CCN(CCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300006958526	0	51	0.0	-79.33	368.58	6.99	-72.34
CCN1CC[NH+](CCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300006958526	1	51	0.0	-73.27	368.97	7.01	-66.26
CC(C)C(C(=O)N1CCCC(CC(=O)[O-])C1)[NH+]1CCCCC1	REAL300006958529	0	52	0.0	-63.89	354.04	9.80	-54.09
C[NH+](C)C(C(=O)N1CCCC(CC(=O)[O-])C1)C1=CC=CC=C1	REAL300006958530	1	46	0.0	-66.99	342.17	9.61	-57.38
O=C([O-])CC1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006958534	0	51	0.0	-67.01	378.32	7.71	-59.30
O=C([O-])CC1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006958534	1	51	0.0	-62.68	377.22	7.78	-54.90
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958539	1	47	0.0	-68.58	355.94	9.49	-59.09
C[NH+](C)CC1=C(C(=O)N2CCCC(CC(=O)[O-])C2)OC2=CC=CC=C21	REAL300006958540	0	49	0.0	-58.88	366.41	10.16	-48.72
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300006958544	0	50	0.0	-65.94	349.64	9.63	-56.31
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300006958544	1	50	0.0	-68.78	347.85	10.10	-58.68
O=C([O-])CC1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300006958567	1	51	0.0	-61.98	379.46	11.07	-50.91
CC(C)C(C(=O)N1CCCC(CC(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006958568	1	56	0.0	-61.55	377.90	8.14	-53.41
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(CC(=O)[O-])C3)=CC=C1N2	REAL300006958596	1	51	0.0	-95.01	383.61	9.89	-85.12
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(CC(=O)[O-])C3)=CC=C1N2	REAL300006958596	1	51	0.0	-85.80	382.67	9.83	-75.97
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)O1	REAL300006958648	0	49	0.0	-39.36	362.63	9.78	-29.58
CC1=CC=C(N2CCC(C(=O)N3CCCC(CC(=O)[O-])C3)CC2)[NH+]=C1	REAL300006958649	1	52	0.0	-65.10	383.74	9.29	-55.81
C[N@H+](CC(=O)N1CCCC(CC(=O)[O-])C1)CC1=CC=CC=C1	REAL300006958650	1	46	0.0	-73.38	346.99	9.89	-63.49
C[N@@H+](CC(=O)N1CCCC(CC(=O)[O-])C1)CC1=CC=CC=C1	REAL300006958650	1	46	0.0	-73.58	346.95	9.88	-63.70
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CC1	REAL300006958653	0	58	0.0	-57.06	415.34	9.80	-47.26
O=C([O-])CC1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300006958664	1	41	0.0	-83.07	326.86	7.42	-75.65
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958698	0	53	0.0	-72.32	394.13	11.32	-61.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006958698	1	53	0.0	-71.50	389.55	11.36	-60.14
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300006958716	0	54	0.0	-87.85	411.90	10.80	-77.05
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006958734	0	50	0.0	-42.71	370.20	10.16	-32.55
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006958765	0	52	0.0	-70.89	382.41	9.43	-61.46
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006958765	1	52	0.0	-64.79	377.77	9.21	-55.58
O=C([O-])CC1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300006959004	0	54	0.0	-79.15	394.57	11.48	-67.67
O=C([O-])CC1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300006959004	1	54	0.0	-77.18	397.08	11.52	-65.66
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300006959036	1	53	0.0	-67.21	394.11	11.52	-55.69
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300006959036	1	53	0.0	-66.91	382.73	11.02	-55.89
C[N@@H+]1CC(C(=O)N2CCCC(CC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006959119	0	43	0.0	-75.41	330.50	7.85	-67.56
C[N@H+]1CC(C(=O)N2CCCC(CC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006959119	1	43	0.0	-83.62	330.59	7.83	-75.79
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=C1	REAL300006959551	0	49	0.0	-81.17	371.55	10.33	-70.84
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300006959557	0	50	0.0	-90.20	378.27	9.26	-80.94
O=C([O-])CC1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006959636	0	56	0.0	-72.50	410.15	12.29	-60.21
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CCO1	REAL300006959638	1	54	0.0	-90.67	396.49	9.68	-80.99
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CCO1	REAL300006959638	1	54	0.0	-91.98	394.67	9.62	-82.36
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(CC(=O)[O-])C2)C1	REAL300006959724	0	52	0.0	-63.41	368.32	9.79	-53.62
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(CC(=O)[O-])C2)C1	REAL300006959724	1	52	0.0	-63.41	368.32	9.79	-53.62
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CC(=O)[O-])C2)C1	REAL300006959732	0	52	0.0	-83.47	353.73	8.79	-74.68
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CC(=O)[O-])C2)C1	REAL300006959732	1	52	0.0	-83.47	353.73	8.79	-74.68
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CC[NH+](C4CC4)CC3)S2)S1	REAL300006961507	0	44	0.0	-74.48	372.53	9.17	-65.31
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CCC[N@@H+]3C3CC3)S2)S1	REAL300006961531	1	41	0.0	-69.68	360.60	8.81	-60.87
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CCC[N@H+]3C3CC3)S2)S1	REAL300006961531	1	41	0.0	-72.06	353.58	8.15	-63.91
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC4=C(C=C(C(=O)[O-])S4)S3)CN21	REAL300006961537	1	42	0.0	-68.62	370.74	9.04	-59.58
C[N@@H+]1CCCCC1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961604	1	40	0.0	-71.47	345.08	7.89	-63.58
C[N@H+]1CCCCC1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961604	1	40	0.0	-72.71	335.77	7.73	-64.98
CC(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)N1CC[NH+](C)CC1	REAL300006961605	1	45	0.0	-74.82	376.37	6.14	-68.68
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961640	1	40	0.0	-71.48	345.07	7.90	-63.58
C[N@H+]1CCCC[C@H]1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961640	1	40	0.0	-72.70	335.76	7.72	-64.98
C[NH+]1CCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300006961703	0	40	0.0	-77.06	347.69	7.97	-69.09
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CN4C=[NH+]C=C4C=C3)S2)S1	REAL300006961733	0	35	0.0	-75.05	333.28	9.80	-65.25
C[NH+](C)CC1(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CCCCC1	REAL300006961762	0	49	0.0	-76.19	391.61	9.68	-66.51
C[N@H+](CCC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCCCC1	REAL300006961767	0	49	0.0	-76.14	401.53	9.90	-66.24
C[N@@H+](CCC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCCCC1	REAL300006961767	1	49	0.0	-76.11	401.53	9.91	-66.20
C[N@@H+]1CCCC1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961781	1	37	0.0	-73.77	323.12	6.85	-66.92
C[N@H+]1CCCC1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961781	1	37	0.0	-73.59	323.14	6.85	-66.74
C[NH+]1CCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300006961831	0	40	0.0	-77.06	347.69	7.97	-69.09
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CCCC[N@@H+]3C3CCCC3)S2)S1	REAL300006961844	0	50	0.0	-69.10	400.09	10.08	-59.02
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CCCC[N@H+]3C3CCCC3)S2)S1	REAL300006961844	1	50	0.0	-70.09	395.78	10.24	-59.85
CC1=[NH+]C=CN1CCCC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961875	1	41	0.0	-71.81	374.08	9.21	-62.60
O=C([O-])C1=CC2=C(C=C(CNC(=O)CCCC[NH+]3CCOCC3)S2)S1	REAL300006961876	1	47	0.0	-77.96	401.38	7.90	-70.06
C[C@@H](C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[NH+](C)C	REAL300006961882	0	36	0.0	-73.21	321.22	6.70	-66.51
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961883	1	37	0.0	-73.75	323.11	6.85	-66.90
C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961883	1	37	0.0	-71.78	328.13	7.37	-64.41
C[C@H](C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[NH+](C)C	REAL300006961887	0	36	0.0	-73.36	321.25	6.72	-66.64
C[NH+](C)C1(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300006961895	0	37	0.0	-74.82	329.87	6.96	-67.86
CCC(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[NH+](CC)CC	REAL300006961959	0	45	0.0	-69.05	369.38	8.67	-60.38
CC(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[N@H+](C)CC1=CC=CC=C1	REAL300006961961	0	46	0.0	-74.81	398.26	10.30	-64.51
CC(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[N@@H+](C)CC1=CC=CC=C1	REAL300006961961	1	46	0.0	-74.44	398.00	10.31	-64.13
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=N1	REAL300006961980	0	42	0.0	-78.38	377.04	8.32	-70.06
CCC[NH+](CCC)CCCC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961985	0	51	0.0	-75.14	425.67	10.52	-64.62
CC[N@H+](C)C(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1=CC=CC=C1	REAL300006961986	0	46	0.0	-71.18	396.54	10.43	-60.75
CC[N@@H+](C)C(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1=CC=CC=C1	REAL300006961986	1	46	0.0	-71.09	395.56	10.45	-60.64
C[N@@H+]1CCOC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006961987	1	38	0.0	-81.67	340.50	6.76	-74.91
C[N@H+]1CCOC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006961987	1	38	0.0	-77.27	333.38	6.59	-70.68
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006961998	1	41	0.0	-70.19	368.76	9.04	-61.15
C[NH+](C)CC1(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300006962013	0	40	0.0	-75.32	353.75	8.01	-67.31
C[NH+](C)CCCCC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962019	0	42	0.0	-76.00	368.48	8.46	-67.54
CC(C)C(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[NH+](C)C	REAL300006962027	0	42	0.0	-72.69	346.72	7.75	-64.94
CC1=C(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=NN1C1=CC=[NH+]C=C1	REAL300006962034	1	41	0.0	-82.13	378.87	8.19	-73.94
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=NOC(C[NH+]4CCCC4)=C3)S2)S1	REAL300006962045	1	43	0.0	-80.84	387.60	8.48	-72.36
C[NH+](C)CCC1=CC=C(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300006962046	0	46	0.0	-80.45	403.75	10.64	-69.81
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962055	1	39	0.0	-67.20	352.42	7.36	-59.84
CCC[N@H+](C)CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962062	0	39	0.0	-75.13	342.34	7.72	-67.41
CCC[N@@H+](C)CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962062	1	39	0.0	-75.14	342.34	7.71	-67.43
C[N@H+](CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCC1	REAL300006962083	0	40	0.0	-73.02	349.21	8.28	-64.74
C[N@@H+](CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCC1	REAL300006962083	1	40	0.0	-73.23	349.35	8.31	-64.92
C[N@H+](CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)CC(C)(C)C	REAL300006962104	0	45	0.0	-74.56	372.74	8.79	-65.77
C[N@@H+](CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)CC(C)(C)C	REAL300006962104	1	45	0.0	-74.47	373.25	8.89	-65.58
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962106	0	46	0.0	-79.37	402.25	10.75	-68.62
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962106	1	46	0.0	-79.37	402.25	10.75	-68.62
CC[C@@H](C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[NH+](C)C	REAL300006962109	0	39	0.0	-72.35	333.54	7.33	-65.02
C[N@@H+]1CCCC(O)(CC(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006962111	0	44	0.0	-73.52	370.56	6.76	-66.76
C[N@H+]1CCCC(O)(CC(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006962111	1	44	0.0	-71.32	373.42	6.66	-64.66
CCCCCC[N@H+](C)CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962131	0	48	0.0	-76.12	406.84	10.06	-66.06
CCCCCC[N@@H+](C)CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962131	1	48	0.0	-76.16	406.84	10.07	-66.09
O=C([O-])C1=CC2=C(C=C(CNC(=O)C34CCC[NH+]3CCC4)S2)S1	REAL300006962142	0	41	0.0	-72.05	347.70	8.28	-63.77
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CC4=C[NH+]=CN4C=C3)S2)S1	REAL300006962150	1	35	0.0	-77.63	333.55	9.81	-67.82
C[N@H+](CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCSC1	REAL300006962160	0	41	0.0	-80.39	362.60	8.54	-71.85
C[N@@H+](CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCSC1	REAL300006962160	1	41	0.0	-80.49	362.40	8.55	-71.94
CC(C)[NH+]1CCN(CCC(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300006962176	0	51	0.0	-72.93	418.47	7.49	-65.44
CC(C)N1CC[NH+](CCC(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300006962176	1	51	0.0	-76.40	415.28	7.31	-69.09
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CCCC4CCC[N@@H+]43)S2)S1	REAL300006962177	0	44	0.0	-68.18	367.52	9.13	-59.05
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CCCC4CCC[N@H+]43)S2)S1	REAL300006962177	1	44	0.0	-70.96	359.81	8.87	-62.09
C[NH+](C)CCN1C=C(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=N1	REAL300006962178	0	43	0.0	-81.77	387.43	7.79	-73.98
CCCC(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[NH+](C)C	REAL300006962205	0	42	0.0	-73.92	357.23	8.22	-65.70
C[NH+](C)CCN1C=CC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=N1	REAL300006962219	0	43	0.0	-81.06	387.80	7.79	-73.27
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962220	0	43	0.0	-73.90	382.88	7.78	-66.12
C[C@@H]1[C@H](C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC[N@@H+]1C	REAL300006962223	0	40	0.0	-75.45	340.65	7.50	-67.95
C[C@@H]1[C@H](C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC[N@H+]1C	REAL300006962223	1	40	0.0	-74.65	345.18	7.80	-66.85
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962225	1	44	0.0	-69.24	389.07	9.51	-59.73
CC[C@@H]1[C@@H](C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC[N@@H+]1C	REAL300006962228	0	43	0.0	-75.14	360.08	8.00	-67.14
CC[C@@H]1[C@@H](C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC[N@H+]1C	REAL300006962228	1	43	0.0	-74.73	365.00	8.34	-66.39
CC1C[N@H+](C)CC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)O1	REAL300006962237	1	41	0.0	-77.68	354.58	7.34	-70.34
CC1C[N@@H+](C)CC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)O1	REAL300006962237	1	41	0.0	-76.95	354.56	7.34	-69.61
O=C([O-])C1=CC2=C(C=C(CNC(=O)C[NH+]3CCCC3)S2)S1	REAL300006962243	1	37	0.0	-74.10	328.59	7.45	-66.65
CC1=[NH+]C=CN1CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962245	1	35	0.0	-71.62	332.54	7.93	-63.69
CC(C[NH+]1CCOCC1)C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962247	0	44	0.0	-76.45	374.42	7.04	-69.41
CC1CC[NH+](CC(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300006962266	1	43	0.0	-75.16	366.07	8.80	-66.36
CC[N@@H+]1CCOC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006962277	1	41	0.0	-79.95	358.29	7.40	-72.55
CC[N@H+]1CCOC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006962277	1	41	0.0	-79.78	358.29	7.40	-72.38
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CC[N@@H+](C4CCCCC4)C3)S2)S1	REAL300006962309	0	50	0.0	-74.39	408.97	10.26	-64.13
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CC[N@H+](C4CCCCC4)C3)S2)S1	REAL300006962309	1	50	0.0	-73.61	408.64	10.25	-63.36
C[N@@H+]1CCCC1CCC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962314	0	43	0.0	-75.63	370.50	8.80	-66.83
C[N@H+]1CCCC1CCC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962314	1	43	0.0	-73.98	365.05	8.33	-65.65
O=C([O-])C1=CC2=C(C=C(CNC(=O)C34CCC[NH+](CCC3)C4)S2)S1	REAL300006962325	0	44	0.0	-75.15	360.51	8.51	-66.64
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962327	1	41	0.0	-77.10	351.04	4.70	-72.40
C[N@H+]1CC(O)CC1(C)C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962327	1	41	0.0	-77.69	350.68	4.63	-73.06
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CCC4CCCC[N@@H+]43)S2)S1	REAL300006962328	0	44	0.0	-70.71	363.99	8.77	-61.94
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CCC4CCCC[N@H+]43)S2)S1	REAL300006962328	1	44	0.0	-69.20	370.39	9.21	-59.99
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962335	0	47	0.0	-73.71	383.92	7.38	-66.33
CC[NH+](CC)CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962350	0	39	0.0	-73.20	339.21	7.68	-65.52
CC(C)[NH+]1CCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300006962352	0	46	0.0	-74.43	378.35	8.92	-65.51
O=C([O-])C1=CC2=C(C=C(CNC(=O)C34CC[NH+](CC3)C4)S2)S1	REAL300006962429	0	38	0.0	-75.69	334.74	6.81	-68.88
CCC(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[NH+](C)C	REAL300006962432	0	39	0.0	-72.77	333.83	7.26	-65.51
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O=C([O-])C1=CC2=C(C=C(CNC(=O)C34CC[N@@H+](C3)CCC4)S2)S1	REAL300006962440	1	41	0.0	-77.31	345.04	7.55	-69.76
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C[NH+](C)C(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1=CC=CC=C1	REAL300006962546	1	43	0.0	-72.59	377.77	9.80	-62.79
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962553	1	44	0.0	-68.95	388.53	9.46	-59.49
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3CCC[N@@H+]3C3CCCC3)S2)S1	REAL300006962559	0	47	0.0	-70.31	386.38	9.75	-60.56
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CC[N@H+](CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CC1	REAL300006962561	0	40	0.0	-71.28	348.36	8.10	-63.18
CC[N@@H+](CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CC1	REAL300006962561	1	40	0.0	-71.35	348.06	8.06	-63.29
CC(C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[NH+]1CCCCCC1	REAL300006962581	0	46	0.0	-73.05	367.61	8.98	-64.07
C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962584	1	37	0.0	-71.85	328.91	7.33	-64.52
C[N@H+]1CCC[C@H]1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962584	1	37	0.0	-73.57	323.11	6.85	-66.72
CC(C)(C)[NH2+]CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962647	0	39	0.0	-74.33	342.06	6.04	-68.29
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)O1	REAL300006962648	0	46	0.0	-75.98	398.94	9.20	-66.78
O=C([O-])C1=CC2=C(C=C(CNC(=O)CCCC[NH+]3CCCC3)S2)S1	REAL300006962649	0	46	0.0	-74.66	394.44	9.62	-65.04
C[N@H+](CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)CC1=CC=CC=C1	REAL300006962651	1	43	0.0	-79.02	379.77	9.90	-69.12
C[N@@H+](CC(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)CC1=CC=CC=C1	REAL300006962651	1	43	0.0	-79.00	379.77	9.91	-69.09
CC(C)[C@@H](C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1)[NH+](C)C	REAL300006962659	0	42	0.0	-72.62	350.49	8.55	-64.07
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)S2)S1	REAL300006962677	1	38	0.0	-81.46	362.41	7.74	-73.72
C[NH+](C)CC1=CC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=NO1	REAL300006962695	1	39	0.0	-82.16	361.22	7.27	-74.89
CC(C)[N@@H+]1CCCC1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962708	0	43	0.0	-71.76	355.91	8.58	-63.18
CC(C)[N@H+]1CCCC1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962708	1	43	0.0	-70.01	361.92	8.41	-61.60
C[NH+]1CCC(OCC(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300006962727	0	44	0.0	-79.27	383.06	8.41	-70.86
CCC[N@@H+]1CCCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006962869	0	46	0.0	-69.83	380.60	9.52	-60.31
CCC[N@H+]1CCCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006962869	1	46	0.0	-69.76	380.59	9.52	-60.24
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962892	0	46	0.0	-71.04	388.06	9.48	-61.56
CC(C)C[N@H+]1CCCC1C(=O)NCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300006962892	1	46	0.0	-71.98	382.06	8.96	-63.02
O=C([O-])C1=CC2=C(C=C(CNC(=O)C[NH+]3CCC(CO)CC3)S2)S1	REAL300006962893	1	44	0.0	-77.74	376.90	5.49	-72.25
CC(C)[N@@H+]1CCCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963073	0	46	0.0	-68.70	375.76	9.30	-59.40
CC(C)[N@H+]1CCCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963073	1	46	0.0	-68.68	375.74	9.30	-59.38
C[N@@H+]1CC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(C(F)(F)F)C1	REAL300006963074	0	40	0.0	-80.61	366.49	8.12	-72.49
C[N@H+]1CC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(C(F)(F)F)C1	REAL300006963074	1	40	0.0	-81.33	360.50	7.81	-73.52
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)N1	REAL300006963097	1	41	0.0	-69.76	373.35	7.60	-62.16
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300006963480	0	46	0.0	-78.32	403.76	10.62	-67.70
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963601	0	40	0.0	-74.91	352.84	8.02	-66.89
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300006963605	0	46	0.0	-71.78	375.41	8.99	-62.79
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963660	0	49	0.0	-73.27	404.29	10.00	-63.27
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963660	1	49	0.0	-73.27	404.29	10.00	-63.27
CC[N@@H+]1CCCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963661	0	43	0.0	-73.17	365.34	8.57	-64.60
CC[N@H+]1CCCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963661	1	43	0.0	-73.17	365.34	8.57	-64.60
C[N@@H+]1CCCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963666	0	40	0.0	-74.91	347.68	7.91	-67.00
C[N@H+]1CCCC(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963666	1	40	0.0	-74.91	347.68	7.91	-67.00
CN(C)CC1=CC=C(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)O1	REAL300006963668	0	40	0.0	-77.61	366.61	8.01	-69.60
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)O1	REAL300006963668	1	40	0.0	-77.61	366.61	8.01	-69.60
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963674	0	49	0.0	-76.87	385.46	8.98	-67.89
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300006963674	1	49	0.0	-76.87	385.46	8.98	-67.89
O=C([O-])C1=CC2=C(C=C(CNC(=O)C34CC(C3)CN4C3CC3)S2)S1	REAL300006963677	0	42	0.0	-70.23	360.61	8.86	-61.37
O=C([O-])C1=CC2=C(C=C(CNC(=O)C34CC(C3)C[N@@H+]4C3CC3)S2)S1	REAL300006963677	1	42	0.0	-71.01	359.31	9.75	-61.26
O=C([O-])C1=CC2=C(C=C(CNC(=O)C34CC(C3)C[N@H+]4C3CC3)S2)S1	REAL300006963677	1	42	0.0	-71.01	359.31	9.75	-61.26
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300006963758	0	47	0.0	-48.17	374.07	8.06	-40.11
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2COC(F)(F)F)C1	REAL300006963872	0	47	0.0	-46.59	354.15	8.88	-37.71
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2COC(F)(F)F)C1	REAL300006963872	1	47	0.0	-46.59	354.15	8.88	-37.71
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006963913	0	45	0.0	-73.89	338.56	6.04	-67.85
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006963913	1	45	0.0	-73.89	338.56	6.04	-67.85
C[N@@H+]1CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC12CCOCC2	REAL300006963914	0	49	0.0	-78.50	369.66	6.31	-72.19
C[N@H+]1CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC12CCOCC2	REAL300006963914	1	49	0.0	-78.50	369.66	6.31	-72.19
C[N@@H+]1CC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963915	0	45	0.0	-79.20	338.10	6.21	-72.99
C[N@H+]1CC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963915	1	45	0.0	-79.20	338.10	6.21	-72.99
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])S2)CC12CCOCC2	REAL300006963916	0	42	0.0	-66.08	332.52	5.42	-60.66
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])S2)CC12CCOCC2	REAL300006963916	1	42	0.0	-66.08	332.52	5.42	-60.66
C[N@@H+]1CC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)CC12CCOCC2	REAL300006963917	0	44	0.0	-60.96	336.25	4.46	-56.50
C[N@H+]1CC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)CC12CCOCC2	REAL300006963917	1	44	0.0	-60.96	336.25	4.46	-56.50
CC(SC1=CC=CC=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300006963918	0	52	0.0	-76.66	393.43	7.87	-68.79
CC(SC1=CC=CC=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300006963918	1	52	0.0	-76.66	393.43	7.87	-68.79
CCOC1=CC(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)=CC=C1OCC(=O)[O-]	REAL300006963919	0	56	0.0	-79.29	420.66	6.99	-72.30
CCOC1=CC(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)=CC=C1OCC(=O)[O-]	REAL300006963919	1	56	0.0	-79.29	420.66	6.99	-72.30
C[N@@H+]1CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006963920	0	51	0.0	-78.22	384.63	7.53	-70.69
C[N@H+]1CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006963920	1	51	0.0	-78.22	384.63	7.53	-70.69
C[N@@H+]1CC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963921	0	44	0.0	-82.37	334.19	4.45	-77.92
C[N@H+]1CC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963921	1	44	0.0	-82.37	334.19	4.45	-77.92
C[N@@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006963922	0	49	0.0	-76.70	372.73	7.40	-69.30
C[N@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006963922	1	49	0.0	-76.70	372.73	7.40	-69.30
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCOCC2	REAL300006963923	0	47	0.0	-72.48	366.26	6.87	-65.61
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCOCC2	REAL300006963923	1	47	0.0	-72.48	366.26	6.87	-65.61
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCOCC2	REAL300006963924	0	47	0.0	-72.48	366.26	6.87	-65.61
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC12CCOCC2	REAL300006963924	1	47	0.0	-72.48	366.26	6.87	-65.61
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C=C1	REAL300006963925	0	55	0.0	-80.12	413.56	7.60	-72.52
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C=C1	REAL300006963925	1	55	0.0	-80.12	413.56	7.60	-72.52
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCOCC2	REAL300006963926	0	52	0.0	-74.75	396.62	7.06	-67.69
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCOCC2	REAL300006963926	1	52	0.0	-74.75	396.62	7.06	-67.69
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])O2)CC12CCOCC2	REAL300006963927	0	42	0.0	-61.97	325.77	4.61	-57.36
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])O2)CC12CCOCC2	REAL300006963927	1	42	0.0	-61.97	325.77	4.61	-57.36
C[N@@H+]1CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])CC12CCOCC2	REAL300006963928	0	51	0.0	-68.96	375.68	7.26	-61.70
C[N@H+]1CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])CC12CCOCC2	REAL300006963928	1	51	0.0	-68.96	375.68	7.26	-61.70
CC1=CC(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)=CC(C)=C1OCC(=O)[O-]	REAL300006963929	0	55	0.0	-75.89	411.43	7.76	-68.13
CC1=CC(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)=CC(C)=C1OCC(=O)[O-]	REAL300006963929	1	55	0.0	-75.89	411.43	7.76	-68.13
C[N@@H+]1CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963930	0	48	0.0	-80.18	363.22	6.90	-73.28
C[N@H+]1CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963930	1	48	0.0	-80.18	363.22	6.90	-73.28
C[N@@H+]1CC(NC(=O)C2CCCC(C(=O)[O-])C2)CC12CCOCC2	REAL300006963931	0	51	0.0	-76.34	357.62	6.28	-70.06
C[N@H+]1CC(NC(=O)C2CCCC(C(=O)[O-])C2)CC12CCOCC2	REAL300006963931	1	51	0.0	-76.34	357.62	6.28	-70.06
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)CC12CCOCC2	REAL300006963932	0	44	0.0	-73.83	334.53	4.23	-69.60
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)CC12CCOCC2	REAL300006963932	1	44	0.0	-73.83	334.53	4.23	-69.60
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC12CCOCC2	REAL300006963933	0	44	0.0	-63.18	335.61	4.48	-58.70
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC12CCOCC2	REAL300006963933	1	44	0.0	-63.18	335.61	4.48	-58.70
C[N@@H+]1CC(NC(=O)CC(C)(C)CC(=O)[O-])CC12CCOCC2	REAL300006963934	0	50	0.0	-70.38	347.70	5.46	-64.92
C[N@H+]1CC(NC(=O)CC(C)(C)CC(=O)[O-])CC12CCOCC2	REAL300006963934	1	50	0.0	-70.38	347.70	5.46	-64.92
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC12CCOCC2	REAL300006963935	0	45	0.0	-73.32	343.14	6.10	-67.22
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC12CCOCC2	REAL300006963935	1	45	0.0	-73.32	343.14	6.10	-67.22
C[N@@H+]1CC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)CC12CCOCC2	REAL300006963936	0	43	0.0	-65.88	331.19	2.62	-63.26
C[N@H+]1CC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)CC12CCOCC2	REAL300006963936	1	43	0.0	-65.88	331.19	2.62	-63.26
C[N@@H+]1CC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC12CCOCC2	REAL300006963937	0	51	0.0	-71.80	362.65	6.20	-65.60
C[N@H+]1CC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC12CCOCC2	REAL300006963937	1	51	0.0	-71.80	362.65	6.20	-65.60
C[N@@H+]1CC(NC(=O)C2CCC(C(=O)[O-])CC2)CC12CCOCC2	REAL300006963938	0	51	0.0	-72.77	364.70	6.27	-66.50
C[N@H+]1CC(NC(=O)C2CCC(C(=O)[O-])CC2)CC12CCOCC2	REAL300006963938	1	51	0.0	-72.77	364.70	6.27	-66.50
C[N@@H+]1CC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006963939	0	48	0.0	-83.13	363.21	6.72	-76.41
C[N@H+]1CC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006963939	1	48	0.0	-83.13	363.21	6.72	-76.41
C[N@@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])N=N2)CC12CCOCC2	REAL300006963940	0	44	0.0	-81.75	340.36	2.88	-78.87
C[N@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])N=N2)CC12CCOCC2	REAL300006963940	1	44	0.0	-81.75	340.36	2.88	-78.87
CC1=NC(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)=CC=C1C(=O)[O-]	REAL300006963941	0	47	0.0	-63.98	352.26	4.82	-59.16
CC1=NC(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)=CC=C1C(=O)[O-]	REAL300006963941	1	47	0.0	-63.98	352.26	4.82	-59.16
C[N@@H+]1CC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963942	0	45	0.0	-73.63	359.98	6.61	-67.02
C[N@H+]1CC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963942	1	45	0.0	-73.63	359.98	6.61	-67.02
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006963943	0	45	0.0	-73.89	338.56	6.04	-67.85
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006963943	1	45	0.0	-73.89	338.56	6.04	-67.85
C[N@@H+]1CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOCC2	REAL300006963944	0	48	0.0	-77.25	347.01	5.61	-71.64
C[N@H+]1CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOCC2	REAL300006963944	1	48	0.0	-77.25	347.01	5.61	-71.64
C[N@@H+]1CC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC12CCOCC2	REAL300006963945	0	48	0.0	-74.62	360.03	6.74	-67.88
C[N@H+]1CC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC12CCOCC2	REAL300006963945	1	48	0.0	-74.62	360.03	6.74	-67.88
C[N@@H+]1CC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC12CCOCC2	REAL300006963946	0	55	0.0	-65.63	404.08	9.59	-56.04
C[N@H+]1CC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC12CCOCC2	REAL300006963946	1	55	0.0	-65.63	404.08	9.59	-56.04
C[N@@H+]1CC(NC(=O)C2=C(CC(=O)[O-])OC=C2)CC12CCOCC2	REAL300006963947	0	45	0.0	-70.01	341.00	5.14	-64.87
C[N@H+]1CC(NC(=O)C2=C(CC(=O)[O-])OC=C2)CC12CCOCC2	REAL300006963947	1	45	0.0	-70.01	341.00	5.14	-64.87
CC1=COC(CC(=O)[O-])=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006963948	0	48	0.0	-71.82	367.99	5.55	-66.27
CC1=COC(CC(=O)[O-])=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006963948	1	48	0.0	-71.82	367.99	5.55	-66.27
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC=N2)CC12CCOCC2	REAL300006963949	0	44	0.0	-67.49	335.70	4.50	-62.99
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CC=N2)CC12CCOCC2	REAL300006963949	1	44	0.0	-67.49	335.70	4.50	-62.99
C[N@@H+]1CC(NC(=O)C23CC(C(=O)[O-])(C2)C3)CC12CCOCC2	REAL300006963950	0	46	0.0	-70.07	341.34	5.77	-64.30
C[N@H+]1CC(NC(=O)C23CC(C(=O)[O-])(C2)C3)CC12CCOCC2	REAL300006963950	1	46	0.0	-70.07	341.34	5.77	-64.30
C[N@@H+]1CC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC12CCOCC2	REAL300006963951	0	54	0.0	-69.85	375.00	6.70	-63.15
C[N@H+]1CC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC12CCOCC2	REAL300006963951	1	54	0.0	-69.85	375.00	6.70	-63.15
C[N@@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC12CCOCC2	REAL300006963952	0	52	0.0	-78.28	372.03	6.58	-71.70
C[N@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC12CCOCC2	REAL300006963952	1	52	0.0	-78.28	372.03	6.58	-71.70
C[N@@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCOCC2	REAL300006963953	0	55	0.0	-76.17	382.46	6.96	-69.21
C[N@H+]1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCOCC2	REAL300006963953	1	55	0.0	-76.17	382.46	6.96	-69.21
C[N@@H+]1CC(NC(=O)CC(C)(C)CC(=O)[O-])CC12CCOCC2	REAL300006963954	0	50	0.0	-70.38	347.70	5.46	-64.92
C[N@H+]1CC(NC(=O)CC(C)(C)CC(=O)[O-])CC12CCOCC2	REAL300006963954	1	50	0.0	-70.38	347.70	5.46	-64.92
C[N@@H+]1CC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC12CCOCC2	REAL300006963955	0	47	0.0	-75.95	361.21	5.52	-70.43
C[N@H+]1CC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC12CCOCC2	REAL300006963955	1	47	0.0	-75.95	361.21	5.52	-70.43
C[N@@H+]1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCOCC2	REAL300006963956	0	52	0.0	-71.98	390.69	6.91	-65.07
C[N@H+]1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCOCC2	REAL300006963956	1	52	0.0	-71.98	390.69	6.91	-65.07
C[N@@H+]1CC(NC(=O)C2=NOC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963957	0	41	0.0	-60.61	319.07	3.78	-56.83
C[N@H+]1CC(NC(=O)C2=NOC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963957	1	41	0.0	-60.61	319.07	3.78	-56.83
C[N@@H+]1CC(NC(=O)C2(C(=O)[O-])CCCC2)CC12CCOCC2	REAL300006963958	0	48	0.0	-51.11	341.67	5.69	-45.42
C[N@H+]1CC(NC(=O)C2(C(=O)[O-])CCCC2)CC12CCOCC2	REAL300006963958	1	48	0.0	-51.11	341.67	5.69	-45.42
C[N@@H+]1CC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC12CCOCC2	REAL300006963959	0	58	0.0	-72.91	417.04	9.11	-63.80
C[N@H+]1CC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC12CCOCC2	REAL300006963959	1	58	0.0	-72.91	417.04	9.11	-63.80
CC1=C(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C=C(C(=O)[O-])O1	REAL300006963960	0	45	0.0	-65.91	341.67	5.37	-60.54
CC1=C(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C=C(C(=O)[O-])O1	REAL300006963960	1	45	0.0	-65.91	341.67	5.37	-60.54
CC1=C(C(=O)[O-])OC(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)=C1	REAL300006963961	0	45	0.0	-62.61	342.93	5.02	-57.59
CC1=C(C(=O)[O-])OC(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)=C1	REAL300006963961	1	45	0.0	-62.61	342.93	5.02	-57.59
C[N@@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])C=N2)CC12CCOCC2	REAL300006963962	0	45	0.0	-79.87	345.31	4.19	-75.68
C[N@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])C=N2)CC12CCOCC2	REAL300006963962	1	45	0.0	-79.87	345.31	4.19	-75.68
C[N@@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC12CCOCC2	REAL300006963963	0	46	0.0	-66.70	358.14	5.62	-61.08
C[N@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC12CCOCC2	REAL300006963963	1	46	0.0	-66.70	358.14	5.62	-61.08
C[N@@H+]1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCOCC2	REAL300006963964	0	52	0.0	-47.18	370.48	6.87	-40.31
C[N@H+]1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCOCC2	REAL300006963964	1	52	0.0	-47.18	370.48	6.87	-40.31
C[N@@H+]1CC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC12CCOCC2	REAL300006963965	0	49	0.0	-73.55	369.56	6.32	-67.23
C[N@H+]1CC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC12CCOCC2	REAL300006963965	1	49	0.0	-73.55	369.56	6.32	-67.23
C[N@@H+]1CC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCOCC2	REAL300006963966	0	54	0.0	-76.39	406.47	6.60	-69.79
C[N@H+]1CC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC12CCOCC2	REAL300006963966	1	54	0.0	-76.39	406.47	6.60	-69.79
C[N@@H+]1CC(NC(=O)CCSCC(=O)[O-])CC12CCOCC2	REAL300006963967	0	45	0.0	-70.10	349.29	5.42	-64.68
C[N@H+]1CC(NC(=O)CCSCC(=O)[O-])CC12CCOCC2	REAL300006963967	1	45	0.0	-70.10	349.29	5.42	-64.68
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC12CCOCC2	REAL300006963968	0	44	0.0	-63.18	335.61	4.48	-58.70
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC12CCOCC2	REAL300006963968	1	44	0.0	-63.18	335.61	4.48	-58.70
CN1N=C(C(=O)[O-])C=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006963969	0	45	0.0	-72.82	341.28	3.71	-69.11
CN1N=C(C(=O)[O-])C=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006963969	1	45	0.0	-72.82	341.28	3.71	-69.11
C[C@@H]1C[C@H](C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)O[C@H]1C(=O)[O-]	REAL300006963970	0	49	0.0	-78.64	361.06	5.54	-73.10
C[C@@H]1C[C@H](C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)O[C@H]1C(=O)[O-]	REAL300006963970	1	49	0.0	-78.64	361.06	5.54	-73.10
C[N@@H+]1CC(NC(=O)C(C)(C)CCC(=O)[O-])CC12CCOCC2	REAL300006963971	0	50	0.0	-73.90	356.66	5.55	-68.35
C[N@H+]1CC(NC(=O)C(C)(C)CCC(=O)[O-])CC12CCOCC2	REAL300006963971	1	50	0.0	-73.90	356.66	5.55	-68.35
C[N@@H+]1CC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC12CCOCC2	REAL300006963972	0	48	0.0	-69.10	360.74	6.81	-62.29
C[N@H+]1CC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC12CCOCC2	REAL300006963972	1	48	0.0	-69.10	360.74	6.81	-62.29
C[N@@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC12CCOCC2	REAL300006963973	0	49	0.0	-75.67	370.63	7.32	-68.35
C[N@H+]1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC12CCOCC2	REAL300006963973	1	49	0.0	-75.67	370.63	7.32	-68.35
C[N@@H+]1CC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC12CCOCC2	REAL300006963974	0	46	0.0	-73.02	357.76	5.45	-67.57
C[N@H+]1CC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC12CCOCC2	REAL300006963974	1	46	0.0	-73.02	357.76	5.45	-67.57
C[N@@H+]1CC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])CC12CCOCC2	REAL300006963975	0	51	0.0	-72.45	374.25	7.75	-64.70
C[N@H+]1CC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])CC12CCOCC2	REAL300006963975	1	51	0.0	-72.45	374.25	7.75	-64.70
C[N@@H+]1CC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)CC12CCOCC2	REAL300006963976	0	48	0.0	-77.61	371.33	1.76	-75.85
C[N@H+]1CC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)CC12CCOCC2	REAL300006963976	1	48	0.0	-77.61	371.33	1.76	-75.85
C[N@@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC12CCOCC2	REAL300006963977	0	46	0.0	-69.80	359.28	5.99	-63.81
C[N@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC12CCOCC2	REAL300006963977	1	46	0.0	-69.80	359.28	5.99	-63.81
C[N@@H+]1CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOCC2	REAL300006963978	0	48	0.0	-77.25	347.01	5.61	-71.64
C[N@H+]1CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOCC2	REAL300006963978	1	48	0.0	-77.25	347.01	5.61	-71.64
CC1=CC=C(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C=C1C(=O)[O-]	REAL300006963979	0	48	0.0	-79.99	358.15	6.84	-73.15
CC1=CC=C(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C=C1C(=O)[O-]	REAL300006963979	1	48	0.0	-79.99	358.15	6.84	-73.15
C[N@@H+]1CC(NC(=O)C2=CN=CC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963980	0	44	0.0	-73.69	333.76	4.23	-69.46
C[N@H+]1CC(NC(=O)C2=CN=CC(C(=O)[O-])=C2)CC12CCOCC2	REAL300006963980	1	44	0.0	-73.69	333.76	4.23	-69.46
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006963981	0	47	0.0	-61.33	350.79	5.07	-56.26
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006963981	1	47	0.0	-61.33	350.79	5.07	-56.26
C[N@@H+]1CC(NC(=O)CN2C=CC(C(=O)[O-])=N2)CC12CCOCC2	REAL300006963982	0	45	0.0	-84.83	344.64	4.39	-80.44
C[N@H+]1CC(NC(=O)CN2C=CC(C(=O)[O-])=N2)CC12CCOCC2	REAL300006963982	1	45	0.0	-84.83	344.64	4.39	-80.44
C[N@@H+]1CC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC12CCOCC2	REAL300006963983	0	51	0.0	-90.74	388.26	5.58	-85.16
C[N@H+]1CC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC12CCOCC2	REAL300006963983	1	51	0.0	-90.74	388.26	5.58	-85.16
C[N@@H+]1CC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC12CCOCC2	REAL300006963984	0	52	0.0	-77.04	382.12	6.14	-70.90
C[N@H+]1CC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC12CCOCC2	REAL300006963984	1	52	0.0	-77.04	382.12	6.14	-70.90
C[N@@H+]1CC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC12CCOCC2	REAL300006963985	0	52	0.0	-70.40	382.16	5.01	-65.39
C[N@H+]1CC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC12CCOCC2	REAL300006963985	1	52	0.0	-70.40	382.16	5.01	-65.39
CC1=C(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)OC(C(=O)[O-])=C1	REAL300006963986	0	45	0.0	-62.73	342.82	5.12	-57.61
CC1=C(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)OC(C(=O)[O-])=C1	REAL300006963986	1	45	0.0	-62.73	342.82	5.12	-57.61
C[N@@H+]1CC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300006963987	0	53	0.0	-51.52	361.92	7.37	-44.15
C[N@H+]1CC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300006963987	1	53	0.0	-51.52	361.92	7.37	-44.15
C[N@@H+]1CC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC12CCOCC2	REAL300006963988	0	51	0.0	-66.30	354.64	6.54	-59.76
C[N@H+]1CC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC12CCOCC2	REAL300006963988	1	51	0.0	-66.30	354.64	6.54	-59.76
C[NH+]1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC12CCOCC2	REAL300006963989	1	53	0.0	-68.14	372.86	3.69	-64.45
C[N@@H+]1CC(NC(=O)CN2CCCC(C(=O)[O-])C2)CC12CCOCC2	REAL300006963989	1	53	0.0	-75.31	379.36	4.14	-71.17
C[N@H+]1CC(NC(=O)CN2CCCC(C(=O)[O-])C2)CC12CCOCC2	REAL300006963989	1	53	0.0	-75.31	379.36	4.14	-71.17
C[N@@H+]1CC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC12CCOCC2	REAL300006963990	0	52	0.0	-55.45	388.51	8.08	-47.37
C[N@H+]1CC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC12CCOCC2	REAL300006963990	1	52	0.0	-55.45	388.51	8.08	-47.37
C[N@@H+]1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCOCC2	REAL300006963991	0	52	0.0	-71.98	390.69	6.91	-65.07
C[N@H+]1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC12CCOCC2	REAL300006963991	1	52	0.0	-71.98	390.69	6.91	-65.07
C[N@@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC12CCOCC2	REAL300006963992	0	52	0.0	-87.79	396.56	8.35	-79.44
C[N@H+]1CC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC12CCOCC2	REAL300006963992	1	52	0.0	-87.79	396.56	8.35	-79.44
C[N@@H+]1CC(NC(=O)C2CC3(CC3C(=O)[O-])C2)CC12CCOCC2	REAL300006963993	0	49	0.0	-73.18	362.31	6.63	-66.55
C[N@H+]1CC(NC(=O)C2CC3(CC3C(=O)[O-])C2)CC12CCOCC2	REAL300006963993	1	49	0.0	-73.18	362.31	6.63	-66.55
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006963994	0	51	0.0	-73.27	370.45	6.77	-66.50
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006963994	1	51	0.0	-73.27	370.45	6.77	-66.50
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006963995	0	48	0.0	-62.56	355.37	6.89	-55.67
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006963995	1	48	0.0	-62.56	355.37	6.89	-55.67
C[N@@H+]1CC(NC(=O)C2CC(C)(C(=O)[O-])C2)CC12CCOCC2	REAL300006963996	0	48	0.0	-76.01	350.94	5.69	-70.32
C[N@H+]1CC(NC(=O)C2CC(C)(C(=O)[O-])C2)CC12CCOCC2	REAL300006963996	1	48	0.0	-76.01	350.94	5.69	-70.32
C[N@@H+]1CC(NC(=O)C2=C(C(=O)[O-])SC=C2)CC12CCOCC2	REAL300006963997	0	42	0.0	-71.18	326.59	6.10	-65.08
C[N@H+]1CC(NC(=O)C2=C(C(=O)[O-])SC=C2)CC12CCOCC2	REAL300006963997	1	42	0.0	-71.18	326.59	6.10	-65.08
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=NN2)CC12CCOCC2	REAL300006963998	0	42	0.0	-76.38	322.00	2.62	-73.76
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=NN2)CC12CCOCC2	REAL300006963998	1	42	0.0	-76.38	322.00	2.62	-73.76
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006963999	0	47	0.0	-71.10	343.87	5.00	-66.10
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006963999	1	47	0.0	-71.10	343.87	5.00	-66.10
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006964000	0	48	0.0	-74.17	355.37	6.88	-67.29
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006964000	1	48	0.0	-74.17	355.37	6.88	-67.29
C[N@@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC12CCOCC2	REAL300006964001	0	45	0.0	-72.28	346.18	6.61	-65.67
C[N@H+]1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC12CCOCC2	REAL300006964001	1	45	0.0	-72.18	351.10	6.53	-65.65
C[N@@H+]1CC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC12CCOCC2	REAL300006964002	0	52	0.0	-75.48	379.83	6.94	-68.54
C[N@H+]1CC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC12CCOCC2	REAL300006964002	1	52	0.0	-73.62	378.59	6.82	-66.80
COC1=CC(C(=O)[O-])=NC(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)=C1	REAL300006964003	0	48	0.0	-58.88	365.99	3.79	-55.09
COC1=CC(C(=O)[O-])=NC(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)=C1	REAL300006964003	1	48	0.0	-59.34	366.48	3.62	-55.72
CN1C(C(=O)[O-])=CC=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006964004	0	46	0.0	-72.05	340.99	5.44	-66.61
CN1C(C(=O)[O-])=CC=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006964004	1	46	0.0	-73.38	343.00	5.38	-68.00
C[N@@H+]1CC(NC(=O)C2(C(=O)[O-])CC=CC2)CC12CCOCC2	REAL300006964005	0	46	0.0	-57.32	334.32	5.51	-51.81
C[N@H+]1CC(NC(=O)C2(C(=O)[O-])CC=CC2)CC12CCOCC2	REAL300006964005	1	46	0.0	-50.70	335.70	5.58	-45.12
C[N@@H+]1CC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC12CCOCC2	REAL300006964006	0	51	0.0	-72.57	377.28	7.69	-64.88
C[N@H+]1CC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC12CCOCC2	REAL300006964006	1	51	0.0	-72.44	382.14	7.61	-64.83
CC1=NNC(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)=C1C(=O)[O-]	REAL300006964007	0	45	0.0	-71.01	334.17	3.85	-67.16
CC1=NNC(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)=C1C(=O)[O-]	REAL300006964007	1	45	0.0	-69.10	334.08	4.04	-65.06
C[N@@H+]1CC(NC(=O)CC2(CC(=O)[O-])CC2)CC12CCOCC2	REAL300006964008	0	48	0.0	-65.32	347.66	5.86	-59.46
C[N@H+]1CC(NC(=O)CC2(CC(=O)[O-])CC2)CC12CCOCC2	REAL300006964008	1	48	0.0	-65.06	352.52	5.79	-59.27
C[N@@H+]1CC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC12CCOCC2	REAL300006964009	0	49	0.0	-75.73	373.84	6.65	-69.08
C[N@H+]1CC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC12CCOCC2	REAL300006964009	1	49	0.0	-72.46	372.64	6.55	-65.91
C[N@@H+]1CC(NC(=O)C2=CSC(C(=O)[O-])=N2)CC12CCOCC2	REAL300006964010	0	41	0.0	-58.70	328.33	3.16	-55.54
C[N@H+]1CC(NC(=O)C2=CSC(C(=O)[O-])=N2)CC12CCOCC2	REAL300006964010	1	41	0.0	-58.78	328.26	3.17	-55.61
CC1=C(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C=C(C(=O)[O-])S1	REAL300006964011	0	45	0.0	-63.81	347.83	5.87	-57.94
CC1=C(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C=C(C(=O)[O-])S1	REAL300006964011	1	45	0.0	-63.80	347.82	5.87	-57.93
C[N@@H+]1CC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC12CCOCC2	REAL300006964012	0	45	0.0	-74.85	368.76	6.65	-68.20
C[N@H+]1CC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC12CCOCC2	REAL300006964012	1	45	0.0	-73.62	367.94	6.77	-66.85
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)=C1	REAL300006964013	0	49	0.0	-74.48	376.30	5.72	-68.76
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)=C1	REAL300006964013	1	49	0.0	-74.53	376.25	5.71	-68.82
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006964014	0	48	0.0	-67.09	361.74	6.52	-60.57
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006964014	1	48	0.0	-61.99	362.69	6.30	-55.69
C[N@@H+]1CC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC12CCOCC2	REAL300006964015	0	48	0.0	-78.08	373.80	7.31	-70.77
C[N@H+]1CC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC12CCOCC2	REAL300006964015	1	48	0.0	-76.79	373.28	7.48	-69.31
C[N@@H+]1CC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])CC12CCOCC2	REAL300006964016	0	50	0.0	-66.98	372.31	5.48	-61.50
C[N@H+]1CC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])CC12CCOCC2	REAL300006964016	1	50	0.0	-74.69	372.16	5.49	-69.20
C[N@@H+]1CC(NC(=O)C23CC(C(=O)[O-])(C2)CO3)CC12CCOCC2	REAL300006964017	0	47	0.0	-66.25	348.87	3.61	-62.64
C[N@H+]1CC(NC(=O)C23CC(C(=O)[O-])(C2)CO3)CC12CCOCC2	REAL300006964017	1	47	0.0	-65.47	344.14	3.65	-61.82
C[N@@H+]1CC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006964018	0	49	0.0	-78.25	374.63	7.36	-70.89
C[N@H+]1CC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC12CCOCC2	REAL300006964018	1	49	0.0	-76.71	372.72	7.40	-69.31
C[N@@H+]1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCOCC2	REAL300006964019	0	52	0.0	-43.96	373.27	7.08	-36.88
C[N@H+]1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC12CCOCC2	REAL300006964019	1	52	0.0	-47.18	370.48	6.87	-40.31
CN1N=CC(C(=O)[O-])=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006964020	0	45	0.0	-73.08	344.47	3.46	-69.62
CN1N=CC(C(=O)[O-])=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006964020	1	45	0.0	-71.37	344.50	3.43	-67.94
C[N@@H+]1CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC12CCOCC2	REAL300006964021	0	46	0.0	-65.04	363.77	5.03	-60.01
C[N@H+]1CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC12CCOCC2	REAL300006964021	1	46	0.0	-64.98	364.51	5.22	-59.76
C[N@@H+]1CC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC12CCOCC2	REAL300006964022	0	46	0.0	-75.96	363.95	5.17	-70.79
C[N@H+]1CC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC12CCOCC2	REAL300006964022	1	46	0.0	-75.95	364.69	5.37	-70.58
C[N@@H+]1CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC12CCOCC2	REAL300006964023	0	46	0.0	-65.82	350.23	4.28	-61.54
C[N@H+]1CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC12CCOCC2	REAL300006964023	1	46	0.0	-66.32	354.66	4.34	-61.98
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006964024	0	48	0.0	-78.46	348.73	6.60	-71.86
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006964024	1	48	0.0	-79.05	348.75	6.60	-72.45
C[N@@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC12CCOCC2	REAL300006964025	0	48	0.0	-79.37	368.86	5.45	-73.92
C[N@H+]1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC12CCOCC2	REAL300006964025	1	48	0.0	-79.11	364.37	5.52	-73.59
C=C1CCC1(C(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006964026	0	46	0.0	-56.66	338.76	5.50	-51.16
C=C1CCC1(C(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006964026	1	46	0.0	-54.96	338.13	5.67	-49.29
C[N@@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CS2)CC12CCOCC2	REAL300006964027	0	42	0.0	-76.46	326.93	5.14	-71.32
C[N@H+]1CC(NC(=O)C2=CC(C(=O)[O-])=CS2)CC12CCOCC2	REAL300006964027	1	42	0.0	-75.03	331.37	5.24	-69.79
C[N@@H+]1CC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300006964028	0	50	0.0	-53.71	358.87	4.37	-49.34
C[N@H+]1CC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300006964028	1	50	0.0	-66.23	358.89	4.34	-61.89
C[N@@H+]1CC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC12CCOCC2	REAL300006964029	0	51	0.0	-80.42	374.63	8.11	-72.31
C[N@H+]1CC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC12CCOCC2	REAL300006964029	1	51	0.0	-79.70	374.54	8.30	-71.40
CC(C)[C@]1(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C[C@H]1C(=O)[O-]	REAL300006964030	0	51	0.0	-47.36	367.19	5.95	-41.41
CC(C)[C@]1(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C[C@H]1C(=O)[O-]	REAL300006964030	1	51	0.0	-36.84	369.13	6.27	-30.57
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300006964031	0	51	0.0	-83.66	380.07	7.15	-76.51
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300006964031	1	51	0.0	-85.34	380.34	7.23	-78.11
C[N@@H+]1CC(NC(=O)CC2=CC(C(=O)[O-])=CS2)CC12CCOCC2	REAL300006964032	0	45	0.0	-78.53	356.35	5.99	-72.54
C[N@H+]1CC(NC(=O)CC2=CC(C(=O)[O-])=CS2)CC12CCOCC2	REAL300006964032	1	45	0.0	-78.98	354.76	6.04	-72.94
C[N@@H+]1CC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC12CCOCC2	REAL300006964033	0	48	0.0	-87.72	369.35	6.88	-80.84
C[N@H+]1CC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC12CCOCC2	REAL300006964033	1	48	0.0	-86.56	367.78	6.76	-79.80
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O=C([O-])C[C@H]1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300006967782	1	49	0.0	-63.17	367.82	9.15	-54.02
O=C([O-])C[C@H]1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300006967782	1	49	0.0	-63.65	362.58	8.61	-55.04
O=C([O-])C[C@H]1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300006967786	0	54	0.0	-76.49	400.83	9.10	-67.39
O=C([O-])C[C@H]1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300006967832	0	53	0.0	-64.05	373.62	10.12	-53.93
O=C([O-])C[C@H]1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300006967832	1	53	0.0	-72.19	371.07	10.01	-62.18
O=C([O-])C[C@H]1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300006967852	0	58	0.0	-77.04	419.78	10.69	-66.35
O=C([O-])C[C@H]1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300006967852	1	58	0.0	-74.35	418.81	10.85	-63.50
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H](CC(=O)[O-])C1	REAL300006967859	0	50	0.0	-73.91	344.64	6.84	-67.07
CC(C)[N@@H+]1CCC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006967862	0	59	0.0	-83.29	422.93	9.71	-73.58
CC(C)[N@H+]1CCC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006967862	1	59	0.0	-70.61	416.35	9.95	-60.66
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC[C@H](CC(=O)[O-])C2)C=N1	REAL300006967863	0	53	0.0	-79.92	378.49	8.89	-71.03
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC[C@H](CC(=O)[O-])C2)C=N1	REAL300006967863	1	53	0.0	-85.65	396.23	9.07	-76.58
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC[C@H](CC(=O)[O-])C3)=C2)CC1	REAL300006967869	0	55	0.0	-83.95	406.14	8.71	-75.24
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC[C@H](CC(=O)[O-])C3)C=C2)CC1	REAL300006967870	0	55	0.0	-86.68	407.67	8.93	-77.75
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC[C@H](CC(=O)[O-])C3)C=C2)CC1	REAL300006967870	1	55	0.0	-90.96	407.14	8.81	-82.15
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C=C1	REAL300006967871	0	56	0.0	-58.38	412.46	10.55	-47.83
O=C([O-])C[C@H]1CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300006967972	0	57	0.0	-94.16	422.30	8.67	-85.49
C[NH+](C)CC1=CC=CC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)=C1	REAL300006967976	0	46	0.0	-79.31	349.01	9.49	-69.82
O=C([O-])C[C@H]1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006967977	0	53	0.0	-68.47	381.96	11.47	-57.00
O=C([O-])C[C@H]1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006967977	1	53	0.0	-69.85	389.97	11.35	-58.50
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC[C@H](CC(=O)[O-])C1	REAL300006968033	0	46	0.0	-58.90	345.13	9.46	-49.44
CC[NH+]1CCN(CCC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1	REAL300006968035	0	51	0.0	-79.31	369.08	7.02	-72.29
CCN1CC[NH+](CCC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1	REAL300006968035	1	51	0.0	-73.23	368.90	7.00	-66.23
CC(C)C(C(=O)N1CCC[C@H](CC(=O)[O-])C1)[NH+]1CCCCC1	REAL300006968038	0	52	0.0	-66.26	349.79	9.81	-56.45
C[NH+](C)C(C(=O)N1CCC[C@H](CC(=O)[O-])C1)C1=CC=CC=C1	REAL300006968039	1	46	0.0	-67.60	341.46	9.53	-58.07
O=C([O-])C[C@H]1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300006968043	0	51	0.0	-68.08	378.63	7.79	-60.29
O=C([O-])C[C@H]1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300006968043	1	51	0.0	-73.36	381.74	7.66	-65.70
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC[C@H](CC(=O)[O-])C1	REAL300006968048	1	47	0.0	-68.62	355.89	9.49	-59.13
C[NH+](C)CC1=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)OC2=CC=CC=C21	REAL300006968049	0	49	0.0	-58.88	366.46	10.16	-48.72
O=C([O-])C[C@H]1CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300006968053	0	50	0.0	-69.26	345.44	9.74	-59.52
O=C([O-])C[C@H]1CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300006968053	1	50	0.0	-66.95	354.77	9.67	-57.28
O=C([O-])C[C@H]1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300006968076	1	51	0.0	-66.30	382.47	11.14	-55.16
CC(C)C(C(=O)N1CCC[C@H](CC(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006968077	1	56	0.0	-66.77	376.84	8.86	-57.91
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@H](CC(=O)[O-])C3)=CC=C1N2	REAL300006968105	1	51	0.0	-84.92	384.17	9.89	-75.03
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@H](CC(=O)[O-])C3)=CC=C1N2	REAL300006968105	1	51	0.0	-66.71	384.01	9.88	-56.83
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)O1	REAL300006968157	0	49	0.0	-85.41	367.45	9.45	-75.96
CC1=CC=C(N2CCC(C(=O)N3CCC[C@H](CC(=O)[O-])C3)CC2)[NH+]=C1	REAL300006968158	1	52	0.0	-65.05	383.47	9.11	-55.94
C[N@H+](CC(=O)N1CCC[C@H](CC(=O)[O-])C1)CC1=CC=CC=C1	REAL300006968159	1	46	0.0	-73.36	346.99	9.89	-63.47
C[N@@H+](CC(=O)N1CCC[C@H](CC(=O)[O-])C1)CC1=CC=CC=C1	REAL300006968159	1	46	0.0	-73.60	347.05	9.88	-63.72
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC[C@H](CC(=O)[O-])C3)C=C2)CC1	REAL300006968162	0	58	0.0	-88.06	417.14	9.87	-78.19
O=C([O-])C[C@H]1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300006968173	1	41	0.0	-82.01	327.88	7.44	-74.57
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@H](CC(=O)[O-])C1	REAL300006968207	0	53	0.0	-72.70	389.69	11.54	-61.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@H](CC(=O)[O-])C1	REAL300006968207	1	53	0.0	-73.60	394.65	11.34	-62.26
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC[C@H](CC(=O)[O-])C2)C=C1	REAL300006968225	0	54	0.0	-89.50	411.83	10.82	-78.68
O=C([O-])C[C@H]1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300006968243	0	50	0.0	-86.88	372.64	9.91	-76.97
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC[C@H](CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006968274	0	52	0.0	-77.30	380.55	9.34	-67.96
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC[C@H](CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300006968274	1	52	0.0	-73.08	379.54	9.29	-63.79
O=C([O-])C[C@H]1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300006968513	0	54	0.0	-79.40	394.13	11.49	-67.91
O=C([O-])C[C@H]1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300006968513	1	54	0.0	-82.56	396.90	11.48	-71.08
O=C([O-])C[C@H]1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300006968545	1	53	0.0	-71.46	386.06	11.15	-60.31
O=C([O-])C[C@H]1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300006968545	1	53	0.0	-70.55	382.77	11.03	-59.52
C[N@@H+]1CC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006968628	0	43	0.0	-85.66	317.53	8.15	-77.51
C[N@H+]1CC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300006968628	1	43	0.0	-81.69	321.10	8.56	-73.13
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)=C1	REAL300006969060	0	49	0.0	-81.14	371.51	10.33	-70.81
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C=C1	REAL300006969066	0	50	0.0	-60.30	376.98	9.24	-51.06
O=C([O-])C[C@H]1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300006969145	0	56	0.0	-74.60	410.07	12.29	-62.31
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC[C@H](CC(=O)[O-])C3)C=C2)CCO1	REAL300006969147	1	54	0.0	-92.85	395.87	9.66	-83.19
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC[C@H](CC(=O)[O-])C3)C=C2)CCO1	REAL300006969147	1	54	0.0	-90.72	396.45	9.67	-81.05
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1	REAL300006969233	0	52	0.0	-63.13	370.91	9.91	-53.22
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1	REAL300006969233	1	52	0.0	-63.13	370.91	9.91	-53.22
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1	REAL300006969241	0	52	0.0	-70.52	344.72	8.48	-62.04
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1	REAL300006969241	1	52	0.0	-70.52	344.72	8.48	-62.04
CNS(=O)(=O)NCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006969314	0	43	0.0	-58.50	351.13	-0.85	-59.35
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)=N1	REAL300006970657	0	53	0.0	-72.76	413.85	9.85	-62.91
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)=N1	REAL300006970677	0	50	0.0	-65.74	396.67	9.32	-56.42
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@H+]3C3CC3)C2)=N1	REAL300006970677	1	50	0.0	-68.83	393.78	8.90	-59.93
CC1=[NH+]C=C2CCC(C(=O)N3CCC(CC4=NC(C)=C(C(=O)[O-])S4)C3)CN21	REAL300006970682	1	51	0.0	-69.79	413.05	9.72	-60.07
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[NH+](C)C)C2)=N1	REAL300006970729	0	42	0.0	-71.75	344.62	7.10	-64.65
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCCC[N@H+]3C)C2)=N1	REAL300006970730	0	49	0.0	-69.11	376.36	8.32	-60.79
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCCC[N@@H+]3C)C2)=N1	REAL300006970730	1	49	0.0	-68.50	384.09	8.60	-59.90
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C(C)N3CC[NH+](C)CC3)C2)=N1	REAL300006970731	1	54	0.0	-75.60	410.69	6.58	-69.02
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)=N1	REAL300006970760	0	49	0.0	-67.21	385.39	8.66	-58.55
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)=N1	REAL300006970760	1	49	0.0	-69.59	377.14	8.36	-61.23
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CC[NH+](C)CC3)C2)=N1	REAL300006970806	0	49	0.0	-75.56	389.02	8.64	-66.92
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)=N1	REAL300006970834	0	44	0.0	-84.09	379.14	10.46	-73.63
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)=N1	REAL300006970856	0	58	0.0	-74.73	416.61	10.27	-64.46
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)=N1	REAL300006970860	0	58	0.0	-73.75	443.01	10.72	-63.03
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)=N1	REAL300006970860	1	58	0.0	-73.81	443.18	10.72	-63.09
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@H+]3C)C2)=N1	REAL300006970871	0	46	0.0	-67.72	365.31	7.82	-59.90
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@@H+]3C)C2)=N1	REAL300006970871	1	46	0.0	-68.22	366.38	7.94	-60.28
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CC[NH+](C)CC3)C2)=N1	REAL300006970913	0	49	0.0	-75.56	389.02	8.64	-66.92
CC1=[NH+]C=CN1CCCC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006970949	1	50	0.0	-69.95	415.56	10.04	-59.91
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCCC[NH+]3CCOCC3)C2)=N1	REAL300006970950	1	56	0.0	-76.64	442.89	8.72	-67.92
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@H](C)[NH+](C)C)C2)=N1	REAL300006970956	0	45	0.0	-69.95	358.99	7.36	-62.59
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)=N1	REAL300006970957	0	46	0.0	-70.75	363.38	7.58	-63.17
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)=N1	REAL300006970957	1	46	0.0	-68.02	364.17	7.85	-60.17
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@@H](C)[NH+](C)C)C2)=N1	REAL300006970961	0	45	0.0	-70.67	360.70	7.41	-63.26
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3([NH+](C)C)CC3)C2)=N1	REAL300006970969	0	46	0.0	-73.31	365.05	7.79	-65.52
CCC(C(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1)[NH+](CC)CC	REAL300006971024	0	54	0.0	-65.58	405.02	9.22	-56.36
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=C(C[NH+](C)C)N=C3)C2)=N1	REAL300006971043	0	51	0.0	-90.21	412.46	8.26	-81.95
CCC[NH+](CCC)CCCC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971046	0	60	0.0	-73.16	467.18	11.35	-61.81
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3C[N@H+](C)CCO3)C2)=N1	REAL300006971047	1	47	0.0	-78.53	376.92	7.38	-71.15
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3C[N@@H+](C)CCO3)C2)=N1	REAL300006971047	1	47	0.0	-70.63	370.00	7.21	-63.42
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CN3C=C[NH+]=C3C(C)C)C2)=N1	REAL300006971056	1	50	0.0	-66.79	410.26	9.82	-56.97
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)=N1	REAL300006971065	0	49	0.0	-68.60	392.09	8.66	-59.94
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCCC[NH+](C)C)C2)=N1	REAL300006971070	0	51	0.0	-74.78	409.99	9.26	-65.52
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C(C(C)C)[NH+](C)C)C2)=N1	REAL300006971079	0	51	0.0	-68.89	388.42	8.56	-60.33
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971096	1	48	0.0	-71.87	394.00	7.68	-64.19
CCC[N@H+](C)CC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971103	0	48	0.0	-71.23	384.00	8.52	-62.71
CCC[N@@H+](C)CC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971103	1	48	0.0	-71.16	384.00	8.53	-62.63
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)=N1	REAL300006971122	0	49	0.0	-69.23	390.99	9.10	-60.13
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[N@H+](C)C3CCC3)C2)=N1	REAL300006971122	1	49	0.0	-69.15	390.89	9.09	-60.06
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C(C)[NH+]3CCSCC3)C2)=N1	REAL300006971134	1	50	0.0	-71.47	402.47	9.02	-62.45
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)=N1	REAL300006971135	0	54	0.0	-71.00	412.61	9.52	-61.48
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)=N1	REAL300006971135	1	54	0.0	-70.55	414.55	9.66	-60.89
CC[C@@H](C(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1)[NH+](C)C	REAL300006971139	0	48	0.0	-70.20	372.07	8.09	-62.11
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CC3(O)CCC[N@@H+](C)C3)C2)=N1	REAL300006971141	0	53	0.0	-70.91	411.48	7.55	-63.36
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CC3(O)CCC[N@H+](C)C3)C2)=N1	REAL300006971141	1	53	0.0	-71.97	402.36	7.39	-64.58
CCCCCC[N@H+](C)CC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971161	0	57	0.0	-72.34	448.50	10.87	-61.47
CCCCCC[N@@H+](C)CC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971161	1	57	0.0	-72.26	448.50	10.88	-61.38
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C34CCC[NH+]3CCC4)C2)=N1	REAL300006971168	0	50	0.0	-66.30	380.83	8.47	-57.83
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)=N1	REAL300006971176	1	44	0.0	-85.57	378.70	10.47	-75.10
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[N@@H+](C)C3CCSC3)C2)=N1	REAL300006971183	0	50	0.0	-76.86	404.26	9.36	-67.50
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[N@H+](C)C3CCSC3)C2)=N1	REAL300006971183	1	50	0.0	-76.29	403.86	9.36	-66.93
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)=N1	REAL300006971198	0	53	0.0	-66.77	396.64	9.19	-57.58
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCCC4CCC[N@H+]43)C2)=N1	REAL300006971198	1	53	0.0	-63.97	409.26	9.76	-54.21
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CN(CC[NH+](C)C)N=C3)C2)=N1	REAL300006971199	0	52	0.0	-87.87	422.14	8.12	-79.75
CCCC(C(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1)[NH+](C)C	REAL300006971221	0	51	0.0	-69.95	393.17	8.76	-61.19
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=NN(CC[NH+](C)C)C=C3)C2)=N1	REAL300006971230	0	52	0.0	-95.05	426.40	8.76	-86.29
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=NN3CC[NH+](C)C)C2)=N1	REAL300006971231	0	52	0.0	-68.84	418.02	8.23	-60.61
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)=N1	REAL300006971233	0	49	0.0	-75.21	379.43	8.01	-67.20
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)=N1	REAL300006971233	1	49	0.0	-74.13	385.99	8.29	-65.84
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971235	1	53	0.0	-66.73	430.55	10.34	-56.39
CC[C@@H]1[C@@H](C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)CC[N@@H+]1C	REAL300006971237	0	52	0.0	-72.57	396.71	8.63	-63.94
CC[C@@H]1[C@@H](C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)CC[N@H+]1C	REAL300006971237	1	52	0.0	-71.54	399.81	9.06	-62.48
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971239	1	48	0.0	-67.38	390.04	8.82	-58.56
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971239	1	48	0.0	-68.29	391.98	9.18	-59.11
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3C[N@@H+](C)CC(C)O3)C2)=N1	REAL300006971243	1	50	0.0	-80.21	391.08	8.09	-72.12
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3C[N@H+](C)CC(C)O3)C2)=N1	REAL300006971243	1	50	0.0	-90.25	397.94	8.09	-82.16
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[NH+]3CCCC3)C2)=N1	REAL300006971249	0	46	0.0	-70.21	368.94	8.21	-62.00
CC1=[NH+]C=CN1CC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971251	1	44	0.0	-68.08	374.00	8.70	-59.38
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C(C)C[NH+]3CCOCC3)C2)=N1	REAL300006971253	0	53	0.0	-74.10	412.20	7.60	-66.50
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)=N1	REAL300006971272	0	52	0.0	-71.12	407.17	9.58	-61.54
CC[N@@H+]1CCOC(C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)C1	REAL300006971281	1	50	0.0	-76.63	394.97	8.05	-68.58
CC[N@H+]1CCOC(C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)C1	REAL300006971281	1	50	0.0	-87.02	394.97	7.99	-79.03
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCC3CCC[N@H+]3C)C2)=N1	REAL300006971307	0	52	0.0	-73.25	412.16	9.62	-63.63
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCC3CCC[N@@H+]3C)C2)=N1	REAL300006971307	1	52	0.0	-71.72	406.69	9.16	-62.56
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)=N1	REAL300006971315	0	53	0.0	-73.31	390.87	8.76	-64.55
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3(C)CC(O)C[N@H+]3C)C2)=N1	REAL300006971317	0	50	0.0	-69.30	385.56	4.63	-64.67
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3(C)CC(O)C[N@@H+]3C)C2)=N1	REAL300006971317	1	50	0.0	-70.13	385.41	4.61	-65.52
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)=N1	REAL300006971318	0	53	0.0	-65.74	408.35	9.88	-55.86
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC4CCCC[N@H+]43)C2)=N1	REAL300006971318	1	53	0.0	-66.92	404.42	9.53	-57.39
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)=N1	REAL300006971322	0	56	0.0	-72.65	413.64	7.61	-65.04
CC[NH+](CC)CC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971333	0	48	0.0	-69.15	380.68	8.46	-60.69
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)=N1	REAL300006971335	0	55	0.0	-72.13	419.03	9.58	-62.55
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C34CC[NH+](CC3)C4)C2)=N1	REAL300006971402	0	47	0.0	-73.58	367.06	7.17	-66.41
CCC(C(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1)[NH+](C)C	REAL300006971405	0	48	0.0	-70.64	374.39	8.16	-62.48
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C34CC[N@H+](C3)CCC4)C2)=N1	REAL300006971412	0	50	0.0	-77.46	376.91	7.91	-69.55
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)=N1	REAL300006971412	1	50	0.0	-75.48	376.01	7.90	-67.58
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[NH+]3C(C)CCC3C)C2)=N1	REAL300006971444	0	52	0.0	-67.50	401.77	9.12	-58.38
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=CC(C[NH+](C)C)=C3)C2)=N1	REAL300006971445	0	52	0.0	-96.09	420.82	10.22	-85.87
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3([NH+](C)C)CCC3)C2)=N1	REAL300006971472	0	49	0.0	-73.22	371.53	8.09	-65.13
C#CC[NH+]1CCC(C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)CC1	REAL300006971489	0	51	0.0	-76.76	413.68	9.80	-66.96
CCC[N@@H+]1CCCCC1C(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971490	0	55	0.0	-70.46	416.37	9.76	-60.70
CCC[N@H+]1CCCCC1C(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300006971490	1	55	0.0	-69.55	416.11	9.73	-59.82
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=CC=C3C[NH+](C)C)C2)=N1	REAL300006971491	0	52	0.0	-72.35	416.68	10.18	-62.17
CC[NH+]1CCN(CCC(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)CC1	REAL300006971492	0	57	0.0	-73.75	443.38	7.79	-65.96
CCN1CC[NH+](CCC(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)CC1	REAL300006971492	1	57	0.0	-73.80	443.21	7.78	-66.02
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[N@@H+](C)C(C)C)C2)=N1	REAL300006971493	0	48	0.0	-68.96	379.19	8.31	-60.65
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[N@H+](C)C(C)C)C2)=N1	REAL300006971493	1	48	0.0	-68.92	379.01	8.31	-60.61
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C(C(C)C)[NH+]3CCCCC3)C2)=N1	REAL300006971494	0	58	0.0	-67.76	430.03	10.72	-57.04
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C(C3=CC=CC=C3)[NH+](C)C)C2)=N1	REAL300006971495	1	52	0.0	-69.67	412.34	10.29	-59.38
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCN3C=C[NH+]=C3C(C)C)C2)=N1	REAL300006971499	1	53	0.0	-66.70	430.06	10.29	-56.41
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)=N1	REAL300006971504	0	56	0.0	-69.20	418.55	10.68	-58.52
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)=N1	REAL300006971504	1	56	0.0	-67.88	428.71	10.40	-57.48
CC[N@H+](CC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1)C1CC1	REAL300006971506	0	49	0.0	-69.30	386.02	9.00	-60.30
CC[N@@H+](CC(=O)N1CCC(CC2=NC(C)=C(C(=O)[O-])S2)C1)C1CC1	REAL300006971506	1	49	0.0	-68.19	390.67	9.11	-59.08
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C(C)[NH+]3CCCCCC3)C2)=N1	REAL300006971521	0	55	0.0	-66.69	412.38	9.43	-57.26
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)=N1	REAL300006971524	0	46	0.0	-67.54	366.27	7.84	-59.70
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)=N1	REAL300006971524	1	46	0.0	-68.80	363.40	7.58	-61.22
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[NH2+]C(C)(C)C)C2)=N1	REAL300006971570	0	48	0.0	-70.35	383.55	6.82	-63.53
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCCC[NH+]3CCCC3)C2)=N1	REAL300006971571	0	55	0.0	-73.62	434.31	10.33	-63.29
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[N@@H+](C)CC3=CC=CC=C3)C2)=N1	REAL300006971573	1	52	0.0	-75.10	421.43	10.71	-64.39
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[N@H+](C)CC3=CC=CC=C3)C2)=N1	REAL300006971573	1	52	0.0	-75.08	421.30	10.70	-64.38
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)=N1	REAL300006971580	0	51	0.0	-70.20	387.64	8.92	-61.28
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)=N1	REAL300006971593	1	47	0.0	-85.82	397.83	8.11	-77.71
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=NOC(C[NH+](C)C)=C3)C2)=N1	REAL300006971605	1	48	0.0	-86.14	400.42	8.24	-77.90
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@H+]3C(C)C)C2)=N1	REAL300006971614	0	52	0.0	-66.54	399.67	9.02	-57.52
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@@H+]3C(C)C)C2)=N1	REAL300006971614	1	52	0.0	-68.29	394.59	9.48	-58.81
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)COC3CC[NH+](C)CC3)C2)=N1	REAL300006971629	0	53	0.0	-78.24	424.54	9.26	-68.98
CCC[N@@H+]1CCCC(C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)C1	REAL300006971741	0	55	0.0	-72.04	417.25	9.89	-62.15
CCC[N@H+]1CCCC(C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)C1	REAL300006971741	1	55	0.0	-77.51	426.69	9.96	-67.55
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@H+]3CC(C)C)C2)=N1	REAL300006971759	0	55	0.0	-67.98	424.75	10.06	-57.92
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@@H+]3CC(C)C)C2)=N1	REAL300006971759	1	55	0.0	-68.43	415.36	10.27	-58.16
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C[NH+]3CCC(CO)CC3)C2)=N1	REAL300006971760	0	53	0.0	-72.37	418.35	6.28	-66.09
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@@H+](C(C)C)C3)C2)=N1	REAL300006971908	0	55	0.0	-69.27	422.69	9.75	-59.52
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@H+](C(C)C)C3)C2)=N1	REAL300006971908	1	55	0.0	-65.62	414.13	9.92	-55.70
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCC3=[NH+]C(C)=C(C)N3)C2)=N1	REAL300006971927	1	50	0.0	-67.27	414.86	8.42	-58.85
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@H]3C[C@H]([NH+](C)C)C3)C2)=N1	REAL300006972309	0	49	0.0	-72.00	394.46	8.83	-63.17
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)[C@H]3CC[C@@H]([NH+](C)C)CC3)C2)=N1	REAL300006972313	0	55	0.0	-74.14	412.31	9.51	-64.63
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@@H+](CC(C)C)C3)C2)=N1	REAL300006972354	0	58	0.0	-71.04	444.30	10.64	-60.40
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@H+](CC(C)C)C3)C2)=N1	REAL300006972354	1	58	0.0	-71.04	444.30	10.64	-60.40
CC[N@@H+]1CCCC(C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)C1	REAL300006972355	0	52	0.0	-65.92	395.82	9.36	-56.56
CC[N@H+]1CCCC(C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)C1	REAL300006972355	1	52	0.0	-65.92	395.82	9.36	-56.56
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@@H+](C)C3)C2)=N1	REAL300006972360	0	49	0.0	-70.02	378.18	8.64	-61.38
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3CCC[N@H+](C)C3)C2)=N1	REAL300006972360	1	49	0.0	-70.02	378.18	8.64	-61.38
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=C(CN(C)C)O3)C2)=N1	REAL300006972362	0	49	0.0	-91.14	405.61	8.85	-82.29
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CC(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300006981204	0	47	0.0	-51.73	368.32	9.51	-42.22
CC(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300006981204	1	47	0.0	-50.84	368.28	9.52	-41.32
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300006981214	0	54	0.0	-68.44	411.89	11.76	-56.68
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300006981214	1	54	0.0	-69.92	410.57	11.66	-58.26
C[NH+](C)CC1=CC=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C=N1	REAL300006981245	0	43	0.0	-74.92	348.54	7.09	-67.83
CCC[NH+](CCC)CCCC(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981256	0	52	0.0	-71.03	397.13	9.66	-61.37
O=C([O-])[C@@H]1CC12CC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C2	REAL300006981257	1	52	0.0	-65.54	403.43	7.38	-58.16
CC[N@H+](C)C(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)C1=CC=CC=C1	REAL300006981258	0	47	0.0	-50.43	365.91	9.67	-40.76
CC[N@@H+](C)C(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)C1=CC=CC=C1	REAL300006981258	1	47	0.0	-50.77	365.91	9.64	-41.13
CC[NH+](CC)C(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)C1=CC=CC=C1	REAL300006981263	0	50	0.0	-63.95	374.84	9.64	-54.31
C[NH+](C)C(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300006981269	1	44	0.0	-69.98	366.03	9.46	-60.52
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300006981283	0	48	0.0	-80.16	378.46	10.09	-70.07
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300006981290	0	51	0.0	-73.13	394.34	10.78	-62.35
CCN1CCC([NH+]2CCC(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)CC2)CC1	REAL300006981296	0	59	0.0	-72.97	428.35	8.27	-64.70
CC1C[NH+](CC2=CC=C(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)C=C2)CC(C)O1	REAL300006981303	1	55	0.0	-82.89	429.51	9.94	-72.95
O=C([O-])[C@@H]1CC12CC(NC(=O)CC1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006981312	1	52	0.0	-77.57	408.84	9.99	-67.58
O=C([O-])[C@@H]1CC12CC(NC(=O)CC1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006981312	1	52	0.0	-85.96	397.11	9.43	-76.53
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300006981327	0	51	0.0	-71.41	391.85	10.56	-60.85
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300006981327	1	51	0.0	-64.12	393.22	10.61	-53.51
CC1=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300006981329	1	42	0.0	-78.75	348.71	7.30	-71.45
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300006981337	0	51	0.0	-80.25	395.77	10.85	-69.40
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300006981348	1	44	0.0	-77.85	359.74	7.67	-70.18
C[NH+](C)CCC1=CC=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C=C1	REAL300006981349	0	47	0.0	-82.87	376.71	9.84	-73.03
O=C([O-])[C@@H]1CC12CC(NC(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006981357	1	49	0.0	-77.73	390.08	9.56	-68.17
O=C([O-])[C@@H]1CC12CC(NC(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300006981357	1	49	0.0	-67.39	380.15	9.31	-58.08
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981363	0	58	0.0	-68.77	440.29	12.31	-56.46
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981363	1	58	0.0	-66.12	433.54	12.29	-53.83
CC(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300006981372	0	57	0.0	-54.09	424.17	11.92	-42.17
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981406	0	47	0.0	-56.56	372.54	9.94	-46.62
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981406	1	47	0.0	-72.31	373.71	9.88	-62.43
COCCOCC[N@H+](C)CCC(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981407	0	51	0.0	-71.24	402.76	6.06	-65.18
COCCOCC[N@@H+](C)CCC(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981407	1	51	0.0	-72.41	402.75	6.07	-66.34
O=C([O-])[C@@H]1CC12CC(NC(=O)CCC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300006981417	0	56	0.0	-76.26	428.37	9.55	-66.71
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C2	REAL300006981418	1	50	0.0	-69.92	378.86	8.70	-61.22
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C2	REAL300006981418	1	50	0.0	-77.75	386.82	8.82	-68.93
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C2	REAL300006981419	1	50	0.0	-52.92	386.62	8.78	-44.14
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C2	REAL300006981419	1	50	0.0	-68.99	380.07	8.76	-60.23
CC(C)[NH+]1CCN(CCC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)CC1	REAL300006981453	0	52	0.0	-72.23	391.30	6.71	-65.52
CC(C)N1CC[NH+](CCC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)CC1	REAL300006981453	1	52	0.0	-71.09	389.24	6.63	-64.46
CC(C)[NH+]1CCN(CCCC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)CC1	REAL300006981454	0	55	0.0	-69.13	411.42	7.43	-61.70
CC(C)N1CC[NH+](CCCC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)CC1	REAL300006981454	1	55	0.0	-71.97	410.73	7.41	-64.56
C[NH+](C)CCN1C=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C=N1	REAL300006981456	0	44	0.0	-78.73	358.88	6.95	-71.78
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)CC2)=C1	REAL300006981461	0	56	0.0	-75.36	428.27	9.42	-65.94
O=C([O-])[C@@H]1CC12CC(NC(=O)CC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300006981463	0	53	0.0	-75.37	406.87	8.75	-66.62
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300006981467	0	50	0.0	-78.50	382.98	9.03	-69.47
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300006981467	1	50	0.0	-74.38	382.93	8.94	-65.44
CC(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300006981472	1	48	0.0	-73.97	368.65	9.92	-64.05
CC(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300006981472	1	48	0.0	-74.26	371.55	9.76	-64.50
CCC(CC)C(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)[NH+]1CCOCC1	REAL300006981487	1	54	0.0	-64.13	382.85	8.31	-55.82
O=C([O-])[C@@H]1CC12CC(NC(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006981500	0	51	0.0	-75.17	399.47	10.68	-64.49
O=C([O-])[C@@H]1CC12CC(NC(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006981500	1	51	0.0	-75.23	400.14	10.67	-64.56
C[NH+](C)CCN1C=CC(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)=N1	REAL300006981512	0	44	0.0	-79.34	359.29	6.96	-72.38
C[NH+](C)CCN1N=CC=C1C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981513	0	44	0.0	-67.73	354.65	6.90	-60.83
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981518	1	45	0.0	-67.17	361.90	8.74	-58.43
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300006981532	0	51	0.0	-78.86	394.50	10.86	-68.00
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300006981532	1	51	0.0	-73.49	394.47	10.86	-62.63
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C2	REAL300006981533	1	47	0.0	-74.47	367.81	7.92	-66.55
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C2	REAL300006981533	1	47	0.0	-69.64	366.78	7.70	-61.94
O=C([O-])[C@@H]1CC12CC(NC(=O)CC[NH+]1CCN(C3=CC=CC=N3)CC1)C2	REAL300006981537	0	52	0.0	-75.21	405.10	8.20	-67.01
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)CC1	REAL300006981578	1	51	0.0	-79.93	398.34	9.04	-70.89
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300006981579	0	51	0.0	-69.12	379.24	9.34	-59.78
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300006981579	1	51	0.0	-54.15	378.90	9.45	-44.70
O=C([O-])[C@@H]1CC12CC(NC(=O)C1C[N@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300006981599	0	56	0.0	-77.57	428.33	9.44	-68.13
O=C([O-])[C@@H]1CC12CC(NC(=O)C1C[N@@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300006981599	1	56	0.0	-81.21	428.65	9.37	-71.84
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981606	0	48	0.0	-69.54	357.68	6.68	-62.86
CC(C)[N@@H+]1CCC(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006981609	0	57	0.0	-77.31	432.75	9.49	-67.82
CC(C)[N@H+]1CCC(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300006981609	1	57	0.0	-86.26	424.38	8.88	-77.38
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C=N1	REAL300006981610	0	51	0.0	-92.02	389.62	7.78	-84.24
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C=N1	REAL300006981610	1	51	0.0	-86.14	398.49	8.32	-77.82
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)=C2)CC1	REAL300006981616	0	53	0.0	-70.51	410.50	8.18	-62.33
C[NH+]1CCN(CC2=CC=C(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)C=C2)CC1	REAL300006981617	0	53	0.0	-79.09	412.83	8.42	-70.67
CN1CC[NH+](CC2=CC=C(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)C=C2)CC1	REAL300006981617	1	53	0.0	-81.14	412.30	8.29	-72.85
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C=C1	REAL300006981618	0	54	0.0	-78.21	415.39	9.86	-68.35
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC=C(C[NH+]3CCC(CO)CC3)C=C1)C2	REAL300006981713	0	55	0.0	-83.86	427.46	8.15	-75.71
C[NH+](C)CC1=CC=CC(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)=C1	REAL300006981717	0	44	0.0	-74.38	352.77	8.93	-65.45
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006981718	0	51	0.0	-76.32	394.31	10.60	-65.72
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006981718	1	51	0.0	-70.09	395.69	10.64	-59.45
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981774	0	44	0.0	-62.86	345.44	9.17	-53.69
CC[NH+]1CCN(CCC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)CC1	REAL300006981776	0	49	0.0	-73.99	374.06	6.16	-67.83
CCN1CC[NH+](CCC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)CC1	REAL300006981776	1	49	0.0	-70.99	372.02	5.98	-65.01
CC(C)C(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)[NH+]1CCCCC1	REAL300006981779	0	50	0.0	-63.61	362.67	9.75	-53.86
C[NH+](C)C(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)C1=CC=CC=C1	REAL300006981780	1	44	0.0	-67.18	349.25	8.95	-58.23
O=C([O-])[C@@H]1CC12CC(NC(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300006981784	0	49	0.0	-76.16	386.10	6.81	-69.35
O=C([O-])[C@@H]1CC12CC(NC(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300006981784	1	49	0.0	-71.25	389.38	6.97	-64.28
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006981789	1	45	0.0	-65.51	361.49	8.67	-56.84
C[NH+](C)CC1=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)OC2=CC=CC=C21	REAL300006981790	0	47	0.0	-67.54	373.90	9.27	-58.27
CC[NH+](CC)C(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300006981792	0	53	0.0	-66.71	415.02	10.69	-56.02
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300006981795	0	48	0.0	-65.16	360.51	8.83	-56.33
O=C([O-])[C@@H]1CC12CC(NC(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300006981795	1	48	0.0	-71.45	357.92	8.96	-62.49
O=C([O-])[C@@H]1CC12CC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1)C2	REAL300006981816	1	49	0.0	-64.18	390.21	10.49	-53.69
CC(C)C(C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300006981817	1	54	0.0	-64.27	398.76	8.51	-55.76
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)=CC=C1N2	REAL300006981843	1	49	0.0	-78.96	387.54	9.36	-69.60
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)=CC=C1N2	REAL300006981843	1	49	0.0	-78.74	387.75	9.35	-69.39
CC[NH+](CC)CC1=CC=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)O1	REAL300006981895	0	47	0.0	-59.10	373.79	8.68	-50.42
CC1=CC=C(N2CCC(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)CC2)[NH+]=C1	REAL300006981896	1	50	0.0	-67.51	388.39	8.36	-59.15
C[N@H+](CC(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006981897	1	44	0.0	-76.44	351.21	9.05	-67.39
C[N@@H+](CC(=O)NC1CC2(C[C@H]2C(=O)[O-])C1)CC1=CC=CC=C1	REAL300006981897	1	44	0.0	-72.03	351.26	9.04	-62.99
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)C=C2)CC1	REAL300006981900	0	56	0.0	-79.21	418.28	9.12	-70.09
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300006981910	1	39	0.0	-77.89	333.87	6.89	-71.00
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O=C([O-])C1(C2=CC=CC(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)=C2)CCC1	REAL300006989569	1	49	0.0	-64.23	370.26	10.49	-53.74
O=C([O-])C1(C2=CC=CC(NC(=O)C34CC(C3)C[N@H+]4C3CC3)=C2)CCC1	REAL300006989569	1	49	0.0	-80.68	370.02	10.97	-69.71
O=C([O-])C1CCCN(CC(=O)NC2=CC=CN=C2OC(F)F)C1	REAL300006989635	0	40	0.0	-51.93	321.19	4.41	-47.52
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CN=C2OC(F)F)C1	REAL300006989635	1	40	0.0	-51.96	321.23	4.88	-47.08
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CN=C2OC(F)F)C1	REAL300006989635	1	40	0.0	-51.93	321.19	4.41	-47.52
CN1C(C2CC2)=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(=O)N1C1=CC=CC=C1	REAL300006989764	1	55	0.0	-59.79	425.16	10.31	-49.48
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=NC=C1Br	REAL300006989872	1	45	0.0	-51.92	366.96	7.52	-44.40
C[C@@H](CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC(F)(F)F	REAL300006989958	1	42	0.0	-50.29	331.38	6.92	-43.37
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300006989990	1	47	0.0	-77.13	367.43	11.01	-66.12
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)CC2)C=C1	REAL300006989991	1	51	0.0	-83.57	398.33	11.23	-72.34
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300006989992	1	47	0.0	-82.12	369.71	11.07	-71.05
CC1=CC=C(C[NH+]2CCN(C(=O)CCC3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300006989996	1	53	0.0	-82.51	415.54	12.91	-69.60
CC1=CC=C(C[NH+]2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300006989998	1	51	0.0	-83.28	402.92	12.59	-70.69
CC1=CC=C(C[NH+]2CCN(C(=O)CCC3=CC=CC=C3C(=O)[O-])CC2)C=C1	REAL300006990002	1	53	0.0	-73.41	406.59	12.64	-60.77
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC(C)=C(OCC(=O)[O-])C(C)=C3)CC2)C=C1	REAL300006990003	1	57	0.0	-79.49	444.78	12.90	-66.59
CC1=CC=C(C[NH+]2CCN(C(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300006990004	1	50	0.0	-89.11	394.14	12.09	-77.02
CC1=CC=C(C[NH+]2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)C=C1	REAL300006990005	1	44	0.0	-67.43	343.49	9.54	-57.89
CC1=CC=C(C[NH+]2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)C=C1	REAL300006990006	1	44	0.0	-67.43	343.49	9.54	-57.89
CC1=CC=C(C[NH+]2CCN(C(=O)C3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300006990007	1	53	0.0	-85.11	393.89	11.47	-73.64
CC1=CC=C(C[NH+]2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)C=C1	REAL300006990010	1	52	0.0	-76.55	378.63	10.85	-65.70
CC1=CC=C(C[NH+]2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)C=C1	REAL300006990013	1	53	0.0	-77.01	394.01	11.44	-65.57
CC1=CC=C(C[NH+]2CCN(C(=O)C3CCC(C(=O)[O-])CC3)CC2)C=C1	REAL300006990014	1	53	0.0	-78.02	394.52	11.45	-66.57
CC1=CC=C(C[NH+]2CCN(C(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300006990015	1	50	0.0	-90.59	394.14	12.10	-78.49
CC1=CC=C(C[NH+]2CCN(C(=O)CN3C=C(C(=O)[O-])N=N3)CC2)C=C1	REAL300006990016	1	46	0.0	-92.06	371.32	8.02	-84.04
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300006990018	1	47	0.0	-77.13	367.43	11.01	-66.12
CC1=CC=C(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300006990019	1	50	0.0	-85.02	374.41	10.80	-74.22
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2)C=C1	REAL300006990020	1	50	0.0	-83.64	389.63	11.78	-71.86
CC1=CC=C(C[NH+]2CCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2)C=C1	REAL300006990024	1	48	0.0	-76.29	367.56	10.75	-65.54
CC1=CC=C(C[NH+]2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)C=C1	REAL300006990025	1	47	0.0	-57.29	350.52	9.95	-47.34
CC1=CC=C(C[NH+]2CCN(C(=O)C(C)(C)C(=O)[O-])CC2)C=C1	REAL300006990026	1	46	0.0	-49.75	339.36	9.25	-40.50
CC1=CC=C(C[NH+]2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)CC2)C=C1	REAL300006990027	1	56	0.0	-73.57	405.94	12.09	-61.48
CC1=CC=C(C[NH+]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)CC2)C=C1	REAL300006990028	1	54	0.0	-90.33	395.31	11.42	-78.91
CC1=CC=C(C[NH+]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)C=C1	REAL300006990029	1	57	0.0	-81.74	404.21	11.67	-70.07
CC1=CC=C(C[NH+]2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)C=C1	REAL300006990030	1	52	0.0	-76.55	378.63	10.85	-65.70
CC1=CC=C(C[NH+]2CCN(C(=O)CCCC(=O)[O-])CC2)C=C1	REAL300006990031	1	46	0.0	-79.58	356.28	10.03	-69.55
CC1=CC=C(C[NH+]2CCN(C(=O)CC(C)CC(=O)[O-])CC2)C=C1	REAL300006990032	1	49	0.0	-78.88	368.88	10.48	-68.40
CC1=CC=C(C[NH+]2CCN(C(=O)C3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300006990036	1	50	0.0	-60.95	364.74	10.46	-50.49
CC1=CC=C(C[NH+]2CCN(C(=O)CN3C=C(C(=O)[O-])C=N3)CC2)C=C1	REAL300006990039	1	47	0.0	-87.39	376.19	9.51	-77.88
CC1=CC=C(C[NH+]2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)C=C1	REAL300006990041	1	54	0.0	-56.16	394.71	11.67	-44.49
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)CC2)C=C1	REAL300006990042	1	51	0.0	-77.66	398.43	11.30	-66.36
CC1=CC=C(C[NH+]2CCN(C(=O)CCSCC(=O)[O-])CC2)C=C1	REAL300006990043	1	47	0.0	-75.00	379.31	10.61	-64.39
CC1=CC=C(C[NH+]2CCN(C(=O)COCC(=O)[O-])CC2)C=C1	REAL300006990045	1	44	0.0	-81.83	348.40	9.30	-72.53
CC1=CC=C(C[NH+]2CCN(C(=O)C(C)(C)CCC(=O)[O-])CC2)C=C1	REAL300006990048	1	52	0.0	-83.49	378.61	10.38	-73.11
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2)C=C1	REAL300006990049	1	50	0.0	-76.71	389.59	11.79	-64.92
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])C=C3)CC2)C=C1	REAL300006990050	1	51	0.0	-82.12	400.67	12.28	-69.84
CC1=CC=C(C[NH+]2CCN(C(=O)C=CC3=CC(C(=O)[O-])=CO3)CC2)C=C1	REAL300006990051	1	48	0.0	-79.51	387.44	10.83	-68.68
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=CC=C3CCC(=O)[O-])CC2)C=C1	REAL300006990052	1	53	0.0	-70.72	408.22	12.51	-58.21
CC1=CC=C(C[NH+]2CCN(C(=O)COCC3=C(C(=O)[O-])N=CO3)CC2)C=C1	REAL300006990053	1	50	0.0	-84.73	402.24	7.19	-77.54
CC1=CC=C(C[NH+]2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])O3)CC2)C=C1	REAL300006990054	1	48	0.0	-71.05	389.00	11.18	-59.87
CC1=CC=C(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300006990055	1	50	0.0	-85.02	374.41	10.80	-74.22
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CC2)C=C1	REAL300006990056	1	50	0.0	-84.70	382.74	11.53	-73.17
CC1=CC=C(C[NH+]2CCN(C(=O)CN3C=CC(C(=O)[O-])=N3)CC2)C=C1	REAL300006990059	1	47	0.0	-99.72	375.57	9.55	-90.17
CC1=CC=C(C[NH+]2CCN(C(=O)CCCN3C=CC(C(=O)[O-])=N3)CC2)C=C1	REAL300006990060	1	53	0.0	-99.02	419.16	10.96	-88.06
CC1=CC=C(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C=C1	REAL300006990061	1	47	0.0	-77.91	354.99	10.47	-67.44
CC1=CC=C(C[NH+]2CCN(C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)CC2)C=C1	REAL300006990063	1	54	0.0	-77.86	411.65	10.24	-67.62
CC1=CC=C(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C=C1	REAL300006990064	1	47	0.0	-77.91	354.99	10.47	-67.44
CC1=CC=C(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C=C1	REAL300006990065	1	44	0.0	-82.38	342.35	10.33	-72.05
CC1=CC=C(C[NH+]2CCN(C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])CC2)C=C1	REAL300006990067	1	55	0.0	-61.78	392.48	12.52	-49.26
CCC(C(=O)[O-])C(=O)N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300006990068	1	46	0.0	-51.99	349.73	9.65	-42.34
CC1=CC=C(C[NH+]2CCN(C(=O)C(C(=O)[O-])C(C)C)CC2)C=C1	REAL300006990069	1	49	0.0	-48.33	358.04	10.11	-38.22
CC1=CC=C(C[NH+]2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)C=C1	REAL300006990070	1	53	0.0	-70.48	381.31	11.77	-58.71
CC1=CC=C(CN2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300006990071	0	55	0.0	-46.93	409.06	9.38	-37.55
CC1=CC=C(CN2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300006990071	1	55	0.0	-43.97	401.62	8.96	-35.01
CC1=CC=C(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C=C1	REAL300006990072	1	44	0.0	-72.20	344.78	9.84	-62.36
CC1=CC=C(C[NH+]2CCN(C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)CC2)C=C1	REAL300006990073	1	54	0.0	-63.96	410.91	12.79	-51.17
CC1=CC=C(C[NH+]2CCN(C(=O)CN3C=C(C(=O)[O-])C4=CC=CC=C43)CC2)C=C1	REAL300006990075	1	54	0.0	-100.67	427.49	13.49	-87.18
CC1=CC=C(C[NH+]2CCN(C(=O)C3CC4(CC4C(=O)[O-])C3)CC2)C=C1	REAL300006990076	1	51	0.0	-89.41	392.04	11.70	-77.71
CC1=CC=C(C[NH+]2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300006990077	1	47	0.0	-77.55	360.56	10.36	-67.19
CC1=CC=C(C[NH+]2CCN(C(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)CC2)C=C1	REAL300006990078	1	53	0.0	-84.34	398.09	12.45	-71.89
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC(C(=O)[O-])=CC=C3C)CC2)C=C1	REAL300006990079	1	50	0.0	-70.60	387.27	11.69	-58.91
CC1=CC=C(C[NH+]2CCN(C(=O)C3CC(C)(C(=O)[O-])C3)CC2)C=C1	REAL300006990080	1	50	0.0	-68.98	377.61	10.77	-58.21
CCCC(C(=O)[O-])C(=O)N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300006990084	1	49	0.0	-52.05	371.21	10.43	-41.62
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3C)CC2)C=C1	REAL300006990085	1	50	0.0	-77.32	387.23	11.71	-65.61
CC1=CC=C(C[NH+]2CCN(C(=O)C3CC4(CC(C(=O)[O-])C4)C3)CC2)C=C1	REAL300006990087	1	54	0.0	-81.23	409.29	12.20	-69.03
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=C(C(=O)[O-])N3C)CC2)C=C1	REAL300006990089	1	48	0.0	-77.41	368.47	10.29	-67.12
CC1=CC=C(C[NH+]2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)C=C1	REAL300006990090	1	48	0.0	-60.40	357.90	10.37	-50.03
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)CC2)C=C1	REAL300006990091	1	53	0.0	-77.73	410.99	12.60	-65.13
CC1=CC=C(C[NH+]2CCN(C(=O)CC3(CC(=O)[O-])CC3)CC2)C=C1	REAL300006990093	1	50	0.0	-64.32	383.38	11.17	-53.15
CC1=CC=C(C[NH+]2CCN(C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)CC2)C=C1	REAL300006990094	1	51	0.0	-85.44	402.46	11.84	-73.60
COC(C(=O)[O-])C(=O)N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300006990096	1	44	0.0	-61.58	339.61	8.73	-52.85
CC1=CC=C(C[NH+]2CCN(C(=O)[C@@]3(C)C[C@H]3C(=O)[O-])CC2)C=C1	REAL300006990097	1	47	0.0	-81.19	361.45	10.14	-71.05
CC1=CC=C(C[NH+]2CCN(C(=O)CCC3=CC=CN=C3C(=O)[O-])CC2)C=C1	REAL300006990101	1	52	0.0	-79.44	403.03	10.88	-68.56
CC1=CC=C(C[NH+]2CCN(C(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300006990103	1	51	0.0	-82.83	402.97	12.59	-70.24
CC1=CC=C(C[NH+]2CCN(C(=O)C3(C(=O)[O-])CC3C)CC2)C=C1	REAL300006990104	1	47	0.0	-59.87	359.10	10.18	-49.69
CC1=CC=C(C[NH+]2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)C=C1	REAL300006990105	1	54	0.0	-56.16	394.71	11.67	-44.49
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=CC(C(=O)[O-])=C3C)CC2)C=C1	REAL300006990110	1	50	0.0	-78.43	382.48	11.60	-66.83
CC1=CC=C(C[NH+]2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)CC2)C=C1	REAL300006990111	1	50	0.0	-83.72	398.69	10.82	-72.90
C=C1CCC1(C(=O)[O-])C(=O)N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300006990112	1	48	0.0	-60.64	366.28	10.49	-50.15
CC1=CC=C(C[NH+]2CCN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CC2)C=C1	REAL300006990114	1	52	0.0	-75.44	388.83	9.73	-65.71
CC1=CC=C(C[NH+]2CCN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CC2)C=C1	REAL300006990115	1	53	0.0	-81.53	408.18	13.12	-68.41
CC1=CC=C(C[NH+]2CCN(C(=O)[C@@]3(C(C)C)C[C@H]3C(=O)[O-])CC2)C=C1	REAL300006990116	1	53	0.0	-64.78	393.36	11.05	-53.73
CC1=CC=C(C[NH+]2CCN(C(=O)CC3=CC=C(C(=O)[O-])C=C3C)CC2)C=C1	REAL300006990117	1	53	0.0	-92.50	410.59	12.52	-79.98
CC1=CC=C(C[NH+]2CCN(C(=O)CC3=CC(C(=O)[O-])=CS3)CC2)C=C1	REAL300006990118	1	47	0.0	-85.12	385.69	11.24	-73.88
CC1=CC=C(C[NH+]2CCN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)CC2)C=C1	REAL300006990119	1	50	0.0	-94.06	398.68	12.12	-81.94
CC1=CC=C(C[NH+]2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)CC2)C=C1	REAL300006990120	1	50	0.0	-74.53	375.34	10.91	-63.62
CC1=CC=C(C[NH+]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)C=C1	REAL300006990122	1	57	0.0	-81.74	404.21	11.67	-70.07
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCCC3=CC=CC=C3C2)C1	REAL300006990202	0	53	0.0	-43.91	369.15	10.71	-33.20
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCCC3=CC=CC=C3C2)C1	REAL300006990202	1	53	0.0	-47.79	370.34	11.15	-36.64
O=C([O-])C1=CC=C(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990268	1	48	0.0	-70.52	333.08	7.58	-62.94
O=C([O-])COC1=CC=CC(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)=C1	REAL300006990269	1	52	0.0	-67.06	384.18	8.65	-58.41
O=C([O-])C1=CC=CC(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)=C1	REAL300006990270	1	48	0.0	-88.29	341.19	7.98	-80.31
CC(SC1=CC=CC=C1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300006990273	1	55	0.0	-83.47	389.95	9.48	-73.99
O=C([O-])C1=CC=C(CCC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990274	1	54	0.0	-75.45	399.85	10.28	-65.17
O=C([O-])C1=CC(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)=CC=N1	REAL300006990275	1	47	0.0	-88.25	329.31	5.78	-82.47
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990276	1	52	0.0	-80.71	381.97	9.67	-71.04
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990281	1	54	0.0	-66.84	390.96	9.97	-56.87
CC1=CC(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300006990282	1	58	0.0	-73.47	428.17	10.22	-63.25
O=C([O-])C1=CC=CC(CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)=C1	REAL300006990283	1	51	0.0	-77.18	378.35	9.39	-67.79
O=C([O-])C1CCCC(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C1	REAL300006990284	1	54	0.0	-73.75	365.13	8.23	-65.52
CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990287	1	53	0.0	-67.65	362.93	8.22	-59.43
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CC1	REAL300006990290	1	54	0.0	-69.83	373.94	8.64	-61.19
O=C([O-])C1CCC(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CC1	REAL300006990291	1	54	0.0	-70.21	374.18	8.66	-61.55
O=C([O-])C1=CC=C(CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990292	1	51	0.0	-78.47	378.45	9.46	-69.01
O=C([O-])C1=CN(CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)N=N1	REAL300006990293	1	47	0.0	-79.21	355.50	5.34	-73.87
O=C([O-])C1=CC=C(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990295	1	48	0.0	-70.52	333.08	7.58	-62.94
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C1	REAL300006990296	1	51	0.0	-72.96	357.61	8.11	-64.85
O=C([O-])CC1=CC=CC(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)=C1	REAL300006990297	1	51	0.0	-71.88	375.27	9.14	-62.74
O=C([O-])C12CC(C(=O)N3CCCC[C@H]([NH+]4CCOCC4)C3)(C1)C2	REAL300006990301	1	49	0.0	-68.82	348.54	7.81	-61.01
O=C([O-])C1(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CCC1	REAL300006990302	1	48	0.0	-56.86	333.63	7.26	-49.60
O=C([O-])C1CCC(CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CC1	REAL300006990303	1	57	0.0	-66.82	391.43	9.52	-57.30
O=C([O-])C12CCC(C(=O)N3CCCC[C@H]([NH+]4CCOCC4)C3)(CC1)C2	REAL300006990304	1	55	0.0	-76.58	379.79	8.83	-67.75
O=C([O-])C12CCC(C(=O)N3CCCC[C@H]([NH+]4CCOCC4)C3)(CC1)CC2	REAL300006990305	1	58	0.0	-73.51	388.22	9.05	-64.46
CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990306	1	53	0.0	-67.65	362.93	8.22	-59.43
CC(CC(=O)[O-])CC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990307	1	50	0.0	-68.96	353.16	7.80	-61.16
O=C([O-])CC1=C(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)NC2=CC=CC=C21	REAL300006990309	1	55	0.0	-81.24	387.59	9.33	-71.91
O=C([O-])C1(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CCCC1	REAL300006990311	1	51	0.0	-59.02	348.38	7.69	-51.33
O=C([O-])C1=CN(CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)N=C1	REAL300006990314	1	48	0.0	-75.66	360.46	6.85	-68.81
O=C([O-])C1(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CC2(CCC2)C1	REAL300006990316	1	55	0.0	-56.23	378.02	8.98	-47.25
O=C([O-])COC1=CC=C(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990317	1	52	0.0	-70.85	384.09	8.65	-62.20
O=C([O-])CSCCC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990318	1	48	0.0	-67.52	363.55	7.94	-59.58
O=C([O-])COCC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990320	1	45	0.0	-71.45	332.61	6.61	-64.84
C[C@@H]1C[C@H](C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)O[C@H]1C(=O)[O-]	REAL300006990322	1	52	0.0	-73.23	369.04	7.82	-65.41
CC(C)(CCC(=O)[O-])C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990323	1	53	0.0	-71.87	361.91	7.68	-64.19
O=C([O-])CC1=CC=C(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990324	1	51	0.0	-68.92	363.32	8.77	-60.15
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990325	1	52	0.0	-74.65	385.17	9.66	-64.99
O=C([O-])C1=COC(C=CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)=C1	REAL300006990326	1	49	0.0	-76.98	369.02	8.03	-68.95
O=C([O-])CCC1=CC=CC=C1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990327	1	54	0.0	-60.30	386.80	9.53	-50.77
O=C([O-])C1=C(COCC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)OC=N1	REAL300006990328	1	51	0.0	-76.48	386.45	4.49	-71.99
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)O1	REAL300006990329	1	49	0.0	-62.56	370.50	8.39	-54.17
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C1	REAL300006990330	1	51	0.0	-72.96	357.61	8.11	-64.85
CC1=CC=C(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1C(=O)[O-]	REAL300006990331	1	51	0.0	-88.01	352.36	8.21	-79.80
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990333	1	50	0.0	-66.06	364.10	7.01	-59.05
O=C([O-])C1=NN(CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990334	1	48	0.0	-84.55	359.84	6.88	-77.67
O=C([O-])C1=NN(CCCC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990335	1	54	0.0	-85.77	403.48	8.33	-77.44
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990336	1	48	0.0	-67.39	339.49	8.53	-58.86
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)O1	REAL300006990337	1	55	0.0	-74.87	394.55	8.54	-66.33
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C1	REAL300006990338	1	55	0.0	-69.26	393.51	7.32	-61.94
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990339	1	48	0.0	-67.39	339.49	8.53	-58.86
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990341	1	56	0.0	-54.20	380.75	9.86	-44.34
CC(C)C(C(=O)[O-])C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990342	1	50	0.0	-59.25	349.57	7.23	-52.02
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990343	1	54	0.0	-65.51	362.50	9.15	-56.36
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC[C@H](N3CCOCC3)C2)C1	REAL300006990344	0	56	0.0	-48.56	390.64	6.49	-42.07
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC[C@H](N3CCOCC3)C2)C1	REAL300006990344	1	56	0.0	-48.83	384.51	6.47	-42.36
O=C([O-])C1(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CC1C1=CC=CC=C1	REAL300006990345	1	55	0.0	-59.97	399.00	10.33	-49.64
O=C([O-])CC1=C(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)NC2=CC=CC=C21	REAL300006990346	1	55	0.0	-81.24	387.59	9.33	-71.91
O=C([O-])C1=CN(CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C2=CC=CC=C12	REAL300006990347	1	55	0.0	-87.28	411.76	10.84	-76.44
O=C([O-])C1CC12CC(C(=O)N1CCCC[C@H]([NH+]3CCOCC3)C1)C2	REAL300006990348	1	52	0.0	-71.07	373.42	9.02	-62.05
O=C([O-])[C@H]1C[C@@H](C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C1	REAL300006990349	1	48	0.0	-68.96	344.42	7.66	-61.30
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990350	1	54	0.0	-63.27	381.69	8.77	-54.50
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990351	1	51	0.0	-68.72	372.86	9.05	-59.67
CC1(C(=O)[O-])CC(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C1	REAL300006990352	1	51	0.0	-70.71	363.77	8.14	-62.57
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990355	1	50	0.0	-68.01	358.35	6.83	-61.18
CCCC(C(=O)[O-])C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990356	1	50	0.0	-52.22	351.70	7.61	-44.61
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990357	1	51	0.0	-73.17	371.74	9.02	-64.15
O=C([O-])C1=CC=C(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C(Cl)=C1	REAL300006990358	1	48	0.0	-67.82	354.21	8.51	-59.31
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCC[C@H]([NH+]3CCOCC3)C1)C2	REAL300006990359	1	55	0.0	-70.69	392.90	9.55	-61.14
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990361	1	49	0.0	-71.40	352.59	7.60	-63.80
O=C([O-])C1(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CC=CC1	REAL300006990362	1	49	0.0	-59.65	338.66	7.60	-52.05
O=C([O-])CCC1=CC=C(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990363	1	54	0.0	-70.23	396.63	9.95	-60.28
O=C([O-])CC1(CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CC1	REAL300006990365	1	51	0.0	-62.96	366.41	8.52	-54.44
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCC[C@H]([NH+]3CCOCC3)C1)C2	REAL300006990366	1	52	0.0	-63.54	386.35	9.19	-54.35
COC(C(=O)[O-])C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990368	1	45	0.0	-60.01	320.37	5.82	-54.19
C[C@]1(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C[C@H]1C(=O)[O-]	REAL300006990369	1	48	0.0	-49.86	332.53	6.84	-43.02
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990375	1	53	0.0	-69.31	387.06	8.25	-61.06
O=C([O-])C1=CC=C(/C=C/C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1	REAL300006990377	1	52	0.0	-80.70	381.89	9.66	-71.04
CC1CC1(C(=O)[O-])C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990378	1	48	0.0	-54.95	335.92	7.11	-47.84
O=C([O-])C1(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CC2(CCC2)C1	REAL300006990379	1	55	0.0	-56.23	378.02	8.98	-47.25
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCC[C@H]([NH+]3CCOCC3)C1)=C2	REAL300006990381	1	49	0.0	-66.83	375.50	7.97	-58.86
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCC[C@H]([NH+]4CCOCC4)C3)N2)S1	REAL300006990382	1	49	0.0	-70.76	357.34	7.98	-62.78
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCC[C@H]([NH+]3CCOCC3)C1)=C2	REAL300006990383	1	49	0.0	-67.73	363.47	6.90	-60.83
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990384	1	51	0.0	-74.00	366.20	8.90	-65.10
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=N1	REAL300006990385	1	51	0.0	-79.49	377.74	7.89	-71.60
C=C1CCC1(C(=O)[O-])C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990386	1	49	0.0	-59.52	347.45	7.56	-51.96
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990388	1	53	0.0	-59.51	371.48	6.90	-52.61
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCC[C@H]([NH+]4CCOCC4)C3)C=CC=C12	REAL300006990389	1	54	0.0	-77.09	392.23	10.44	-66.65
CC(C)[C@]1(C(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C[C@H]1C(=O)[O-]	REAL300006990390	1	54	0.0	-53.76	371.61	8.27	-45.49
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990391	1	54	0.0	-80.10	395.11	9.92	-70.18
O=C([O-])C1=CSC(CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)=C1	REAL300006990392	1	48	0.0	-74.64	369.89	8.54	-66.10
O=C([O-])C1=CC=C(CC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C=C1F	REAL300006990393	1	51	0.0	-81.16	382.89	9.43	-71.73
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300006990394	1	51	0.0	-63.95	359.17	8.24	-55.71
O=C([O-])C12CCC(C(=O)N3CCCC[C@H]([NH+]4CCOCC4)C3)(CC1)CC2	REAL300006990396	1	58	0.0	-73.51	388.22	9.05	-64.46
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC(F)=CC(F)=C2F)C1	REAL300006990464	0	47	0.0	-51.26	374.69	11.05	-40.21
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC(F)=CC(F)=C2F)C1	REAL300006990464	1	47	0.0	-51.32	367.90	10.97	-40.35
C[C@@]12CSC[C@]1(C)CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300006990570	0	48	0.0	-46.04	348.13	8.48	-37.56
C[C@@]12CSC[C@]1(C)CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300006990570	1	48	0.0	-47.98	355.16	9.09	-38.89
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C(F)C3=CC=CC=C3C=C2)C1	REAL300006990691	0	46	0.0	-49.27	367.40	9.67	-39.60
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C(F)C3=CC=CC=C3C=C2)C1	REAL300006990691	1	46	0.0	-49.50	361.20	9.65	-39.85
CC1CCCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006990785	0	52	0.0	-46.93	364.36	8.86	-38.07
CC1CCCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300006990785	1	52	0.0	-44.21	363.60	8.47	-35.74
CC1=CC(C)=NN1C1=NC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300006990886	1	49	0.0	-47.05	372.18	9.67	-37.38
CC1=CC(C)=NN1C1=NC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006990886	1	49	0.0	-46.83	374.53	10.08	-36.75
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COCCCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300006997535	1	52	0.0	-72.37	419.90	6.77	-65.60
COCCCC(NC(=O)C(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300006997536	1	48	0.0	-66.35	362.30	3.61	-62.74
COCCCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006997603	0	56	0.0	-77.07	445.43	8.52	-68.55
COCCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006997609	0	56	0.0	-78.33	446.46	10.79	-67.54
COCCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006997609	1	56	0.0	-76.83	446.46	10.80	-66.03
COCCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300006997677	0	52	0.0	-50.22	370.87	7.09	-43.13
COCCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300006997679	0	52	0.0	-64.61	389.76	7.38	-57.23
COCCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300006997679	1	52	0.0	-64.31	389.17	7.34	-56.97
COCCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300006997739	0	46	0.0	-77.45	379.92	6.40	-71.05
COCCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300006997757	0	54	0.0	-76.05	403.31	5.99	-70.06
COCCCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300006997781	1	50	0.0	-72.36	389.03	5.35	-67.01
CC[N@H+](CC1=CC=C(C(=O)NC(CCCOC)C(=O)[O-])C=C1)C(C)C	REAL300006997782	0	55	0.0	-76.71	418.29	8.83	-67.88
CC[N@@H+](CC1=CC=C(C(=O)NC(CCCOC)C(=O)[O-])C=C1)C(C)C	REAL300006997782	1	55	0.0	-79.40	409.89	8.56	-70.84
COCCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006997799	0	50	0.0	-64.96	396.02	8.26	-56.70
COCCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006997799	1	50	0.0	-64.93	396.59	8.21	-56.72
COCCCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300006997800	0	51	0.0	-72.26	391.42	7.36	-64.90
COCCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300006997824	0	54	0.0	-66.94	388.92	5.63	-61.31
COCCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006997827	0	49	0.0	-56.26	386.34	7.76	-48.50
COCCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006997827	1	49	0.0	-57.08	386.37	7.69	-49.39
COCCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006997834	0	56	0.0	-56.72	428.99	9.98	-46.74
COCCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006997834	1	56	0.0	-67.00	434.40	9.81	-57.19
COCCCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300006997850	0	45	0.0	-76.50	365.31	5.42	-71.08
CCC[NH+](CCC)CCCC(=O)NC(CCCOC)C(=O)[O-]	REAL300006997857	0	54	0.0	-66.53	413.32	7.96	-58.57
COCCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300006997875	0	50	0.0	-79.01	392.85	8.33	-70.68
COCCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300006997880	0	53	0.0	-72.61	410.48	9.10	-63.51
CCN1CCC([NH+]2CCC(C(=O)NC(CCCOC)C(=O)[O-])CC2)CC1	REAL300006997886	0	61	0.0	-68.88	446.22	6.72	-62.16
COCCCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300006997893	1	57	0.0	-83.76	444.58	8.10	-75.66
COCCCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006997903	1	54	0.0	-76.01	418.91	8.26	-67.75
COCCCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006997903	1	54	0.0	-74.40	425.93	8.25	-66.15
COCCCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006997917	1	44	0.0	-79.09	367.36	5.60	-73.49
COCCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300006997920	0	53	0.0	-80.51	411.00	9.01	-71.50
COCCCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300006997931	1	46	0.0	-76.70	375.01	5.81	-70.89
COCCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006997932	0	49	0.0	-84.83	392.24	8.07	-76.76
COCCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006997937	1	51	0.0	-70.55	398.55	7.57	-62.98
COCCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300006997937	1	51	0.0	-70.46	398.66	7.57	-62.89
COCCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006997946	0	59	0.0	-55.68	444.45	10.08	-45.60
COCCCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006997977	0	49	0.0	-59.77	389.90	8.20	-51.57
COCCCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300006997977	1	49	0.0	-60.16	390.49	8.23	-51.93
COCCCC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300006997978	0	53	0.0	-66.66	419.54	4.41	-62.25
COCCCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300006997978	1	53	0.0	-64.43	418.90	4.37	-60.06
COCCCC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300006997981	0	47	0.0	-66.44	349.09	4.02	-62.42
COCCCC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300006997981	1	47	0.0	-65.68	358.81	4.21	-61.47
COCCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006997986	0	58	0.0	-71.99	445.90	7.86	-64.13
CCCCCC[N@H+](C)CC(=O)NC(CCCOC)C(=O)[O-]	REAL300006997987	0	51	0.0	-59.19	395.32	7.48	-51.71
CCCCCC[N@@H+](C)CC(=O)NC(CCCOC)C(=O)[O-]	REAL300006997987	1	51	0.0	-59.18	395.32	7.47	-51.71
COCCCC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300006998009	0	44	0.0	-59.46	352.10	6.00	-53.46
COCCCC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300006998009	1	44	0.0	-60.74	351.08	5.96	-54.78
COCCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300006998019	0	54	0.0	-70.15	406.95	4.89	-65.26
COCCCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300006998019	1	54	0.0	-63.42	402.43	4.73	-58.69
COCCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300006998020	0	57	0.0	-68.12	428.20	5.76	-62.36
COCCCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300006998020	1	57	0.0	-66.96	423.93	5.52	-61.44
COCCCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300006998022	0	46	0.0	-77.65	375.06	5.26	-72.39
COCCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300006998025	0	58	0.0	-67.04	444.97	7.76	-59.28
COCCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006998027	0	55	0.0	-67.94	424.40	7.06	-60.88
COCCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006998030	0	52	0.0	-67.72	407.65	7.15	-60.57
COCCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300006998030	1	52	0.0	-66.04	401.36	7.35	-58.69
COCCCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300006998035	1	50	0.0	-58.22	386.63	8.28	-49.94
COCCCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300006998035	1	50	0.0	-57.18	385.80	8.31	-48.87
COCCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006998055	0	53	0.0	-71.00	413.94	8.88	-62.12
COCCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006998055	1	53	0.0	-70.54	413.71	8.93	-61.61
COCCCC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006998066	0	46	0.0	-83.43	375.44	5.27	-78.16
COCCCC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300006998067	0	46	0.0	-57.08	370.17	5.20	-51.88
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CCCOC)C(=O)[O-]	REAL300006998068	1	47	0.0	-59.55	376.72	6.97	-52.58
COCCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006998079	0	53	0.0	-66.07	412.88	9.18	-56.89
COCCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300006998079	1	53	0.0	-67.46	418.87	9.03	-58.43
COCCCC(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300006998083	0	47	0.0	-64.80	362.91	4.44	-60.36
COCCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300006998084	0	54	0.0	-66.41	421.29	6.51	-59.90
COCCCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300006998121	1	53	0.0	-78.59	409.14	7.15	-71.44
COCCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006998122	0	53	0.0	-60.32	396.83	7.71	-52.61
COCCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300006998122	1	53	0.0	-64.70	396.09	7.63	-57.07
COCCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300006998148	0	55	0.0	-71.32	428.43	6.64	-64.68
COCCCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300006998149	0	55	0.0	-77.75	426.65	6.49	-71.26
COCCCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300006998149	1	55	0.0	-80.48	427.00	6.55	-73.93
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CCCOC)C(=O)[O-])C=C1	REAL300006998150	0	56	0.0	-78.76	430.92	8.08	-70.68
COCCCC(NC(=O)C1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300006998156	0	49	0.0	-66.17	366.60	6.40	-59.77
COCCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300006998230	0	57	0.0	-83.12	442.15	6.41	-76.71
COCCCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300006998234	0	46	0.0	-74.80	369.51	7.27	-67.53
COCCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006998235	0	53	0.0	-64.26	412.75	8.91	-55.35
COCCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300006998235	1	53	0.0	-63.11	412.67	8.90	-54.21
CC[NH+]1CCN(CCC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300006998277	0	51	0.0	-70.05	388.80	4.28	-65.77
CCN1CC[NH+](CCC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300006998277	1	51	0.0	-64.08	390.20	4.37	-59.71
COCCCC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300006998284	1	47	0.0	-58.70	376.20	6.91	-51.79
COCCCC(NC(=O)C(C)[NH+]1CCCCCC1)C(=O)[O-]	REAL300006998308	0	49	0.0	-54.11	362.68	6.50	-47.61
COCCCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006998335	1	51	0.0	-80.32	403.71	7.69	-72.63
COCCCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300006998335	1	51	0.0	-80.39	404.51	7.69	-72.70
CC[NH+](CC)CC1=CC=C(C(=O)NC(CCCOC)C(=O)[O-])O1	REAL300006998375	0	49	0.0	-72.38	391.09	6.94	-65.44
COCCCC(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300006998376	0	49	0.0	-69.37	382.09	7.07	-62.30
COCCCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300006998377	1	52	0.0	-69.63	405.39	6.86	-62.77
COCCCC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006998378	1	46	0.0	-60.52	368.02	7.38	-53.14
COCCCC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300006998378	1	46	0.0	-60.07	367.42	7.36	-52.71
COCCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300006998381	0	58	0.0	-80.51	437.52	7.65	-72.86
COCCCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300006998390	1	41	0.0	-76.35	350.05	5.20	-71.15
COCCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006998416	0	53	0.0	-66.48	416.35	8.82	-57.66
COCCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300006998416	1	53	0.0	-66.20	407.86	8.52	-57.68
COCCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006998433	0	54	0.0	-81.38	433.84	8.25	-73.13
COCCCC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300006998444	0	47	0.0	-76.45	371.31	5.87	-70.58
COCCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300006998448	0	50	0.0	-74.75	396.68	7.31	-67.44
CCC[N@@H+]1CCCC(C(=O)NC(CCCOC)C(=O)[O-])C1	REAL300006998573	0	49	0.0	-64.97	375.32	6.73	-58.24
CCC[N@H+]1CCCC(C(=O)NC(CCCOC)C(=O)[O-])C1	REAL300006998573	1	49	0.0	-64.15	374.51	6.78	-57.37
COCCCC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300006998598	1	47	0.0	-57.61	364.55	2.94	-54.67
COCCCC(NC(=O)C1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300006998754	0	49	0.0	-61.23	369.66	6.55	-54.68
COCCCC(NC(=O)C1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300006998754	1	49	0.0	-62.51	369.67	6.55	-55.96
COCCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006998755	0	43	0.0	-66.62	355.06	5.50	-61.12
COCCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300006998755	1	43	0.0	-76.56	355.12	5.49	-71.07
COCCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300006999101	0	49	0.0	-77.63	392.24	8.05	-69.58
COCCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300006999106	0	50	0.0	-80.32	398.70	7.06	-73.26
COCCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300006999177	0	56	0.0	-68.23	431.30	9.66	-58.57
COCCCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006999179	1	54	0.0	-83.14	417.11	7.39	-75.75
COCCCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300006999179	1	54	0.0	-82.47	417.16	7.39	-75.08
COCCCC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300006999199	0	49	0.0	-66.61	363.65	6.47	-60.14
COCCCC(NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C(=O)[O-]	REAL300006999203	0	41	0.0	-64.46	342.94	7.07	-57.39
COCCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300006999241	0	52	0.0	-56.58	385.68	7.66	-48.92
COCCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300006999241	1	52	0.0	-56.24	386.53	7.64	-48.60
CN(C)C1=CC=C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300006999335	0	55	0.0	-46.37	399.50	10.70	-35.67
CN(C)C1=CC=C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300006999335	1	55	0.0	-42.84	391.11	10.22	-32.62
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COC1=CC=C(F)C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300006999455	1	44	0.0	-49.06	352.09	6.85	-42.21
COC1CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300006999539	0	50	0.0	-46.50	367.15	6.54	-39.96
COC1CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300006999539	1	50	0.0	-49.56	374.54	6.51	-43.05
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CC(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)N1CC[NH+](C)CC1	REAL300007002791	1	47	0.0	-90.33	347.18	6.24	-84.09
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C=C1	REAL300007002879	0	55	0.0	-96.81	431.32	11.39	-85.42
CC1(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007002892	0	55	0.0	-90.37	400.68	11.64	-78.73
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C[NH+](C)CC1(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)CCCCC1	REAL300007002983	0	51	0.0	-93.41	345.29	9.68	-83.73
C[N@H+](CCC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)C1CCCCC1	REAL300007002988	0	51	0.0	-95.17	375.68	10.25	-84.92
C[N@@H+](CCC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)C1CCCCC1	REAL300007002988	1	51	0.0	-95.28	375.67	10.25	-85.03
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CC[N@H+](CC1=CC=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C=C1)C(C)C	REAL300007003130	0	54	0.0	-101.77	393.24	11.10	-90.67
CC[N@@H+](CC1=CC=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C=C1)C(C)C	REAL300007003130	1	54	0.0	-102.59	393.01	11.02	-91.57
O=C([O-])C1=C2CN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CCN2C=C1	REAL300007003155	0	49	0.0	-93.87	376.54	10.82	-83.05
O=C([O-])C1=C2CN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CCN2C=C1	REAL300007003155	1	49	0.0	-95.09	377.32	10.88	-84.21
O=C([O-])C1=C2CN(C(=O)C3CC[NH+](C4CCSC4)CC3)CCN2C=C1	REAL300007003156	0	50	0.0	-68.57	380.64	10.40	-58.17
C[NH+]1CCN(C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C2=CC=CC=C2)CC1	REAL300007003184	1	54	0.0	-89.71	409.20	9.49	-80.22
O=C([O-])C1=C2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CCN2C=C1	REAL300007003185	0	53	0.0	-96.48	370.20	8.33	-88.15
CCC(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)[NH+](CC)CC	REAL300007003189	0	47	0.0	-80.44	338.61	8.75	-71.69
CC(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300007003191	0	48	0.0	-90.24	369.04	10.50	-79.74
CC(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007003191	1	48	0.0	-89.92	368.74	10.46	-79.46
O=C([O-])C1=C2CN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)CCN2C=C1	REAL300007003202	0	55	0.0	-89.90	412.54	12.73	-77.17
O=C([O-])C1=C2CN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)CCN2C=C1	REAL300007003202	1	55	0.0	-89.79	412.68	12.71	-77.08
C[NH+](C)CC1=CC=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C=N1	REAL300007003228	0	44	0.0	-71.62	350.39	8.20	-63.42
CCC[NH+](CCC)CCCC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003239	0	53	0.0	-93.83	399.81	10.87	-82.96
O=C([O-])C1=C2CN(C(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)CCN2C=C1	REAL300007003240	1	53	0.0	-84.92	400.91	8.31	-76.61
CC[N@H+](C)C(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300007003241	0	48	0.0	-83.17	362.67	10.40	-72.77
CC[N@@H+](C)C(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300007003241	1	48	0.0	-82.27	363.72	10.39	-71.88
CC[NH+](CC)C(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300007003246	0	51	0.0	-86.25	374.32	10.79	-75.46
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003253	1	43	0.0	-84.86	342.90	9.33	-75.53
C[NH+](C)C(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)C1=CC=C(Cl)C=C1	REAL300007003257	1	45	0.0	-86.78	358.72	10.18	-76.60
O=C([O-])C1=C2CN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CCN2C=C1	REAL300007003271	0	49	0.0	-69.17	378.18	10.87	-58.30
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CCN1CCC([NH+]2CCC(C(=O)N3CCN4C=CC(C(=O)[O-])=C4C3)CC2)CC1	REAL300007003284	0	60	0.0	-63.74	431.67	9.45	-54.29
CC1C[NH+](CC2=CC=C(C(=O)N3CCN4C=CC(C(=O)[O-])=C4C3)C=C2)CC(C)O1	REAL300007003291	1	56	0.0	-104.54	428.70	10.61	-93.93
O=C([O-])C1=C2CN(C(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)CCN2C=C1	REAL300007003304	1	53	0.0	-103.01	411.50	11.17	-91.84
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O=C([O-])C1=C2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)CCN2C=C1	REAL300007003320	0	52	0.0	-86.56	394.63	11.76	-74.80
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CC1=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C=NN1C1=CC=[NH+]C=C1	REAL300007003322	1	43	0.0	-80.26	352.37	8.17	-72.09
O=C([O-])C1=C2CN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)CCN2C=C1	REAL300007003330	0	52	0.0	-101.71	395.39	11.58	-90.13
O=C([O-])C1=C2CN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)CCN2C=C1	REAL300007003343	1	45	0.0	-78.71	358.70	9.11	-69.60
C[NH+](C)CCC1=CC=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C=C1	REAL300007003344	0	48	0.0	-104.37	376.31	10.56	-93.81
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003356	1	41	0.0	-83.54	327.32	7.15	-76.39
O=C([O-])C1=C2CN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)CCN2C=C1	REAL300007003357	1	50	0.0	-106.18	384.41	10.35	-95.83
O=C([O-])C1=C2CN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)CCN2C=C1	REAL300007003357	1	50	0.0	-103.92	387.71	10.43	-93.49
CC(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007003369	0	58	0.0	-89.76	432.97	12.99	-76.77
CC(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)[NH+]1CCSCC1	REAL300007003414	1	43	0.0	-88.80	334.30	8.49	-80.31
C[N@H+](CC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)CC(C)(C)C	REAL300007003420	0	47	0.0	-90.07	345.09	9.00	-81.07
C[N@@H+](CC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)CC(C)(C)C	REAL300007003420	1	47	0.0	-89.90	347.01	9.13	-80.77
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003422	0	48	0.0	-93.14	376.36	11.02	-82.12
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003422	1	48	0.0	-93.25	376.37	11.01	-82.24
COCCOCC[N@H+](C)CCC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003423	0	52	0.0	-93.86	405.37	7.26	-86.60
COCCOCC[N@@H+](C)CCC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003423	1	52	0.0	-95.60	405.41	7.27	-88.33
C[N@@H+]1CCCC(O)(CC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C1	REAL300007003427	0	46	0.0	-91.77	344.76	7.07	-84.70
C[N@H+]1CCCC(O)(CC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C1	REAL300007003427	1	46	0.0	-92.54	334.98	6.89	-85.65
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CCCCCC[N@H+](C)CC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003447	0	50	0.0	-91.61	380.96	10.33	-81.28
CCCCCC[N@@H+](C)CC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003447	1	50	0.0	-91.56	380.95	10.33	-81.23
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C[N@H+](CC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)C1CCSC1	REAL300007003483	0	43	0.0	-94.60	336.74	8.82	-85.78
C[N@@H+](CC(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)C1CCSC1	REAL300007003483	1	43	0.0	-93.57	336.53	8.84	-84.73
CC(C)[NH+]1CCN(CCC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)CC1	REAL300007003498	0	53	0.0	-93.42	392.58	7.82	-85.60
CC(C)N1CC[NH+](CCC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)CC1	REAL300007003498	1	53	0.0	-94.78	389.08	7.61	-87.17
CC(C)[NH+]1CCN(CCCC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)CC1	REAL300007003499	0	56	0.0	-90.56	414.11	8.62	-81.94
CC(C)N1CC[NH+](CCCC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)CC1	REAL300007003499	1	56	0.0	-94.98	410.60	8.42	-86.56
O=C([O-])C1=C2CN(C(=O)C3CCCC4CCC[N@@H+]43)CCN2C=C1	REAL300007003500	0	46	0.0	-82.19	342.19	9.32	-72.87
O=C([O-])C1=C2CN(C(=O)C3CCCC4CCC[N@H+]43)CCN2C=C1	REAL300007003500	1	46	0.0	-81.46	340.93	9.26	-72.20
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CCC[N@@H+]1CCCCC1C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003930	0	48	0.0	-88.47	349.19	9.20	-79.27
CCC[N@H+]1CCCCC1C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003930	1	48	0.0	-87.27	342.92	8.98	-78.29
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007003931	0	45	0.0	-77.38	349.88	9.71	-67.67
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CC(C)C(C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1)[NH+]1CCCCC1	REAL300007003935	0	51	0.0	-87.33	359.17	10.05	-77.28
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CC(C)C[N@H+]1CCCC(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C1	REAL300007005423	1	51	0.0	-61.65	378.04	10.21	-51.44
CC[N@@H+]1CCCC(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C1	REAL300007005424	0	45	0.0	-86.87	331.27	8.93	-77.94
CC[N@H+]1CCCC(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C1	REAL300007005424	1	45	0.0	-81.09	330.04	8.92	-72.17
C[NH+](C)CC1=CC=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)O1	REAL300007005430	1	42	0.0	-61.06	337.57	8.35	-52.71
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CC1(C)CCCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007005512	1	55	0.0	-44.56	372.30	8.67	-35.89
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COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300007005635	1	44	0.0	-51.05	352.49	7.17	-43.88
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300007005635	1	44	0.0	-55.49	353.28	7.63	-47.86
CCCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=CC=C1F	REAL300007005753	1	49	0.0	-49.26	374.14	9.78	-39.48
CC(C)CN1C=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300007005862	1	49	0.0	-50.72	377.90	7.67	-43.05
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007005904	0	44	0.0	-71.58	325.39	5.58	-66.00
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007005904	1	44	0.0	-71.62	328.06	5.21	-66.41
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007005904	1	44	0.0	-71.58	325.39	5.58	-66.00
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300007005905	0	48	0.0	-63.92	358.54	5.92	-58.00
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300007005905	1	48	0.0	-78.44	359.13	5.49	-72.95
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300007005905	1	48	0.0	-63.92	358.54	5.92	-58.00
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007005906	0	44	0.0	-62.13	327.49	5.62	-56.51
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007005906	1	44	0.0	-79.96	328.96	5.23	-74.73
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007005906	1	44	0.0	-62.13	327.49	5.62	-56.51
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])S1	REAL300007005907	0	41	0.0	-66.24	319.95	4.84	-61.40
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C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])S1	REAL300007005907	1	41	0.0	-66.24	319.95	4.84	-61.40
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C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300007005908	1	43	0.0	-54.80	326.24	4.31	-50.49
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300007005908	1	43	0.0	-53.21	322.93	4.68	-48.53
CCOC1=CC(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)=CC=C1OCC(=O)[O-]	REAL300007005909	0	55	0.0	-76.85	410.66	6.18	-70.67
CCOC1=CC(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)=CC=C1OCC(=O)[O-]	REAL300007005909	1	55	0.0	-78.12	408.59	6.57	-71.55
CCOC1=CC(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)=CC=C1OCC(=O)[O-]	REAL300007005909	1	55	0.0	-76.85	410.66	6.18	-70.67
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300007005910	1	50	0.0	-76.91	373.94	7.49	-69.42
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007005911	0	43	0.0	-65.85	323.30	3.90	-61.95
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007005911	1	43	0.0	-82.43	324.93	3.48	-78.95
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007005911	1	43	0.0	-65.85	323.30	3.90	-61.95
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300007005912	1	48	0.0	-77.57	361.41	7.15	-70.42
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007005913	1	52	0.0	-73.86	406.60	2.33	-71.53
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300007005914	0	46	0.0	-70.40	355.56	6.28	-64.12
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300007005914	1	46	0.0	-71.73	356.76	5.89	-65.84
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300007005914	1	46	0.0	-70.40	355.56	6.28	-64.12
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300007005915	0	46	0.0	-70.40	355.56	6.28	-64.12
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300007005915	1	46	0.0	-71.73	356.76	5.89	-65.84
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300007005915	1	46	0.0	-70.40	355.56	6.28	-64.12
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)C=C1	REAL300007005916	0	54	0.0	-77.35	402.41	7.21	-70.14
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C=C1	REAL300007005916	1	54	0.0	-76.61	403.91	6.80	-69.81
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)C=C1	REAL300007005916	1	54	0.0	-77.35	402.41	7.21	-70.14
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300007005917	1	50	0.0	-64.89	365.61	7.28	-57.61
CC1=CC(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)=CC(C)=C1OCC(=O)[O-]	REAL300007005918	0	54	0.0	-73.82	402.57	7.45	-66.37
CC1=CC(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)=CC(C)=C1OCC(=O)[O-]	REAL300007005918	1	54	0.0	-74.41	403.11	7.04	-67.37
CC1=CC(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)=CC(C)=C1OCC(=O)[O-]	REAL300007005918	1	54	0.0	-73.82	402.57	7.45	-66.37
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007005919	1	47	0.0	-80.79	352.54	6.68	-74.11
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1CCCC(C(=O)[O-])C1	REAL300007005920	0	50	0.0	-64.12	347.57	5.91	-58.21
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1CCCC(C(=O)[O-])C1	REAL300007005920	1	50	0.0	-80.39	352.57	5.60	-74.79
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1CCCC(C(=O)[O-])C1	REAL300007005920	1	50	0.0	-64.12	347.57	5.91	-58.21
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007005921	0	43	0.0	-71.21	323.19	3.75	-67.46
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007005921	1	43	0.0	-71.51	323.86	3.36	-68.15
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007005921	1	43	0.0	-71.21	323.19	3.75	-67.46
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300007005922	0	43	0.0	-60.76	322.26	4.68	-56.08
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300007005922	1	43	0.0	-60.66	325.27	4.38	-56.28
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300007005922	1	43	0.0	-60.76	322.26	4.68	-56.08
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CC(C)(C)CC(=O)[O-]	REAL300007005923	1	49	0.0	-72.27	337.04	5.43	-66.84
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300007005924	0	44	0.0	-71.65	330.95	5.65	-66.00
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300007005924	1	44	0.0	-71.67	332.86	5.29	-66.38
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300007005924	1	44	0.0	-71.65	330.95	5.65	-66.00
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300007005925	0	42	0.0	-64.43	317.97	2.86	-61.57
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300007005925	1	42	0.0	-63.89	321.08	2.47	-61.42
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300007005925	1	42	0.0	-64.43	317.97	2.86	-61.57
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300007005926	0	50	0.0	-71.69	347.62	5.92	-65.77
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300007005926	1	50	0.0	-70.98	352.94	5.56	-65.42
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300007005926	1	50	0.0	-71.69	347.62	5.92	-65.77
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C1CCC(C(=O)[O-])CC1	REAL300007005927	0	50	0.0	-72.26	348.93	5.94	-66.32
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1CCC(C(=O)[O-])CC1	REAL300007005927	1	50	0.0	-71.74	353.51	5.59	-66.15
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1CCC(C(=O)[O-])CC1	REAL300007005927	1	50	0.0	-72.26	348.93	5.94	-66.32
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007005928	1	47	0.0	-86.30	352.56	6.68	-79.62
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300007005929	0	43	0.0	-87.18	329.79	2.59	-84.59
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300007005929	1	43	0.0	-86.75	332.78	2.23	-84.52
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300007005929	1	43	0.0	-87.18	329.79	2.59	-84.59
CC1=NC(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)=CC=C1C(=O)[O-]	REAL300007005930	0	46	0.0	-63.08	342.02	5.30	-57.78
CC1=NC(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)=CC=C1C(=O)[O-]	REAL300007005930	1	46	0.0	-62.74	345.21	4.90	-57.84
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CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C(CC(=O)[O-])C(F)F	REAL300007008994	0	50	0.0	-59.08	351.62	7.89	-51.19
CC(C(=O)N(C)C(CC(=O)[O-])C(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300007008997	0	45	0.0	-59.76	346.53	10.06	-49.70
CC(C(=O)N(C)C(CC(=O)[O-])C(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300007008997	1	45	0.0	-52.64	348.08	9.74	-42.90
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(CC(=O)[O-])C(F)F	REAL300007009005	0	52	0.0	-59.25	387.96	12.24	-47.01
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(CC(=O)[O-])C(F)F	REAL300007009005	1	52	0.0	-64.71	393.62	11.87	-52.84
CN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)C(CC(=O)[O-])C(F)F	REAL300007009021	0	41	0.0	-74.01	327.27	7.09	-66.92
CCC[NH+](CCC)CCCC(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009028	0	50	0.0	-65.94	372.89	10.02	-55.92
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009035	1	40	0.0	-49.48	320.76	8.78	-40.70
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(CC(=O)[O-])C(F)F	REAL300007009048	0	46	0.0	-75.54	353.02	10.15	-65.39
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(CC(=O)[O-])C(F)F	REAL300007009053	0	49	0.0	-67.48	373.55	10.91	-56.57
CCN1CCC([NH+]2CCC(C(=O)N(C)C(CC(=O)[O-])C(F)F)CC2)CC1	REAL300007009059	0	57	0.0	-68.97	400.33	8.50	-60.47
CC1C[NH+](CC2=CC=C(C(=O)N(C)C(CC(=O)[O-])C(F)F)C=C2)CC(C)O1	REAL300007009066	1	53	0.0	-81.47	404.44	10.25	-71.22
CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(CC(=O)[O-])C(F)F	REAL300007009078	1	50	0.0	-74.35	381.93	10.47	-63.88
CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(CC(=O)[O-])C(F)F	REAL300007009078	1	50	0.0	-75.33	390.10	10.39	-64.94
CC1=C(C(=O)N(C)C(CC(=O)[O-])C(F)F)C=NN1C1=CC=[NH+]C=C1	REAL300007009092	1	40	0.0	-72.64	330.96	7.35	-65.29
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(CC(=O)[O-])C(F)F	REAL300007009095	0	49	0.0	-76.34	370.35	10.88	-65.46
CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(CC(=O)[O-])C(F)F	REAL300007009106	1	42	0.0	-73.50	335.27	8.66	-64.84
CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(CC(=O)[O-])C(F)F	REAL300007009107	0	45	0.0	-82.58	352.10	10.22	-72.36
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009112	1	38	0.0	-51.71	304.96	6.38	-45.33
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(CC(=O)[O-])C(F)F	REAL300007009113	1	47	0.0	-64.06	358.72	9.59	-54.47
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(CC(=O)[O-])C(F)F	REAL300007009113	1	47	0.0	-62.70	365.27	9.48	-53.22
CC(C(=O)N(C)C(CC(=O)[O-])C(F)F)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007009123	0	55	0.0	-54.57	408.66	12.40	-42.17
CN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C(CC(=O)[O-])C(F)F	REAL300007009155	0	45	0.0	-52.48	354.25	10.47	-42.01
CN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(CC(=O)[O-])C(F)F	REAL300007009155	1	45	0.0	-58.27	353.94	10.46	-47.81
COCCOCC[N@H+](C)CCC(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009156	0	49	0.0	-57.25	383.24	6.73	-50.52
COCCOCC[N@@H+](C)CCC(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009156	1	49	0.0	-60.63	383.29	6.74	-53.89
CN(C(=O)CC1(O)CCC[N@H+](C)C1)C(CC(=O)[O-])C(F)F	REAL300007009159	0	43	0.0	-56.60	325.54	6.25	-50.35
CN(C(=O)CC1(O)CCC[N@@H+](C)C1)C(CC(=O)[O-])C(F)F	REAL300007009159	1	43	0.0	-62.86	321.83	6.31	-56.55
CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(CC(=O)[O-])C(F)F	REAL300007009165	0	54	0.0	-65.61	411.18	10.03	-55.58
CCCCCC[N@H+](C)CC(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009167	0	47	0.0	-51.03	358.80	9.77	-41.26
CCCCCC[N@@H+](C)CC(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009167	1	47	0.0	-51.74	360.61	9.60	-42.14
CN(C(=O)C[N@H+](C)C1CCSC1)C(CC(=O)[O-])C(F)F	REAL300007009192	0	40	0.0	-61.70	314.15	8.23	-53.47
CN(C(=O)C[N@@H+](C)C1CCSC1)C(CC(=O)[O-])C(F)F	REAL300007009192	1	40	0.0	-59.13	315.10	8.24	-50.89
CC(C)[NH+]1CCN(CCC(=O)N(C)C(CC(=O)[O-])C(F)F)CC1	REAL300007009204	0	50	0.0	-63.49	372.16	7.04	-56.45
CC(C)N1CC[NH+](CCC(=O)N(C)C(CC(=O)[O-])C(F)F)CC1	REAL300007009204	1	50	0.0	-58.10	368.47	6.84	-51.26
CC(C)[NH+]1CCN(CCCC(=O)N(C)C(CC(=O)[O-])C(F)F)CC1	REAL300007009205	0	53	0.0	-65.05	391.22	8.06	-56.99
CC(C)N1CC[NH+](CCCC(=O)N(C)C(CC(=O)[O-])C(F)F)CC1	REAL300007009205	1	53	0.0	-61.65	390.05	7.65	-54.00
CN(C(=O)C1CCCC2CCC[N@@H+]21)C(CC(=O)[O-])C(F)F	REAL300007009206	0	43	0.0	-55.31	301.84	7.91	-47.40
CN(C(=O)C1CCCC2CCC[N@H+]21)C(CC(=O)[O-])C(F)F	REAL300007009206	1	43	0.0	-53.05	311.98	8.19	-44.86
CN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C(CC(=O)[O-])C(F)F	REAL300007009208	0	42	0.0	-76.11	335.12	6.96	-69.15
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C(CC(=O)[O-])C(F)F)CC2)=C1	REAL300007009211	0	54	0.0	-65.74	409.02	10.10	-55.64
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(CC(=O)[O-])C(F)F	REAL300007009213	0	51	0.0	-61.06	389.61	9.22	-51.84
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(CC(=O)[O-])C(F)F	REAL300007009216	0	48	0.0	-64.13	365.47	9.21	-54.92
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(CC(=O)[O-])C(F)F	REAL300007009216	1	48	0.0	-53.48	364.26	8.61	-44.87
CC(C(=O)N(C)C(CC(=O)[O-])C(F)F)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007009221	1	46	0.0	-56.29	345.19	10.27	-46.02
CC(C(=O)N(C)C(CC(=O)[O-])C(F)F)[N@H+]1CCC2=CC=CC=C2C1	REAL300007009221	1	46	0.0	-56.22	345.04	10.27	-45.95
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC(=O)[O-])C(F)F	REAL300007009243	0	49	0.0	-67.08	376.70	11.21	-55.87
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC(=O)[O-])C(F)F	REAL300007009243	1	49	0.0	-68.94	380.42	11.32	-57.62
CN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C(CC(=O)[O-])C(F)F	REAL300007009255	0	42	0.0	-82.72	337.41	7.74	-74.98
CN(C(=O)C1=CC=NN1CC[NH+](C)C)C(CC(=O)[O-])C(F)F	REAL300007009256	0	42	0.0	-54.27	329.26	7.22	-47.05
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009257	1	43	0.0	-54.31	341.06	9.28	-45.03
CN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C(CC(=O)[O-])C(F)F	REAL300007009260	1	43	0.0	-76.06	339.92	7.24	-68.82
CN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C(CC(=O)[O-])C(F)F	REAL300007009260	1	43	0.0	-75.17	338.50	7.29	-67.88
CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(CC(=O)[O-])C(F)F	REAL300007009269	0	49	0.0	-55.44	368.31	10.84	-44.60
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(CC(=O)[O-])C(F)F	REAL300007009269	1	49	0.0	-53.88	371.51	11.20	-42.68
CC(C[NH+]1CCOCC1)C(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009273	0	43	0.0	-62.38	323.10	6.74	-55.64
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(CC(=O)[O-])C(F)F	REAL300007009274	0	50	0.0	-60.57	387.34	8.63	-51.94
CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C(CC(=O)[O-])C(F)F	REAL300007009315	0	49	0.0	-58.34	357.81	9.91	-48.43
CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C(CC(=O)[O-])C(F)F	REAL300007009315	1	49	0.0	-62.71	355.47	9.74	-52.97
CN(C(=O)C1CCC2CCCC[N@@H+]21)C(CC(=O)[O-])C(F)F	REAL300007009331	0	43	0.0	-45.75	315.21	8.47	-37.28
CN(C(=O)C1CCC2CCCC[N@H+]21)C(CC(=O)[O-])C(F)F	REAL300007009331	1	43	0.0	-55.20	314.94	8.20	-47.00
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C(CC(=O)[O-])C(F)F	REAL300007009345	0	51	0.0	-75.81	389.21	8.82	-66.99
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(CC(=O)[O-])C(F)F	REAL300007009346	0	51	0.0	-78.72	388.17	8.22	-70.50
CN(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(CC(=O)[O-])C(F)F	REAL300007009346	1	51	0.0	-77.82	387.69	8.67	-69.15
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C(CC(=O)[O-])C(F)F)C=C1	REAL300007009347	0	52	0.0	-76.62	390.60	10.20	-66.42
CC(C)[NH+]1CCC(C(=O)N(C)C(CC(=O)[O-])C(F)F)CC1	REAL300007009353	0	45	0.0	-63.92	329.04	8.67	-55.25
CN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(CC(=O)[O-])C(F)F	REAL300007009439	0	53	0.0	-81.62	402.84	8.53	-73.09
CN(C(=O)C1=CC(C[NH+](C)C)=CC=C1)C(CC(=O)[O-])C(F)F	REAL300007009443	0	42	0.0	-67.71	332.03	9.07	-58.64
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(CC(=O)[O-])C(F)F	REAL300007009444	0	49	0.0	-45.90	358.49	10.42	-35.48
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(CC(=O)[O-])C(F)F	REAL300007009444	1	49	0.0	-57.34	364.35	11.09	-46.25
C#CC[NH+]1CCC(C(=O)N(C)C(CC(=O)[O-])C(F)F)CC1	REAL300007009488	0	41	0.0	-69.61	318.69	8.59	-61.02
CC[NH+]1CCN(CCC(=O)N(C)C(CC(=O)[O-])C(F)F)CC1	REAL300007009491	0	47	0.0	-67.02	351.81	6.60	-60.42
CCN1CC[NH+](CCC(=O)N(C)C(CC(=O)[O-])C(F)F)CC1	REAL300007009491	1	47	0.0	-61.32	353.42	6.76	-54.56
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009498	1	43	0.0	-56.63	339.82	9.24	-47.39
CC(C(=O)N(C)C(CC(=O)[O-])C(F)F)[NH+]1CCCCCC1	REAL300007009527	0	45	0.0	-50.16	320.01	8.64	-41.52
CN(C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(CC(=O)[O-])C(F)F	REAL300007009557	1	47	0.0	-78.95	365.51	9.84	-69.11
CN(C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(CC(=O)[O-])C(F)F	REAL300007009557	1	47	0.0	-77.44	363.86	9.86	-67.58
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C(CC(=O)[O-])C(F)F)O1	REAL300007009600	0	45	0.0	-71.62	349.70	8.68	-62.94
CN(C(=O)CCCC[NH+]1CCCC1)C(CC(=O)[O-])C(F)F	REAL300007009601	0	45	0.0	-67.87	346.13	9.42	-58.45
CC1=CC=C(N2CCC(C(=O)N(C)C(CC(=O)[O-])C(F)F)CC2)[NH+]=C1	REAL300007009603	1	48	0.0	-65.50	365.94	8.66	-56.84
CN(C(=O)C[N@H+](C)CC1=CC=CC=C1)C(CC(=O)[O-])C(F)F	REAL300007009604	1	42	0.0	-53.71	333.55	9.44	-44.27
CN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C(CC(=O)[O-])C(F)F	REAL300007009604	1	42	0.0	-58.42	331.47	9.61	-48.81
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C(CC(=O)[O-])C(F)F)C=C2)CC1	REAL300007009608	0	54	0.0	-78.81	397.09	9.46	-69.35
CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(CC(=O)[O-])C(F)F	REAL300007009619	1	37	0.0	-73.42	308.96	7.45	-65.97
CN(C(=O)C1=NOC(C[NH+](C)C)=C1)C(CC(=O)[O-])C(F)F	REAL300007009641	1	38	0.0	-73.75	312.04	7.13	-66.62
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009647	0	49	0.0	-56.89	376.60	10.99	-45.90
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C(CC(=O)[O-])C(F)F	REAL300007009647	1	49	0.0	-57.05	376.89	10.94	-46.11
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(CC(=O)[O-])C(F)F	REAL300007009667	0	50	0.0	-77.99	398.44	10.29	-67.70
CN(C(=O)COC1CC[NH+](C)CC1)C(CC(=O)[O-])C(F)F	REAL300007009678	0	43	0.0	-73.89	334.76	8.06	-65.83
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(CC(=O)[O-])C(F)F	REAL300007009684	0	46	0.0	-72.55	358.87	9.72	-62.83
CCC[N@@H+]1CCCC(C(=O)N(C)C(CC(=O)[O-])C(F)F)C1	REAL300007009820	0	45	0.0	-47.71	330.54	8.26	-39.45
CCC[N@H+]1CCCC(C(=O)N(C)C(CC(=O)[O-])C(F)F)C1	REAL300007009820	1	45	0.0	-56.90	333.88	8.83	-48.07
CN(C(=O)C[NH+]1CCC(CO)CC1)C(CC(=O)[O-])C(F)F	REAL300007009849	1	43	0.0	-50.97	330.95	5.00	-45.97
CC(C)[N@@H+]1CCCC(C(=O)N(C)C(CC(=O)[O-])C(F)F)C1	REAL300007010018	0	45	0.0	-45.61	319.85	8.40	-37.21
CC(C)[N@H+]1CCCC(C(=O)N(C)C(CC(=O)[O-])C(F)F)C1	REAL300007010018	1	45	0.0	-54.98	322.72	8.74	-46.24
CN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C(CC(=O)[O-])C(F)F	REAL300007010019	0	39	0.0	-65.70	297.57	7.40	-58.30
CN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(CC(=O)[O-])C(F)F	REAL300007010019	1	39	0.0	-67.29	310.11	7.20	-60.09
CC1=C(C)[NH+]=C(CCC(=O)N(C)C(CC(=O)[O-])C(F)F)N1	REAL300007010043	1	40	0.0	-57.33	325.05	7.39	-49.94
CN(C(=O)C1=CC(CC[NH+](C)C)=CC=C1)C(CC(=O)[O-])C(F)F	REAL300007010400	0	45	0.0	-76.08	353.03	10.23	-65.85
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(CC(=O)[O-])C(F)F	REAL300007010405	0	46	0.0	-78.91	359.41	9.15	-69.76
CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(CC(=O)[O-])C(F)F	REAL300007010486	0	52	0.0	-59.80	396.59	11.83	-47.97
CC1C[N@H+](CC2=CC=C(C(=O)N(C)C(CC(=O)[O-])C(F)F)C=C2)CCO1	REAL300007010488	1	50	0.0	-80.30	379.07	9.16	-71.14
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)C(CC(=O)[O-])C(F)F)C=C2)CCO1	REAL300007010488	1	50	0.0	-79.26	377.76	9.15	-70.11
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(CC(=O)[O-])C(F)F	REAL300007010513	0	45	0.0	-62.59	324.42	8.34	-54.25
CC1=[NH+]C=C2C=CC(C(=O)N(C)C(CC(=O)[O-])C(F)F)=CN12	REAL300007010518	0	37	0.0	-63.99	311.75	8.95	-55.04
CC(C)C[N@@H+]1CCCC(C(=O)N(C)C(CC(=O)[O-])C(F)F)C1	REAL300007010565	0	48	0.0	-57.60	353.19	9.29	-48.31
CC(C)C[N@H+]1CCCC(C(=O)N(C)C(CC(=O)[O-])C(F)F)C1	REAL300007010565	1	48	0.0	-49.75	347.55	9.46	-40.29
CN(C(=O)C1=CC=C(C[NH+](C)C)O1)C(CC(=O)[O-])C(F)F	REAL300007010570	1	39	0.0	-75.89	316.52	7.80	-68.09
CN(C(=O)C12CC(C1)C[N@@H+]2C1CC1)C(CC(=O)[O-])C(F)F	REAL300007010577	1	41	0.0	-56.47	309.55	8.37	-48.10
CN(C(=O)C12CC(C1)C[N@H+]2C1CC1)C(CC(=O)[O-])C(F)F	REAL300007010577	1	41	0.0	-52.60	307.95	8.28	-44.32
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)S1	REAL300007011762	0	51	0.0	-91.74	406.10	11.88	-79.86
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)S1	REAL300007012415	1	48	0.0	-82.52	390.32	11.36	-71.16
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)S1	REAL300007012415	1	48	0.0	-79.54	382.77	10.77	-68.77
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[NH+](C3CC3)CC2)S1	REAL300007013322	0	45	0.0	-85.94	354.45	9.51	-76.43
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+]2C2CC2)S1	REAL300007013349	1	42	0.0	-77.36	342.47	9.18	-68.18
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+]2C2CC2)S1	REAL300007013349	1	42	0.0	-81.68	335.61	8.53	-73.15
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)CN21	REAL300007013355	1	43	0.0	-77.18	352.67	9.39	-67.79
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)S1	REAL300007013356	0	51	0.0	-80.11	408.60	11.78	-68.33
C[N@@H+]1CCCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007013438	1	41	0.0	-80.97	317.70	8.06	-72.91
C[N@H+]1CCCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007013438	1	41	0.0	-81.01	317.70	8.06	-72.95
CC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)N1CC[NH+](C)CC1	REAL300007013439	1	46	0.0	-82.28	358.30	6.49	-75.79
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007013483	1	41	0.0	-78.34	327.00	8.25	-70.09
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007013483	1	41	0.0	-81.01	317.69	8.06	-72.95
CC1(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007013541	0	54	0.0	-81.73	418.79	12.28	-69.45
C[NH+]1CCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007013574	0	41	0.0	-88.79	329.60	8.31	-80.48
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)S1	REAL300007013600	0	36	0.0	-83.67	315.17	10.16	-73.51
C[NH+](C)CC1(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CCCCC1	REAL300007013633	0	50	0.0	-87.64	369.39	10.24	-77.40
C[N@H+](CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCCCC1	REAL300007013638	0	50	0.0	-86.55	383.45	10.24	-76.31
C[N@@H+](CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCCCC1	REAL300007013638	1	50	0.0	-86.56	383.46	10.25	-76.31
C[NH+]1CCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007013709	0	41	0.0	-88.79	329.60	8.31	-80.48
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)S1	REAL300007013714	0	44	0.0	-91.04	374.23	9.28	-81.76
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)S1	REAL300007013737	0	51	0.0	-78.39	377.68	10.57	-67.82
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)S1	REAL300007013737	1	51	0.0	-78.28	377.69	10.57	-67.71
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)S1	REAL300007013738	0	52	0.0	-90.48	396.75	8.91	-81.57
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007013771	1	42	0.0	-80.89	356.00	9.56	-71.33
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC[NH+]2CCOCC2)S1	REAL300007013772	1	48	0.0	-87.98	383.30	8.25	-79.73
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300007013775	0	53	0.0	-91.38	403.65	11.41	-79.97
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300007013775	1	53	0.0	-88.86	402.51	11.33	-77.53
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300007013824	0	48	0.0	-85.27	388.16	11.03	-74.24
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300007013824	1	48	0.0	-86.63	388.62	11.06	-75.57
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)S1	REAL300007013825	0	49	0.0	-92.87	384.82	10.28	-82.59
C[NH+]1CCN(C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C2=CC=CC=C2)CC1	REAL300007013851	1	53	0.0	-79.20	418.45	9.95	-69.25
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)S1	REAL300007013852	0	52	0.0	-86.54	381.78	8.50	-78.04
CCC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+](CC)CC	REAL300007013856	0	46	0.0	-75.17	350.86	9.01	-66.16
CC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[N@H+](C)CC1=CC=CC=C1	REAL300007013858	1	47	0.0	-84.18	379.95	10.65	-73.53
CC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[N@@H+](C)CC1=CC=CC=C1	REAL300007013858	1	47	0.0	-83.77	379.92	10.67	-73.10
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)S1	REAL300007013870	0	54	0.0	-88.24	428.71	12.69	-75.55
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)S1	REAL300007013870	1	54	0.0	-79.07	422.44	12.91	-66.16
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=N1	REAL300007013892	0	43	0.0	-88.89	358.95	8.28	-80.61
CCC[NH+](CCC)CCCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007013901	0	52	0.0	-84.88	403.12	10.58	-74.30
CC[N@H+](C)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007013902	1	47	0.0	-80.45	372.45	10.58	-69.87
CC[N@@H+](C)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007013902	1	47	0.0	-77.27	378.44	10.77	-66.50
CC[NH+](CC)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007013907	0	50	0.0	-79.93	386.70	10.94	-68.99
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007013916	1	42	0.0	-77.65	350.68	9.39	-68.26
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)S1	REAL300007013934	0	48	0.0	-92.13	387.97	11.30	-80.83
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)S1	REAL300007013942	0	51	0.0	-84.21	404.72	12.00	-72.21
C[NH+](C)CC1(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007013948	0	41	0.0	-88.64	332.43	8.50	-80.14
C[NH+](C)CCCCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007013957	0	43	0.0	-86.10	350.40	8.79	-77.31
CC(C)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+](C)C	REAL300007013966	0	43	0.0	-81.06	334.62	8.65	-72.41
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)S1	REAL300007013979	1	51	0.0	-80.12	403.73	11.80	-68.32
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)S1	REAL300007013979	1	51	0.0	-80.18	403.64	11.80	-68.38
CC1=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=NN1C1=CC=[NH+]C=C1	REAL300007013981	1	42	0.0	-89.63	359.17	8.51	-81.12
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)S1	REAL300007013989	0	51	0.0	-92.33	404.71	12.01	-80.32
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)S1	REAL300007014003	1	44	0.0	-86.81	368.41	8.76	-78.05
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=C1	REAL300007014004	0	47	0.0	-93.80	385.64	11.00	-82.80
C[N@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCC1	REAL300007014049	0	41	0.0	-80.62	331.26	8.64	-71.98
C[N@@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCC1	REAL300007014049	1	41	0.0	-81.09	331.17	8.64	-72.45
C[N@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)CC(C)(C)C	REAL300007014079	0	46	0.0	-83.36	352.88	9.06	-74.30
C[N@@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)CC(C)(C)C	REAL300007014079	1	46	0.0	-83.28	354.81	9.20	-74.08
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014081	1	47	0.0	-87.04	384.17	11.09	-75.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014081	1	47	0.0	-87.11	384.18	11.09	-76.02
COCCOCC[N@H+](C)CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014082	0	51	0.0	-85.67	413.16	7.28	-78.39
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014082	1	51	0.0	-86.98	413.21	7.28	-79.70
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007014087	0	45	0.0	-77.94	345.69	6.71	-71.23
C[N@H+]1CCCC(O)(CC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007014087	1	45	0.0	-83.91	342.77	6.83	-77.08
CCCCCC[N@H+](C)CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014111	0	49	0.0	-84.86	388.77	10.41	-74.45
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014111	1	49	0.0	-84.91	388.77	10.42	-74.49
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CCC[NH+]2CCC3)S1	REAL300007014121	0	42	0.0	-84.12	329.72	8.62	-75.50
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)S1	REAL300007014129	1	36	0.0	-89.89	315.43	10.17	-79.72
C[N@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCSC1	REAL300007014145	1	42	0.0	-88.34	344.53	8.89	-79.45
C[N@@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCSC1	REAL300007014145	1	42	0.0	-87.51	344.30	8.91	-78.60
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007014162	0	52	0.0	-83.34	400.39	7.83	-75.51
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007014163	0	55	0.0	-80.86	421.88	8.63	-72.23
CC(C)N1CC[NH+](CCCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007014163	1	55	0.0	-85.69	418.70	8.46	-77.23
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC3CCC[N@@H+]32)S1	REAL300007014164	0	45	0.0	-79.88	341.64	9.20	-70.68
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC3CCC[N@H+]32)S1	REAL300007014164	1	45	0.0	-74.60	349.75	9.48	-65.12
C[NH+](C)CCN1C=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=N1	REAL300007014166	0	44	0.0	-90.55	369.31	8.16	-82.39
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)S1	REAL300007014175	0	53	0.0	-90.35	417.83	9.99	-80.36
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)S1	REAL300007014178	0	50	0.0	-87.40	394.85	10.28	-77.12
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)S1	REAL300007014178	1	50	0.0	-87.37	394.81	10.28	-77.09
CCCC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+](C)C	REAL300007014204	0	43	0.0	-82.26	339.15	8.56	-73.70
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300007014206	0	51	0.0	-90.21	410.54	11.85	-78.36
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300007014206	1	51	0.0	-90.22	410.61	11.87	-78.35
C[NH+](C)CCN1C=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=N1	REAL300007014221	0	44	0.0	-95.80	369.69	8.17	-87.63
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014222	0	44	0.0	-71.47	364.59	8.13	-63.34
C[C@@H]1[C@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC[N@@H+]1C	REAL300007014228	0	41	0.0	-86.05	322.62	7.81	-78.24
C[C@@H]1[C@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC[N@H+]1C	REAL300007014228	1	41	0.0	-87.05	327.94	7.88	-79.17
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014230	1	45	0.0	-78.09	370.98	9.87	-68.22
CC[C@@H]1[C@@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC[N@@H+]1C	REAL300007014233	0	44	0.0	-85.41	341.98	8.31	-77.10
CC[C@@H]1[C@@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC[N@H+]1C	REAL300007014233	1	44	0.0	-84.26	350.71	8.90	-75.36
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=NN1	REAL300007014236	1	45	0.0	-89.02	370.78	7.74	-81.28
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=NN1	REAL300007014236	1	45	0.0	-86.11	366.10	7.25	-78.86
CC1=[NH+]C=CN1CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014255	1	36	0.0	-78.64	314.47	8.27	-70.37
CC(C[NH+]1CCOCC1)C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014257	1	45	0.0	-85.32	356.34	7.37	-77.95
CC1CC[NH+](CC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007014272	1	44	0.0	-84.27	348.00	9.14	-75.13
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)S1	REAL300007014324	0	51	0.0	-82.98	390.50	10.57	-72.41
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)S1	REAL300007014324	1	51	0.0	-83.95	389.68	10.53	-73.42
C[N@@H+]1CCCC1CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014331	0	44	0.0	-82.41	346.93	8.67	-73.74
C[N@H+]1CCCC1CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014331	1	44	0.0	-82.41	346.99	8.68	-73.73
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CCC[NH+](CCC2)C3)S1	REAL300007014344	0	45	0.0	-83.19	342.43	8.84	-74.35
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014346	1	42	0.0	-88.11	329.54	4.61	-83.50
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014346	1	42	0.0	-89.38	332.69	4.80	-84.58
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC3CCCC[N@@H+]32)S1	REAL300007014347	0	45	0.0	-79.64	345.91	9.13	-70.51
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC3CCCC[N@H+]32)S1	REAL300007014347	1	45	0.0	-76.88	352.90	9.58	-67.30
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014354	1	48	0.0	-80.26	365.83	7.74	-72.52
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=N1	REAL300007014359	0	51	0.0	-92.46	392.98	8.80	-83.66
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=N1	REAL300007014359	1	51	0.0	-88.34	391.07	8.71	-79.63
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)=C2)CC1	REAL300007014363	0	53	0.0	-81.20	421.84	9.57	-71.63
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)C=C2)CC1	REAL300007014364	0	53	0.0	-87.85	421.77	9.58	-78.27
CN1CC[NH+](CC2=CC=C(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)C=C2)CC1	REAL300007014364	1	53	0.0	-93.23	421.23	9.45	-83.78
CC(C)[NH+]1CCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007014373	0	47	0.0	-85.67	360.27	9.26	-76.41
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC[NH+](CC2)C3)S1	REAL300007014454	0	39	0.0	-86.35	316.57	7.18	-79.17
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC[N@H+](C2)CCC3)S1	REAL300007014464	0	42	0.0	-84.69	327.01	7.86	-76.83
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC[N@@H+](C2)CCC3)S1	REAL300007014464	1	42	0.0	-84.52	326.69	7.87	-76.65
CC1CCC(C)[NH+]1CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014513	0	44	0.0	-79.21	342.07	8.53	-70.68
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=C1	REAL300007014514	0	44	0.0	-85.17	363.15	10.15	-75.02
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300007014515	0	51	0.0	-81.05	399.92	12.04	-69.01
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300007014515	1	51	0.0	-81.00	399.88	12.04	-68.96
C[NH+](C)C1(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CCC1	REAL300007014555	0	41	0.0	-76.97	318.52	8.23	-68.74
C#CC[NH+]1CCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007014588	0	43	0.0	-89.35	354.28	9.46	-79.89
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014590	0	47	0.0	-80.36	356.87	9.46	-70.90
CCC[N@H+]1CCCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014590	1	47	0.0	-80.38	356.87	9.46	-70.92
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014591	0	44	0.0	-67.78	355.83	10.38	-57.40
CC[NH+]1CCN(CCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007014593	0	49	0.0	-85.73	382.48	7.17	-78.56
CC(C)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+]1CCCCC1	REAL300007014595	0	50	0.0	-79.70	377.16	10.48	-69.22
C[NH+](C)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007014596	1	44	0.0	-78.80	359.70	10.14	-68.66
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300007014600	0	49	0.0	-81.54	398.89	8.09	-73.45
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300007014600	1	49	0.0	-82.51	398.31	8.13	-74.38
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014606	1	45	0.0	-77.57	370.46	9.81	-67.76
C[NH+](C)CC1=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)OC2=CC=CC=C21	REAL300007014607	0	47	0.0	-70.43	390.31	10.50	-59.93
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)S1	REAL300007014612	0	48	0.0	-83.57	361.69	9.86	-73.71
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+]2C2CCCC2)S1	REAL300007014612	1	48	0.0	-80.41	370.59	10.05	-70.36
CC[N@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CC1	REAL300007014614	1	41	0.0	-79.39	334.20	8.69	-70.70
CC[N@@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CC1	REAL300007014614	1	41	0.0	-80.66	331.39	8.64	-72.02
CC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+]1CCCCCC1	REAL300007014644	0	47	0.0	-77.93	354.06	9.10	-68.83
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)=CC=C1N2	REAL300007014686	1	49	0.0	-89.00	397.96	10.58	-78.42
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)=CC=C1N2	REAL300007014686	1	49	0.0	-88.83	398.17	10.56	-78.27
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)O1	REAL300007014737	0	47	0.0	-87.79	385.45	9.83	-77.96
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC[NH+]2CCCC2)S1	REAL300007014738	0	47	0.0	-84.58	376.37	9.97	-74.61
CC1=CC=C(N2CCC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)CC2)[NH+]=C1	REAL300007014740	1	50	0.0	-83.15	399.06	9.73	-73.42
C[N@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)CC1=CC=CC=C1	REAL300007014741	1	44	0.0	-88.63	361.70	10.25	-78.38
C[N@@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)CC1=CC=CC=C1	REAL300007014741	1	44	0.0	-88.55	361.74	10.25	-78.30
CC(C)[C@@H](C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+](C)C	REAL300007014752	0	43	0.0	-81.23	334.20	8.75	-72.48
C[NH+](C)CC1=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=NO1	REAL300007014800	1	40	0.0	-88.31	344.12	7.70	-80.61
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014804	0	51	0.0	-87.85	406.54	11.62	-76.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014804	1	51	0.0	-90.48	410.63	11.73	-78.75
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014820	0	44	0.0	-80.63	337.43	8.71	-71.92
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007014820	1	44	0.0	-80.73	337.33	8.69	-72.04
C[NH+]1CCC(OCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007014846	0	45	0.0	-90.26	364.98	8.65	-81.61
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)S1	REAL300007014851	0	48	0.0	-89.67	391.14	10.35	-79.32
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007015045	0	47	0.0	-82.82	368.77	9.67	-73.15
CCC[N@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007015045	1	47	0.0	-75.92	362.53	9.88	-66.04
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007015077	0	47	0.0	-82.27	359.62	9.74	-72.53
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007015077	1	47	0.0	-79.41	369.69	9.86	-69.55
O=C([O-])C1=C(C2CC2)C=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)S1	REAL300007015185	0	52	0.0	-92.25	413.72	12.12	-80.13
O=C([O-])C1=C(C2CC2)C=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)S1	REAL300007015185	1	52	0.0	-93.67	415.92	12.09	-81.58
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007015316	0	47	0.0	-81.04	363.95	9.44	-71.60
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007015316	1	47	0.0	-75.26	357.69	9.65	-65.61
C[N@@H+]1CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C(C(F)(F)F)C1	REAL300007015317	0	41	0.0	-88.56	348.23	8.47	-80.09
C[N@H+]1CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C(C(F)(F)F)C1	REAL300007015317	1	41	0.0	-89.05	342.42	8.13	-80.92
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)N1	REAL300007015343	1	42	0.0	-78.94	355.27	7.94	-71.00
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=C1	REAL300007015840	0	47	0.0	-85.81	385.65	10.99	-74.82
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=C1	REAL300007015847	0	48	0.0	-91.80	392.94	9.93	-81.87
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)S1	REAL300007015944	0	54	0.0	-85.36	424.78	12.60	-72.76
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007015990	0	41	0.0	-83.96	334.78	8.38	-75.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007015994	0	47	0.0	-76.94	357.33	9.35	-67.59
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)=CN21	REAL300007015998	0	39	0.0	-79.86	336.59	9.93	-69.93
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007016064	0	50	0.0	-77.04	377.20	10.53	-66.51
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007016064	1	50	0.0	-76.75	379.97	10.56	-66.19
CC[N@@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007016065	0	44	0.0	-75.53	341.03	9.13	-66.40
CC[N@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007016065	1	44	0.0	-75.55	341.01	9.13	-66.42
C[N@@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007016069	0	41	0.0	-75.41	323.37	8.48	-66.93
C[N@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007016069	1	41	0.0	-83.92	329.63	8.27	-75.65
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)O1	REAL300007016071	1	41	0.0	-90.45	348.48	8.38	-82.07
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007016077	0	50	0.0	-87.00	367.39	9.32	-77.68
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007016077	1	50	0.0	-85.93	375.04	9.77	-76.16
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)S1	REAL300007016080	1	43	0.0	-81.60	350.12	9.10	-72.50
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)S1	REAL300007016080	1	43	0.0	-84.03	342.06	9.74	-74.29
COC1CC2(CC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C1	REAL300007016152	0	51	0.0	-48.70	387.45	7.29	-41.41
COC1CC2(CC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C1	REAL300007016152	1	51	0.0	-49.43	387.88	7.31	-42.12
O=C([O-])C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007016952	0	57	0.0	-75.49	430.93	12.59	-62.90
C[NH+](C)CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007016998	0	46	0.0	-69.99	361.40	9.76	-60.23
CC(C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)N1CC[NH+](C)CC1	REAL300007016999	1	58	0.0	-64.28	439.08	10.20	-54.08
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017016	0	53	0.0	-65.33	403.19	11.37	-53.96
C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017016	1	53	0.0	-67.59	394.24	11.19	-56.40
C[NH+]1CCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300007017034	0	53	0.0	-78.82	406.08	11.38	-67.44
O=C([O-])C[C@H](NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017053	0	48	0.0	-74.56	391.42	13.24	-61.32
C[N@@H+]1CCCC1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017076	0	50	0.0	-53.15	394.07	11.36	-41.79
C[N@H+]1CCCC1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017076	1	50	0.0	-48.99	388.15	11.08	-37.91
C[NH+]1CCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300007017101	0	53	0.0	-78.82	406.08	11.38	-67.44
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C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)[NH+](C)C	REAL300007017122	0	49	0.0	-67.53	378.93	10.21	-57.32
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O=C([O-])C1=NNC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C1C1CC1	REAL300007029949	1	50	0.0	-86.80	387.38	8.94	-77.86
O=C([O-])C1=NNC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C1C1CC1	REAL300007029975	0	51	0.0	-87.71	400.59	10.49	-77.22
O=C([O-])C1=NNC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C1C1CC1	REAL300007029975	1	51	0.0	-88.41	402.76	10.57	-77.84
C[NH+](C)CCN1C=CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=N1	REAL300007029989	0	44	0.0	-91.19	362.26	6.85	-84.34
C[NH+](C)CCN1C=CC(C(=O)NC2=NNC(C(=O)[O-])=C2C2CC2)=N1	REAL300007029989	1	44	0.0	-84.13	364.34	6.68	-77.45
C[NH+](C)CCN1N=CC=C1C(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007029990	0	44	0.0	-72.73	356.16	6.76	-65.97
C[NH+](C)CCN1N=CC=C1C(=O)NC1=NNC(C(=O)[O-])=C1C1CC1	REAL300007029990	1	44	0.0	-62.03	359.06	6.61	-55.42
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007029991	1	45	0.0	-76.41	363.49	8.53	-67.88
CC[C@@H]1[C@@H](C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)CC[N@@H+]1C	REAL300007029994	0	44	0.0	-83.83	333.81	6.95	-76.88
CC[C@@H]1[C@@H](C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)CC[N@H+]1C	REAL300007029994	1	44	0.0	-81.17	338.15	7.59	-73.58
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=NN1	REAL300007029997	1	45	0.0	-86.07	363.46	6.41	-79.66
C[N@H+]1CCCC1C1=CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=NN1	REAL300007029997	1	45	0.0	-83.85	358.57	5.87	-77.98
CC1C[N@H+](C)CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)O1	REAL300007030004	1	42	0.0	-91.03	329.53	6.41	-84.62
CC1C[N@@H+](C)CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)O1	REAL300007030004	1	42	0.0	-93.14	329.03	5.98	-87.16
O=C([O-])C1=NNC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=C1C1CC1	REAL300007030008	0	51	0.0	-87.29	398.99	10.77	-76.52
O=C([O-])C1=NNC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=C1C1CC1	REAL300007030008	1	51	0.0	-83.13	398.87	10.77	-72.36
CC(C[NH+]1CCOCC1)C(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030013	1	45	0.0	-84.40	348.85	6.05	-78.35
O=C([O-])C1=NNC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=C1C1CC1	REAL300007030014	0	52	0.0	-89.72	408.24	8.08	-81.64
CC1CC[NH+](CC(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)CC1	REAL300007030024	1	44	0.0	-83.65	339.90	7.78	-75.87
CC[N@@H+]1CCOC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C1	REAL300007030037	1	42	0.0	-82.98	325.75	6.16	-76.82
CC[N@H+]1CCOC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C1	REAL300007030037	1	42	0.0	-81.15	325.83	6.17	-74.98
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)CC1	REAL300007030068	1	51	0.0	-89.52	399.33	8.88	-80.64
O=C([O-])C1=NNC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=C1C1CC1	REAL300007030069	0	51	0.0	-82.43	382.40	9.19	-73.24
O=C([O-])C1=NNC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=C1C1CC1	REAL300007030069	1	51	0.0	-82.23	383.17	9.25	-72.98
C[N@@H+]1CCCC1CCC(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030076	0	44	0.0	-85.55	345.12	7.82	-77.73
C[N@H+]1CCCC1CCC(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030076	1	44	0.0	-81.24	338.87	7.31	-73.93
O=C([O-])C1=NNC(NC(=O)C2CCC3CCCC[N@@H+]32)=C1C1CC1	REAL300007030088	0	45	0.0	-78.33	338.49	7.81	-70.52
O=C([O-])C1=NNC(NC(=O)C2CCC3CCCC[N@H+]32)=C1C1CC1	REAL300007030088	1	45	0.0	-77.97	338.79	7.78	-70.19
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)=C2)CC1	REAL300007030102	0	53	0.0	-78.71	414.31	8.25	-70.46
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)C=C2)CC1	REAL300007030103	0	53	0.0	-83.71	414.31	8.26	-75.45
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C=C1	REAL300007030104	0	54	0.0	-85.60	420.17	9.91	-75.69
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=NNC(C(=O)[O-])=C2C2CC2)C=C1	REAL300007030104	1	54	0.0	-77.14	418.40	9.50	-67.64
CC(C)[NH+]1CCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)CC1	REAL300007030112	0	47	0.0	-83.71	356.56	8.17	-75.54
O=C([O-])C1=NNC(NC(=O)C23CC[N@H+](C2)CCC3)=C1C1CC1	REAL300007030185	0	42	0.0	-82.81	319.43	6.56	-76.25
O=C([O-])C1=NNC(NC(=O)C23CC[N@@H+](C2)CCC3)=C1C1CC1	REAL300007030185	1	42	0.0	-88.41	318.55	6.65	-81.76
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)=C1C1CC1	REAL300007030221	0	55	0.0	-90.75	428.92	7.99	-82.76
O=C([O-])C1=C(C2CC2)C(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)=NN1	REAL300007030221	1	55	0.0	-83.37	431.08	7.80	-75.57
CC1CCC(C)[NH+]1CC(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030228	0	44	0.0	-79.28	335.46	7.43	-71.85
C[NH+](C)CC1=CC=CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=C1	REAL300007030229	0	44	0.0	-83.26	355.78	8.80	-74.46
C[NH+](C)CC1=CC=CC(C(=O)NC2=NNC(C(=O)[O-])=C2C2CC2)=C1	REAL300007030229	1	44	0.0	-75.11	357.72	8.64	-66.47
O=C([O-])C1=NNC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=C1C1CC1	REAL300007030230	0	51	0.0	-81.02	392.47	10.71	-70.31
O=C([O-])C1=NNC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=C1C1CC1	REAL300007030230	1	51	0.0	-81.02	392.55	10.71	-70.31
C#CC[NH+]1CCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)CC1	REAL300007030281	0	43	0.0	-87.14	346.77	8.13	-79.01
CC[NH+]1CCN(CCC(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)CC1	REAL300007030283	0	49	0.0	-81.96	375.78	5.95	-76.01
CCN1CC[NH+](CCC(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)CC1	REAL300007030283	1	49	0.0	-85.40	376.15	5.98	-79.42
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030290	1	45	0.0	-76.06	362.95	8.48	-67.58
CC(C(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1)[NH+]1CCCCCC1	REAL300007030321	0	47	0.0	-77.44	346.32	7.75	-69.69
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)=CC=C1N2	REAL300007030356	1	49	0.0	-86.18	390.86	9.20	-76.98
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)=CC=C1N2	REAL300007030356	1	49	0.0	-86.21	390.84	9.22	-76.99
CC[NH+](CC)CC1=CC=C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)O1	REAL300007030400	0	47	0.0	-83.30	376.59	8.49	-74.81
O=C(CCCC[NH+]1CCCC1)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030401	0	47	0.0	-82.52	368.87	8.64	-73.88
O=C(CCCC[NH+]1CCCC1)NC1=NNC(C(=O)[O-])=C1C1CC1	REAL300007030401	1	47	0.0	-73.69	370.98	8.48	-65.21
CC1=CC=C(N2CCC(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)CC2)[NH+]=C1	REAL300007030403	1	50	0.0	-79.63	391.58	8.39	-71.24
C[N@H+](CC(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1)CC1=CC=CC=C1	REAL300007030404	1	44	0.0	-88.25	354.20	8.92	-79.33
C[N@@H+](CC(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1)CC1=CC=CC=C1	REAL300007030404	1	44	0.0	-88.29	354.37	8.93	-79.36
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)C=C2)CC1	REAL300007030408	0	56	0.0	-86.29	423.82	9.18	-77.11
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=NNC(C(=O)[O-])=C3C3CC3)C=C2)CC1	REAL300007030408	1	56	0.0	-79.69	425.74	9.01	-70.68
C[NH+](C)CC1=CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=NO1	REAL300007030448	1	40	0.0	-86.39	336.75	6.36	-80.03
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030452	0	51	0.0	-86.25	398.88	10.30	-75.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030452	1	51	0.0	-86.68	403.48	10.43	-76.25
CC(C)[N@@H+]1CCCC1C(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030470	0	44	0.0	-77.01	336.75	7.42	-69.59
CC(C)[N@H+]1CCCC1C(=O)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030470	1	44	0.0	-79.09	329.43	7.34	-71.75
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C=C1	REAL300007030477	0	52	0.0	-86.05	419.31	9.76	-76.29
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=NNC(C(=O)[O-])=C2C2CC2)C=C1	REAL300007030477	1	52	0.0	-79.54	421.51	9.59	-69.95
C[NH+]1CCC(OCC(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)CC1	REAL300007030492	0	45	0.0	-86.65	357.49	7.33	-79.32
C[NH+]1CCC(OCC(=O)NC2=NNC(C(=O)[O-])=C2C2CC2)CC1	REAL300007030492	1	45	0.0	-78.84	359.60	7.22	-71.62
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C1C1CC1	REAL300007030498	0	48	0.0	-85.33	382.69	8.92	-76.41
CCC[N@@H+]1CCCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C1	REAL300007030646	0	47	0.0	-81.67	361.35	8.34	-73.33
CCC[N@H+]1CCCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C1	REAL300007030646	1	47	0.0	-76.48	355.18	8.54	-67.94
CC(C)[N@@H+]1CCCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C1	REAL300007030860	0	47	0.0	-75.21	350.36	8.32	-66.89
CC(C)[N@H+]1CCCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C1	REAL300007030860	1	47	0.0	-75.47	350.27	8.31	-67.16
C[N@@H+]1CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C(C(F)(F)F)C1	REAL300007030861	0	41	0.0	-91.85	332.28	6.82	-85.03
C[N@H+]1CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C(C(F)(F)F)C1	REAL300007030861	1	41	0.0	-90.04	330.97	6.99	-83.05
CC1=C(C)[NH+]=C(CCC(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)N1	REAL300007030883	1	42	0.0	-77.47	347.78	6.61	-70.86
C[NH+](C)CCC1=CC=CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=C1	REAL300007031281	0	47	0.0	-83.50	378.27	9.65	-73.85
C[NH+](C)CCC1=CC=CC(C(=O)NC2=NNC(C(=O)[O-])=C2C2CC2)=C1	REAL300007031281	1	47	0.0	-75.93	380.22	9.47	-66.46
C[NH+](C)CCOC1=CC=C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C=C1	REAL300007031289	0	48	0.0	-86.88	384.80	8.60	-78.28
C[NH+](C)CCOC1=CC=C(C(=O)NC2=NNC(C(=O)[O-])=C2C2CC2)C=C1	REAL300007031289	1	48	0.0	-79.01	386.97	8.44	-70.57
O=C([O-])C1=NNC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=C1C1CC1	REAL300007031382	0	54	0.0	-84.27	417.45	11.26	-73.01
O=C([O-])C1=C(C2CC2)C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=NN1	REAL300007031382	1	54	0.0	-74.70	419.35	11.10	-63.60
CC1C[N@H+](CC2=CC=C(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)C=C2)CCO1	REAL300007031384	1	52	0.0	-90.65	403.18	8.99	-81.66
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)C=C2)CCO1	REAL300007031384	1	52	0.0	-90.78	403.24	8.99	-81.79
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)CC1	REAL300007031414	0	47	0.0	-75.67	349.97	8.00	-67.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=NNC(C(=O)[O-])=C2C2CC2)CC1	REAL300007031414	1	47	0.0	-66.81	351.95	7.85	-58.96
CC1=[NH+]C=C2C=CC(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)=CN21	REAL300007031418	0	39	0.0	-77.66	329.27	8.61	-69.05
CC(C)C[N@@H+]1CCCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C1	REAL300007031469	0	50	0.0	-80.95	378.83	9.02	-71.93
CC(C)C[N@H+]1CCCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C1	REAL300007031469	1	50	0.0	-77.10	369.80	9.21	-67.89
CC[N@@H+]1CCCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C1	REAL300007031470	0	44	0.0	-75.94	333.69	7.80	-68.14
CC[N@H+]1CCCC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C1	REAL300007031470	1	44	0.0	-76.10	333.59	7.80	-68.30
C[NH+](C)CC1=CC=C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)O1	REAL300007031476	1	41	0.0	-86.57	342.15	7.14	-79.43
O=C([O-])C1=NNC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1C1CC1	REAL300007031484	1	43	0.0	-78.14	330.36	7.74	-70.40
O=C([O-])C1=NNC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1C1CC1	REAL300007031484	1	43	0.0	-80.59	334.68	8.38	-72.21
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)S1	REAL300007032619	0	51	0.0	-91.74	406.10	11.88	-79.86
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)S1	REAL300007033272	1	48	0.0	-82.52	390.32	11.36	-71.16
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)S1	REAL300007033272	1	48	0.0	-79.54	382.77	10.77	-68.77
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[NH+](C3CC3)CC2)S1	REAL300007034179	0	45	0.0	-85.94	354.45	9.51	-76.43
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+]2C2CC2)S1	REAL300007034206	1	42	0.0	-77.36	342.47	9.18	-68.18
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+]2C2CC2)S1	REAL300007034206	1	42	0.0	-81.68	335.61	8.53	-73.15
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)CN21	REAL300007034212	1	43	0.0	-77.18	352.67	9.39	-67.79
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)S1	REAL300007034213	0	51	0.0	-80.11	408.60	11.78	-68.33
C[N@@H+]1CCCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034295	1	41	0.0	-80.97	317.70	8.06	-72.91
C[N@H+]1CCCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034295	1	41	0.0	-81.01	317.70	8.06	-72.95
CC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)N1CC[NH+](C)CC1	REAL300007034296	1	46	0.0	-82.28	358.30	6.49	-75.79
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034340	1	41	0.0	-78.34	327.00	8.25	-70.09
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034340	1	41	0.0	-81.01	317.69	8.06	-72.95
CC1(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007034398	0	54	0.0	-81.73	418.79	12.28	-69.45
C[NH+]1CCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007034431	0	41	0.0	-88.79	329.60	8.31	-80.48
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)S1	REAL300007034457	0	36	0.0	-83.67	315.17	10.16	-73.51
C[NH+](C)CC1(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CCCCC1	REAL300007034490	0	50	0.0	-87.64	369.39	10.24	-77.40
C[N@H+](CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCCCC1	REAL300007034495	0	50	0.0	-86.55	383.45	10.24	-76.31
C[N@@H+](CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCCCC1	REAL300007034495	1	50	0.0	-86.56	383.46	10.25	-76.31
C[NH+]1CCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007034566	0	41	0.0	-88.79	329.60	8.31	-80.48
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)S1	REAL300007034571	0	44	0.0	-91.04	374.23	9.28	-81.76
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)S1	REAL300007034594	0	51	0.0	-78.39	377.68	10.57	-67.82
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)S1	REAL300007034594	1	51	0.0	-78.28	377.69	10.57	-67.71
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)S1	REAL300007034595	0	52	0.0	-90.48	396.75	8.91	-81.57
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034628	1	42	0.0	-80.89	356.00	9.56	-71.33
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC[NH+]2CCOCC2)S1	REAL300007034629	1	48	0.0	-87.98	383.30	8.25	-79.73
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300007034632	0	53	0.0	-91.38	403.65	11.41	-79.97
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300007034632	1	53	0.0	-88.86	402.51	11.33	-77.53
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300007034681	0	48	0.0	-85.27	388.16	11.03	-74.24
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300007034681	1	48	0.0	-86.63	388.62	11.06	-75.57
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)S1	REAL300007034682	0	49	0.0	-92.87	384.82	10.28	-82.59
C[NH+]1CCN(C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C2=CC=CC=C2)CC1	REAL300007034708	1	53	0.0	-79.20	418.45	9.95	-69.25
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)S1	REAL300007034709	0	52	0.0	-86.54	381.78	8.50	-78.04
CCC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+](CC)CC	REAL300007034713	0	46	0.0	-75.17	350.86	9.01	-66.16
CC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[N@H+](C)CC1=CC=CC=C1	REAL300007034715	1	47	0.0	-84.18	379.95	10.65	-73.53
CC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[N@@H+](C)CC1=CC=CC=C1	REAL300007034715	1	47	0.0	-83.77	379.92	10.67	-73.10
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)S1	REAL300007034727	0	54	0.0	-88.24	428.71	12.69	-75.55
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)S1	REAL300007034727	1	54	0.0	-79.07	422.44	12.91	-66.16
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=N1	REAL300007034749	0	43	0.0	-88.89	358.95	8.28	-80.61
CCC[NH+](CCC)CCCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034758	0	52	0.0	-84.88	403.12	10.58	-74.30
CC[N@H+](C)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007034759	1	47	0.0	-80.45	372.45	10.58	-69.87
CC[N@@H+](C)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007034759	1	47	0.0	-77.27	378.44	10.77	-66.50
CC[NH+](CC)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007034764	0	50	0.0	-79.93	386.70	10.94	-68.99
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034773	1	42	0.0	-77.65	350.68	9.39	-68.26
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)S1	REAL300007034791	0	48	0.0	-92.13	387.97	11.30	-80.83
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)S1	REAL300007034799	0	51	0.0	-84.21	404.72	12.00	-72.21
C[NH+](C)CC1(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007034805	0	41	0.0	-88.64	332.43	8.50	-80.14
C[NH+](C)CCCCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034814	0	43	0.0	-86.10	350.40	8.79	-77.31
CC(C)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+](C)C	REAL300007034823	0	43	0.0	-81.06	334.62	8.65	-72.41
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)S1	REAL300007034836	1	51	0.0	-80.12	403.73	11.80	-68.32
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)S1	REAL300007034836	1	51	0.0	-80.18	403.64	11.80	-68.38
CC1=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=NN1C1=CC=[NH+]C=C1	REAL300007034838	1	42	0.0	-89.63	359.17	8.51	-81.12
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)S1	REAL300007034846	0	51	0.0	-92.33	404.71	12.01	-80.32
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)S1	REAL300007034860	1	44	0.0	-86.81	368.41	8.76	-78.05
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=C1	REAL300007034861	0	47	0.0	-93.80	385.64	11.00	-82.80
C[N@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCC1	REAL300007034906	0	41	0.0	-80.62	331.26	8.64	-71.98
C[N@@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCC1	REAL300007034906	1	41	0.0	-81.09	331.17	8.64	-72.45
C[N@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)CC(C)(C)C	REAL300007034936	0	46	0.0	-83.36	352.88	9.06	-74.30
C[N@@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)CC(C)(C)C	REAL300007034936	1	46	0.0	-83.28	354.81	9.20	-74.08
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034938	1	47	0.0	-87.04	384.17	11.09	-75.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034938	1	47	0.0	-87.11	384.18	11.09	-76.02
COCCOCC[N@H+](C)CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034939	0	51	0.0	-85.67	413.16	7.28	-78.39
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034939	1	51	0.0	-86.98	413.21	7.28	-79.70
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007034944	0	45	0.0	-77.94	345.69	6.71	-71.23
C[N@H+]1CCCC(O)(CC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007034944	1	45	0.0	-83.91	342.77	6.83	-77.08
CCCCCC[N@H+](C)CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034968	0	49	0.0	-84.86	388.77	10.41	-74.45
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007034968	1	49	0.0	-84.91	388.77	10.42	-74.49
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CCC[NH+]2CCC3)S1	REAL300007034978	0	42	0.0	-84.12	329.72	8.62	-75.50
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)S1	REAL300007034986	1	36	0.0	-89.89	315.43	10.17	-79.72
C[N@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCSC1	REAL300007035002	1	42	0.0	-88.34	344.53	8.89	-79.45
C[N@@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CCSC1	REAL300007035002	1	42	0.0	-87.51	344.30	8.91	-78.60
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007035019	0	52	0.0	-83.34	400.39	7.83	-75.51
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007035020	0	55	0.0	-80.86	421.88	8.63	-72.23
CC(C)N1CC[NH+](CCCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007035020	1	55	0.0	-85.69	418.70	8.46	-77.23
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC3CCC[N@@H+]32)S1	REAL300007035021	0	45	0.0	-79.88	341.64	9.20	-70.68
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCCC3CCC[N@H+]32)S1	REAL300007035021	1	45	0.0	-74.60	349.75	9.48	-65.12
C[NH+](C)CCN1C=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=N1	REAL300007035023	0	44	0.0	-90.55	369.31	8.16	-82.39
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)S1	REAL300007035032	0	53	0.0	-90.35	417.83	9.99	-80.36
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)S1	REAL300007035035	0	50	0.0	-87.40	394.85	10.28	-77.12
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)S1	REAL300007035035	1	50	0.0	-87.37	394.81	10.28	-77.09
CCCC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+](C)C	REAL300007035061	0	43	0.0	-82.26	339.15	8.56	-73.70
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300007035063	0	51	0.0	-90.21	410.54	11.85	-78.36
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300007035063	1	51	0.0	-90.22	410.61	11.87	-78.35
C[NH+](C)CCN1C=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=N1	REAL300007035078	0	44	0.0	-95.80	369.69	8.17	-87.63
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035079	0	44	0.0	-71.47	364.59	8.13	-63.34
C[C@@H]1[C@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC[N@@H+]1C	REAL300007035085	0	41	0.0	-86.05	322.62	7.81	-78.24
C[C@@H]1[C@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC[N@H+]1C	REAL300007035085	1	41	0.0	-87.05	327.94	7.88	-79.17
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035087	1	45	0.0	-78.09	370.98	9.87	-68.22
CC[C@@H]1[C@@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC[N@@H+]1C	REAL300007035090	0	44	0.0	-85.41	341.98	8.31	-77.10
CC[C@@H]1[C@@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC[N@H+]1C	REAL300007035090	1	44	0.0	-84.26	350.71	8.90	-75.36
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=NN1	REAL300007035093	1	45	0.0	-89.02	370.78	7.74	-81.28
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=NN1	REAL300007035093	1	45	0.0	-86.11	366.10	7.25	-78.86
CC1=[NH+]C=CN1CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035112	1	36	0.0	-78.64	314.47	8.27	-70.37
CC(C[NH+]1CCOCC1)C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035114	1	45	0.0	-85.32	356.34	7.37	-77.95
CC1CC[NH+](CC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007035129	1	44	0.0	-84.27	348.00	9.14	-75.13
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)S1	REAL300007035181	0	51	0.0	-82.98	390.50	10.57	-72.41
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)S1	REAL300007035181	1	51	0.0	-83.95	389.68	10.53	-73.42
C[N@@H+]1CCCC1CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035188	0	44	0.0	-82.41	346.93	8.67	-73.74
C[N@H+]1CCCC1CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035188	1	44	0.0	-82.41	346.99	8.68	-73.73
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CCC[NH+](CCC2)C3)S1	REAL300007035201	0	45	0.0	-83.19	342.43	8.84	-74.35
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035203	1	42	0.0	-88.11	329.54	4.61	-83.50
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035203	1	42	0.0	-89.38	332.69	4.80	-84.58
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC3CCCC[N@@H+]32)S1	REAL300007035204	0	45	0.0	-79.64	345.91	9.13	-70.51
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC3CCCC[N@H+]32)S1	REAL300007035204	1	45	0.0	-76.88	352.90	9.58	-67.30
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035211	1	48	0.0	-80.26	365.83	7.74	-72.52
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=N1	REAL300007035216	0	51	0.0	-92.46	392.98	8.80	-83.66
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=N1	REAL300007035216	1	51	0.0	-88.34	391.07	8.71	-79.63
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)=C2)CC1	REAL300007035220	0	53	0.0	-81.20	421.84	9.57	-71.63
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)C=C2)CC1	REAL300007035221	0	53	0.0	-87.85	421.77	9.58	-78.27
CN1CC[NH+](CC2=CC=C(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)C=C2)CC1	REAL300007035221	1	53	0.0	-93.23	421.23	9.45	-83.78
CC(C)[NH+]1CCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007035230	0	47	0.0	-85.67	360.27	9.26	-76.41
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC[NH+](CC2)C3)S1	REAL300007035311	0	39	0.0	-86.35	316.57	7.18	-79.17
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC[N@H+](C2)CCC3)S1	REAL300007035321	0	42	0.0	-84.69	327.01	7.86	-76.83
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC[N@@H+](C2)CCC3)S1	REAL300007035321	1	42	0.0	-84.52	326.69	7.87	-76.65
CC1CCC(C)[NH+]1CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035370	0	44	0.0	-79.21	342.07	8.53	-70.68
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=C1	REAL300007035371	0	44	0.0	-85.17	363.15	10.15	-75.02
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300007035372	0	51	0.0	-81.05	399.92	12.04	-69.01
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300007035372	1	51	0.0	-81.00	399.88	12.04	-68.96
C[NH+](C)C1(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CCC1	REAL300007035412	0	41	0.0	-76.97	318.52	8.23	-68.74
C#CC[NH+]1CCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007035445	0	43	0.0	-89.35	354.28	9.46	-79.89
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035447	0	47	0.0	-80.36	356.87	9.46	-70.90
CCC[N@H+]1CCCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035447	1	47	0.0	-80.38	356.87	9.46	-70.92
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035448	0	44	0.0	-67.78	355.83	10.38	-57.40
CC[NH+]1CCN(CCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007035450	0	49	0.0	-85.73	382.48	7.17	-78.56
CC(C)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+]1CCCCC1	REAL300007035452	0	50	0.0	-79.70	377.16	10.48	-69.22
C[NH+](C)C(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007035453	1	44	0.0	-78.80	359.70	10.14	-68.66
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300007035457	0	49	0.0	-81.54	398.89	8.09	-73.45
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300007035457	1	49	0.0	-82.51	398.31	8.13	-74.38
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035463	1	45	0.0	-77.57	370.46	9.81	-67.76
C[NH+](C)CC1=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)OC2=CC=CC=C21	REAL300007035464	0	47	0.0	-70.43	390.31	10.50	-59.93
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)S1	REAL300007035469	0	48	0.0	-83.57	361.69	9.86	-73.71
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2CCC[N@H+]2C2CCCC2)S1	REAL300007035469	1	48	0.0	-80.41	370.59	10.05	-70.36
CC[N@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CC1	REAL300007035471	1	41	0.0	-79.39	334.20	8.69	-70.70
CC[N@@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)C1CC1	REAL300007035471	1	41	0.0	-80.66	331.39	8.64	-72.02
CC(C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+]1CCCCCC1	REAL300007035501	0	47	0.0	-77.93	354.06	9.10	-68.83
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)=CC=C1N2	REAL300007035543	1	49	0.0	-89.00	397.96	10.58	-78.42
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)=CC=C1N2	REAL300007035543	1	49	0.0	-88.83	398.17	10.56	-78.27
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)O1	REAL300007035594	0	47	0.0	-87.79	385.45	9.83	-77.96
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC[NH+]2CCCC2)S1	REAL300007035595	0	47	0.0	-84.58	376.37	9.97	-74.61
CC1=CC=C(N2CCC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)CC2)[NH+]=C1	REAL300007035597	1	50	0.0	-83.15	399.06	9.73	-73.42
C[N@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)CC1=CC=CC=C1	REAL300007035598	1	44	0.0	-88.63	361.70	10.25	-78.38
C[N@@H+](CC(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)CC1=CC=CC=C1	REAL300007035598	1	44	0.0	-88.55	361.74	10.25	-78.30
CC(C)[C@@H](C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1)[NH+](C)C	REAL300007035609	0	43	0.0	-81.23	334.20	8.75	-72.48
C[NH+](C)CC1=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=NO1	REAL300007035657	1	40	0.0	-88.31	344.12	7.70	-80.61
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035661	0	51	0.0	-87.85	406.54	11.62	-76.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035661	1	51	0.0	-90.48	410.63	11.73	-78.75
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035677	0	44	0.0	-80.63	337.43	8.71	-71.92
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035677	1	44	0.0	-80.73	337.33	8.69	-72.04
C[NH+]1CCC(OCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007035703	0	45	0.0	-90.26	364.98	8.65	-81.61
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)S1	REAL300007035708	0	48	0.0	-89.67	391.14	10.35	-79.32
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007035902	0	47	0.0	-82.82	368.77	9.67	-73.15
CCC[N@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007035902	1	47	0.0	-75.92	362.53	9.88	-66.04
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035934	0	47	0.0	-82.27	359.62	9.74	-72.53
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007035934	1	47	0.0	-79.41	369.69	9.86	-69.55
O=C([O-])C1=C(C2CC2)C=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)S1	REAL300007036042	0	52	0.0	-92.25	413.72	12.12	-80.13
O=C([O-])C1=C(C2CC2)C=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)S1	REAL300007036042	1	52	0.0	-93.67	415.92	12.09	-81.58
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036173	0	47	0.0	-81.04	363.95	9.44	-71.60
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036173	1	47	0.0	-75.26	357.69	9.65	-65.61
C[N@@H+]1CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C(C(F)(F)F)C1	REAL300007036174	0	41	0.0	-88.56	348.23	8.47	-80.09
C[N@H+]1CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C(C(F)(F)F)C1	REAL300007036174	1	41	0.0	-89.05	342.42	8.13	-80.92
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)N1	REAL300007036200	1	42	0.0	-78.94	355.27	7.94	-71.00
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=C1	REAL300007036697	0	47	0.0	-85.81	385.65	10.99	-74.82
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=C1	REAL300007036704	0	48	0.0	-91.80	392.94	9.93	-81.87
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)S1	REAL300007036801	0	54	0.0	-85.36	424.78	12.60	-72.76
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036847	0	41	0.0	-83.96	334.78	8.38	-75.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)CC1	REAL300007036851	0	47	0.0	-76.94	357.33	9.35	-67.59
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)=CN21	REAL300007036855	0	39	0.0	-79.86	336.59	9.93	-69.93
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036921	0	50	0.0	-77.04	377.20	10.53	-66.51
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036921	1	50	0.0	-76.75	379.97	10.56	-66.19
CC[N@@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036922	0	44	0.0	-75.53	341.03	9.13	-66.40
CC[N@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036922	1	44	0.0	-75.55	341.01	9.13	-66.42
C[N@@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036926	0	41	0.0	-75.41	323.37	8.48	-66.93
C[N@H+]1CCCC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036926	1	41	0.0	-83.92	329.63	8.27	-75.65
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)O1	REAL300007036928	1	41	0.0	-90.45	348.48	8.38	-82.07
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036934	0	50	0.0	-87.00	367.39	9.32	-77.68
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C1	REAL300007036934	1	50	0.0	-85.93	375.04	9.77	-76.16
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC(C2)CN3C2CC2)S1	REAL300007036937	0	43	0.0	-84.03	342.06	9.74	-74.29
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)S1	REAL300007036937	1	43	0.0	-81.60	350.12	9.10	-72.50
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)S1	REAL300007036937	1	43	0.0	-84.03	342.06	9.74	-74.29
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007037008	0	52	0.0	-46.85	394.68	11.39	-35.46
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007037008	1	52	0.0	-48.76	401.60	11.67	-37.09
CCN1C=NC2=C1CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C21CCOCC1	REAL300007037107	0	58	0.0	-57.09	410.50	10.03	-47.06
CCN1C=NC2=C1CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C21CCOCC1	REAL300007037107	1	58	0.0	-60.64	407.87	10.01	-50.63
O=C([O-])C1CCC[N@H+](CC(=O)N2CCNS(=O)(=O)CC2)C1	REAL300007037195	0	42	0.0	-52.82	311.93	2.97	-49.85
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCNS(=O)(=O)CC2)C1	REAL300007037195	1	42	0.0	-52.52	311.19	2.51	-50.01
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300007038239	0	54	0.0	-80.46	411.64	12.74	-67.72
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300007038801	0	51	0.0	-70.39	396.83	12.37	-58.02
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300007038801	1	51	0.0	-67.42	395.58	12.31	-55.11
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300007039641	0	48	0.0	-75.88	360.31	10.43	-65.45
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300007039666	0	45	0.0	-65.34	346.79	9.80	-55.54
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300007039666	1	45	0.0	-65.39	344.66	10.01	-55.38
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=C(C(=O)[O-])C=CC(F)=C4C3)CN12	REAL300007039672	1	46	0.0	-66.61	358.79	10.24	-56.37
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300007039673	0	54	0.0	-66.22	405.13	12.19	-54.03
C[N@@H+]1CCCCC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007039753	0	44	0.0	-63.85	335.67	9.42	-54.43
C[N@H+]1CCCCC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007039753	1	44	0.0	-66.88	324.41	8.93	-57.95
CC(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)N1CC[NH+](C)CC1	REAL300007039754	1	49	0.0	-71.85	365.07	7.52	-64.33
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007039794	0	44	0.0	-63.80	335.72	9.42	-54.38
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007039794	1	44	0.0	-66.83	324.42	8.93	-57.90
C[NH+]1CCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007039881	0	44	0.0	-79.02	335.45	9.22	-69.80
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300007039911	0	39	0.0	-76.16	329.73	11.17	-64.99
C[NH+](C)CC1(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CCCCC1	REAL300007039945	0	53	0.0	-79.63	369.28	11.27	-68.36
C[N@H+](CCC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1CCCCC1	REAL300007039950	0	53	0.0	-74.08	393.80	11.50	-62.58
C[N@@H+](CCC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1CCCCC1	REAL300007039950	1	53	0.0	-74.61	393.80	11.48	-63.13
C[N@@H+]1CCCC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007039967	0	41	0.0	-66.99	318.47	8.72	-58.27
C[N@H+]1CCCC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007039967	1	41	0.0	-67.27	319.98	8.71	-58.56
C[NH+]1CCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040023	0	44	0.0	-79.02	335.45	9.22	-69.80
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300007040027	0	47	0.0	-79.68	383.04	10.09	-69.59
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300007040047	0	54	0.0	-63.46	389.86	11.55	-51.91
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300007040047	1	54	0.0	-66.67	386.75	11.47	-55.20
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300007040048	0	55	0.0	-80.19	402.68	9.82	-70.37
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040084	1	45	0.0	-70.98	366.35	10.79	-60.19
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CCCC[NH+]1CCOCC1)C2	REAL300007040085	1	51	0.0	-77.42	393.66	9.47	-67.95
CC[N@H+](CC1=CC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C=C1)C(C)C	REAL300007040088	0	56	0.0	-77.74	421.05	12.63	-65.11
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C=C1)C(C)C	REAL300007040088	1	56	0.0	-77.80	412.34	12.20	-65.60
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040091	0	41	0.0	-69.93	313.45	8.37	-61.56
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040091	1	41	0.0	-68.37	317.87	8.70	-59.67
C[NH+](C)C1(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040100	0	41	0.0	-68.85	318.17	8.37	-60.48
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007040146	0	51	0.0	-74.51	397.35	12.17	-62.34
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007040146	1	51	0.0	-75.07	396.81	12.19	-62.88
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300007040147	0	52	0.0	-83.85	394.70	11.45	-72.40
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2	REAL300007040171	0	55	0.0	-73.40	392.20	9.75	-63.65
CCC(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+](CC)CC	REAL300007040175	0	49	0.0	-62.21	357.32	9.99	-52.22
CC(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300007040177	0	50	0.0	-68.98	386.95	11.74	-57.24
CC(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007040177	1	50	0.0	-71.05	388.75	11.77	-59.28
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C=N1	REAL300007040210	0	46	0.0	-78.36	367.14	9.06	-69.30
CCC[NH+](CCC)CCCC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040216	0	55	0.0	-73.83	418.05	12.07	-61.76
CC[N@H+](C)C(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1=CC=CC=C1	REAL300007040217	0	50	0.0	-64.30	381.98	11.97	-52.33
CC[N@@H+](C)C(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1=CC=CC=C1	REAL300007040217	1	50	0.0	-68.94	381.67	12.25	-56.69
C[N@@H+]1CCOC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007040219	1	42	0.0	-84.56	328.19	8.09	-76.47
C[N@H+]1CCOC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007040219	1	42	0.0	-77.39	321.20	7.89	-69.50
CC[NH+](CC)C(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1=CC=CC=C1	REAL300007040221	0	53	0.0	-68.30	391.38	12.14	-56.16
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040230	1	45	0.0	-65.82	361.02	10.57	-55.25
C[NH+](C)C(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1=CC=C(Cl)C=C1	REAL300007040235	1	47	0.0	-66.33	380.48	11.57	-54.76
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300007040248	0	51	0.0	-81.06	396.50	12.12	-68.94
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300007040255	0	54	0.0	-72.95	414.08	12.86	-60.09
C[NH+](C)CC1(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040259	0	44	0.0	-74.31	344.78	9.44	-64.87
C[NH+](C)CCCCC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040268	0	46	0.0	-75.69	360.75	10.02	-65.67
CC(C)C(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+](C)C	REAL300007040277	0	46	0.0	-65.45	339.21	9.36	-56.09
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300007040290	0	54	0.0	-68.49	411.43	12.88	-55.61
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300007040290	1	54	0.0	-69.50	403.83	12.60	-56.90
CC1=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C=NN1C1=CC=[NH+]C=C1	REAL300007040292	1	45	0.0	-80.86	367.66	9.43	-71.43
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300007040300	0	54	0.0	-81.31	413.25	12.83	-68.48
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300007040313	1	47	0.0	-79.00	375.84	10.27	-68.73
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C=C1	REAL300007040314	0	50	0.0	-82.95	395.03	11.84	-71.11
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040325	1	43	0.0	-63.09	346.80	8.39	-54.70
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300007040327	1	52	0.0	-71.96	398.21	11.52	-60.44
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300007040327	1	52	0.0	-80.38	398.04	11.47	-68.91
CCC[N@H+](C)CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040336	0	43	0.0	-70.70	334.62	9.23	-61.47
CCC[N@@H+](C)CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040336	1	43	0.0	-70.53	334.62	9.23	-61.30
C[N@H+](CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1CCC1	REAL300007040358	0	44	0.0	-68.35	341.49	9.81	-58.54
C[N@@H+](CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1CCC1	REAL300007040358	1	44	0.0	-67.91	341.68	9.82	-58.09
CC(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+]1CCSCC1	REAL300007040382	1	45	0.0	-69.55	351.84	9.77	-59.78
C[N@H+](CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)CC(C)(C)C	REAL300007040387	0	49	0.0	-70.31	363.58	10.24	-60.07
C[N@@H+](CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)CC(C)(C)C	REAL300007040387	1	49	0.0	-69.14	364.77	10.35	-58.79
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040389	0	50	0.0	-74.16	394.53	12.26	-61.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040389	1	50	0.0	-74.32	394.53	12.26	-62.06
COCCOCC[N@H+](C)CCC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040390	0	54	0.0	-73.84	423.61	8.52	-65.32
COCCOCC[N@@H+](C)CCC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040390	1	54	0.0	-75.96	423.58	8.51	-67.45
CC[C@@H](C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+](C)C	REAL300007040394	0	43	0.0	-65.10	321.57	8.69	-56.41
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007040396	0	48	0.0	-72.15	362.88	8.29	-63.86
C[N@H+]1CCCC(O)(CC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007040396	1	48	0.0	-72.83	353.12	8.12	-64.71
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C2	REAL300007040417	1	53	0.0	-73.19	406.44	11.14	-62.05
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C2	REAL300007040417	1	53	0.0	-74.92	399.43	10.94	-63.98
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C2	REAL300007040418	1	53	0.0	-69.41	407.29	11.10	-58.31
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C2	REAL300007040418	1	53	0.0	-72.29	398.70	10.84	-61.45
CCCCCC[N@H+](C)CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040420	0	52	0.0	-71.96	399.11	11.57	-60.39
CCCCCC[N@@H+](C)CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040420	1	52	0.0	-71.76	399.17	11.59	-60.17
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300007040430	0	45	0.0	-65.19	333.75	9.20	-55.99
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300007040438	1	39	0.0	-76.72	329.87	11.22	-65.50
C[N@H+](CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1CCSC1	REAL300007040451	0	45	0.0	-75.30	354.73	10.08	-65.22
C[N@@H+](CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1CCSC1	REAL300007040451	1	45	0.0	-75.18	354.72	10.06	-65.12
CC(C)[NH+]1CCN(CCC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040468	0	55	0.0	-73.87	406.78	8.82	-65.05
CC(C)N1CC[NH+](CCC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040468	1	55	0.0	-74.07	407.23	8.86	-65.21
CC(C)[NH+]1CCN(CCCC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040469	0	58	0.0	-70.76	432.23	9.86	-60.90
CC(C)N1CC[NH+](CCCC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040469	1	58	0.0	-74.81	428.73	9.66	-65.15
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300007040470	0	48	0.0	-64.49	346.99	9.88	-54.61
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300007040470	1	48	0.0	-69.13	347.18	10.13	-59.00
C[NH+](C)CCN1C=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C=N1	REAL300007040472	0	47	0.0	-79.82	376.36	8.99	-70.83
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300007040483	0	53	0.0	-76.28	407.02	10.99	-65.29
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300007040483	1	53	0.0	-78.10	410.52	11.16	-66.94
CC(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007040488	1	51	0.0	-67.97	390.84	12.16	-55.81
CC(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007040488	1	51	0.0	-69.95	392.55	12.18	-57.77
CCC(CC)C(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+]1CCOCC1	REAL300007040506	1	57	0.0	-67.03	401.28	9.75	-57.28
CCCC(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+](C)C	REAL300007040507	0	46	0.0	-67.57	347.03	9.66	-57.91
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007040508	0	54	0.0	-77.46	418.29	13.04	-64.42
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007040508	1	54	0.0	-77.90	420.75	13.14	-64.76
C[NH+](C)CCN1C=CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)=N1	REAL300007040523	0	47	0.0	-86.60	375.94	9.62	-76.98
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040524	0	47	0.0	-68.22	370.76	9.05	-59.17
C[C@@H]1[C@H](C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC[N@@H+]1C	REAL300007040527	0	44	0.0	-73.96	330.50	8.78	-65.18
C[C@@H]1[C@H](C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC[N@H+]1C	REAL300007040527	1	44	0.0	-70.90	335.90	9.44	-61.46
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040529	1	48	0.0	-66.40	381.35	11.09	-55.31
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC[N@@H+]1C	REAL300007040532	0	47	0.0	-68.04	350.55	9.41	-58.63
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC[N@H+]1C	REAL300007040532	1	47	0.0	-72.09	353.52	9.71	-62.38
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)=NN1	REAL300007040534	1	48	0.0	-80.26	377.05	9.16	-71.10
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)=NN1	REAL300007040534	1	48	0.0	-79.71	378.76	9.19	-70.52
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040535	1	43	0.0	-63.35	339.99	9.58	-53.77
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040535	1	43	0.0	-66.46	343.93	9.93	-56.53
CC1C[N@H+](C)CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)O1	REAL300007040541	1	45	0.0	-85.71	342.14	8.40	-77.31
CC1C[N@@H+](C)CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)O1	REAL300007040541	1	45	0.0	-85.09	349.38	8.82	-76.27
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C2	REAL300007040548	1	50	0.0	-65.68	392.45	10.73	-54.95
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C2	REAL300007040548	1	50	0.0	-71.01	390.92	10.48	-60.53
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C[NH+]1CCCC1)C2	REAL300007040551	0	41	0.0	-69.64	319.55	8.94	-60.70
CC1=[NH+]C=CN1CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040553	1	39	0.0	-67.93	323.84	9.41	-58.52
CC(C[NH+]1CCOCC1)C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040555	0	48	0.0	-73.77	362.40	8.29	-65.48
CC1CC[NH+](CC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040574	0	47	0.0	-70.63	358.00	10.33	-60.30
CC[N@@H+]1CCOC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007040585	1	45	0.0	-68.47	339.30	8.57	-59.90
CC[N@H+]1CCOC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007040585	1	45	0.0	-71.69	346.39	8.75	-62.94
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300007040622	0	54	0.0	-72.31	400.64	11.70	-60.61
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300007040622	1	54	0.0	-69.92	400.47	11.73	-58.19
C[N@@H+]1CCCC1CCC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040628	0	47	0.0	-72.93	357.37	9.91	-63.02
C[N@H+]1CCCC1CCC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040628	1	47	0.0	-71.64	357.36	9.91	-61.73
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300007040641	0	48	0.0	-73.61	343.97	9.53	-64.08
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040643	0	45	0.0	-72.83	334.17	5.55	-67.28
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040643	1	45	0.0	-68.02	335.43	5.34	-62.68
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300007040644	0	48	0.0	-64.24	354.81	10.31	-53.93
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300007040644	1	48	0.0	-67.09	355.08	10.29	-56.80
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040651	0	51	0.0	-71.78	369.47	8.39	-63.39
CC[NH+](CC)CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040667	0	43	0.0	-68.37	326.59	8.91	-59.46
CC(C)[NH+]1CCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040669	0	50	0.0	-75.95	369.85	10.41	-65.54
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C13CC[NH+](CC1)C3)C2	REAL300007040750	0	42	0.0	-74.74	319.55	8.11	-66.63
CCC(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+](C)C	REAL300007040753	0	43	0.0	-65.14	321.57	8.69	-56.45
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300007040761	0	45	0.0	-70.79	327.60	8.67	-62.12
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300007040761	1	45	0.0	-69.14	324.64	8.52	-60.62
CC1CCC(C)[NH+]1CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040806	0	47	0.0	-66.45	352.97	9.89	-56.56
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)=C1	REAL300007040807	0	47	0.0	-74.04	371.65	10.96	-63.08
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007040808	0	54	0.0	-71.99	412.04	12.75	-59.24
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007040808	1	54	0.0	-69.37	405.90	12.92	-56.45
C[NH+](C)C1(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CCC1	REAL300007040846	0	44	0.0	-72.96	328.58	9.08	-63.88
C#CC[NH+]1CCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040875	0	46	0.0	-78.74	360.12	10.37	-68.37
CCC[N@@H+]1CCCCC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040877	0	50	0.0	-70.49	367.31	10.47	-60.02
CCC[N@H+]1CCCCC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040877	1	50	0.0	-66.31	375.06	10.78	-55.53
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040878	0	47	0.0	-66.52	365.84	10.96	-55.56
CC[NH+]1CCN(CCC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040880	0	52	0.0	-75.14	394.00	8.54	-66.60
CCN1CC[NH+](CCC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007040880	1	52	0.0	-74.08	393.99	8.54	-65.54
CC(C)[N@H+](C)CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040881	0	43	0.0	-68.22	329.81	9.03	-59.19
CC(C)[N@@H+](C)CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040881	1	43	0.0	-67.58	329.80	9.02	-58.56
CC(C)C(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+]1CCCCC1	REAL300007040882	0	53	0.0	-62.55	378.44	11.25	-51.30
C[NH+](C)C(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1=CC=CC=C1	REAL300007040883	1	47	0.0	-62.97	363.71	11.03	-51.94
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007040887	0	52	0.0	-76.21	406.26	9.16	-67.05
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007040887	1	52	0.0	-67.85	404.06	9.27	-58.58
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040892	1	48	0.0	-66.01	380.80	11.04	-54.97
C[NH+](C)CC1=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)OC2=CC=CC=C21	REAL300007040894	0	50	0.0	-61.77	397.46	11.70	-50.07
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300007040900	0	51	0.0	-67.00	374.41	11.20	-55.80
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300007040900	1	51	0.0	-68.34	369.86	11.26	-57.08
CC[N@H+](CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1CC1	REAL300007040902	0	44	0.0	-66.66	343.35	9.82	-56.84
CC[N@@H+](CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)C1CC1	REAL300007040902	1	44	0.0	-67.95	341.83	9.86	-58.09
CC(C)C(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+]1CC(C)OC(C)C1	REAL300007040929	1	57	0.0	-64.82	408.49	10.49	-54.33
CC(C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+]1CCCCCC1	REAL300007040930	0	50	0.0	-65.18	361.17	10.22	-54.96
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040934	0	41	0.0	-66.16	317.43	8.58	-57.58
C[N@H+]1CCC[C@H]1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007040934	1	41	0.0	-64.78	313.23	8.34	-56.44
CC(C)(C)[NH2+]CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007041017	0	43	0.0	-69.18	334.34	7.55	-61.63
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)O1	REAL300007041019	0	50	0.0	-78.39	383.04	10.56	-67.83
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CCCC[NH+]1CCCC1)C2	REAL300007041020	0	50	0.0	-74.20	386.74	11.20	-63.00
CC1=CC=C(N2CCC(C(=O)N3CCC4=C(C(=O)[O-])C=CC(F)=C4C3)CC2)[NH+]=C1	REAL300007041022	1	53	0.0	-72.14	404.91	10.64	-61.50
C[N@H+](CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)CC1=CC=CC=C1	REAL300007041023	1	47	0.0	-74.89	372.11	11.42	-63.47
C[N@@H+](CC(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)CC1=CC=CC=C1	REAL300007041023	1	47	0.0	-74.53	372.10	11.42	-63.11
CC(C)[C@@H](C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1)[NH+](C)C	REAL300007041034	0	46	0.0	-65.23	337.61	9.37	-55.86
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300007041052	1	42	0.0	-78.14	351.36	8.94	-69.20
C[NH+](C)CC1=CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)=NO1	REAL300007041080	1	43	0.0	-80.40	349.40	9.07	-71.33
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007041084	0	54	0.0	-71.92	416.73	12.74	-59.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007041084	1	54	0.0	-74.31	417.42	12.72	-61.59
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007041097	0	47	0.0	-65.52	351.13	9.75	-55.77
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007041097	1	47	0.0	-66.22	350.48	9.76	-56.46
C[NH+]1CCC(OCC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007041120	0	48	0.0	-79.67	375.34	10.00	-69.67
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300007041124	0	51	0.0	-78.04	396.37	11.36	-66.68
CCC[N@@H+]1CCCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007041310	0	50	0.0	-66.00	368.51	10.76	-55.24
CCC[N@H+]1CCCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007041310	1	50	0.0	-60.52	368.83	10.79	-49.73
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007041341	0	50	0.0	-67.55	372.21	10.45	-57.10
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007041341	1	50	0.0	-64.44	372.10	10.46	-53.98
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C[NH+]1CCC(CO)CC1)C2	REAL300007041342	0	48	0.0	-71.45	368.83	7.01	-64.44
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007041567	0	50	0.0	-70.86	373.46	10.53	-60.33
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007041567	1	50	0.0	-69.58	369.78	10.36	-59.22
C[N@@H+]1CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C(C(F)(F)F)C1	REAL300007041568	0	44	0.0	-79.97	344.91	9.80	-70.17
C[N@H+]1CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C(C(F)(F)F)C1	REAL300007041568	1	44	0.0	-75.75	346.04	9.16	-66.59
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)N1	REAL300007041594	1	45	0.0	-67.14	365.62	9.17	-57.97
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)=C1	REAL300007042078	0	50	0.0	-75.10	394.18	11.80	-63.30
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C=C1	REAL300007042085	0	51	0.0	-80.74	402.63	10.80	-69.94
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007042221	0	44	0.0	-70.84	344.28	9.55	-61.29
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)CC1	REAL300007042225	0	50	0.0	-66.85	363.47	10.23	-56.62
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007042290	0	53	0.0	-61.52	384.03	11.48	-50.04
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007042290	1	53	0.0	-61.52	384.03	11.48	-50.04
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007042291	0	47	0.0	-73.29	347.70	9.89	-63.40
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007042291	1	47	0.0	-73.29	347.70	9.89	-63.40
C[N@@H+]1CCCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007042296	0	44	0.0	-72.58	335.55	9.19	-63.39
C[N@H+]1CCCC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007042296	1	44	0.0	-72.58	335.55	9.19	-63.39
CN(C)CC1=CC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)O1	REAL300007042298	0	44	0.0	-80.47	355.84	9.59	-70.88
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)O1	REAL300007042298	1	44	0.0	-80.47	355.84	9.59	-70.88
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007042304	0	53	0.0	-82.06	371.67	9.92	-72.14
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C1	REAL300007042304	1	53	0.0	-82.06	371.67	9.92	-72.14
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300007042307	0	46	0.0	-67.65	352.78	10.33	-57.32
CC12CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)(C1)C1(CCC1)O2	REAL300007042369	0	49	0.0	-51.13	363.60	6.78	-44.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)C1	REAL300007042580	0	48	0.0	-49.05	351.68	5.72	-43.33
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)C1	REAL300007042580	1	48	0.0	-49.05	351.68	5.72	-43.33
O=C([O-])C1=NNC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300007043927	0	47	0.0	-80.34	377.70	7.24	-73.10
O=C([O-])C1=NNC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300007044709	0	44	0.0	-71.88	354.43	6.12	-65.76
O=C([O-])C1=NNC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300007044709	1	44	0.0	-71.59	360.22	6.66	-64.93
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC(C(=O)[O-])=NN3)CN21	REAL300007045575	1	39	0.0	-68.83	324.24	4.76	-64.07
O=C([O-])C1=NNC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300007045576	0	47	0.0	-74.88	377.38	7.16	-67.72
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C[NH+](C)C(C(=O)NCC1=CC(C(=O)[O-])=NN1)C1=CC=CC=C1	REAL300007046578	1	40	0.0	-72.77	331.30	5.52	-67.25
O=C([O-])C1=NNC(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300007046582	0	45	0.0	-74.16	369.60	3.45	-70.71
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CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC(C(=O)[O-])=NN1	REAL300007046587	1	41	0.0	-69.12	342.02	5.18	-63.94
C[NH+](C)CC1=C(C(=O)NCC2=CC(C(=O)[O-])=NN2)OC2=CC=CC=C21	REAL300007046588	0	43	0.0	-75.25	355.85	5.83	-69.42
CC[NH+](CC)C(C(=O)NCC1=CC(C(=O)[O-])=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300007046590	0	49	0.0	-73.49	394.02	7.35	-66.14
O=C([O-])C1=NNC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)=C1	REAL300007046593	0	44	0.0	-70.02	339.48	5.54	-64.48
O=C([O-])C1=NNC(CNC(=O)C2CCC[N@H+]2C2CCCC2)=C1	REAL300007046593	1	44	0.0	-70.56	342.57	5.41	-65.15
CC(C)C(C(=O)NCC1=CC(C(=O)[O-])=NN1)[NH+]1CC(C)OC(C)C1	REAL300007046615	1	50	0.0	-69.45	374.89	5.00	-64.45
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=CC(C(=O)[O-])=NN3)=CC=C1N2	REAL300007046641	1	45	0.0	-83.06	369.55	5.94	-77.12
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=CC(C(=O)[O-])=NN3)=CC=C1N2	REAL300007046641	1	45	0.0	-82.78	369.76	5.91	-76.87
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=NN2)O1	REAL300007046693	0	43	0.0	-74.56	356.97	5.18	-69.38
CC1=CC=C(N2CCC(C(=O)NCC3=CC(C(=O)[O-])=NN3)CC2)[NH+]=C1	REAL300007046694	1	46	0.0	-71.82	370.63	5.09	-66.73
C[N@H+](CC(=O)NCC1=CC(C(=O)[O-])=NN1)CC1=CC=CC=C1	REAL300007046695	1	40	0.0	-77.74	333.26	5.61	-72.13
C[N@@H+](CC(=O)NCC1=CC(C(=O)[O-])=NN1)CC1=CC=CC=C1	REAL300007046695	1	40	0.0	-77.90	333.27	5.61	-72.29
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3=CC(C(=O)[O-])=NN3)C=C2)CC1	REAL300007046698	0	52	0.0	-78.90	402.78	5.88	-73.02
O=C([O-])C1=NNC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300007046708	1	35	0.0	-82.50	315.91	3.46	-79.04
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC(C(=O)[O-])=NN1	REAL300007046741	0	47	0.0	-81.10	381.31	7.00	-74.10
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC(C(=O)[O-])=NN1	REAL300007046741	1	47	0.0	-77.66	378.60	7.07	-70.59
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=CC(C(=O)[O-])=NN2)C=C1	REAL300007046759	0	48	0.0	-79.86	399.09	6.49	-73.37
O=C([O-])C1=NNC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C1	REAL300007046777	0	44	0.0	-76.62	362.76	5.70	-70.92
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=CC(C(=O)[O-])=NN2)[C@@H](C(F)(F)F)C1	REAL300007046807	0	46	0.0	-77.58	370.57	5.24	-72.34
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=CC(C(=O)[O-])=NN2)[C@@H](C(F)(F)F)C1	REAL300007046807	1	46	0.0	-75.59	369.28	5.31	-70.28
O=C([O-])C1=NNC(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=C1	REAL300007047040	0	48	0.0	-74.05	385.50	7.51	-66.54
O=C([O-])C1=NNC(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=C1	REAL300007047040	1	48	0.0	-79.12	386.82	7.47	-71.65
O=C([O-])C1=NNC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)=C1	REAL300007047071	1	47	0.0	-76.91	372.27	7.08	-69.83
O=C([O-])C1=NNC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)=C1	REAL300007047071	1	47	0.0	-75.29	372.23	7.08	-68.21
C[N@@H+]1CC(C(=O)NCC2=CC(C(=O)[O-])=NN2)C(C(F)(F)F)C1	REAL300007047152	0	37	0.0	-81.08	311.04	3.73	-77.35
C[N@H+]1CC(C(=O)NCC2=CC(C(=O)[O-])=NN2)C(C(F)(F)F)C1	REAL300007047152	1	37	0.0	-82.73	312.90	3.84	-78.89
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=CC(C(=O)[O-])=NN2)=C1	REAL300007047575	0	43	0.0	-79.48	357.25	6.35	-73.13
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=NN2)C=C1	REAL300007047581	0	44	0.0	-78.70	364.54	5.30	-73.40
O=C([O-])C1=NNC(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300007047656	0	50	0.0	-75.51	396.31	7.96	-67.55
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=CC(C(=O)[O-])=NN3)C=C2)CCO1	REAL300007047658	1	48	0.0	-82.11	382.13	5.68	-76.43
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=CC(C(=O)[O-])=NN3)C=C2)CCO1	REAL300007047658	1	48	0.0	-82.33	382.17	5.68	-76.65
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC(C(=O)[O-])=NN2)C1	REAL300007047743	0	46	0.0	-73.37	357.81	5.71	-67.66
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC(C(=O)[O-])=NN2)C1	REAL300007047743	1	46	0.0	-73.37	357.81	5.71	-67.66
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC(C(=O)[O-])=NN2)C1	REAL300007047749	0	46	0.0	-77.79	338.96	4.69	-73.10
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC(C(=O)[O-])=NN2)C1	REAL300007047749	1	46	0.0	-77.79	338.96	4.69	-73.10
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C2(C1)CCOCC2	REAL300007047755	0	48	0.0	-82.28	345.35	8.28	-74.00
C[NH+](C)C1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C2(C1)CCOCC2	REAL300007047756	0	52	0.0	-94.03	376.81	8.59	-85.44
C[NH+](C)C1CN(C(=O)C2=CC=CC(C(=O)[O-])=C2)C2(C1)CCOCC2	REAL300007047757	0	48	0.0	-97.38	345.73	8.29	-89.09
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])S2)C2(C1)CCOCC2	REAL300007047758	0	45	0.0	-73.81	338.91	7.43	-66.38
C[NH+](C)C1CN(C(=O)C2=CC=CC(C(=O)[O-])=N2)C2(C1)CCOCC2	REAL300007047759	0	47	0.0	-52.39	343.68	7.42	-44.97
C[NH+](C)C1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C2(C1)CCOCC2	REAL300007047760	0	54	0.0	-86.13	395.75	10.20	-75.93
C[NH+](C)C1CN(C(=O)C2=CC=NC(C(=O)[O-])=C2)C2(C1)CCOCC2	REAL300007047761	0	47	0.0	-99.66	341.44	6.54	-93.12
C[NH+](C)C1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C2(C1)CCOCC2	REAL300007047762	0	52	0.0	-87.48	383.10	9.90	-77.58
C[NH+](C)C1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2(C1)CCOCC2	REAL300007047763	0	50	0.0	-61.94	373.92	8.97	-52.97
C[NH+](C)C1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2(C1)CCOCC2	REAL300007047764	0	50	0.0	-61.94	373.92	8.97	-52.97
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])O2)C2(C1)CCOCC2	REAL300007047765	0	45	0.0	-61.38	332.96	7.16	-54.22
C[NH+](C)C1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C2(C1)CCOCC2	REAL300007047766	0	54	0.0	-74.92	386.80	9.91	-65.01
CC1=CC(C(=O)N2CC([NH+](C)C)CC23CCOCC3)=CC(C)=C1OCC(=O)[O-]	REAL300007047767	0	58	0.0	-85.99	420.86	10.13	-75.86
C[NH+](C)C1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C2(C1)CCOCC2	REAL300007047768	0	51	0.0	-96.52	374.34	9.39	-87.13
C[NH+](C)C1CN(C(=O)C2CCCC(C(=O)[O-])C2)C2(C1)CCOCC2	REAL300007047769	0	54	0.0	-99.01	364.28	8.45	-90.56
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)C2(C1)CCOCC2	REAL300007047770	0	47	0.0	-79.75	341.45	6.45	-73.30
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C2(C1)CCOCC2	REAL300007047771	0	47	0.0	-68.33	343.62	7.46	-60.87
C[NH+](C)C1CN(C(=O)CC(C)(C)CC(=O)[O-])C2(C1)CCOCC2	REAL300007047772	0	53	0.0	-83.87	357.84	7.95	-75.92
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)C2(C1)CCOCC2	REAL300007047773	0	48	0.0	-82.30	352.35	8.35	-73.95
C[NH+](C)C1CN(C(=O)C2=CN=C(C(=O)[O-])C=N2)C2(C1)CCOCC2	REAL300007047774	0	46	0.0	-72.14	339.24	5.60	-66.54
C[NH+](C)C1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2(C1)CCOCC2	REAL300007047775	0	54	0.0	-81.13	370.01	8.57	-72.56
C[NH+](C)C1CN(C(=O)C2CCC(C(=O)[O-])CC2)C2(C1)CCOCC2	REAL300007047776	0	54	0.0	-95.11	362.88	8.40	-86.71
C[NH+](C)C1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)C2(C1)CCOCC2	REAL300007047777	0	51	0.0	-100.51	374.35	9.40	-91.11
C[NH+](C)C1CN(C(=O)CN2C=C(C(=O)[O-])N=N2)C2(C1)CCOCC2	REAL300007047778	0	47	0.0	-101.45	351.48	5.34	-96.11
CC1=NC(C(=O)N2CC([NH+](C)C)CC23CCOCC3)=CC=C1C(=O)[O-]	REAL300007047779	0	50	0.0	-69.79	359.63	7.92	-61.87
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C2(C1)CCOCC2	REAL300007047780	0	48	0.0	-82.28	345.35	8.28	-74.00
C[NH+](C)C1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2(C1)CCOCC2	REAL300007047781	0	51	0.0	-93.23	353.91	8.07	-85.16
C[NH+](C)C1CN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)C2(C1)CCOCC2	REAL300007047782	0	51	0.0	-87.80	367.52	9.05	-78.75
C[NH+](C)C1CN(C(=O)C2=C(CC(=O)[O-])OC=C2)C2(C1)CCOCC2	REAL300007047783	0	48	0.0	-89.38	346.44	7.22	-82.16
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047784	0	51	0.0	-85.06	379.36	8.28	-76.78
C[NH+](C)C1CN(C(=O)C2=CC(C(=O)[O-])=CC=N2)C2(C1)CCOCC2	REAL300007047785	0	47	0.0	-83.25	343.79	7.47	-75.78
C[NH+](C)C1CN(C(=O)CC2CCC(C(=O)[O-])CC2)C2(C1)CCOCC2	REAL300007047786	0	57	0.0	-93.52	393.99	9.55	-83.97
C[NH+](C)C1CN(C(=O)CC(C)(C)CC(=O)[O-])C2(C1)CCOCC2	REAL300007047787	0	53	0.0	-83.87	357.84	7.95	-75.92
CC(CC(=O)[O-])CC(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047788	0	50	0.0	-86.05	348.81	7.68	-78.37
C[NH+](C)C1CN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C2(C1)CCOCC2	REAL300007047789	0	50	0.0	-80.43	372.25	7.68	-72.75
C[NH+](C)C1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C2(C1)CCOCC2	REAL300007047790	0	55	0.0	-99.04	397.11	9.48	-89.56
C[NH+](C)C1CN(C(=O)C2=NOC(C(=O)[O-])=C2)C2(C1)CCOCC2	REAL300007047791	0	44	0.0	-68.79	327.45	6.52	-62.27
CC1=C(C(=O)N2CC([NH+](C)C)CC23CCOCC3)C=C(C(=O)[O-])O1	REAL300007047792	0	48	0.0	-67.78	347.61	7.48	-60.30
CC1=C(C(=O)[O-])OC(C(=O)N2CC([NH+](C)C)CC23CCOCC3)=C1	REAL300007047793	0	48	0.0	-61.13	350.87	7.74	-53.39
C[NH+](C)C1CN(C(=O)CN2C=C(C(=O)[O-])C=N2)C2(C1)CCOCC2	REAL300007047794	0	48	0.0	-96.23	356.41	6.82	-89.41
C[NH+](C)C1CN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)C2(C1)CCOCC2	REAL300007047795	0	49	0.0	-64.70	366.12	8.36	-56.34
C[NH+](C)C1CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2(C1)CCOCC2	REAL300007047796	0	52	0.0	-83.17	376.35	8.56	-74.61
C[NH+](C)C1CN(C(=O)CCSCC(=O)[O-])C2(C1)CCOCC2	REAL300007047797	0	48	0.0	-79.99	359.50	7.91	-72.08
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C2(C1)CCOCC2	REAL300007047798	0	47	0.0	-68.33	343.62	7.46	-60.87
C[NH+](C)C1CN(C(=O)COCC(=O)[O-])C2(C1)CCOCC2	REAL300007047799	0	45	0.0	-89.72	328.60	6.11	-83.61
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047800	0	48	0.0	-73.28	346.27	5.98	-67.30
C[C@@H]1C[C@H](C(=O)N2CC([NH+](C)C)CC23CCOCC3)O[C@H]1C(=O)[O-]	REAL300007047801	0	52	0.0	-90.85	368.71	7.57	-83.28
C[NH+](C)C1CN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)C2(C1)CCOCC2	REAL300007047802	0	51	0.0	-81.61	367.53	9.06	-72.55
C[NH+](C)C1CN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2(C1)CCOCC2	REAL300007047803	0	52	0.0	-84.46	377.43	9.56	-74.90
C[NH+](C)C1CN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)C2(C1)CCOCC2	REAL300007047804	0	49	0.0	-84.18	367.60	8.12	-76.06
C[NH+](C)C1CN(C(=O)COCC2=C(C(=O)[O-])N=CO2)C2(C1)CCOCC2	REAL300007047805	0	51	0.0	-94.00	382.46	3.99	-90.01
C[NH+](C)C1CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C2(C1)CCOCC2	REAL300007047806	0	49	0.0	-73.09	369.18	8.50	-64.59
C[NH+](C)C1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2(C1)CCOCC2	REAL300007047807	0	51	0.0	-93.23	353.91	8.07	-85.16
CC1=CC=C(C(=O)N2CC([NH+](C)C)CC23CCOCC3)C=C1C(=O)[O-]	REAL300007047808	0	51	0.0	-99.08	360.38	8.79	-90.29
C[NH+](C)C1CN(C(=O)C2=CN=CC(C(=O)[O-])=C2)C2(C1)CCOCC2	REAL300007047809	0	47	0.0	-87.31	340.57	6.42	-80.89
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047810	0	50	0.0	-63.98	360.91	7.16	-56.82
C[NH+](C)C1CN(C(=O)CN2C=CC(C(=O)[O-])=N2)C2(C1)CCOCC2	REAL300007047811	0	48	0.0	-110.16	355.87	6.81	-103.35
C[NH+](C)C1CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C2(C1)CCOCC2	REAL300007047812	0	54	0.0	-108.15	399.36	8.23	-99.92
C[NH+](C)C1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C2(C1)CCOCC2	REAL300007047813	0	48	0.0	-71.65	336.69	7.49	-64.16
C[NH+](C)C1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C2(C1)CCOCC2	REAL300007047814	0	55	0.0	-96.63	391.48	8.06	-88.57
C[NH+](C)C1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C2(C1)CCOCC2	REAL300007047815	0	55	0.0	-83.76	391.89	7.52	-76.24
C[NH+](C)C1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C2(C1)CCOCC2	REAL300007047816	0	48	0.0	-71.65	336.69	7.49	-64.16
CC1=C(C(=O)N2CC([NH+](C)C)CC23CCOCC3)OC(C(=O)[O-])=C1	REAL300007047817	0	48	0.0	-61.03	350.84	7.75	-53.28
C[NH+](C)C1CN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C2(C1)CCOCC2	REAL300007047818	0	56	0.0	-76.43	368.79	9.30	-67.13
CC(C)C(C(=O)[O-])C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047819	0	50	0.0	-60.84	347.54	7.42	-53.42
C[NH+](C)C1CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C2(C1)CCOCC2	REAL300007047820	0	54	0.0	-86.28	361.28	8.47	-77.81
C[NH+](C)C1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C2(C1)CCOCC2	REAL300007047822	0	55	0.0	-99.04	397.11	9.48	-89.56
C[NH+](C)C1CN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C2(C1)CCOCC2	REAL300007047823	0	55	0.0	-108.48	407.70	10.82	-97.66
C[NH+](C)C1CN(C(=O)C2CC3(CC3C(=O)[O-])C2)C2(C1)CCOCC2	REAL300007047824	0	52	0.0	-94.88	372.00	9.05	-85.83
C[NH+](C)C1CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C2(C1)CCOCC2	REAL300007047825	0	48	0.0	-87.67	340.96	7.67	-80.00
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047826	0	54	0.0	-73.85	378.85	8.79	-65.06
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047827	0	51	0.0	-63.80	363.94	8.87	-54.93
C[NH+](C)C1CN(C(=O)C2CC(C)(C(=O)[O-])C2)C2(C1)CCOCC2	REAL300007047828	0	51	0.0	-89.26	358.88	8.07	-81.19
C[NH+](C)C1CN(C(=O)C2=CC(C(=O)[O-])=NN2)C2(C1)CCOCC2	REAL300007047829	0	45	0.0	-88.24	328.71	5.17	-83.07
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047830	0	50	0.0	-81.26	354.04	6.94	-74.32
CCCC(C(=O)[O-])C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047831	0	50	0.0	-55.08	346.08	7.65	-47.43
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047832	0	51	0.0	-79.37	366.45	8.96	-70.41
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2(C1)CCOCC2	REAL300007047833	0	48	0.0	-80.27	360.76	8.73	-71.54
C[NH+](C)C1CN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)C2(C1)CCOCC2	REAL300007047834	0	55	0.0	-86.55	389.98	9.55	-77.00
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC([NH+](C)C)CC23CCOCC3)=C1	REAL300007047835	0	51	0.0	-52.10	373.79	6.75	-45.35
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047836	0	49	0.0	-84.53	346.93	7.51	-77.02
C[NH+](C)C1CN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2(C1)CCOCC2	REAL300007047837	0	54	0.0	-83.40	388.93	9.86	-73.54
C[NH+](C)C1CN(C(=O)CC2(CC(=O)[O-])CC2)C2(C1)CCOCC2	REAL300007047838	0	51	0.0	-73.57	362.19	8.35	-65.22
C[NH+](C)C1CN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C2(C1)CCOCC2	REAL300007047839	0	52	0.0	-82.90	382.97	9.13	-73.77
C[NH+](C)C1CN(C(=O)C2=CSC(C(=O)[O-])=N2)C2(C1)CCOCC2	REAL300007047840	0	44	0.0	-53.98	336.07	6.33	-47.65
COC(C(=O)[O-])C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047841	0	45	0.0	-61.62	320.60	5.63	-55.99
C[NH+](C)C1CN(C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])C2(C1)CCOCC2	REAL300007047842	0	48	0.0	-58.81	339.52	7.51	-51.30
CC1=C(C(=O)N2CC([NH+](C)C)CC23CCOCC3)C=C(C(=O)[O-])S1	REAL300007047843	0	48	0.0	-63.82	356.98	8.12	-55.70
C[NH+](C)C1CN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C2(C1)CCOCC2	REAL300007047844	0	48	0.0	-88.79	374.32	8.82	-79.97
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC([NH+](C)C)CC23CCOCC3)=C1	REAL300007047845	0	52	0.0	-86.67	386.00	7.92	-78.75
C[NH+](C)C1CN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C2(C1)CCOCC2	REAL300007047846	0	51	0.0	-100.38	379.68	9.53	-90.85
C[NH+](C)C1CN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C2(C1)CCOCC2	REAL300007047847	0	53	0.0	-79.16	382.77	8.18	-70.98
C[NH+](C)C1CN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C2(C1)CCOCC2	REAL300007047848	0	52	0.0	-87.50	383.09	9.90	-77.60
C[NH+](C)C1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C2(C1)CCOCC2	REAL300007047849	0	49	0.0	-63.22	369.99	7.89	-55.33
C[NH+](C)C1CN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C2(C1)CCOCC2	REAL300007047850	0	49	0.0	-83.40	370.19	8.02	-75.38
C[NH+](C)C1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C2(C1)CCOCC2	REAL300007047851	0	49	0.0	-66.54	361.29	7.02	-59.52
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047852	0	51	0.0	-91.39	357.36	8.74	-82.65
C[NH+](C)C1CN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C2(C1)CCOCC2	REAL300007047853	0	51	0.0	-87.39	378.93	8.11	-79.28
C[NH+](C)C1CN(C(=O)C2=CC(C(=O)[O-])=CS2)C2(C1)CCOCC2	REAL300007047854	0	45	0.0	-94.12	337.74	7.27	-86.85
C[NH+](C)C1CN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C2(C1)CCOCC2	REAL300007047855	0	53	0.0	-72.42	366.72	6.77	-65.65
C[NH+](C)C1CN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C2(C1)CCOCC2	REAL300007047856	0	54	0.0	-88.00	384.36	10.33	-77.67
CC(C)[C@]1(C(=O)N2CC([NH+](C)C)CC23CCOCC3)C[C@H]1C(=O)[O-]	REAL300007047857	0	54	0.0	-69.83	374.35	8.49	-61.34
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC([NH+](C)C)CC12CCOCC2	REAL300007047858	0	54	0.0	-102.38	391.08	9.84	-92.54
C[NH+](C)C1CN(C(=O)CC2=CC(C(=O)[O-])=CS2)C2(C1)CCOCC2	REAL300007047859	0	48	0.0	-95.84	365.90	8.53	-87.31
C[NH+](C)C1CN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C2(C1)CCOCC2	REAL300007047860	0	51	0.0	-103.93	378.89	9.43	-94.50
C[NH+](C)C1CN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C2(C1)CCOCC2	REAL300007047861	0	51	0.0	-77.64	354.88	8.08	-69.56
C[NH+](C)C1CN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C2(C1)CCOCC2	REAL300007047862	0	55	0.0	-72.52	393.44	9.68	-62.84
CC1=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300007049178	0	47	0.0	-87.10	368.65	8.98	-78.12
CC1=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007049960	1	44	0.0	-79.25	352.88	8.43	-70.82
CC1=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007049960	1	44	0.0	-78.35	351.41	8.40	-69.95
CC1=[NH+]C=C2CCC(C(=O)NC3=C(C)C(C(=O)[O-])=NN3)CN21	REAL300007050826	1	39	0.0	-73.38	315.21	6.47	-66.91
CC1=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007050827	0	47	0.0	-78.11	362.13	8.37	-69.74
CC1=NC(C[NH+]2CCC(C(=O)NC3=C(C)C(C(=O)[O-])=NN3)CC2)=CS1	REAL300007050892	1	46	0.0	-83.27	375.68	7.00	-76.27
CC1=C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)NN=C1C(=O)[O-]	REAL300007050965	0	50	0.0	-82.04	401.63	8.50	-73.54
CC1=C(C(=O)[O-])NN=C1NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300007050965	1	50	0.0	-75.16	404.01	8.33	-66.83
CC1=C(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)NN=C1C(=O)[O-]	REAL300007050979	0	50	0.0	-85.65	402.35	10.83	-74.82
CC1=C(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)NN=C1C(=O)[O-]	REAL300007050979	1	50	0.0	-85.09	402.36	10.84	-74.25
CC1=C(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300007050980	0	50	0.0	-77.90	381.29	9.37	-68.53
CC1=C(NC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051022	0	47	0.0	-77.44	382.85	9.07	-68.37
CC1=C(NC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051022	1	47	0.0	-79.18	383.85	9.20	-69.98
CC1=C(NC(=O)C2(C[NH+](C)C)CCCCC2)NN=C1C(=O)[O-]	REAL300007051059	0	46	0.0	-81.91	331.90	7.32	-74.59
CC1=C(C(=O)[O-])NN=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300007051059	1	46	0.0	-70.41	334.40	7.17	-63.24
CC1=C(NC(=O)CC[N@@H+](C)C2CCCCC2)NN=C1C(=O)[O-]	REAL300007051062	0	46	0.0	-83.29	345.98	7.35	-75.94
CC1=C(NC(=O)CC[N@H+](C)C2CCCCC2)NN=C1C(=O)[O-]	REAL300007051062	1	46	0.0	-83.25	345.98	7.33	-75.92
CC1=C(C(=O)[O-])NN=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300007051062	1	46	0.0	-72.51	348.35	7.19	-65.32
CC1=C(C(=O)[O-])NN=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300007051062	1	46	0.0	-72.52	348.34	7.17	-65.35
CC1=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)NN=C1C(=O)[O-]	REAL300007051142	0	40	0.0	-83.03	336.78	6.38	-76.65
CC1=C(NC(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)NN=C1C(=O)[O-]	REAL300007051147	0	50	0.0	-84.42	404.99	8.57	-75.85
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300007051147	1	50	0.0	-76.95	407.39	8.42	-68.53
CC1=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)NN=C1C(=O)[O-]	REAL300007051173	0	47	0.0	-73.14	344.51	7.52	-65.62
CC1=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)NN=C1C(=O)[O-]	REAL300007051173	1	47	0.0	-73.09	345.10	7.56	-65.53
CC1=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)NN=C1C(=O)[O-]	REAL300007051174	0	48	0.0	-84.95	359.28	6.01	-78.94
CC1=C(NC(=O)CCCC[NH+]2CCOCC2)NN=C1C(=O)[O-]	REAL300007051202	1	44	0.0	-84.01	345.83	5.34	-78.67
CC[N@H+](CC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)C=C1)C(C)C	REAL300007051203	0	49	0.0	-82.27	370.68	8.69	-73.58
CC[N@@H+](CC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)C=C1)C(C)C	REAL300007051203	1	49	0.0	-82.49	365.03	8.42	-74.07
CC[N@H+](CC1=CC=C(C(=O)NC2=NNC(C(=O)[O-])=C2C)C=C1)C(C)C	REAL300007051203	1	49	0.0	-75.33	373.04	8.52	-66.81
CC[N@@H+](CC1=CC=C(C(=O)NC2=NNC(C(=O)[O-])=C2C)C=C1)C(C)C	REAL300007051203	1	49	0.0	-75.52	367.42	8.26	-67.26
CC1=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051226	0	44	0.0	-82.17	350.68	8.12	-74.05
CC1=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051226	1	44	0.0	-82.26	350.71	8.13	-74.13
CC1=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)NN=C1C(=O)[O-]	REAL300007051227	0	45	0.0	-89.76	351.33	7.63	-82.13
CC1=C(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)NN=C1C(=O)[O-]	REAL300007051249	1	49	0.0	-78.70	384.11	6.91	-71.79
CC1=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)NN=C1C(=O)[O-]	REAL300007051250	0	48	0.0	-82.60	344.30	5.58	-77.02
CC1=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007051253	0	43	0.0	-80.34	342.67	7.75	-72.59
CC1=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007051253	1	43	0.0	-80.25	342.43	7.76	-72.49
CC1=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051263	0	50	0.0	-84.89	391.21	9.79	-75.10
CC1=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051263	1	50	0.0	-84.89	391.20	9.80	-75.09
CC1=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)NN=C1C(=O)[O-]	REAL300007051294	0	39	0.0	-83.23	321.52	5.37	-77.86
CCC[NH+](CCC)CCCC(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300007051305	0	48	0.0	-81.36	370.11	7.96	-73.40
CCC[NH+](CCC)CCCC(=O)NC1=NNC(C(=O)[O-])=C1C	REAL300007051305	1	48	0.0	-71.78	372.50	7.80	-63.98
CC[N@H+](C)C(C(=O)NC1=C(C)C(C(=O)[O-])=NN1)C1=CC=CC=C1	REAL300007051307	0	43	0.0	-74.48	340.67	7.86	-66.62
CC[N@@H+](C)C(C(=O)NC1=C(C)C(C(=O)[O-])=NN1)C1=CC=CC=C1	REAL300007051307	1	43	0.0	-75.24	340.84	7.85	-67.39
CC[NH+](CC)C(C(=O)NC1=C(C)C(C(=O)[O-])=NN1)C1=CC=CC=C1	REAL300007051312	0	46	0.0	-76.96	346.29	8.03	-68.93
CC1=C(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)NN=C1C(=O)[O-]	REAL300007051318	1	40	0.0	-80.66	338.95	7.75	-72.91
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)NN=C1C(=O)[O-]	REAL300007051332	0	44	0.0	-85.51	350.48	8.39	-77.12
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007051332	1	44	0.0	-78.66	352.87	8.23	-70.43
CC1=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)NN=C1C(=O)[O-]	REAL300007051339	0	47	0.0	-80.48	367.26	9.09	-71.39
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007051339	1	47	0.0	-72.54	369.62	8.93	-63.61
CCN1CCC([NH+]2CCC(C(=O)NC3=C(C)C(C(=O)[O-])=NN3)CC2)CC1	REAL300007051345	0	55	0.0	-84.28	401.32	6.56	-77.72
CC1=C(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)NN=C1C(=O)[O-]	REAL300007051352	1	51	0.0	-89.01	400.53	8.13	-80.88
CC1=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)NN=C1C(=O)[O-]	REAL300007051361	1	48	0.0	-91.39	375.10	8.16	-83.23
CC1=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)NN=C1C(=O)[O-]	REAL300007051361	1	48	0.0	-91.37	375.19	8.17	-83.20
CC1=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007051376	1	47	0.0	-76.58	366.22	8.88	-67.70
CC1=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007051376	1	47	0.0	-78.20	356.75	8.72	-69.48
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)NN=C1C(=O)[O-]	REAL300007051386	0	47	0.0	-85.84	367.25	9.10	-76.74
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007051386	1	47	0.0	-79.01	369.31	8.89	-70.12
CC1=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)NN=C1C(=O)[O-]	REAL300007051397	1	40	0.0	-83.68	330.92	5.85	-77.83
CC1=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)NN=C1C(=O)[O-]	REAL300007051398	0	43	0.0	-86.95	348.18	8.08	-78.87
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300007051398	1	43	0.0	-80.72	350.54	7.92	-72.80
CC1=C(NC(=O)C2=CC=CC=C2OCC[N@H+]2CCCCC2C)NN=C1C(=O)[O-]	REAL300007051412	0	54	0.0	-72.64	411.71	10.47	-62.17
CC1=C(NC(=O)C2=CC=CC=C2OCC[N@@H+]2CCCCC2C)NN=C1C(=O)[O-]	REAL300007051412	1	54	0.0	-71.80	407.97	10.51	-61.29
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C	REAL300007051412	1	54	0.0	-63.65	414.11	10.36	-53.29
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C	REAL300007051412	1	54	0.0	-61.71	406.93	10.09	-51.62
CC1=C(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300007051421	1	53	0.0	-78.57	405.82	10.22	-68.35
CC1=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007051455	0	43	0.0	-85.19	346.68	8.18	-77.01
CC1=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007051455	1	43	0.0	-85.19	346.70	8.19	-77.00
COCCOCC[N@H+](C)CCC(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300007051456	0	47	0.0	-82.71	375.70	4.37	-78.34
COCCOCC[N@@H+](C)CCC(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300007051456	1	47	0.0	-83.78	375.74	4.37	-79.41
COCCOCC[N@H+](C)CCC(=O)NC1=NNC(C(=O)[O-])=C1C	REAL300007051456	1	47	0.0	-72.05	378.07	4.22	-67.83
COCCOCC[N@@H+](C)CCC(=O)NC1=NNC(C(=O)[O-])=C1C	REAL300007051456	1	47	0.0	-73.21	378.12	4.20	-69.01
CC1=C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300007051466	0	52	0.0	-86.87	401.86	7.89	-78.98
CC1=C(NC(=O)CCN2CC[NH+](C(C)C)CC2)NN=C1C(=O)[O-]	REAL300007051502	0	48	0.0	-79.50	357.80	4.54	-74.96
CC1=C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)NN=C1C(=O)[O-]	REAL300007051503	0	51	0.0	-76.99	384.41	5.73	-71.26
CC1=C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)NN=C1C(=O)[O-]	REAL300007051503	1	51	0.0	-82.51	380.73	5.51	-77.00
CC1=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)NN=C1C(=O)[O-]	REAL300007051505	0	40	0.0	-86.08	331.86	5.24	-80.84
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300007051505	1	40	0.0	-78.30	334.24	5.10	-73.20
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC(C)=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300007051510	0	52	0.0	-87.70	401.75	7.75	-79.95
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300007051512	0	49	0.0	-87.86	379.86	7.05	-80.81
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)NN=C1C(=O)[O-]	REAL300007051516	0	46	0.0	-84.84	357.35	7.36	-77.48
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)NN=C1C(=O)[O-]	REAL300007051516	1	46	0.0	-81.66	357.26	7.27	-74.39
CC1=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051549	0	47	0.0	-85.38	370.77	8.89	-76.49
CC1=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051549	1	47	0.0	-86.41	373.15	8.96	-77.45
CC1=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)NN=C1C(=O)[O-]	REAL300007051561	0	40	0.0	-88.34	332.23	5.27	-83.07
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300007051561	1	40	0.0	-81.81	334.60	5.12	-76.69
CC1=C(NC(=O)C2=CC=NN2CC[NH+](C)C)NN=C1C(=O)[O-]	REAL300007051562	0	40	0.0	-72.38	327.34	5.26	-67.12
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300007051562	1	40	0.0	-61.53	329.68	5.08	-56.45
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300007051567	1	41	0.0	-74.56	333.51	6.95	-67.61
CC1=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)NN=C1C(=O)[O-]	REAL300007051570	1	41	0.0	-84.40	333.30	4.82	-79.58
CC1=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)NN=C1C(=O)[O-]	REAL300007051570	1	41	0.0	-82.43	328.66	4.35	-78.08
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)NN=C1C(=O)[O-]	REAL300007051581	0	47	0.0	-85.07	368.86	9.21	-75.86
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)NN=C1C(=O)[O-]	REAL300007051581	1	47	0.0	-84.45	375.07	9.00	-75.45
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)NN=C1C(=O)[O-]	REAL300007051586	0	48	0.0	-87.68	377.59	6.46	-81.22
CC1=C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)NN=C1C(=O)[O-]	REAL300007051627	1	47	0.0	-87.38	369.39	7.31	-80.07
CC1=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)NN=C1C(=O)[O-]	REAL300007051628	0	47	0.0	-81.74	352.85	7.60	-74.14
CC1=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)NN=C1C(=O)[O-]	REAL300007051628	1	47	0.0	-79.64	353.19	7.66	-71.98
CC1=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)NN=C1C(=O)[O-]	REAL300007051648	0	52	0.0	-88.67	403.26	7.94	-80.73
CC1=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)NN=C1C(=O)[O-]	REAL300007051648	1	52	0.0	-85.83	399.64	8.20	-77.63
CC1=C(NC(=O)C(C)(C)C[NH+]2CCOCC2)NN=C1C(=O)[O-]	REAL300007051655	0	44	0.0	-77.80	328.35	4.83	-72.97
CC1=C(NC(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)NN=C1C(=O)[O-]	REAL300007051658	0	53	0.0	-87.75	405.92	7.74	-80.01
CC1=C(NC(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)NN=C1C(=O)[O-]	REAL300007051658	1	53	0.0	-88.94	398.75	7.23	-81.71
CC1=C(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)NN=C1C(=O)[O-]	REAL300007051659	0	47	0.0	-90.74	371.56	6.56	-84.18
CC1=C(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)NN=C1C(=O)[O-]	REAL300007051659	1	47	0.0	-90.84	371.60	6.57	-84.27
CC1=C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)NN=C1C(=O)[O-]	REAL300007051665	0	49	0.0	-77.30	384.37	6.66	-70.64
CC1=C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)NN=C1C(=O)[O-]	REAL300007051666	0	49	0.0	-81.68	384.29	6.67	-75.01
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)C=C1	REAL300007051667	0	50	0.0	-82.45	390.69	8.37	-74.08
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=NNC(C(=O)[O-])=C2C)C=C1	REAL300007051667	1	50	0.0	-76.41	389.26	7.94	-68.47
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)NN=C1C(=O)[O-]	REAL300007051762	0	51	0.0	-88.46	398.93	6.41	-82.05
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007051762	1	51	0.0	-81.68	401.29	6.24	-75.44
CC1=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)NN=C1C(=O)[O-]	REAL300007051766	0	40	0.0	-81.57	325.69	7.25	-74.32
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300007051766	1	40	0.0	-73.53	328.06	7.07	-66.46
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051767	0	47	0.0	-79.10	362.45	9.13	-69.97
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051767	1	47	0.0	-79.06	362.39	9.14	-69.92
CC1=C(NC(=O)C2=CC=CC=C2C[NH+](C)C)NN=C1C(=O)[O-]	REAL300007051823	0	40	0.0	-68.30	318.45	7.47	-60.83
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300007051823	1	40	0.0	-56.72	320.79	7.32	-49.40
CC[NH+]1CCN(CCC(=O)NC2=C(C)C(C(=O)[O-])=NN2)CC1	REAL300007051825	0	45	0.0	-80.71	345.01	4.26	-76.45
CCN1CC[NH+](CCC(=O)NC2=C(C)C(C(=O)[O-])=NN2)CC1	REAL300007051825	1	45	0.0	-83.13	346.16	4.40	-78.73
CC1=C(NC(=O)C(C(C)C)[NH+]2CCCCC2)NN=C1C(=O)[O-]	REAL300007051828	0	46	0.0	-75.76	338.85	7.59	-68.17
CC1=C(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)NN=C1C(=O)[O-]	REAL300007051829	1	40	0.0	-76.22	322.28	7.23	-68.99
CC1=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051833	0	45	0.0	-79.07	361.43	5.19	-73.88
CC1=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)NN=C1C(=O)[O-]	REAL300007051833	1	45	0.0	-79.98	360.88	5.21	-74.77
CC1=C(NC(=O)CCN2C=C[NH+]=C2C(C)C)NN=C1C(=O)[O-]	REAL300007051838	1	41	0.0	-74.12	332.97	6.90	-67.22
CC1=C(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)NN=C1C(=O)[O-]	REAL300007051839	0	43	0.0	-72.03	346.80	7.57	-64.46
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300007051839	1	43	0.0	-60.58	349.16	7.43	-53.15
CC[NH+](CC)C(C(=O)NC1=C(C)C(C(=O)[O-])=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300007051841	0	49	0.0	-80.31	388.32	9.03	-71.28
CC1=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)NN=C1C(=O)[O-]	REAL300007051844	0	44	0.0	-79.49	324.23	6.79	-72.70
CC1=C(NC(=O)C2CCC[N@H+]2C2CCCC2)NN=C1C(=O)[O-]	REAL300007051844	1	44	0.0	-75.27	330.90	7.14	-68.13
CC1=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)NN=C1C(=O)[O-]	REAL300007051892	1	45	0.0	-84.72	360.47	7.66	-77.06
CC1=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)NN=C1C(=O)[O-]	REAL300007051892	1	45	0.0	-84.56	360.68	7.64	-76.92
CC[NH+](CC)CC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)O1	REAL300007051944	0	43	0.0	-82.02	343.38	6.65	-75.37
CC1=C(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)NN=C1C(=O)[O-]	REAL300007051945	1	46	0.0	-77.52	361.60	6.82	-70.70
CC1=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007051946	1	40	0.0	-86.00	324.22	7.34	-78.66
CC1=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)NN=C1C(=O)[O-]	REAL300007051946	1	40	0.0	-86.00	324.27	7.35	-78.65
CC1=C(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)NN=C1C(=O)[O-]	REAL300007051949	0	52	0.0	-84.01	393.69	7.60	-76.41
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300007051949	1	52	0.0	-77.75	396.07	7.45	-70.30
CC1=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)NN=C1C(=O)[O-]	REAL300007051992	0	47	0.0	-86.14	373.01	8.82	-77.32
CC1=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)NN=C1C(=O)[O-]	REAL300007051992	1	47	0.0	-83.93	372.85	8.82	-75.11
CC1=C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)NN=C1C(=O)[O-]	REAL300007052010	0	48	0.0	-84.41	390.00	8.22	-76.19
CC1=C(C(=O)[O-])NN=C1NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300007052010	1	48	0.0	-78.15	392.41	8.05	-70.10
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)NN=C1C(=O)[O-]	REAL300007052028	0	44	0.0	-82.99	352.60	7.34	-75.65
CC1=C(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)NN=C1C(=O)[O-]	REAL300007052058	0	46	0.0	-83.56	361.53	6.96	-76.60
CC1=C(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)NN=C1C(=O)[O-]	REAL300007052058	1	46	0.0	-78.13	360.55	6.98	-71.15
CC1=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)NN=C1C(=O)[O-]	REAL300007052291	0	48	0.0	-86.06	376.24	9.20	-76.86
CC1=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)NN=C1C(=O)[O-]	REAL300007052291	1	48	0.0	-87.68	378.57	9.22	-78.46
CC1=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)NN=C1C(=O)[O-]	REAL300007052403	0	37	0.0	-88.95	301.92	5.40	-83.55
CC1=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)NN=C1C(=O)[O-]	REAL300007052403	1	37	0.0	-85.16	304.96	5.22	-79.94
CC1=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)NN=C1C(=O)[O-]	REAL300007052826	0	43	0.0	-81.82	348.19	8.08	-73.74
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300007052826	1	43	0.0	-74.62	350.55	7.91	-66.71
CC1=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)NN=C1C(=O)[O-]	REAL300007052832	0	44	0.0	-83.95	355.48	7.03	-76.92
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300007052832	1	44	0.0	-78.37	357.88	6.87	-71.50
CC1=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)NN=C1C(=O)[O-]	REAL300007052907	0	50	0.0	-82.43	387.27	9.68	-72.75
CC1=C(C(=O)[O-])NN=C1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007052907	1	50	0.0	-70.07	389.70	9.53	-60.54
CC1=C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)NN=C1C(=O)[O-]	REAL300007052909	1	48	0.0	-88.31	373.03	7.41	-80.90
CC1=C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)NN=C1C(=O)[O-]	REAL300007052909	1	48	0.0	-88.43	373.09	7.41	-81.02
CC1=C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)NN=C1C(=O)[O-]	REAL300007052994	0	46	0.0	-79.75	348.91	7.46	-72.29
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CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007053304	1	46	0.0	-72.78	335.06	8.89	-63.89
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CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300007053308	1	45	0.0	-59.39	332.65	7.97	-51.42
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC1	REAL300007053309	0	53	0.0	-69.17	394.22	10.79	-58.38
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC1	REAL300007053309	1	53	0.0	-69.39	394.62	10.71	-58.68
CCOC1=CC(C(=O)N2CCC([N@H+](C)C(C)C)CC2)=CC=C1OCC(=O)[O-]	REAL300007053310	0	57	0.0	-78.34	416.75	9.80	-68.54
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CC(C)[N@H+](C)C1CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007053311	0	52	0.0	-77.63	382.81	10.77	-66.86
CC(C)[N@@H+](C)C1CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007053311	1	52	0.0	-77.65	382.65	10.76	-66.89
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CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300007053312	1	45	0.0	-81.95	332.34	7.13	-74.82
CC(C)[N@H+](C)C1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007053313	0	50	0.0	-77.96	369.69	10.43	-67.53
CC(C)[N@@H+](C)C1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007053313	1	50	0.0	-78.09	369.49	10.44	-67.65
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CC(C)[N@@H+](C)C1CCN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007053314	1	54	0.0	-76.96	415.45	5.64	-71.32
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300007053315	0	48	0.0	-60.23	362.24	9.55	-50.68
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300007053315	1	48	0.0	-60.72	363.88	9.52	-51.20
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300007053316	0	48	0.0	-60.23	362.24	9.55	-50.68
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300007053316	1	48	0.0	-60.72	363.88	9.52	-51.20
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CC(C)[N@H+](C)C1CCN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300007053318	0	53	0.0	-73.32	392.77	10.04	-63.28
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300007053318	1	53	0.0	-73.58	393.38	10.00	-63.58
CC(C)[N@H+](C)C1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC1	REAL300007053319	0	52	0.0	-73.82	373.80	10.50	-63.32
CC(C)[N@@H+](C)C1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC1	REAL300007053319	1	52	0.0	-74.07	374.16	10.53	-63.54
CC1=CC(C(=O)N2CCC([N@@H+](C)C(C)C)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300007053320	0	56	0.0	-74.78	411.95	10.72	-64.06
CC1=CC(C(=O)N2CCC([N@H+](C)C(C)C)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300007053320	1	56	0.0	-74.58	411.60	10.71	-63.87
CC(C)[N@H+](C)C1CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300007053321	0	49	0.0	-86.16	361.74	9.95	-76.21
CC(C)[N@@H+](C)C1CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300007053321	1	49	0.0	-85.92	361.26	9.94	-75.98
CC(C)[N@H+](C)C1CCN(C(=O)C2CCCC(C(=O)[O-])C2)CC1	REAL300007053322	0	52	0.0	-68.96	351.56	9.07	-59.89
CC(C)[N@@H+](C)C1CCN(C(=O)C2CCCC(C(=O)[O-])C2)CC1	REAL300007053322	1	52	0.0	-82.18	358.67	9.18	-73.00
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300007053323	0	45	0.0	-75.34	332.24	7.13	-68.21
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300007053323	1	45	0.0	-72.74	330.34	6.97	-65.77
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300007053324	0	45	0.0	-63.18	330.76	7.95	-55.23
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300007053324	1	45	0.0	-63.08	331.53	8.02	-55.06
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300007053325	0	46	0.0	-70.97	343.89	9.03	-61.94
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300007053325	1	46	0.0	-70.68	344.00	9.03	-61.65
CC(C)[N@H+](C)C1CCN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CC1	REAL300007053326	0	44	0.0	-66.46	326.90	6.17	-60.29
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CC1	REAL300007053326	1	44	0.0	-66.12	327.07	6.17	-59.95
CC(C)[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300007053327	0	52	0.0	-72.63	361.13	9.28	-63.35
CC(C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300007053327	1	52	0.0	-72.45	361.32	9.30	-63.15
CC(C)[N@H+](C)C1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300007053328	0	52	0.0	-73.31	360.86	9.23	-64.08
CC(C)[N@@H+](C)C1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300007053328	1	52	0.0	-83.31	350.91	9.08	-74.23
CC(C)[N@H+](C)C1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007053329	0	49	0.0	-86.35	361.41	9.94	-76.41
CC(C)[N@@H+](C)C1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007053329	1	49	0.0	-86.33	361.26	9.95	-76.38
CC(C)[N@H+](C)C1CCN(C(=O)CN2C=C(C(=O)[O-])N=N2)CC1	REAL300007053330	0	45	0.0	-87.57	338.84	5.87	-81.70
CC(C)[N@@H+](C)C1CCN(C(=O)CN2C=C(C(=O)[O-])N=N2)CC1	REAL300007053330	1	45	0.0	-87.96	338.96	5.85	-82.11
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CC1=NC(C(=O)N2CCC([N@H+](C)C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300007053331	1	48	0.0	-65.11	351.75	8.61	-56.50
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300007053332	0	46	0.0	-60.20	356.10	9.46	-50.74
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300007053332	1	46	0.0	-74.60	357.24	9.46	-65.14
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007053333	0	46	0.0	-72.75	334.85	8.87	-63.88
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007053333	1	46	0.0	-72.78	335.06	8.89	-63.89
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300007053334	0	49	0.0	-69.20	358.60	9.66	-59.54
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300007053334	1	49	0.0	-79.73	356.85	9.61	-70.12
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300007053335	0	56	0.0	-84.36	403.37	12.73	-71.63
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300007053335	1	56	0.0	-84.14	403.47	12.67	-71.47
CC(C)[N@H+](C)C1CCN(C(=O)C2=C(CC(=O)[O-])OC=C2)CC1	REAL300007053336	0	46	0.0	-68.11	338.13	7.93	-60.18
CC(C)[N@@H+](C)C1CCN(C(=O)C2=C(CC(=O)[O-])OC=C2)CC1	REAL300007053336	1	46	0.0	-70.93	335.87	7.87	-63.06
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CC(C)[N@@H+](C)C1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)CC1	REAL300007053339	1	55	0.0	-80.47	380.05	10.19	-70.28
CC(C)[N@H+](C)C1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	REAL300007053340	0	53	0.0	-84.10	363.08	9.33	-74.77
CC(C)[N@@H+](C)C1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	REAL300007053340	1	53	0.0	-83.70	363.33	9.33	-74.37
CC(C)[N@H+](C)C1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300007053341	0	56	0.0	-75.91	370.64	9.55	-66.36
CC(C)[N@@H+](C)C1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300007053341	1	56	0.0	-76.06	370.43	9.54	-66.52
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300007053342	0	48	0.0	-85.98	364.71	7.95	-78.03
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300007053342	1	48	0.0	-84.37	365.09	7.94	-76.43
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CC(C)[N@@H+](C)C1CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300007053344	1	59	0.0	-72.70	416.00	12.17	-60.53
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CC(C)[N@H+](C)C1CCN(C(=O)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300007053347	0	46	0.0	-83.75	343.47	7.36	-76.39
CC(C)[N@@H+](C)C1CCN(C(=O)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300007053347	1	46	0.0	-84.11	343.45	7.41	-76.70
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CCC1=C(C(=O)[O-])SC(NC(=O)C2=NOC(C[NH+](C)C)=C2)=C1	REAL300007057853	1	39	0.0	-86.14	335.75	6.99	-79.15
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CCC[N@H+]1CCCC(C(=O)NC2=CC(CC)=C(C(=O)[O-])S2)C1	REAL300007058104	1	46	0.0	-80.11	360.40	8.95	-71.16
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CCC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](C(C)C)C2)=C1	REAL300007058376	1	46	0.0	-78.38	355.54	8.73	-69.65
CCC1=C(C(=O)[O-])SC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=C1	REAL300007058377	0	40	0.0	-90.39	331.97	7.83	-82.56
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CCC1=C(C(=O)[O-])SC(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)=C1	REAL300007059140	0	49	0.0	-84.48	359.02	8.60	-75.88
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CCC1=C(C(=O)[O-])SC(NC(=O)C23CC(C2)CN3C2CC2)=C1	REAL300007059143	0	42	0.0	-78.45	333.85	8.57	-69.88
CCC1=C(C(=O)[O-])SC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300007059143	1	42	0.0	-81.11	333.64	9.02	-72.09
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CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300007060874	1	50	0.0	-79.60	399.37	11.07	-68.53
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300007061765	0	47	0.0	-84.81	366.09	9.38	-75.43
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+]2C2CC2)=C1	REAL300007061791	1	44	0.0	-83.83	344.25	9.06	-74.77
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+]2C2CC2)=C1	REAL300007061791	1	44	0.0	-76.30	349.07	8.92	-67.38
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C(C)C)=C(C(=O)[O-])S3)CN21	REAL300007061797	1	45	0.0	-76.31	365.27	9.28	-67.03
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300007061798	0	53	0.0	-78.52	421.01	11.71	-66.81
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@@H+]2C)=C1	REAL300007061879	1	43	0.0	-77.16	338.92	8.10	-69.06
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@H+]2C)=C1	REAL300007061879	1	43	0.0	-79.78	329.40	7.94	-71.84
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C)N2CC[NH+](C)CC2)=C1	REAL300007061880	1	48	0.0	-81.32	370.00	6.34	-74.98
CC(C)C1=C(C(=O)[O-])SC(NC(=O)[C@@H]2CCCC[N@@H+]2C)=C1	REAL300007061922	1	43	0.0	-79.14	328.72	7.93	-71.21
CC(C)C1=C(C(=O)[O-])SC(NC(=O)[C@@H]2CCCC[N@H+]2C)=C1	REAL300007061922	1	43	0.0	-77.36	338.91	8.13	-69.23
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](C)CC2)=C1	REAL300007062010	0	43	0.0	-87.73	341.24	8.18	-79.55
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300007062035	0	38	0.0	-82.82	327.04	10.04	-72.78
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2(C[NH+](C)C)CCCCC2)=C1	REAL300007062068	0	52	0.0	-83.68	380.47	10.07	-73.61
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CC[N@H+](C)C2CCCCC2)=C1	REAL300007062073	0	52	0.0	-85.26	395.10	10.11	-75.15
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CC[N@@H+](C)C2CCCCC2)=C1	REAL300007062073	1	52	0.0	-85.30	395.11	10.12	-75.18
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](C)CC2)=C1	REAL300007062143	0	43	0.0	-87.73	341.24	8.18	-79.55
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300007062148	0	46	0.0	-89.43	384.65	9.13	-80.30
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300007062171	0	53	0.0	-76.50	388.72	10.43	-66.07
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300007062171	1	53	0.0	-75.02	394.26	10.35	-64.67
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300007062172	0	54	0.0	-89.37	408.40	8.78	-80.59
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007062205	1	44	0.0	-80.00	367.88	9.43	-70.57
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300007062206	1	50	0.0	-86.89	394.96	8.11	-78.78
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300007062209	0	55	0.0	-90.72	415.81	11.44	-79.28
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300007062209	1	55	0.0	-89.43	414.21	11.31	-78.12
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300007062259	0	50	0.0	-84.08	400.70	10.97	-73.11
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300007062259	1	50	0.0	-84.17	400.78	11.02	-73.15
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300007062260	0	51	0.0	-93.17	400.46	10.40	-82.77
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300007062285	0	54	0.0	-85.32	393.42	8.37	-76.95
CCC(C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1)[NH+](CC)CC	REAL300007062289	0	48	0.0	-74.13	361.93	8.94	-65.19
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1	REAL300007062291	1	49	0.0	-83.02	391.60	10.50	-72.52
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300007062291	1	49	0.0	-82.48	391.56	10.54	-71.94
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=C1	REAL300007062323	0	45	0.0	-87.92	370.60	8.15	-79.77
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007062332	0	54	0.0	-83.61	414.94	10.43	-73.18
CC[N@H+](C)C(C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007062333	1	49	0.0	-78.86	384.19	10.45	-68.41
CC[N@@H+](C)C(C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007062333	1	49	0.0	-76.63	389.41	10.67	-65.96
CC[NH+](CC)C(C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007062338	0	52	0.0	-79.63	396.45	10.84	-68.79
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CN2C=C[NH+]=C2C(C)C)=C1	REAL300007062347	1	44	0.0	-76.47	362.36	9.25	-67.22
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300007062365	0	50	0.0	-91.09	399.63	11.17	-79.92
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300007062373	0	53	0.0	-83.36	416.60	11.87	-71.49
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2(C[NH+](C)C)CC2)=C1	REAL300007062379	0	43	0.0	-81.87	345.43	8.14	-73.73
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCCC[NH+](C)C)=C1	REAL300007062388	0	45	0.0	-85.01	362.06	8.66	-76.35
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C(C)C)[NH+](C)C)=C1	REAL300007062397	0	45	0.0	-80.07	340.48	8.00	-72.07
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300007062410	1	53	0.0	-78.31	414.70	11.64	-66.67
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300007062410	1	53	0.0	-79.85	405.89	11.49	-68.36
CC1=C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C=NN1C1=CC=[NH+]C=C1	REAL300007062412	1	44	0.0	-88.71	372.13	8.42	-80.29
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300007062420	0	53	0.0	-91.51	416.58	11.88	-79.63
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300007062434	1	46	0.0	-85.13	380.52	8.70	-76.43
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=C1	REAL300007062435	0	49	0.0	-92.90	397.31	10.87	-82.03
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)C2CCC2)=C1	REAL300007062480	0	43	0.0	-79.95	343.03	8.51	-71.44
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)C2CCC2)=C1	REAL300007062480	1	43	0.0	-79.30	342.91	8.51	-70.79
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)CC(C)(C)C)=C1	REAL300007062509	0	48	0.0	-81.72	367.04	9.07	-72.65
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)CC(C)(C)C)=C1	REAL300007062509	1	48	0.0	-82.05	365.71	8.99	-73.06
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=C1	REAL300007062511	1	49	0.0	-85.67	395.82	10.97	-74.70
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=C1	REAL300007062511	1	49	0.0	-85.87	396.04	10.97	-74.90
COCCOCC[N@H+](C)CCC(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007062512	0	53	0.0	-84.52	424.91	7.14	-77.38
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007062512	1	53	0.0	-85.74	424.88	7.14	-78.60
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CC2(O)CCC[N@H+](C)C2)=C1	REAL300007062517	0	47	0.0	-76.23	367.01	6.79	-69.44
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=C1	REAL300007062517	1	47	0.0	-76.34	356.82	6.56	-69.78
CCCCCC[N@H+](C)CC(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007062541	0	51	0.0	-83.74	400.64	10.29	-73.45
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007062541	1	51	0.0	-83.54	400.41	10.29	-73.25
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C23CCC[NH+]2CCC3)=C1	REAL300007062551	0	44	0.0	-83.01	341.34	8.49	-74.52
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=C1	REAL300007062559	1	38	0.0	-88.32	326.43	10.04	-78.28
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)C2CCSC2)=C1	REAL300007062573	1	44	0.0	-86.13	355.97	8.78	-77.35
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)C2CCSC2)=C1	REAL300007062573	1	44	0.0	-87.10	356.18	8.76	-78.34
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=C1	REAL300007062589	0	54	0.0	-82.29	412.03	7.69	-74.60
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)=C1	REAL300007062590	0	57	0.0	-79.90	433.55	8.50	-71.40
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=C1	REAL300007062590	1	57	0.0	-84.74	430.58	8.34	-76.40
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300007062591	0	47	0.0	-72.70	360.51	9.33	-63.37
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300007062591	1	47	0.0	-78.74	353.66	9.10	-69.64
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)=C1	REAL300007062593	0	46	0.0	-88.97	380.32	8.01	-80.96
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=C1	REAL300007062604	0	52	0.0	-86.18	406.48	10.15	-76.03
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C1	REAL300007062604	1	52	0.0	-85.89	412.69	9.94	-75.95
CCCC(C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1)[NH+](C)C	REAL300007062630	0	45	0.0	-79.73	352.28	8.76	-70.97
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300007062632	0	53	0.0	-88.33	421.54	11.70	-76.63
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300007062632	1	53	0.0	-88.40	421.61	11.73	-76.67
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)=C1	REAL300007062647	0	46	0.0	-94.39	380.70	8.04	-86.35
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=NN2CC[NH+](C)C)=C1	REAL300007062648	0	46	0.0	-70.02	375.78	7.99	-62.03
CC(C)C1=C(C(=O)[O-])SC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=C1	REAL300007062653	0	43	0.0	-86.76	333.03	7.47	-79.29
CC(C)C1=C(C(=O)[O-])SC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=C1	REAL300007062653	1	43	0.0	-83.65	338.80	7.96	-75.69
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007062655	1	47	0.0	-76.99	382.65	9.73	-67.26
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)CC[N@@H+]1C	REAL300007062658	0	46	0.0	-84.48	353.34	8.21	-76.27
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)CC[N@H+]1C	REAL300007062658	1	46	0.0	-83.80	359.16	8.50	-75.30
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)=C1	REAL300007062660	1	47	0.0	-87.36	382.23	7.58	-79.78
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)=C1	REAL300007062660	1	47	0.0	-87.53	381.79	7.59	-79.94
CC1=[NH+]C=CN1CC(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007062678	1	38	0.0	-77.35	326.13	8.14	-69.21
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C)C[NH+]2CCOCC2)=C1	REAL300007062680	1	47	0.0	-84.25	368.16	7.24	-77.01
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[NH+]2CCC(C)CC2)=C1	REAL300007062695	1	46	0.0	-82.90	359.47	9.00	-73.90
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=C1	REAL300007062746	0	53	0.0	-81.05	401.52	10.44	-70.61
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=C1	REAL300007062746	1	53	0.0	-84.26	401.98	10.37	-73.89
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCC2CCC[N@@H+]2C)=C1	REAL300007062753	0	46	0.0	-81.25	358.40	8.55	-72.70
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCC2CCC[N@H+]2C)=C1	REAL300007062753	1	46	0.0	-85.78	363.43	9.01	-76.77
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C23CCC[NH+](CCC2)C3)=C1	REAL300007062766	0	47	0.0	-82.08	354.09	8.71	-73.37
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2(C)CC(O)C[N@@H+]2C)=C1	REAL300007062768	1	44	0.0	-87.87	343.98	4.83	-83.04
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2(C)CC(O)C[N@H+]2C)=C1	REAL300007062768	1	44	0.0	-87.07	341.17	4.48	-82.59
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC3CCCC[N@@H+]32)=C1	REAL300007062769	0	47	0.0	-75.00	363.91	9.49	-65.51
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC3CCCC[N@H+]32)=C1	REAL300007062769	1	47	0.0	-78.39	357.59	9.01	-69.38
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C)(C)C[NH+]2CCOCC2)=C1	REAL300007062776	1	50	0.0	-79.28	377.72	7.61	-71.67
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=C1	REAL300007062781	0	53	0.0	-91.24	410.65	9.04	-82.20
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=C1	REAL300007062781	1	53	0.0	-86.92	402.75	8.58	-78.34
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](C(C)C)CC2)=C1	REAL300007062793	0	49	0.0	-85.13	375.55	9.36	-75.77
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C23CC[NH+](CC2)C3)=C1	REAL300007062873	0	41	0.0	-85.20	328.22	7.04	-78.16
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C23CC[N@H+](C2)CCC3)=C1	REAL300007062883	0	44	0.0	-83.61	338.64	7.73	-75.88
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C23CC[N@@H+](C2)CCC3)=C1	REAL300007062883	1	44	0.0	-82.83	337.69	7.73	-75.10
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[NH+]2C(C)CCC2C)=C1	REAL300007062931	0	46	0.0	-78.44	353.61	8.52	-69.92
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)=C1	REAL300007062932	0	46	0.0	-84.24	374.80	10.01	-74.23
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300007062933	0	53	0.0	-81.40	417.16	11.69	-69.71
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300007062933	1	53	0.0	-79.17	410.88	11.90	-67.27
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2([NH+](C)C)CCC2)=C1	REAL300007062973	0	43	0.0	-85.12	328.51	7.84	-77.28
C#CC[NH+]1CCC(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)CC1	REAL300007063004	0	45	0.0	-88.17	365.91	9.33	-78.84
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007063006	0	49	0.0	-76.82	377.91	9.55	-67.27
CCC[N@H+]1CCCCC1C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007063006	1	49	0.0	-76.92	377.93	9.51	-67.41
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC=C2C[NH+](C)C)=C1	REAL300007063007	0	46	0.0	-65.93	367.17	10.28	-55.65
CC[NH+]1CCN(CCC(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)CC1	REAL300007063009	0	51	0.0	-84.83	394.36	7.03	-77.80
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C(C)C)[NH+]2CCCCC2)=C1	REAL300007063010	0	52	0.0	-78.54	388.86	10.49	-68.05
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)=C1	REAL300007063011	1	46	0.0	-77.43	371.42	10.01	-67.42
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300007063015	0	51	0.0	-79.72	409.90	7.95	-71.77
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300007063015	1	51	0.0	-80.83	409.37	7.97	-72.86
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCN2C=C[NH+]=C2C(C)C)=C1	REAL300007063020	1	47	0.0	-76.40	382.10	9.66	-66.74
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=C1	REAL300007063021	0	49	0.0	-69.11	395.27	10.34	-58.77
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=C1	REAL300007063027	0	50	0.0	-82.24	373.57	9.75	-72.49
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+]2C2CCCC2)=C1	REAL300007063027	1	50	0.0	-79.08	382.08	9.91	-69.17
CC[N@H+](CC(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1)C1CC1	REAL300007063029	1	43	0.0	-77.99	345.96	8.56	-69.43
CC[N@@H+](CC(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1)C1CC1	REAL300007063029	1	43	0.0	-77.62	341.69	8.29	-69.33
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C)[NH+]2CCCCCC2)=C1	REAL300007063059	0	49	0.0	-76.66	365.69	8.96	-67.70
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=C1	REAL300007063101	1	51	0.0	-87.89	409.81	10.41	-77.48
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=C1	REAL300007063101	1	51	0.0	-87.32	409.16	10.41	-76.91
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)O1	REAL300007063151	0	49	0.0	-87.29	392.17	9.42	-77.87
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCCC[NH+]2CCCC2)=C1	REAL300007063152	0	49	0.0	-83.52	388.02	9.83	-73.69
CC1=CC=C(N2CCC(C(=O)NC3=CC(C(C)C)=C(C(=O)[O-])S3)CC2)[NH+]=C1	REAL300007063154	1	52	0.0	-82.09	410.71	9.59	-72.50
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300007063155	1	46	0.0	-87.42	373.62	10.13	-77.29
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300007063155	1	46	0.0	-87.24	373.35	10.12	-77.12
CC(C)C1=C(C(=O)[O-])SC(NC(=O)[C@H](C(C)C)[NH+](C)C)=C1	REAL300007063166	0	45	0.0	-79.31	345.35	8.54	-70.77
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=NOC(C[NH+](C)C)=C2)=C1	REAL300007063213	1	42	0.0	-87.20	354.72	7.50	-79.70
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=C1	REAL300007063217	0	53	0.0	-86.77	418.42	11.53	-75.24
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=C1	REAL300007063217	1	53	0.0	-86.56	418.17	11.48	-75.08
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+]2C(C)C)=C1	REAL300007063231	0	46	0.0	-76.70	355.71	8.63	-68.07
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+]2C(C)C)=C1	REAL300007063231	1	46	0.0	-78.94	348.81	8.64	-70.30
CC(C)C1=C(C(=O)[O-])SC(NC(=O)COC2CC[NH+](C)CC2)=C1	REAL300007063257	0	47	0.0	-89.13	376.65	8.52	-80.61
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C1	REAL300007063262	0	50	0.0	-87.77	401.08	10.11	-77.66
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C1	REAL300007063454	0	49	0.0	-74.05	373.53	9.73	-64.32
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C1	REAL300007063454	1	49	0.0	-81.00	379.77	9.52	-71.48
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007063485	0	49	0.0	-80.30	370.19	9.61	-70.69
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007063485	1	49	0.0	-79.60	375.88	9.18	-70.42
CC(C)C1=C(C(=O)[O-])SC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=C1	REAL300007063592	0	54	0.0	-87.77	425.44	11.98	-75.79
CC(C)C1=C(C(=O)[O-])SC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=C1	REAL300007063592	1	54	0.0	-88.34	425.83	11.98	-76.36
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](C(C)C)C2)=C1	REAL300007063722	0	49	0.0	-74.04	369.32	9.52	-64.52
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](C(C)C)C2)=C1	REAL300007063722	1	49	0.0	-79.29	374.92	9.30	-69.99
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=C1	REAL300007063723	0	43	0.0	-87.95	354.04	8.00	-79.95
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=C1	REAL300007063723	1	43	0.0	-87.50	360.25	8.33	-79.17
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)N1	REAL300007063749	1	44	0.0	-77.72	366.93	7.81	-69.91
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=C1	REAL300007064246	0	49	0.0	-84.91	397.29	10.84	-74.07
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=C1	REAL300007064253	0	50	0.0	-90.96	404.61	9.80	-81.16
CC(C)C1=C(C(=O)[O-])SC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)=C1	REAL300007064390	0	43	0.0	-82.91	346.48	8.26	-74.65
CC(C)C1=C(C(=O)[O-])SC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=C1	REAL300007064394	0	49	0.0	-76.04	369.21	9.21	-66.83
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(C(C)C)=C(C(=O)[O-])S3)=CN21	REAL300007064398	0	41	0.0	-79.01	348.46	9.80	-69.21
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C1	REAL300007064462	0	52	0.0	-75.85	388.80	10.40	-65.45
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C1	REAL300007064462	1	52	0.0	-74.88	390.97	10.42	-64.46
CC[N@@H+]1CCCC(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C1	REAL300007064463	0	46	0.0	-81.10	359.17	8.80	-72.30
CC[N@H+]1CCCC(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C1	REAL300007064463	1	46	0.0	-73.72	352.02	8.99	-64.73
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](C)C2)=C1	REAL300007064467	0	43	0.0	-82.79	341.26	8.13	-74.66
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](C)C2)=C1	REAL300007064467	1	43	0.0	-74.32	335.04	8.35	-65.97
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+](C)C)O2)=C1	REAL300007064469	1	43	0.0	-89.27	360.52	8.33	-80.94
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)=C1	REAL300007064475	0	52	0.0	-84.30	386.04	9.63	-74.67
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=C1	REAL300007064475	1	52	0.0	-86.12	379.26	9.20	-76.92
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C23CC(C2)CN3C2CC2)=C1	REAL300007064478	0	45	0.0	-81.92	351.77	9.59	-72.33
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300007064478	1	45	0.0	-80.27	353.88	9.15	-71.12
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300007064478	1	45	0.0	-81.92	351.77	9.59	-72.33
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300007065444	0	60	0.0	-65.20	425.98	12.63	-52.57
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300007066695	0	54	0.0	-61.31	374.63	10.31	-51.00
CC1=[NH+]C=C2CCC(C(=O)NC3CC4CCC3(C(=O)[O-])C4(C)C)CN21	REAL300007066721	1	52	0.0	-54.25	372.86	10.20	-44.05
CC(C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)N1CC[NH+](C)CC1	REAL300007066788	1	55	0.0	-65.67	377.32	6.81	-58.86
C[N@@H+]1CCCC[C@H]1C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007066822	0	50	0.0	-64.64	346.13	8.54	-56.10
C[N@H+]1CCCC[C@H]1C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007066822	1	50	0.0	-64.06	340.33	8.29	-55.77
C[NH+]1CCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007066894	0	50	0.0	-64.66	348.24	8.85	-55.81
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300007066919	0	45	0.0	-64.21	334.87	10.54	-53.67
C[NH+](C)CC1(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CCCCC1	REAL300007066947	0	59	0.0	-52.18	389.52	9.90	-42.28
C[N@H+](CCC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C1CCCCC1	REAL300007066951	0	59	0.0	-74.90	407.54	10.43	-64.47
C[N@@H+](CCC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C1CCCCC1	REAL300007066951	1	59	0.0	-73.95	407.54	10.43	-63.52
C[NH+]1CCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067009	0	50	0.0	-64.66	348.24	8.85	-55.81
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300007067012	0	53	0.0	-68.74	392.62	9.82	-58.92
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300007067027	0	61	0.0	-67.15	415.39	9.48	-57.67
CC1=[NH+]C=CN1CCCC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067056	1	51	0.0	-71.40	376.61	9.86	-61.54
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCCC[NH+]1CCOCC1)C2	REAL300007067057	1	57	0.0	-83.14	407.40	8.43	-74.71
CC[N@H+](CC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=C1)C(C)C	REAL300007067059	0	62	0.0	-67.01	428.02	12.02	-54.99
CC[N@@H+](CC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=C1)C(C)C	REAL300007067059	1	62	0.0	-67.27	422.28	11.74	-55.53
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007067096	0	57	0.0	-58.27	407.52	11.63	-46.64
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007067096	1	57	0.0	-58.20	408.51	11.87	-46.33
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300007067097	0	58	0.0	-68.67	405.00	11.08	-57.59
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CC1([NH+]3CCOCC3)CCCC1)C2	REAL300007067123	0	61	0.0	-60.00	400.76	8.90	-51.10
CCC(C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)[NH+](CC)CC	REAL300007067127	0	55	0.0	-47.35	371.25	9.48	-37.87
CC(C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300007067129	0	56	0.0	-50.00	399.62	11.05	-38.95
CC(C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300007067129	1	56	0.0	-48.77	398.25	11.19	-37.58
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300007067138	0	63	0.0	-64.73	448.60	13.11	-51.62
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300007067138	1	63	0.0	-64.52	448.28	13.14	-51.38
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=N1	REAL300007067151	0	52	0.0	-68.56	378.65	8.67	-59.89
CCC[NH+](CCC)CCCC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067157	0	61	0.0	-60.70	421.75	11.10	-49.60
C[N@@H+]1CCOC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007067159	1	48	0.0	-87.69	342.45	7.33	-80.36
C[N@H+]1CCOC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007067159	1	48	0.0	-66.08	342.21	7.51	-58.57
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067167	1	51	0.0	-51.25	370.45	9.76	-41.49
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300007067182	0	57	0.0	-70.72	407.66	11.69	-59.03
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300007067188	0	60	0.0	-69.97	424.42	12.39	-57.58
C[NH+](C)CC1(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067193	0	50	0.0	-39.96	354.52	9.25	-30.71
C[NH+](C)CCCCC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067201	0	52	0.0	-64.93	369.04	9.32	-55.61
CC1=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300007067222	1	51	0.0	-75.94	379.81	8.86	-67.08
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300007067225	0	60	0.0	-72.50	424.41	12.40	-60.10
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300007067237	1	53	0.0	-73.45	388.11	9.14	-64.31
C[NH+](C)CCC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300007067238	0	56	0.0	-74.96	405.34	11.38	-63.58
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067244	1	49	0.0	-51.86	353.37	8.06	-43.80
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300007067245	1	58	0.0	-59.86	409.05	10.76	-49.10
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300007067245	1	58	0.0	-82.54	412.30	10.54	-72.00
C[N@H+](CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C1CCC1	REAL300007067265	0	50	0.0	-50.76	350.80	9.02	-41.74
C[N@@H+](CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C1CCC1	REAL300007067265	1	50	0.0	-51.85	350.95	9.03	-42.82
CC(C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)[NH+]1CCSCC1	REAL300007067286	1	51	0.0	-53.83	359.98	8.90	-44.93
C[N@H+](CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)CC(C)(C)C	REAL300007067292	0	55	0.0	-51.91	372.88	9.47	-42.44
C[N@@H+](CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)CC(C)(C)C	REAL300007067292	1	55	0.0	-52.60	374.58	9.58	-43.02
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067294	0	56	0.0	-56.86	403.84	11.48	-45.38
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067294	1	56	0.0	-56.48	403.84	11.47	-45.01
COCCOCC[N@H+](C)CCC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067295	0	60	0.0	-73.98	437.27	7.45	-66.53
COCCOCC[N@@H+](C)CCC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067295	1	60	0.0	-59.17	432.88	7.66	-51.51
C[N@@H+]1CCCC(O)(CC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007067299	0	54	0.0	-70.47	372.89	7.11	-63.36
C[N@H+]1CCCC(O)(CC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007067299	1	54	0.0	-71.61	364.52	7.21	-64.40
CCCCCC[N@H+](C)CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067311	0	58	0.0	-53.99	408.43	10.80	-43.19
CCCCCC[N@@H+](C)CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067311	1	58	0.0	-54.19	408.43	10.80	-43.39
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300007067325	1	45	0.0	-67.11	335.14	10.57	-56.54
C[N@H+](CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C1CCSC1	REAL300007067338	0	51	0.0	-55.64	364.20	9.27	-46.37
C[N@@H+](CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C1CCSC1	REAL300007067338	1	51	0.0	-58.08	363.97	9.29	-48.79
CC(C)[NH+]1CCN(CCC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067353	0	61	0.0	-62.93	419.01	8.36	-54.57
CC(C)N1CC[NH+](CCC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067353	1	61	0.0	-73.25	420.99	7.81	-65.44
CC(C)[NH+]1CCN(CCCC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067354	0	64	0.0	-80.80	445.98	8.82	-71.98
CC(C)N1CC[NH+](CCCC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067354	1	64	0.0	-61.96	438.05	8.81	-53.15
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300007067355	0	54	0.0	-48.47	367.40	9.96	-38.51
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCCC3CCC[N@H+]31)C2	REAL300007067355	1	54	0.0	-67.65	361.79	9.30	-58.35
C[NH+](C)CCN1C=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=N1	REAL300007067357	0	53	0.0	-85.25	389.95	8.45	-76.80
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300007067361	0	62	0.0	-61.83	437.50	10.37	-51.46
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300007067363	0	59	0.0	-63.79	409.28	10.39	-53.40
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300007067363	1	59	0.0	-59.98	413.72	10.60	-49.38
CC(C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007067368	1	57	0.0	-48.21	402.12	11.79	-36.42
CC(C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300007067368	1	57	0.0	-50.65	400.91	11.63	-39.02
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007067387	0	60	0.0	-76.53	430.42	12.29	-64.24
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007067387	1	60	0.0	-64.62	428.37	12.40	-52.22
C[NH+](C)CCN1C=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300007067400	0	53	0.0	-73.20	389.38	8.55	-64.65
C[NH+](C)CCN1N=CC=C1C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067401	0	53	0.0	-59.69	383.63	8.47	-51.22
C[C@@H]1[C@H](C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC[N@@H+]1C	REAL300007067403	0	50	0.0	-54.45	337.60	8.40	-46.05
C[C@@H]1[C@H](C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC[N@H+]1C	REAL300007067403	1	50	0.0	-54.00	342.68	8.70	-45.30
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067404	1	54	0.0	-70.28	395.09	10.04	-60.24
CC[C@@H]1[C@@H](C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC[N@@H+]1C	REAL300007067407	0	53	0.0	-63.03	361.59	8.71	-54.32
CC[C@@H]1[C@@H](C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC[N@H+]1C	REAL300007067407	1	53	0.0	-57.79	366.32	9.10	-48.69
CC1C[N@H+](C)CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300007067417	1	51	0.0	-68.27	355.39	8.19	-60.08
CC1C[N@@H+](C)CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300007067417	1	51	0.0	-81.08	358.48	7.99	-73.09
CC1=[NH+]C=CN1CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067424	1	45	0.0	-51.71	334.13	8.66	-43.05
CC(C[NH+]1CCOCC1)C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067426	0	54	0.0	-59.32	374.99	7.91	-51.41
CC1CC[NH+](CC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067441	0	53	0.0	-52.52	367.27	9.52	-43.00
CC[N@@H+]1CCOC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007067453	1	51	0.0	-62.49	352.87	8.01	-54.48
CC[N@H+]1CCOC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007067453	1	51	0.0	-78.00	353.41	7.79	-70.21
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067483	1	60	0.0	-68.17	427.47	11.12	-57.05
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300007067484	0	60	0.0	-57.19	409.62	11.08	-46.11
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300007067484	1	60	0.0	-71.67	410.74	10.55	-61.12
C[N@@H+]1CCCC1CCC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067491	0	53	0.0	-56.21	372.65	9.95	-46.26
C[N@H+]1CCCC1CCC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067491	1	53	0.0	-62.26	367.53	9.16	-53.10
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300007067502	0	54	0.0	-52.53	365.64	9.53	-43.00
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCC3CCCC[N@H+]31)C2	REAL300007067502	1	54	0.0	-48.66	371.43	10.14	-38.52
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3CC4CCC3(C(=O)[O-])C4(C)C)=C2)CC1	REAL300007067514	0	62	0.0	-71.84	441.54	9.96	-61.88
C[NH+]1CCN(CC2=CC=C(C(=O)NC3CC4CCC3(C(=O)[O-])C4(C)C)C=C2)CC1	REAL300007067515	0	62	0.0	-67.94	440.60	9.78	-58.16
CN1CC[NH+](CC2=CC=C(C(=O)NC3CC4CCC3(C(=O)[O-])C4(C)C)C=C2)CC1	REAL300007067515	1	62	0.0	-71.62	440.93	9.84	-61.78
CC(C)[NH+]1CCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067524	0	56	0.0	-61.39	378.91	9.80	-51.59
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C13CC[NH+](CC1)C3)C2	REAL300007067591	0	48	0.0	-61.59	335.50	7.93	-53.66
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C13CC[N@H+](C1)CCC3)C2	REAL300007067600	0	51	0.0	-85.55	348.78	8.15	-77.40
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300007067600	1	51	0.0	-72.37	347.22	7.91	-64.46
CC1CCC(C)[NH+]1CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067639	0	53	0.0	-62.71	364.57	8.67	-54.04
C[NH+](C)CC1=CC=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300007067640	0	53	0.0	-70.12	382.86	10.54	-59.58
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007067641	0	60	0.0	-60.29	425.68	12.22	-48.07
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007067641	1	60	0.0	-69.18	428.10	12.01	-57.17
C#CC[NH+]1CCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067695	0	52	0.0	-64.10	374.96	10.30	-53.80
CC[NH+]1CCN(CCC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067697	0	58	0.0	-64.68	402.27	7.84	-56.84
CCN1CC[NH+](CCC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067697	1	58	0.0	-57.98	403.31	7.69	-50.29
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067704	1	54	0.0	-69.35	394.54	9.99	-59.36
CC[N@H+](CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C1CC1	REAL300007067710	0	50	0.0	-62.66	358.14	8.86	-53.80
CC[N@@H+](CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C1CC1	REAL300007067710	1	50	0.0	-64.66	355.37	8.85	-55.81
CC(C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)[NH+]1CCCCCC1	REAL300007067737	0	56	0.0	-62.34	379.17	9.25	-53.09
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC4CCC3(C(=O)[O-])C4(C)C)=CC=C1N2	REAL300007067775	1	58	0.0	-77.85	418.19	10.97	-66.88
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC4CCC3(C(=O)[O-])C4(C)C)=CC=C1N2	REAL300007067775	1	58	0.0	-78.01	417.89	11.03	-66.98
CC[NH+](CC)CC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300007067814	0	56	0.0	-62.27	404.45	10.20	-52.07
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCCC[NH+]1CCCC1)C2	REAL300007067815	0	56	0.0	-63.95	396.03	10.35	-53.60
CC1=CC=C(N2CCC(C(=O)NC3CC4CCC3(C(=O)[O-])C4(C)C)CC2)[NH+]=C1	REAL300007067817	1	59	0.0	-60.46	419.25	10.54	-49.92
C[N@H+](CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)CC1=CC=CC=C1	REAL300007067818	1	53	0.0	-54.42	380.31	10.78	-43.64
C[N@@H+](CC(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)CC1=CC=CC=C1	REAL300007067818	1	53	0.0	-55.83	381.36	10.63	-45.20
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300007067843	1	48	0.0	-73.00	364.00	8.48	-64.52
C[NH+](C)CC1=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=NO1	REAL300007067866	1	49	0.0	-84.21	364.41	7.72	-76.49
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067870	0	60	0.0	-71.23	426.90	12.20	-59.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067870	1	60	0.0	-73.06	427.97	11.78	-61.28
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067885	0	53	0.0	-62.65	365.79	9.22	-53.43
CC(C)[N@H+]1CCCC1C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300007067885	1	53	0.0	-61.37	363.32	9.03	-52.34
C[NH+]1CCC(OCC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007067905	0	54	0.0	-84.38	385.59	8.98	-75.40
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300007067910	0	57	0.0	-64.51	409.79	10.64	-53.87
CCC[N@@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068060	0	56	0.0	-52.78	382.02	10.27	-42.51
CCC[N@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068060	1	56	0.0	-58.04	386.73	10.18	-47.86
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C2	REAL300007068086	1	54	0.0	-55.78	378.50	6.21	-49.57
CC(C)[N@@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068269	0	56	0.0	-57.64	382.68	10.21	-47.43
CC(C)[N@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068269	1	56	0.0	-54.47	376.58	10.21	-44.26
C[N@@H+]1CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C(C(F)(F)F)C1	REAL300007068270	0	50	0.0	-54.67	368.46	8.82	-45.85
C[N@H+]1CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C(C(F)(F)F)C1	REAL300007068270	1	50	0.0	-71.19	355.91	8.55	-62.64
CC1=C(C)[NH+]=C(CCC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)N1	REAL300007068294	1	51	0.0	-69.08	379.36	8.12	-60.96
C[NH+](C)CCC1=CC=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300007068686	0	56	0.0	-73.00	405.35	11.38	-61.62
C[NH+](C)CCOC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300007068693	0	57	0.0	-71.34	412.64	10.32	-61.02
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300007068783	0	63	0.0	-79.02	448.81	12.77	-66.25
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068812	0	50	0.0	-65.23	354.11	8.75	-56.48
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300007068816	0	56	0.0	-76.35	379.89	9.48	-66.87
CC1=[NH+]C=C2C=CC(C(=O)NC3CC4CCC3(C(=O)[O-])C4(C)C)=CN21	REAL300007068820	0	48	0.0	-59.58	356.29	10.33	-49.25
CC(C)C[N@@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068873	0	59	0.0	-55.99	395.99	11.30	-44.69
CC(C)C[N@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068873	1	59	0.0	-57.45	405.04	10.78	-46.67
CC[N@@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068874	0	53	0.0	-59.75	365.20	9.44	-50.31
CC[N@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068874	1	53	0.0	-68.27	368.87	9.47	-58.80
C[N@@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068878	0	50	0.0	-56.97	342.59	8.78	-48.19
C[N@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300007068878	1	50	0.0	-61.90	345.10	8.96	-52.94
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300007068880	1	50	0.0	-65.57	369.27	8.86	-56.71
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300007068888	0	52	0.0	-72.68	373.50	9.18	-63.50
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300007068888	1	52	0.0	-58.67	371.13	8.81	-49.86
CS(=O)(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N=C1	REAL300007068970	0	45	0.0	-54.38	366.36	3.04	-51.34
CS(=O)(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N=C1	REAL300007068970	1	45	0.0	-57.91	372.55	3.07	-54.84
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069093	0	50	0.0	-74.35	375.96	9.95	-64.40
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069093	1	50	0.0	-74.34	375.97	9.94	-64.40
O=C([O-])COC1=CC=CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069094	0	54	0.0	-80.89	407.05	10.22	-70.67
O=C([O-])COC1=CC=CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069094	1	54	0.0	-78.05	400.17	10.18	-67.87
O=C([O-])C1=CC=CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069095	0	50	0.0	-84.01	375.97	9.94	-74.07
O=C([O-])C1=CC=CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069095	1	50	0.0	-80.91	369.09	9.91	-71.00
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)S1	REAL300007069096	0	47	0.0	-67.69	370.26	9.11	-58.58
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)S1	REAL300007069096	1	47	0.0	-66.86	363.39	9.08	-57.78
O=C([O-])C1=CC=CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=N1	REAL300007069097	0	49	0.0	-62.92	374.09	8.21	-54.71
O=C([O-])C1=CC=CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=N1	REAL300007069097	1	49	0.0	-63.02	367.20	8.19	-54.83
CC(SC1=CC=CC=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300007069098	0	57	0.0	-77.73	422.45	11.68	-66.05
CC(SC1=CC=CC=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300007069098	1	57	0.0	-77.69	421.65	11.66	-66.03
O=C([O-])C1=CC=C(CCC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069099	0	56	0.0	-78.03	422.03	11.44	-66.59
O=C([O-])C1=CC=C(CCC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069099	1	56	0.0	-78.02	422.04	11.43	-66.59
O=C([O-])C1=CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=CC=N1	REAL300007069100	0	49	0.0	-86.18	372.06	8.19	-77.99
O=C([O-])C1=CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=CC=N1	REAL300007069100	1	49	0.0	-83.44	365.17	8.15	-75.29
O=C([O-])C1=CC=C(C=CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069101	0	54	0.0	-77.79	410.48	11.13	-66.66
O=C([O-])C1=CC=C(C=CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069101	1	54	0.0	-77.83	410.48	11.12	-66.71
O=C([O-])C1=CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=CC([N+](=O)[O-])=C1	REAL300007069102	0	52	0.0	-61.43	404.13	10.61	-50.82
O=C([O-])C1=CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=CC([N+](=O)[O-])=C1	REAL300007069102	1	52	0.0	-72.53	397.24	10.57	-61.96
O=C([O-])C1=CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=CC([N+](=O)[O-])=C1	REAL300007069103	0	52	0.0	-61.43	404.13	10.61	-50.82
O=C([O-])C1=CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=CC([N+](=O)[O-])=C1	REAL300007069103	1	52	0.0	-72.53	397.24	10.57	-61.96
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069104	0	57	0.0	-75.75	427.19	10.93	-64.82
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069104	1	57	0.0	-75.79	426.97	10.91	-64.88
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)O1	REAL300007069105	0	47	0.0	-63.06	355.53	8.32	-54.74
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)O1	REAL300007069105	1	47	0.0	-63.12	355.52	8.31	-54.81
O=C([O-])C1=CC=CC=C1CCC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069106	0	56	0.0	-71.37	413.44	11.17	-60.20
O=C([O-])C1=CC=CC=C1CCC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069106	1	56	0.0	-68.47	406.20	11.14	-57.33
CC1=CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300007069107	0	60	0.0	-74.67	441.82	11.66	-63.01
CC1=CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300007069107	1	60	0.0	-76.44	451.07	11.76	-64.68
O=C([O-])C1=CC(CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=CC=C1	REAL300007069108	0	53	0.0	-82.41	400.63	10.62	-71.79
O=C([O-])C1=CC(CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)=CC=C1	REAL300007069108	1	53	0.0	-78.53	393.75	10.59	-67.94
O=C([O-])C1CCCC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300007069109	0	56	0.0	-80.55	400.75	10.15	-70.40
O=C([O-])C1CCCC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300007069109	1	56	0.0	-77.95	387.38	9.97	-67.98
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=N1	REAL300007069110	0	49	0.0	-74.28	371.84	8.17	-66.11
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=N1	REAL300007069110	1	49	0.0	-73.26	364.96	8.14	-65.12
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)N=C1	REAL300007069111	0	49	0.0	-65.21	373.38	8.21	-57.00
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)N=C1	REAL300007069111	1	49	0.0	-64.41	366.49	8.18	-56.23
CC(C)(CC(=O)[O-])CC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069112	0	55	0.0	-72.52	385.12	9.38	-63.14
CC(C)(CC(=O)[O-])CC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069112	1	55	0.0	-69.98	378.23	9.35	-60.63
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(F)=C1	REAL300007069113	0	50	0.0	-72.69	373.61	9.99	-62.70
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(F)=C1	REAL300007069113	1	50	0.0	-72.72	373.61	9.98	-62.74
O=C([O-])C1=CN=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=N1	REAL300007069114	0	48	0.0	-67.62	368.97	6.35	-61.27
O=C([O-])C1=CN=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=N1	REAL300007069114	1	48	0.0	-66.78	362.07	6.32	-60.46
O=C([O-])[C@H]1CC[C@H](C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC1	REAL300007069115	0	56	0.0	-71.94	396.79	10.13	-61.81
O=C([O-])[C@H]1CC[C@H](C(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC1	REAL300007069115	1	56	0.0	-71.23	393.89	10.13	-61.10
O=C([O-])C1CCC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC1	REAL300007069116	0	56	0.0	-73.63	402.10	10.17	-63.46
O=C([O-])C1CCC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC1	REAL300007069116	1	56	0.0	-71.95	395.21	10.16	-61.79
O=C([O-])C1=CC=C(CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069117	0	53	0.0	-84.29	400.64	10.63	-73.66
O=C([O-])C1=CC=C(CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069117	1	53	0.0	-81.51	393.75	10.60	-70.91
O=C([O-])C1=CN(CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)N=N1	REAL300007069118	0	49	0.0	-85.95	377.82	6.59	-79.36
O=C([O-])C1=CN(CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)N=N1	REAL300007069118	1	49	0.0	-82.86	370.93	6.58	-76.28
CC1=NC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=CC=C1C(=O)[O-]	REAL300007069119	0	52	0.0	-66.79	393.31	8.82	-57.97
CC1=NC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=CC=C1C(=O)[O-]	REAL300007069119	1	52	0.0	-64.26	382.76	8.70	-55.56
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069120	0	50	0.0	-74.35	375.96	9.95	-64.40
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069120	1	50	0.0	-74.34	375.97	9.94	-64.40
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300007069121	0	53	0.0	-76.16	377.55	9.46	-66.70
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300007069121	1	53	0.0	-79.22	383.29	9.53	-69.69
O=C([O-])CC1=CC=CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069122	0	53	0.0	-77.69	398.16	10.71	-66.98
O=C([O-])CC1=CC=CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069122	1	53	0.0	-74.54	391.27	10.67	-63.87
O=C([O-])CC1=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=CO1	REAL300007069123	0	50	0.0	-76.73	378.42	8.86	-67.87
O=C([O-])CC1=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=CO1	REAL300007069123	1	50	0.0	-72.66	371.55	8.84	-63.82
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069124	0	53	0.0	-74.70	405.27	9.48	-65.22
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069124	1	53	0.0	-58.45	398.39	9.45	-49.00
O=C([O-])C1=CC=NC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069125	0	49	0.0	-72.59	373.58	8.23	-64.36
O=C([O-])C1=CC=NC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069125	1	49	0.0	-70.22	366.68	8.20	-62.02
O=C([O-])C12CC(C(=O)NCC3CCC[N@@H+](C4CCCC4)C3)(C1)C2	REAL300007069126	0	51	0.0	-70.70	372.53	9.49	-61.21
O=C([O-])C12CC(C(=O)NCC3CCC[N@H+](C4CCCC4)C3)(C1)C2	REAL300007069126	1	51	0.0	-70.86	372.49	9.49	-61.37
O=C([O-])C1(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCC1	REAL300007069127	0	50	0.0	-56.38	362.49	8.95	-47.43
O=C([O-])C1(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCC1	REAL300007069127	1	50	0.0	-58.05	364.12	8.92	-49.13
O=C(CC1CCC(C(=O)[O-])CC1)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069128	0	59	0.0	-79.10	420.78	10.88	-68.22
O=C(CC1CCC(C(=O)[O-])CC1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069128	1	59	0.0	-67.82	405.55	10.60	-57.22
O=C([O-])C12CCC(C(=O)NCC3CCC[N@@H+](C4CCCC4)C3)(CC1)C2	REAL300007069129	0	57	0.0	-81.50	409.69	10.32	-71.18
O=C([O-])C12CCC(C(=O)NCC3CCC[N@H+](C4CCCC4)C3)(CC1)C2	REAL300007069129	1	57	0.0	-81.82	410.02	10.32	-71.50
O=C([O-])C12CCC(C(=O)NCC3CCC[N@@H+](C4CCCC4)C3)(CC1)CC2	REAL300007069130	0	60	0.0	-75.83	419.53	10.85	-64.98
O=C([O-])C12CCC(C(=O)NCC3CCC[N@H+](C4CCCC4)C3)(CC1)CC2	REAL300007069130	1	60	0.0	-75.78	419.54	10.84	-64.94
CC(C)(CC(=O)[O-])CC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069131	0	55	0.0	-72.52	385.12	9.38	-63.14
CC(C)(CC(=O)[O-])CC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069131	1	55	0.0	-69.98	378.23	9.35	-60.63
CC(CC(=O)[O-])CC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069132	0	52	0.0	-74.59	375.37	9.00	-65.59
CC(CC(=O)[O-])CC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069132	1	52	0.0	-71.69	368.48	8.97	-62.72
O=C([O-])C1=C2N=CC=C(C(=O)NCC3CCC[N@@H+](C4CCCC4)C3)N2N=C1	REAL300007069133	0	52	0.0	-76.33	397.83	9.26	-67.07
O=C([O-])C1=C2N=CC=C(C(=O)NCC3CCC[N@H+](C4CCCC4)C3)N2N=C1	REAL300007069133	1	52	0.0	-76.49	390.95	9.22	-67.27
O=C([O-])CC1=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)NC2=CC=CC=C21	REAL300007069134	0	57	0.0	-81.90	428.13	10.65	-71.25
O=C([O-])CC1=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)NC2=CC=CC=C21	REAL300007069134	1	57	0.0	-78.05	421.24	10.63	-67.42
O=C([O-])C1=CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=NO1	REAL300007069135	0	46	0.0	-63.51	356.84	7.51	-56.00
O=C([O-])C1=CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=NO1	REAL300007069135	1	46	0.0	-62.42	349.96	7.47	-54.95
O=C([O-])C1(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCCC1	REAL300007069136	0	53	0.0	-57.71	373.28	9.58	-48.13
O=C([O-])C1(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCCC1	REAL300007069136	1	53	0.0	-60.70	380.14	9.61	-51.09
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC3CCC[N@@H+](C4CCCC4)C3)C2=C1	REAL300007069137	0	63	0.0	-72.82	454.94	12.84	-59.98
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC3CCC[N@H+](C4CCCC4)C3)C2=C1	REAL300007069137	1	63	0.0	-71.32	448.00	12.82	-58.50
CC1=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C(C(=O)[O-])O1	REAL300007069138	0	50	0.0	-66.88	372.22	9.08	-57.80
CC1=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C(C(=O)[O-])O1	REAL300007069138	1	50	0.0	-66.92	372.21	9.06	-57.86
CC1=C(C(=O)[O-])OC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069139	0	50	0.0	-63.79	380.32	8.92	-54.87
CC1=C(C(=O)[O-])OC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069139	1	50	0.0	-63.51	373.45	8.89	-54.62
O=C([O-])C1=CN(CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)N=C1	REAL300007069140	0	50	0.0	-82.07	382.72	8.08	-73.99
O=C([O-])C1=CN(CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)N=C1	REAL300007069140	1	50	0.0	-79.13	375.80	8.07	-71.06
O=C([O-])C=CC1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)O1	REAL300007069141	0	51	0.0	-66.50	388.65	9.51	-56.99
O=C([O-])C=CC1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)O1	REAL300007069141	1	51	0.0	-66.44	388.64	9.50	-56.94
O=C([O-])C1(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC2(CCC2)C1	REAL300007069142	0	57	0.0	-56.28	407.09	10.65	-45.63
O=C([O-])C1(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC2(CCC2)C1	REAL300007069142	1	57	0.0	-54.69	399.46	10.72	-43.97
O=C([O-])COC1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069143	0	54	0.0	-74.01	406.97	10.24	-63.77
O=C([O-])COC1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069143	1	54	0.0	-72.17	400.08	10.19	-61.98
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300007069144	0	59	0.0	-82.72	444.28	10.52	-72.20
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300007069144	1	59	0.0	-80.36	436.92	10.50	-69.86
O=C([O-])CSCCC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069145	0	50	0.0	-71.26	385.80	9.14	-62.12
O=C([O-])CSCCC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069145	1	50	0.0	-69.31	378.91	9.11	-60.20
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)N=C1	REAL300007069146	0	49	0.0	-65.21	373.38	8.21	-57.00
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)N=C1	REAL300007069146	1	49	0.0	-64.41	366.49	8.18	-56.23
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069147	0	50	0.0	-72.25	371.53	7.57	-64.68
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069147	1	50	0.0	-72.31	371.32	7.59	-64.72
C[C@@H]1C[C@H](C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)O[C@H]1C(=O)[O-]	REAL300007069148	0	54	0.0	-77.70	392.98	9.42	-68.28
C[C@@H]1C[C@H](C(=O)NCC2CCC[N@H+](C3CCCC3)C2)O[C@H]1C(=O)[O-]	REAL300007069148	1	54	0.0	-77.22	391.31	9.43	-67.79
CC(C)(CCC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069149	0	55	0.0	-77.92	393.93	9.51	-68.41
CC(C)(CCC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069149	1	55	0.0	-74.94	387.04	9.48	-65.46
O=C([O-])CC1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069150	0	53	0.0	-71.53	398.15	10.72	-60.81
O=C([O-])CC1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069150	1	53	0.0	-69.52	391.26	10.68	-58.84
O=C([O-])C=CC1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069151	0	54	0.0	-75.70	408.04	11.23	-64.47
O=C([O-])C=CC1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069151	1	54	0.0	-74.15	401.15	11.19	-62.96
O=C([O-])C1=COC(C=CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069152	0	51	0.0	-72.56	388.16	9.36	-63.20
O=C([O-])C1=COC(C=CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069152	1	51	0.0	-74.50	395.05	9.38	-65.12
O=C([O-])CCC1=CC=CC=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069153	0	56	0.0	-75.10	404.12	11.46	-63.64
O=C([O-])CCC1=CC=CC=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069153	1	56	0.0	-75.04	404.05	11.45	-63.59
O=C([O-])C1=C(COCC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)OC=N1	REAL300007069154	0	53	0.0	-83.45	408.73	5.69	-77.76
O=C([O-])C1=C(COCC(=O)NCC2CCC[N@H+](C3CCCC3)C2)OC=N1	REAL300007069154	1	53	0.0	-83.03	408.74	5.68	-77.35
O=C([O-])C1=CC=C(C=CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)O1	REAL300007069155	0	51	0.0	-70.58	396.57	9.75	-60.83
O=C([O-])C1=CC=C(C=CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)O1	REAL300007069155	1	51	0.0	-70.63	396.57	9.73	-60.90
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300007069156	0	53	0.0	-76.16	377.55	9.46	-66.70
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300007069156	1	53	0.0	-79.22	383.29	9.53	-69.69
CC1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1C(=O)[O-]	REAL300007069157	0	53	0.0	-83.38	391.95	10.48	-72.90
CC1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1C(=O)[O-]	REAL300007069157	1	53	0.0	-82.00	389.13	10.54	-71.46
O=C([O-])C1=CN=CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069158	0	49	0.0	-73.60	364.26	8.13	-65.47
O=C([O-])C1=CN=CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069158	1	49	0.0	-73.64	364.25	8.12	-65.52
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069159	0	52	0.0	-61.93	380.53	8.78	-53.15
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069159	1	52	0.0	-61.97	380.56	8.78	-53.19
O=C([O-])C1=NN(CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069160	0	50	0.0	-92.26	382.07	8.10	-84.16
O=C([O-])C1=NN(CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069160	1	50	0.0	-89.07	375.14	8.10	-80.97
O=C([O-])C1=NN(CCCC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069161	0	56	0.0	-92.38	425.66	9.49	-82.89
O=C([O-])C1=NN(CCCC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069161	1	56	0.0	-89.46	418.77	9.46	-80.00
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069162	0	50	0.0	-65.57	363.29	8.80	-56.77
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069162	1	50	0.0	-60.72	356.48	8.77	-51.95
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)O1	REAL300007069163	0	57	0.0	-78.24	412.92	9.89	-68.35
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC2CCC[N@H+](C3CCCC3)C2)O1	REAL300007069163	1	57	0.0	-78.34	412.61	9.84	-68.50
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069164	0	57	0.0	-69.99	411.23	8.74	-61.25
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069164	1	57	0.0	-70.39	411.27	8.75	-61.64
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069165	0	50	0.0	-65.57	363.29	8.80	-56.77
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069165	1	50	0.0	-60.72	356.48	8.77	-51.95
CC1=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)OC(C(=O)[O-])=C1	REAL300007069166	0	50	0.0	-63.78	380.21	9.02	-54.76
CC1=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)OC(C(=O)[O-])=C1	REAL300007069166	1	50	0.0	-63.56	373.33	8.99	-54.57
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069167	0	58	0.0	-62.35	407.66	11.03	-51.32
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069167	1	58	0.0	-51.69	393.38	11.25	-40.44
CC(C)C(C(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069168	0	52	0.0	-58.02	369.95	8.92	-49.10
CC(C)C(C(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069168	1	52	0.0	-55.39	367.20	9.10	-46.29
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069169	0	56	0.0	-75.19	389.31	10.71	-64.48
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069169	1	56	0.0	-69.87	383.75	10.66	-59.21
O=C(CN1CCCC(C(=O)[O-])C1)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069170	1	58	0.0	-70.26	409.04	7.98	-62.28
O=C(CN1CCCC(C(=O)[O-])C1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069170	1	58	0.0	-74.06	409.88	8.03	-66.03
O=C([O-])C1(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC1C1=CC=CC=C1	REAL300007069171	0	57	0.0	-57.28	417.36	11.98	-45.30
O=C([O-])C1(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC1C1=CC=CC=C1	REAL300007069171	1	57	0.0	-58.98	415.93	11.77	-47.21
O=C([O-])CC1=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)NC2=CC=CC=C21	REAL300007069172	0	57	0.0	-81.90	428.13	10.65	-71.25
O=C([O-])CC1=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)NC2=CC=CC=C21	REAL300007069172	1	57	0.0	-78.05	421.24	10.63	-67.42
O=C([O-])C1=CN(CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C2=CC=CC=C12	REAL300007069173	0	57	0.0	-92.59	433.97	12.07	-80.52
O=C([O-])C1=CN(CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C2=CC=CC=C12	REAL300007069173	1	57	0.0	-90.30	427.10	12.04	-78.26
O=C([O-])C1CC12CC(C(=O)NCC1CCC[N@@H+](C3CCCC3)C1)C2	REAL300007069174	0	54	0.0	-81.32	399.75	10.34	-70.98
O=C([O-])C1CC12CC(C(=O)NCC1CCC[N@H+](C3CCCC3)C1)C2	REAL300007069174	1	54	0.0	-78.12	392.86	10.32	-67.80
O=C([O-])[C@H]1C[C@@H](C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300007069175	0	50	0.0	-75.81	368.05	8.94	-66.87
O=C([O-])[C@H]1C[C@@H](C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300007069175	1	50	0.0	-73.56	360.82	8.91	-64.65
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069176	0	56	0.0	-69.25	402.32	10.96	-58.29
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069176	1	56	0.0	-74.20	400.82	10.69	-63.51
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069177	0	53	0.0	-63.85	385.12	10.60	-53.25
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069177	1	53	0.0	-63.80	385.13	10.59	-53.21
CC1(C(=O)[O-])CC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300007069178	0	53	0.0	-66.37	385.39	9.38	-56.99
CC1(C(=O)[O-])CC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300007069178	1	53	0.0	-77.32	387.35	9.39	-67.93
O=C([O-])C1=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=CS1	REAL300007069179	0	47	0.0	-81.62	364.41	9.87	-71.75
O=C([O-])C1=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=CS1	REAL300007069179	1	47	0.0	-76.62	356.57	9.87	-66.75
O=C([O-])C1=NNC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069180	0	47	0.0	-78.68	359.83	6.37	-72.31
O=C([O-])C1=NNC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069180	1	47	0.0	-77.00	352.95	6.34	-70.66
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069181	0	52	0.0	-73.94	381.64	8.72	-65.22
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069181	1	52	0.0	-71.89	374.72	8.68	-63.21
CCCC(C(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069182	0	52	0.0	-60.55	382.26	9.16	-51.39
CCCC(C(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069182	1	52	0.0	-59.14	382.27	9.15	-49.99
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069183	0	53	0.0	-73.23	385.12	10.61	-62.62
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069183	1	53	0.0	-73.28	385.10	10.60	-62.68
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(Cl)=C1	REAL300007069184	0	50	0.0	-71.45	381.56	10.42	-61.03
O=C([O-])C1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(Cl)=C1	REAL300007069184	1	50	0.0	-71.51	381.57	10.41	-61.10
O=C([O-])C1CC2(C1)CC(C(=O)NCC1CCC[N@@H+](C3CCCC3)C1)C2	REAL300007069185	0	57	0.0	-76.08	418.26	10.81	-65.27
O=C([O-])C1CC2(C1)CC(C(=O)NCC1CCC[N@H+](C3CCCC3)C1)C2	REAL300007069185	1	57	0.0	-73.90	409.99	10.78	-63.12
COC1=CC(C(=O)[O-])=NC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069186	0	53	0.0	-61.05	396.94	7.51	-53.54
COC1=CC(C(=O)[O-])=NC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069186	1	53	0.0	-61.07	396.93	7.51	-53.56
CN1C(C(=O)[O-])=CC=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069187	0	51	0.0	-74.66	378.56	9.15	-65.51
CN1C(C(=O)[O-])=CC=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069187	1	51	0.0	-72.82	371.87	9.13	-63.69
O=C([O-])C1(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC=CC1	REAL300007069188	0	51	0.0	-58.16	365.85	9.44	-48.72
O=C([O-])C1(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC=CC1	REAL300007069188	1	51	0.0	-58.40	366.90	9.45	-48.95
O=C([O-])CCC1=CC=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069189	0	56	0.0	-73.47	419.54	11.53	-61.94
O=C([O-])CCC1=CC=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069189	1	56	0.0	-71.56	412.65	11.49	-60.07
CC1=NNC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1C(=O)[O-]	REAL300007069190	0	50	0.0	-73.46	364.62	7.75	-65.71
CC1=NNC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1C(=O)[O-]	REAL300007069190	1	50	0.0	-73.50	364.62	7.74	-65.76
O=C([O-])CC1(CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC1	REAL300007069191	0	53	0.0	-61.53	379.25	9.60	-51.93
O=C([O-])CC1(CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC1	REAL300007069191	1	53	0.0	-66.30	382.91	9.64	-56.66
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC1CCC[N@@H+](C3CCCC3)C1)C2	REAL300007069192	0	54	0.0	-68.49	409.64	10.42	-58.07
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC1CCC[N@H+](C3CCCC3)C1)C2	REAL300007069192	1	54	0.0	-63.04	402.71	10.39	-52.65
O=C([O-])C1=NC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=CS1	REAL300007069193	0	46	0.0	-60.48	365.64	7.09	-53.39
O=C([O-])C1=NC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=CS1	REAL300007069193	1	46	0.0	-60.28	358.76	7.07	-53.21
C[C@]1(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C[C@H]1C(=O)[O-]	REAL300007069194	0	50	0.0	-63.23	366.32	8.82	-54.41
C[C@]1(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C[C@H]1C(=O)[O-]	REAL300007069194	1	50	0.0	-80.05	364.56	9.97	-70.08
CC1=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C(C(=O)[O-])S1	REAL300007069195	0	50	0.0	-64.15	378.34	9.77	-54.38
CC1=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C(C(=O)[O-])S1	REAL300007069195	1	50	0.0	-64.13	379.52	9.77	-54.36
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCC1CCC[N@@H+](C3CCCC3)C1)=C2	REAL300007069196	0	50	0.0	-73.62	398.91	10.51	-63.11
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCC1CCC[N@H+](C3CCCC3)C1)=C2	REAL300007069196	1	50	0.0	-73.69	398.90	10.50	-63.19
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069197	0	54	0.0	-74.42	406.81	9.60	-64.82
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069197	1	54	0.0	-74.50	406.79	9.60	-64.90
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069198	0	53	0.0	-64.67	393.02	10.22	-54.45
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069198	1	53	0.0	-64.19	393.02	10.20	-53.99
O=C([O-])C1=C2C=C(C(=O)NCC3CCC[N@@H+](C4CCCC4)C3)SC2=CC=C1	REAL300007069199	0	53	0.0	-83.00	411.13	11.22	-71.78
O=C([O-])C1=C2C=C(C(=O)NCC3CCC[N@H+](C4CCCC4)C3)SC2=CC=C1	REAL300007069199	1	53	0.0	-79.92	404.26	11.20	-68.72
O=C([O-])C1=NC=CC=C1CCC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069200	0	55	0.0	-76.16	409.63	9.41	-66.75
O=C([O-])C1=NC=CC=C1CCC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069200	1	55	0.0	-73.76	402.63	9.39	-64.37
O=C([O-])C12CC(C(=O)NCC3CCC[N@@H+](C4CCCC4)C3)(C1)OC2	REAL300007069201	0	52	0.0	-68.09	386.01	7.52	-60.57
O=C([O-])C12CC(C(=O)NCC3CCC[N@H+](C4CCCC4)C3)(C1)OC2	REAL300007069201	1	52	0.0	-66.56	379.39	7.49	-59.07
O=C([O-])C1=CC=C(/C=C/C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1	REAL300007069202	0	54	0.0	-77.84	410.48	11.13	-66.71
O=C([O-])C1=CC=C(/C=C/C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1	REAL300007069202	1	54	0.0	-76.25	403.61	11.11	-65.14
CC1CC1(C(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069203	0	50	0.0	-53.83	362.41	9.07	-44.76
CC1CC1(C(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069203	1	50	0.0	-55.91	358.98	9.18	-46.73
O=C([O-])C1(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC2(CCC2)C1	REAL300007069204	0	57	0.0	-56.28	407.09	10.65	-45.63
O=C([O-])C1(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC2(CCC2)C1	REAL300007069204	1	57	0.0	-54.69	399.46	10.72	-43.97
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069205	0	50	0.0	-69.36	375.07	7.34	-62.02
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069205	1	50	0.0	-68.01	375.06	7.33	-60.68
O=C([O-])C1=CSC2=C1NC(C(=O)NCC1CCC[N@@H+](C3CCCC3)C1)=C2	REAL300007069206	0	51	0.0	-65.71	401.13	8.95	-56.76
O=C([O-])C1=CSC2=C1NC(C(=O)NCC1CCC[N@H+](C3CCCC3)C1)=C2	REAL300007069206	1	51	0.0	-65.37	394.25	8.93	-56.44
O=C([O-])C1=CC2=C(C=C(C(=O)NCC3CCC[N@@H+](C4CCCC4)C3)N2)S1	REAL300007069207	0	51	0.0	-75.59	401.32	9.10	-66.49
O=C([O-])C1=CC2=C(C=C(C(=O)NCC3CCC[N@H+](C4CCCC4)C3)N2)S1	REAL300007069207	1	51	0.0	-74.60	394.44	9.07	-65.53
O=C([O-])C1=COC2=C1NC(C(=O)NCC1CCC[N@@H+](C3CCCC3)C1)=C2	REAL300007069208	0	51	0.0	-66.82	385.62	8.07	-58.75
O=C([O-])C1=COC2=C1NC(C(=O)NCC1CCC[N@H+](C3CCCC3)C1)=C2	REAL300007069208	1	51	0.0	-66.78	385.61	8.07	-58.71
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069209	0	53	0.0	-78.17	379.26	10.48	-67.69
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069209	1	53	0.0	-78.12	379.20	10.47	-67.65
O=C([O-])C1=CC=C(C=CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=N1	REAL300007069210	0	53	0.0	-77.81	399.39	9.34	-68.47
O=C([O-])C1=CC=C(C=CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=N1	REAL300007069210	1	53	0.0	-79.29	406.27	9.35	-69.94
C=C1CCC1(C(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069211	0	51	0.0	-58.69	376.40	9.54	-49.15
C=C1CCC1(C(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069211	1	51	0.0	-56.69	369.12	9.37	-47.32
O=C([O-])C1=CSC(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069212	0	47	0.0	-76.60	362.30	8.93	-67.67
O=C([O-])C1=CSC(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069212	1	47	0.0	-76.56	362.31	8.93	-67.63
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069213	0	55	0.0	-68.05	396.29	8.35	-59.70
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069213	1	55	0.0	-70.30	396.40	8.20	-62.10
O=C([O-])C1=CC=CC2=C(C(=O)NCC3CCC[N@@H+](C4CCCC4)C3)C=CC=C12	REAL300007069214	0	56	0.0	-79.19	405.08	12.01	-67.18
O=C([O-])C1=CC=CC2=C(C(=O)NCC3CCC[N@H+](C4CCCC4)C3)C=CC=C12	REAL300007069214	1	56	0.0	-79.22	405.09	11.99	-67.23
CC(C)[C@]1(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C[C@H]1C(=O)[O-]	REAL300007069215	0	56	0.0	-65.41	405.69	9.94	-55.47
CC(C)[C@]1(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C[C@H]1C(=O)[O-]	REAL300007069215	1	56	0.0	-77.61	404.96	10.04	-67.57
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069216	0	56	0.0	-85.73	417.35	11.09	-74.64
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069216	1	56	0.0	-82.96	410.44	11.06	-71.90
O=C([O-])C1=CSC(CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)=C1	REAL300007069217	0	50	0.0	-81.61	392.18	9.77	-71.84
O=C([O-])C1=CSC(CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)=C1	REAL300007069217	1	50	0.0	-78.06	385.31	9.74	-68.32
O=C([O-])C1=CC=C(CC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C=C1F	REAL300007069218	0	53	0.0	-87.23	405.16	10.65	-76.58
O=C([O-])C1=CC=C(CC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C=C1F	REAL300007069218	1	53	0.0	-84.34	398.30	10.63	-73.71
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300007069219	0	53	0.0	-63.95	375.77	9.46	-54.49
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300007069219	1	53	0.0	-69.27	382.65	9.47	-59.80
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)S1	REAL300007069220	0	57	0.0	-68.46	424.97	11.47	-56.99
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)S1	REAL300007069220	1	57	0.0	-68.06	418.08	11.46	-56.60
O=C([O-])C12CCC(C(=O)NCC3CCC[N@@H+](C4CCCC4)C3)(CC1)CC2	REAL300007069221	0	60	0.0	-75.83	419.53	10.85	-64.98
O=C([O-])C12CCC(C(=O)NCC3CCC[N@H+](C4CCCC4)C3)(CC1)CC2	REAL300007069221	1	60	0.0	-75.78	419.54	10.84	-64.94
CC(C)CC1CCCCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007069282	0	55	0.0	-44.04	384.08	9.81	-34.23
CC(C)CC1CCCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007069282	1	55	0.0	-46.58	384.87	10.26	-36.32
CC(C1=CC=C(Cl)C=N1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007069381	0	45	0.0	-45.66	359.01	9.34	-36.32
CC(C1=CC=C(Cl)C=N1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007069381	1	45	0.0	-46.75	359.46	9.21	-37.54
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3(CCSCC3)CC2)C1	REAL300007069497	0	52	0.0	-50.65	375.06	8.96	-41.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3(CCSCC3)CC2)C1	REAL300007069497	1	52	0.0	-49.64	374.30	8.90	-40.74
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCN(CC3=CC(F)=CC=C3F)CC2)C1	REAL300007069638	0	55	0.0	-47.43	414.92	9.92	-37.51
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCN(CC3=CC(F)=CC=C3F)CC2)C1	REAL300007069638	1	55	0.0	-47.91	416.72	10.52	-37.39
CCCC(C(=O)[O-])N(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007070676	0	52	0.0	-72.43	385.98	11.48	-60.95
CCCC(C(=O)[O-])N(C)C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300007071908	1	51	0.0	-62.78	389.12	9.14	-53.64
CCCC(C(=O)[O-])N(C)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300007071952	0	55	0.0	-73.50	423.43	11.17	-62.33
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300007071957	0	55	0.0	-81.98	422.47	13.13	-68.85
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300007071957	1	55	0.0	-79.03	421.93	13.11	-65.92
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007072066	0	45	0.0	-76.42	354.67	8.62	-67.80
CCCC(C(=O)[O-])N(C)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007072084	0	53	0.0	-63.35	361.87	8.06	-55.29
CCCC(C(=O)[O-])N(C)C(=O)CCCC[NH+]1CCOCC1	REAL300007072103	1	49	0.0	-71.74	367.04	8.14	-63.60
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1	REAL300007072104	0	54	0.0	-74.40	384.91	10.87	-63.53
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1	REAL300007072104	1	54	0.0	-75.18	388.33	10.91	-64.27
CCCC(C(=O)[O-])N(C)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007072119	0	49	0.0	-65.18	371.51	10.81	-54.37
CCCC(C(=O)[O-])N(C)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007072119	1	49	0.0	-63.46	371.82	10.87	-52.59
CCCC(C(=O)[O-])N(C)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007072120	0	50	0.0	-67.09	365.10	10.04	-57.05
CCCC(C(=O)[O-])N(C)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007072141	0	53	0.0	-65.10	366.37	8.45	-56.65
CCCC(C(=O)[O-])N(C)C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300007072144	0	48	0.0	-60.20	362.56	10.38	-49.82
CCCC(C(=O)[O-])N(C)C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300007072144	1	48	0.0	-58.19	362.18	10.26	-47.93
CCCC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300007072151	0	55	0.0	-69.32	407.45	12.31	-57.01
CCCC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300007072151	1	55	0.0	-58.20	401.31	12.32	-45.88
CCCC(C(=O)[O-])N(C)C(=O)CCC[NH+](CCC)CCC	REAL300007072171	0	53	0.0	-67.85	386.89	10.31	-57.54
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007072186	0	49	0.0	-76.88	367.47	10.56	-66.32
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007072191	0	52	0.0	-68.08	387.33	11.40	-56.68
CCCC(C(=O)[O-])N(C)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	REAL300007072197	0	60	0.0	-69.71	415.30	8.86	-60.85
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300007072203	1	56	0.0	-81.30	418.39	10.37	-70.93
CCCC(C(=O)[O-])N(C)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007072213	1	53	0.0	-74.99	396.91	10.88	-64.11
CCCC(C(=O)[O-])N(C)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007072213	1	53	0.0	-73.64	403.15	10.90	-62.74
CCCC(C(=O)[O-])N(C)C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300007072227	1	43	0.0	-77.77	344.36	7.93	-69.84
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007072230	0	52	0.0	-77.60	384.81	11.29	-66.31
CCCC(C(=O)[O-])N(C)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007072240	1	45	0.0	-74.20	350.79	8.90	-65.30
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300007072241	0	48	0.0	-81.65	366.05	10.33	-71.32
CCCC(C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007072244	1	50	0.0	-39.61	370.68	10.13	-29.48
CCCC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007072244	1	50	0.0	-72.79	378.32	10.20	-62.59
CCCC(C(=O)[O-])N(C)C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007072252	0	58	0.0	-59.95	425.45	12.81	-47.14
CCCC(C(=O)[O-])N(C)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300007072277	0	48	0.0	-60.89	369.01	10.94	-49.95
CCCC(C(=O)[O-])N(C)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300007072277	1	48	0.0	-62.19	367.95	10.79	-51.40
CCCC(C(=O)[O-])N(C)C(=O)CC[N@H+](C)CCOCCOC	REAL300007072278	0	52	0.0	-65.07	396.95	7.17	-57.90
CCCC(C(=O)[O-])N(C)C(=O)CC[N@@H+](C)CCOCCOC	REAL300007072278	1	52	0.0	-63.67	397.99	7.16	-56.51
CCCC(C(=O)[O-])N(C)C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007072284	0	57	0.0	-72.14	423.11	10.53	-61.61
CCCC(C(=O)[O-])N(C)C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300007072310	0	53	0.0	-67.48	385.22	7.70	-59.78
CCCC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300007072310	1	53	0.0	-64.93	380.47	7.35	-57.58
CCCC(C(=O)[O-])N(C)C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300007072311	0	56	0.0	-66.00	406.71	8.51	-57.49
CCCC(C(=O)[O-])N(C)C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300007072311	1	56	0.0	-67.21	401.93	8.31	-58.90
CCCC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300007072315	0	57	0.0	-68.21	422.98	10.55	-57.66
CCCC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007072316	0	54	0.0	-68.72	401.62	9.73	-58.99
CCCC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300007072319	0	51	0.0	-66.16	373.73	9.78	-56.38
CCCC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300007072319	1	51	0.0	-58.67	376.10	9.36	-49.31
CCCC(C(=O)[O-])N(C)C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007072323	1	49	0.0	-57.79	360.10	10.74	-47.05
CCCC(C(=O)[O-])N(C)C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300007072323	1	49	0.0	-58.60	359.04	10.59	-48.01
CCCC(C(=O)[O-])N(C)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007072340	0	52	0.0	-70.88	391.11	11.70	-59.18
CCCC(C(=O)[O-])N(C)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007072340	1	52	0.0	-71.38	394.27	11.63	-59.75
CCCC(C(=O)[O-])N(C)C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300007072350	1	46	0.0	-74.74	353.05	7.78	-66.96
CCCC(C(=O)[O-])N(C)C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300007072350	1	46	0.0	-76.84	352.21	7.75	-69.09
CCCC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300007072357	0	52	0.0	-67.18	392.44	11.49	-55.69
CCCC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300007072357	1	52	0.0	-58.39	387.64	11.28	-47.11
CCCC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300007072359	0	53	0.0	-68.04	399.34	9.14	-58.90
CCCC(C(=O)[O-])N(C)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007072382	0	52	0.0	-61.78	373.45	10.22	-51.56
CCCC(C(=O)[O-])N(C)C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007072382	1	52	0.0	-52.81	371.33	10.13	-42.68
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300007072400	0	54	0.0	-74.22	403.90	8.93	-65.29
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300007072401	0	54	0.0	-73.86	401.29	8.73	-65.13
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300007072401	1	54	0.0	-77.75	401.63	8.96	-68.79
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300007072402	0	55	0.0	-75.86	408.45	10.78	-65.08
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007072455	0	56	0.0	-81.32	416.81	8.65	-72.67
CCCC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007072457	0	52	0.0	-54.30	373.57	11.45	-42.85
CCCC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007072457	1	52	0.0	-60.09	378.74	11.61	-48.48
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300007072537	1	50	0.0	-77.25	380.16	9.94	-67.31
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300007072537	1	50	0.0	-78.23	379.12	10.08	-68.15
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+](CC)CC)O1	REAL300007072575	0	48	0.0	-68.44	366.24	9.64	-58.80
CCCC(C(=O)[O-])N(C)C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300007072577	1	51	0.0	-66.38	378.42	9.22	-57.16
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300007072580	0	57	0.0	-76.66	412.20	9.89	-66.77
CCCC(C(=O)[O-])N(C)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007072587	1	40	0.0	-73.97	323.41	7.55	-66.42
CCCC(C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300007072611	0	52	0.0	-62.76	381.80	11.34	-51.42
CCCC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300007072611	1	52	0.0	-65.11	390.29	11.15	-53.96
CCCC(C(=O)[O-])N(C)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300007072626	0	53	0.0	-77.57	411.02	10.89	-66.68
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007072638	0	49	0.0	-72.24	373.51	10.30	-61.94
CCCC(C(=O)[O-])N(C)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300007072882	0	42	0.0	-73.98	317.71	8.12	-65.86
CCCC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300007072882	1	42	0.0	-75.21	319.41	7.82	-67.39
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300007073169	0	48	0.0	-75.93	367.69	10.49	-65.44
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300007073172	0	49	0.0	-77.50	373.37	9.44	-68.06
CCCC(C(=O)[O-])N(C)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007073232	0	55	0.0	-65.34	408.48	12.49	-52.85
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300007073234	1	53	0.0	-79.03	393.96	9.84	-69.19
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300007073234	1	53	0.0	-79.37	391.56	9.70	-69.67
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CN(C)C2=CC=CC=C12	REAL300007073362	0	47	0.0	-47.68	360.89	10.25	-37.43
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CN(C)C2=CC=CC=C12	REAL300007073362	1	47	0.0	-51.18	361.70	10.72	-40.46
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(CCCCC3O)C2)C1	REAL300007073483	0	54	0.0	-44.13	369.80	8.41	-35.72
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(CCCCC3O)C2)C1	REAL300007073483	1	54	0.0	-48.34	372.69	7.31	-41.03
COC1=CC=CC(F)=C1C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007073669	0	51	0.0	-48.49	381.36	10.33	-38.16
COC1=CC=CC(F)=C1C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007073669	1	51	0.0	-43.61	380.11	9.86	-33.75
O=C([O-])CC1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2(CCC2)CO1	REAL300007074642	0	58	0.0	-73.21	423.88	11.45	-61.76
O=C([O-])CC1CN(C(=O)C2CC[NH+](C3CC3)CC2)C2(CCC2)CO1	REAL300007075864	0	52	0.0	-69.61	376.96	9.19	-60.42
CC1=[NH+]C=C2CCC(C(=O)N3CC(CC(=O)[O-])OCC34CCC4)CN12	REAL300007075889	1	50	0.0	-62.41	371.39	8.95	-53.46
CC(C(=O)N1CC(CC(=O)[O-])OCC12CCC2)N1CC[NH+](C)CC1	REAL300007075955	1	53	0.0	-70.96	378.25	6.21	-64.75
C[N@@H+]1CCCC[C@H]1C(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007075988	0	48	0.0	-61.95	344.40	7.79	-54.16
C[N@H+]1CCCC[C@H]1C(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007075988	1	48	0.0	-68.25	335.44	7.44	-60.81
C[NH+]1CCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076059	0	48	0.0	-69.77	347.38	7.88	-61.89
O=C([O-])CC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C2(CCC2)CO1	REAL300007076083	0	43	0.0	-67.89	333.44	9.49	-58.40
C[NH+](C)CC1(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CCCCC1	REAL300007076111	0	57	0.0	-72.98	370.31	9.32	-63.66
C[N@H+](CCC(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CCCCC1	REAL300007076115	0	57	0.0	-69.36	401.98	9.98	-59.38
C[N@@H+](CCC(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CCCCC1	REAL300007076115	1	57	0.0	-68.88	401.88	9.98	-58.90
C[NH+]1CCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076172	0	48	0.0	-69.77	347.38	7.88	-61.89
O=C([O-])CC1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C2(CCC2)CO1	REAL300007076175	0	51	0.0	-69.34	390.92	8.59	-60.75
O=C([O-])CC1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C2(CCC2)CO1	REAL300007076190	0	59	0.0	-71.20	414.85	8.49	-62.71
CC1=[NH+]C=CN1CCCC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076219	1	49	0.0	-65.59	374.54	9.26	-56.33
O=C([O-])CC1CN(C(=O)CCCC[NH+]2CCOCC2)C2(CCC2)CO1	REAL300007076220	1	55	0.0	-72.54	401.83	7.95	-64.59
CC[N@H+](CC1=CC=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1)C(C)C	REAL300007076222	0	60	0.0	-70.79	428.30	10.97	-59.82
CC[N@@H+](CC1=CC=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1)C(C)C	REAL300007076222	1	60	0.0	-73.50	421.33	10.85	-62.65
O=C([O-])CC1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C2(CCC2)CO1	REAL300007076260	0	55	0.0	-71.59	403.20	10.44	-61.15
O=C([O-])CC1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C2(CCC2)CO1	REAL300007076260	1	55	0.0	-71.65	404.00	10.46	-61.19
O=C([O-])CC1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C2(CCC2)CO1	REAL300007076261	0	56	0.0	-75.56	402.67	9.73	-65.83
O=C([O-])CC1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C2(CCC2)CO1	REAL300007076286	0	59	0.0	-69.31	400.54	8.10	-61.21
CCC(C(=O)N1CC(CC(=O)[O-])OCC12CCC2)[NH+](CC)CC	REAL300007076290	0	53	0.0	-59.39	365.97	8.47	-50.92
CC(C(=O)N1CC(CC(=O)[O-])OCC12CCC2)[N@H+](C)CC1=CC=CC=C1	REAL300007076292	0	54	0.0	-68.10	395.95	10.12	-57.98
CC(C(=O)N1CC(CC(=O)[O-])OCC12CCC2)[N@@H+](C)CC1=CC=CC=C1	REAL300007076292	1	54	0.0	-67.19	395.35	10.12	-57.07
C[NH+](C)CC1=CC=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=N1	REAL300007076312	0	50	0.0	-72.52	377.28	7.92	-64.60
CCC[NH+](CCC)CCCC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076318	0	59	0.0	-70.80	421.48	10.16	-60.64
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076328	1	49	0.0	-61.60	369.35	9.06	-52.54
O=C([O-])CC1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C2(CCC2)CO1	REAL300007076343	0	55	0.0	-75.10	405.20	10.48	-64.62
O=C([O-])CC1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C2(CCC2)CO1	REAL300007076349	0	58	0.0	-71.13	421.81	11.18	-59.95
C[NH+](C)CC1(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076354	0	48	0.0	-69.02	352.70	7.93	-61.09
C[NH+](C)CCCCC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076362	0	50	0.0	-70.76	368.83	8.50	-62.26
CC1=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=NN1C1=CC=[NH+]C=C1	REAL300007076383	1	49	0.0	-75.13	377.83	7.87	-67.26
O=C([O-])CC1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C2(CCC2)CO1	REAL300007076386	0	58	0.0	-74.36	422.82	11.22	-63.14
O=C([O-])CC1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C2(CCC2)CO1	REAL300007076398	1	51	0.0	-76.89	383.70	8.72	-68.17
C[NH+](C)CCC1=CC=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1	REAL300007076399	0	54	0.0	-75.83	403.25	10.20	-65.63
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076405	1	47	0.0	-59.21	355.35	6.91	-52.30
C[N@H+](CC(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CCC1	REAL300007076426	0	48	0.0	-64.28	349.80	8.28	-56.00
C[N@@H+](CC(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CCC1	REAL300007076426	1	48	0.0	-65.12	349.69	8.29	-56.83
CC(C(=O)N1CC(CC(=O)[O-])OCC12CCC2)[NH+]1CCSCC1	REAL300007076446	1	49	0.0	-66.66	354.33	7.98	-58.68
C[N@H+](CC(=O)N1CC(CC(=O)[O-])OCC12CCC2)CC(C)(C)C	REAL300007076452	0	53	0.0	-66.10	371.20	8.69	-57.41
C[N@@H+](CC(=O)N1CC(CC(=O)[O-])OCC12CCC2)CC(C)(C)C	REAL300007076452	1	53	0.0	-67.30	373.82	8.74	-58.56
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076454	0	54	0.0	-71.24	402.73	10.75	-60.49
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076454	1	54	0.0	-70.98	402.73	10.75	-60.23
COCCOCC[N@H+](C)CCC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076455	0	58	0.0	-70.12	431.65	7.00	-63.12
COCCOCC[N@@H+](C)CCC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076455	1	58	0.0	-69.95	431.75	7.01	-62.94
C[N@@H+]1CCCC(O)(CC(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007076459	0	52	0.0	-67.42	364.03	6.30	-61.12
C[N@H+]1CCCC(O)(CC(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007076459	1	52	0.0	-68.05	361.30	6.42	-61.63
CCCCCC[N@H+](C)CC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076471	0	56	0.0	-68.03	407.33	10.08	-57.95
CCCCCC[N@@H+](C)CC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076471	1	56	0.0	-68.22	407.30	10.06	-58.16
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C[N@H+](CC(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CCSC1	REAL300007076496	0	49	0.0	-71.17	362.92	8.55	-62.62
C[N@@H+](CC(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CCSC1	REAL300007076496	1	49	0.0	-72.16	362.81	8.54	-63.62
CC(C)[NH+]1CCN(CCC(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076510	0	59	0.0	-66.41	418.92	7.54	-58.87
CC(C)[NH+]1CCN(CCCC(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076511	0	62	0.0	-67.29	435.21	7.98	-59.31
CC(C)N1CC[NH+](CCCC(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076511	1	62	0.0	-70.03	436.93	8.14	-61.89
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C[NH+](C)CCN1C=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=N1	REAL300007076514	0	51	0.0	-76.28	385.41	7.49	-68.79
O=C([O-])CC1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C2(CCC2)CO1	REAL300007076519	0	57	0.0	-72.51	408.79	9.61	-62.90
O=C([O-])CC1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C2(CCC2)CO1	REAL300007076519	1	57	0.0	-70.49	409.83	9.67	-60.82
CC(C(=O)N1CC(CC(=O)[O-])OCC12CCC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007076524	1	55	0.0	-65.21	397.88	10.64	-54.57
CC(C(=O)N1CC(CC(=O)[O-])OCC12CCC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300007076524	1	55	0.0	-65.95	396.86	10.64	-55.31
O=C([O-])CC1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C2(CCC2)CO1	REAL300007076543	0	58	0.0	-74.26	429.61	11.51	-62.75
O=C([O-])CC1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C2(CCC2)CO1	REAL300007076543	1	58	0.0	-73.09	426.94	11.40	-61.69
C[NH+](C)CCN1C=CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)=N1	REAL300007076556	0	51	0.0	-75.23	385.18	8.03	-67.20
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076557	0	51	0.0	-70.48	379.88	7.54	-62.94
C[C@@H]1[C@H](C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC[N@@H+]1C	REAL300007076559	0	48	0.0	-68.66	339.01	7.13	-61.53
C[C@@H]1[C@H](C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC[N@H+]1C	REAL300007076559	1	48	0.0	-70.93	340.58	7.78	-63.15
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076560	1	52	0.0	-61.99	389.43	9.58	-52.41
CC[C@@H]1[C@@H](C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC[N@@H+]1C	REAL300007076563	0	51	0.0	-67.91	360.26	7.93	-59.98
CC[C@@H]1[C@@H](C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC[N@H+]1C	REAL300007076563	1	51	0.0	-67.79	362.63	8.04	-59.75
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)=NN1	REAL300007076565	1	52	0.0	-76.02	386.02	7.68	-68.34
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)=NN1	REAL300007076565	1	52	0.0	-76.03	386.49	7.66	-68.37
CC1C[N@H+](C)CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)O1	REAL300007076571	1	49	0.0	-73.99	350.44	7.09	-66.90
CC1C[N@@H+](C)CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)O1	REAL300007076571	1	49	0.0	-71.82	350.35	6.91	-64.91
CC1=[NH+]C=CN1CC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076578	1	43	0.0	-62.70	332.00	7.91	-54.79
CC(C[NH+]1CCOCC1)C(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076580	1	52	0.0	-68.64	373.96	6.88	-61.76
CC1CC[NH+](CC(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076595	0	51	0.0	-66.40	366.07	8.79	-57.61
CC[N@@H+]1CCOC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007076606	1	49	0.0	-70.02	346.97	6.81	-63.21
CC[N@H+]1CCOC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007076606	1	49	0.0	-71.26	347.50	6.75	-64.51
O=C([O-])CC1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C2(CCC2)CO1	REAL300007076637	0	58	0.0	-65.18	405.60	10.13	-55.05
O=C([O-])CC1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C2(CCC2)CO1	REAL300007076637	1	58	0.0	-69.23	407.42	10.03	-59.20
C[N@@H+]1CCCC1CCC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076644	0	51	0.0	-70.04	371.01	8.85	-61.19
C[N@H+]1CCCC1CCC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076644	1	51	0.0	-68.98	365.42	8.39	-60.59
O=C([O-])CC1CN(C(=O)C2CCC3CCCC[N@@H+]32)C2(CCC2)CO1	REAL300007076655	0	52	0.0	-60.54	370.39	9.10	-51.44
O=C([O-])CC1CN(C(=O)C2CCC3CCCC[N@H+]32)C2(CCC2)CO1	REAL300007076655	1	52	0.0	-61.13	368.44	8.96	-52.17
CC(C)[NH+]1CCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076675	0	54	0.0	-69.77	382.00	8.97	-60.80
O=C([O-])CC1CN(C(=O)C23CC[NH+](CC2)C3)C2(CCC2)CO1	REAL300007076741	0	46	0.0	-70.73	327.77	6.47	-64.26
O=C([O-])CC1CN(C(=O)C23CC[N@H+](C2)CCC3)C2(CCC2)CO1	REAL300007076750	0	49	0.0	-71.85	336.42	7.19	-64.66
O=C([O-])CC1CN(C(=O)C23CC[N@@H+](C2)CCC3)C2(CCC2)CO1	REAL300007076750	1	49	0.0	-69.84	337.01	7.03	-62.81
CC1CCC(C)[NH+]1CC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076788	0	51	0.0	-61.73	360.46	8.18	-53.55
C[NH+](C)CC1=CC=CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300007076789	0	51	0.0	-70.93	380.32	9.33	-61.60
O=C([O-])CC1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C2(CCC2)CO1	REAL300007076790	0	58	0.0	-67.84	423.28	11.38	-56.46
O=C([O-])CC1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C2(CCC2)CO1	REAL300007076790	1	58	0.0	-68.83	424.22	11.31	-57.52
C#CC[NH+]1CCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076844	0	50	0.0	-74.20	372.86	8.99	-65.21
CC[NH+]1CCN(CCC(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076846	0	56	0.0	-68.18	402.21	7.05	-61.13
CCN1CC[NH+](CCC(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007076846	1	56	0.0	-69.49	402.18	7.03	-62.46
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007076851	1	52	0.0	-62.08	388.88	9.52	-52.56
CC[N@H+](CC(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CC1	REAL300007076857	0	48	0.0	-62.61	352.17	8.33	-54.28
CC[N@@H+](CC(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CC1	REAL300007076857	1	48	0.0	-64.00	348.63	7.96	-56.04
CC(C(=O)N1CC(CC(=O)[O-])OCC12CCC2)[NH+]1CCCCCC1	REAL300007076884	0	54	0.0	-62.07	366.10	8.62	-53.45
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(CC(=O)[O-])OCC34CCC4)=CC=C1N2	REAL300007076922	1	56	0.0	-76.20	415.72	9.86	-66.34
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(CC(=O)[O-])OCC34CCC4)=CC=C1N2	REAL300007076922	1	56	0.0	-75.62	416.79	9.88	-65.74
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)O1	REAL300007076960	0	54	0.0	-70.10	400.65	9.44	-60.66
O=C([O-])CC1CN(C(=O)CCCC[NH+]2CCCC2)C2(CCC2)CO1	REAL300007076961	0	54	0.0	-69.40	394.90	9.67	-59.73
CC1=CC=C(N2CCC(C(=O)N3CC(CC(=O)[O-])OCC34CCC4)CC2)[NH+]=C1	REAL300007076963	1	57	0.0	-65.28	416.88	9.30	-55.98
C[N@H+](CC(=O)N1CC(CC(=O)[O-])OCC12CCC2)CC1=CC=CC=C1	REAL300007076964	1	51	0.0	-69.99	380.26	9.91	-60.08
C[N@@H+](CC(=O)N1CC(CC(=O)[O-])OCC12CCC2)CC1=CC=CC=C1	REAL300007076964	1	51	0.0	-70.31	380.25	9.91	-60.40
O=C([O-])CC1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C2(CCC2)CO1	REAL300007076989	1	46	0.0	-75.18	360.40	7.45	-67.73
C[NH+](C)CC1=CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)=NO1	REAL300007077011	1	47	0.0	-79.20	359.79	7.56	-71.64
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007077015	0	58	0.0	-74.99	426.38	11.13	-63.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007077015	1	58	0.0	-67.41	425.70	11.08	-56.33
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007077028	0	51	0.0	-61.98	359.26	8.27	-53.71
CC(C)[N@H+]1CCCC1C(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300007077028	1	51	0.0	-64.77	343.89	8.17	-56.60
C[NH+]1CCC(OCC(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007077048	0	52	0.0	-72.70	383.51	8.29	-64.41
O=C([O-])CC1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C2(CCC2)CO1	REAL300007077053	0	55	0.0	-69.84	405.37	9.86	-59.98
CCC[N@@H+]1CCCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007077201	0	54	0.0	-66.29	385.93	9.21	-57.08
CCC[N@H+]1CCCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007077201	1	54	0.0	-64.82	376.62	9.20	-55.62
O=C([O-])CC1CN(C(=O)C[NH+]2CCC(CO)CC2)C2(CCC2)CO1	REAL300007077226	0	52	0.0	-69.55	376.88	5.48	-64.07
CC(C)[N@@H+]1CCCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007077407	0	54	0.0	-64.29	371.84	8.87	-55.42
CC(C)[N@H+]1CCCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007077407	1	54	0.0	-65.62	382.02	8.91	-56.71
C[N@@H+]1CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C(F)(F)F)C1	REAL300007077408	0	48	0.0	-79.78	365.09	7.79	-71.99
C[N@H+]1CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C(F)(F)F)C1	REAL300007077408	1	48	0.0	-78.84	353.24	7.62	-71.22
CC1=C(C)[NH+]=C(CCC(=O)N2CC(CC(=O)[O-])OCC23CCC3)N1	REAL300007077432	1	49	0.0	-62.86	373.80	7.64	-55.22
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300007077824	0	54	0.0	-72.28	402.79	10.16	-62.12
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1	REAL300007077831	0	55	0.0	-73.55	410.40	9.13	-64.42
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007077945	0	48	0.0	-66.65	352.79	8.07	-58.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300007077949	0	54	0.0	-70.17	371.22	8.59	-61.58
CC1=[NH+]C=C2C=CC(C(=O)N3CC(CC(=O)[O-])OCC34CCC4)=CN21	REAL300007077953	0	46	0.0	-63.90	354.81	9.28	-54.62
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007078004	0	57	0.0	-63.08	391.61	9.94	-53.14
CC(C)C[N@H+]1CCCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007078004	1	57	0.0	-67.13	400.73	9.82	-57.31
CC[N@@H+]1CCCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007078005	0	51	0.0	-68.26	365.22	8.51	-59.75
CC[N@H+]1CCCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007078005	1	51	0.0	-64.60	355.14	8.45	-56.15
C[N@@H+]1CCCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007078009	0	48	0.0	-67.53	346.78	7.80	-59.73
C[N@H+]1CCCC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300007078009	1	48	0.0	-65.46	337.45	7.80	-57.66
C[NH+](C)CC1=CC=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)O1	REAL300007078011	1	48	0.0	-71.84	363.74	7.99	-63.85
O=C([O-])CC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C2(CCC2)CO1	REAL300007078019	0	50	0.0	-56.74	361.02	8.66	-48.08
O=C([O-])CC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C2(CCC2)CO1	REAL300007078019	1	50	0.0	-62.62	349.25	9.13	-53.49
CC1=CC=CC=C1OC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300007078104	0	51	0.0	-52.52	399.08	10.79	-41.73
CC1=CC=CC=C1OC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300007078104	1	51	0.0	-52.77	399.17	10.81	-41.96
CC1=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=N1	REAL300007078195	0	45	0.0	-51.11	350.22	7.09	-44.02
CC1=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=N1	REAL300007078195	1	45	0.0	-51.66	351.39	7.12	-44.54
COC1=CC(F)=CC(F)=C1C1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300007078287	0	52	0.0	-50.68	403.07	8.42	-42.26
COC1=CC(F)=CC(F)=C1C1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300007078287	1	52	0.0	-47.18	396.43	7.98	-39.20
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3CC3)C3=C(F)C=CC=C32)C1	REAL300007078389	0	50	0.0	-52.97	368.95	9.26	-43.71
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3CC3)C3=C(F)C=CC=C32)C1	REAL300007078389	1	50	0.0	-52.43	369.19	9.54	-42.89
CC1(C)CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1OCC1=CC=CC=C1	REAL300007078559	0	57	0.0	-48.14	435.40	10.26	-37.88
CC1(C)CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1OCC1=CC=CC=C1	REAL300007078559	1	57	0.0	-51.33	438.36	10.05	-41.28
NS(=O)(=O)C1=CC=CC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007078665	0	48	0.0	-60.74	385.45	4.52	-56.22
NS(=O)(=O)C1=CC=CC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007078665	1	48	0.0	-61.09	379.90	4.55	-56.54
CNS(=O)(=O)NCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007078780	0	46	0.0	-57.39	371.99	-0.09	-57.48
CNS(=O)(=O)NCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007078780	1	46	0.0	-57.84	372.63	-0.07	-57.91
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007078880	0	44	0.0	-72.92	344.03	7.46	-65.46
C[NH+](C)CCC1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CCO1	REAL300007078881	0	48	0.0	-77.51	374.27	7.72	-69.79
C[NH+](C)CCC1CN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300007078882	0	44	0.0	-80.35	344.04	7.46	-72.89
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C(=O)[O-])S2)CCO1	REAL300007078883	0	41	0.0	-70.26	334.83	6.49	-63.77
C[NH+](C)CCC1CN(C(=O)C2=CC=CC(C(=O)[O-])=N2)CCO1	REAL300007078884	0	43	0.0	-65.90	339.01	6.51	-59.39
CC(SC1=CC=CC=C1C(=O)N1CCOC(CC[NH+](C)C)C1)C(=O)[O-]	REAL300007078885	0	51	0.0	-71.26	401.22	9.23	-62.03
CCOC1=CC(C(=O)N2CCOC(CC[NH+](C)C)C2)=CC=C1OCC(=O)[O-]	REAL300007078886	0	55	0.0	-75.23	426.13	8.44	-66.79
C[NH+](C)CCC1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007078887	0	50	0.0	-77.93	389.90	9.28	-68.65
C[NH+](C)CCC1CN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CCO1	REAL300007078888	0	43	0.0	-81.66	338.84	5.67	-75.99
C[NH+](C)CCC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007078889	0	48	0.0	-77.32	377.20	8.94	-68.38
C[NH+](C)CCC1CN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007078890	0	52	0.0	-76.96	422.55	4.12	-72.84
C[NH+](C)CCC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCO1	REAL300007078891	0	46	0.0	-64.76	372.18	8.12	-56.64
C[NH+](C)CCC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCO1	REAL300007078892	0	46	0.0	-64.76	372.18	8.12	-56.64
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCOC(CC[NH+](C)C)C2)C=C1	REAL300007078893	0	54	0.0	-77.33	418.04	8.97	-68.36
C[NH+](C)CCC1CN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CCO1	REAL300007078894	0	51	0.0	-77.35	398.31	8.57	-68.78
C[NH+](C)CCC1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CCO1	REAL300007078895	0	50	0.0	-75.47	381.30	9.00	-66.47
CC1=CC(C(=O)N2CCOC(CC[NH+](C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300007078896	0	54	0.0	-74.92	418.15	9.24	-65.68
C[NH+](C)CCC1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300007078897	0	47	0.0	-80.08	368.48	8.44	-71.64
C[NH+](C)CCC1CN(C(=O)C2CCCC(C(=O)[O-])C2)CCO1	REAL300007078898	0	50	0.0	-68.61	369.13	7.85	-60.76
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300007078899	0	43	0.0	-74.03	339.72	5.57	-68.46
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CCO1	REAL300007078900	0	43	0.0	-65.92	338.28	6.52	-59.40
C[NH+](C)CCC1CN(C(=O)CC(C)(C)CC(=O)[O-])CCO1	REAL300007078901	0	49	0.0	-72.19	352.99	7.22	-64.97
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CCO1	REAL300007078902	0	44	0.0	-71.78	348.97	7.45	-64.33
C[NH+](C)CCC1CN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CCO1	REAL300007078903	0	42	0.0	-68.20	333.83	4.66	-63.54
C[NH+](C)CCC1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CCO1	REAL300007078904	0	50	0.0	-73.07	369.64	7.87	-65.20
C[NH+](C)CCC1CN(C(=O)C2CCC(C(=O)[O-])CC2)CCO1	REAL300007078905	0	50	0.0	-72.99	369.93	7.87	-65.12
C[NH+](C)CCC1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007078906	0	47	0.0	-82.92	368.50	8.47	-74.45
C[NH+](C)CCC1CN(C(=O)CN2C=C(C(=O)[O-])N=N2)CCO1	REAL300007078907	0	43	0.0	-84.48	345.66	4.39	-80.09
CC1=NC(C(=O)N2CCOC(CC[NH+](C)C)C2)=CC=C1C(=O)[O-]	REAL300007078908	0	46	0.0	-67.63	358.79	7.13	-60.50
C[NH+](C)CCC1CN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CCO1	REAL300007078909	0	44	0.0	-72.17	365.30	8.04	-64.13
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007078910	0	44	0.0	-72.92	344.03	7.46	-65.46
C[NH+](C)CCC1CN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)CCO1	REAL300007078911	0	47	0.0	-72.92	365.36	8.21	-64.71
C[NH+](C)CCC1CN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CCO1	REAL300007078912	0	54	0.0	-80.97	406.24	11.32	-69.65
C[NH+](C)CCC1CN(C(=O)C2=C(CC(=O)[O-])OC=C2)CCO1	REAL300007078913	0	44	0.0	-71.21	345.11	6.45	-64.76
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCOC(CC[NH+](C)C)C1	REAL300007078914	0	47	0.0	-78.63	373.63	7.26	-71.37
C[NH+](C)CCC1CN(C(=O)C2=CC(C(=O)[O-])=CC=N2)CCO1	REAL300007078915	0	43	0.0	-72.79	338.29	6.51	-66.28
C[NH+](C)CCC1CN(C(=O)CC2CCC(C(=O)[O-])CC2)CCO1	REAL300007078916	0	53	0.0	-78.52	388.63	8.72	-69.80
C[NH+](C)CCC1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CCO1	REAL300007078917	0	51	0.0	-85.47	370.13	7.82	-77.65
C[NH+](C)CCC1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1	REAL300007078918	0	54	0.0	-74.72	378.28	8.09	-66.63
C[NH+](C)CCC1CN(C(=O)CC(C)(C)CC(=O)[O-])CCO1	REAL300007078919	0	49	0.0	-72.19	352.99	7.22	-64.97
C[NH+](C)CCC1CN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CCO1	REAL300007078920	0	46	0.0	-86.28	371.91	6.45	-79.83
C[NH+](C)CCC1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CCO1	REAL300007078921	0	51	0.0	-76.53	394.82	8.59	-67.94
C[NH+](C)CCC1CN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CCO1	REAL300007078922	0	57	0.0	-72.94	422.75	10.70	-62.24
CC1=C(C(=O)N2CCOC(CC[NH+](C)C)C2)C=C(C(=O)[O-])O1	REAL300007078923	0	44	0.0	-71.24	347.17	6.71	-64.53
CC1=C(C(=O)[O-])OC(C(=O)N2CCOC(CC[NH+](C)C)C2)=C1	REAL300007078924	0	44	0.0	-66.06	344.97	6.65	-59.41
C[NH+](C)CCC1CN(C(=O)CN2C=C(C(=O)[O-])C=N2)CCO1	REAL300007078925	0	44	0.0	-81.35	350.54	5.87	-75.48
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)CCO1	REAL300007078926	0	45	0.0	-68.84	360.49	7.41	-61.43
C[NH+](C)CCC1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CCO1	REAL300007078927	0	51	0.0	-61.89	370.40	8.02	-53.87
C[NH+](C)CCC1CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCO1	REAL300007078928	0	48	0.0	-72.79	375.04	7.74	-65.05
C[NH+](C)CCC1CN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CCO1	REAL300007078929	0	53	0.0	-84.31	411.30	8.29	-76.02
C[NH+](C)CCC1CN(C(=O)CCSCC(=O)[O-])CCO1	REAL300007078930	0	44	0.0	-71.34	353.64	6.98	-64.36
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CCO1	REAL300007078931	0	43	0.0	-65.92	338.28	6.52	-59.40
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C[NH+](C)CCC1CN(C(=O)C(C)(C)CCC(=O)[O-])CCO1	REAL300007078934	0	49	0.0	-77.83	353.63	6.77	-71.06
C[NH+](C)CCC1CN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CCO1	REAL300007078935	0	47	0.0	-72.48	365.20	8.19	-64.29
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CCO1	REAL300007078936	0	48	0.0	-74.89	375.16	8.71	-66.18
C[NH+](C)CCC1CN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CCO1	REAL300007078937	0	45	0.0	-74.14	361.77	7.21	-66.93
C[NH+](C)CCC1CN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CCO1	REAL300007078938	0	50	0.0	-71.71	383.54	8.93	-62.78
C[NH+](C)CCC1CN(C(=O)COCC2=C(C(=O)[O-])N=CO2)CCO1	REAL300007078939	0	47	0.0	-82.54	376.63	3.55	-78.99
C[NH+](C)CCC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CCO1	REAL300007078940	0	45	0.0	-71.58	363.32	7.57	-64.01
CC1=CC=C(C(=O)N2CCOC(CC[NH+](C)C)C2)C=C1C(=O)[O-]	REAL300007078941	0	47	0.0	-78.00	359.06	7.96	-70.04
C[NH+](C)CCC1CN(C(=O)C2=CN=CC(C(=O)[O-])=C2)CCO1	REAL300007078942	0	43	0.0	-71.60	339.05	5.59	-66.01
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCOC(CC[NH+](C)C)C1	REAL300007078943	0	46	0.0	-68.02	356.84	6.24	-61.78
C[NH+](C)CCC1CN(C(=O)CN2C=CC(C(=O)[O-])=N2)CCO1	REAL300007078944	0	44	0.0	-90.34	349.92	5.89	-84.45
C[NH+](C)CCC1CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CCO1	REAL300007078945	0	50	0.0	-92.89	393.52	7.33	-85.56
C[NH+](C)CCC1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCO1	REAL300007078946	0	51	0.0	-81.41	384.22	7.55	-73.86
C[NH+](C)CCC1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1	REAL300007078947	0	51	0.0	-74.88	386.62	6.59	-68.29
CC1=C(C(=O)N2CCOC(CC[NH+](C)C)C2)OC(C(=O)[O-])=C1	REAL300007078948	0	44	0.0	-66.26	344.78	6.74	-59.52
C[NH+](C)CCC1CN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CCO1	REAL300007078949	0	52	0.0	-75.88	366.39	9.07	-66.81
C[NH+](C)CCC1CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCO1	REAL300007078950	0	50	0.0	-75.29	356.65	7.91	-67.38
C[NH+](C)CCC1CN(C(=O)CN2CCCC(C(=O)[O-])C2)CCO1	REAL300007078951	1	52	0.0	-72.58	383.71	5.81	-66.77
C[NH+](C)CCC1CN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CCO1	REAL300007078952	0	51	0.0	-62.26	388.01	9.37	-52.89
C[NH+](C)CCC1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CCO1	REAL300007078953	0	51	0.0	-76.53	394.82	8.59	-67.94
C[NH+](C)CCC1CN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CCO1	REAL300007078954	0	51	0.0	-89.88	401.84	9.86	-80.02
C[NH+](C)CCC1CN(C(=O)C2CC3(CC3C(=O)[O-])C2)CCO1	REAL300007078955	0	48	0.0	-68.91	365.83	8.10	-60.81
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCOC(CC[NH+](C)C)C1	REAL300007078956	0	50	0.0	-82.76	372.70	8.87	-73.89
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C[NH+](C)CCC1CN(C(=O)C2=C(C(=O)[O-])SC=C2)CCO1	REAL300007078958	0	41	0.0	-75.69	333.06	7.36	-68.33
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCOC(CC[NH+](C)C)C1	REAL300007078959	0	46	0.0	-69.57	351.39	6.07	-63.50
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCOC(CC[NH+](C)C)C1	REAL300007078960	0	47	0.0	-73.39	362.38	8.04	-65.35
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CCO1	REAL300007078961	0	44	0.0	-70.90	358.13	7.89	-63.01
C[NH+](C)CCC1CN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CCO1	REAL300007078962	0	51	0.0	-74.93	384.01	8.60	-66.33
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCOC(CC[NH+](C)C)C2)=C1	REAL300007078963	0	47	0.0	-63.48	368.62	5.79	-57.69
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCOC(CC[NH+](C)C)C1	REAL300007078964	0	45	0.0	-73.34	343.34	6.63	-66.71
C[NH+](C)CCC1CN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CCO1	REAL300007078965	0	50	0.0	-72.56	386.59	8.99	-63.57
CC1=NNC(C(=O)N2CCOC(CC[NH+](C)C)C2)=C1C(=O)[O-]	REAL300007078966	0	44	0.0	-69.50	345.93	4.35	-65.15
CC1=C(C(=O)[O-])C(C(=O)N2CCOC(CC[NH+](C)C)C2)=NN1	REAL300007078966	1	44	0.0	-84.23	338.88	5.98	-78.25
C[NH+](C)CCC1CN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CCO1	REAL300007078967	0	48	0.0	-71.87	377.50	8.26	-63.61
C[NH+](C)CCC1CN(C(=O)C2=CSC(C(=O)[O-])=N2)CCO1	REAL300007078968	0	40	0.0	-63.22	330.58	5.41	-57.81
CC1=C(C(=O)N2CCOC(CC[NH+](C)C)C2)C=C(C(=O)[O-])S1	REAL300007078969	0	44	0.0	-69.21	354.29	7.28	-61.93
C[NH+](C)CCC1CN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CCO1	REAL300007078970	0	44	0.0	-75.01	370.61	7.94	-67.07
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C[NH+](C)CCC1CN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CCO1	REAL300007078973	0	47	0.0	-80.34	376.94	8.69	-71.65
C[NH+](C)CCC1CN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CCO1	REAL300007078974	0	49	0.0	-80.02	377.49	7.25	-72.77
C[NH+](C)CCC1CN(C(=O)C23CC(C(=O)[O-])(C2)CO3)CCO1	REAL300007078975	0	46	0.0	-68.66	351.61	5.59	-63.07
C[NH+](C)CCC1CN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007078976	0	48	0.0	-77.26	377.30	8.97	-68.29
C[NH+](C)CCC1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CCO1	REAL300007078977	0	51	0.0	-61.89	370.40	8.02	-53.87
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C[NH+](C)CCC1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CCO1	REAL300007078979	0	45	0.0	-69.09	365.75	7.00	-62.09
C[NH+](C)CCC1CN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CCO1	REAL300007078980	0	45	0.0	-74.77	365.89	7.09	-67.68
C[NH+](C)CCC1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CCO1	REAL300007078981	0	45	0.0	-69.49	357.10	6.12	-63.37
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCOC(CC[NH+](C)C)C1	REAL300007078982	0	47	0.0	-75.27	357.44	7.91	-67.36
C[NH+](C)CCC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300007078983	0	47	0.0	-78.89	373.05	7.18	-71.71
C[NH+](C)CCC1CN(C(=O)C2=CC(C(=O)[O-])=CS2)CCO1	REAL300007078984	0	41	0.0	-78.77	333.95	6.40	-72.37
C[NH+](C)CCC1CN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CCO1	REAL300007078985	0	49	0.0	-76.56	363.08	6.11	-70.45
C[NH+](C)CCC1CN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CCO1	REAL300007078986	0	50	0.0	-76.98	382.40	9.52	-67.46
CC(C)[C@]1(C(=O)N2CCOC(CC[NH+](C)C)C2)C[C@H]1C(=O)[O-]	REAL300007078987	0	50	0.0	-71.38	368.03	7.47	-63.91
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCOC(CC[NH+](C)C)C1	REAL300007078988	0	50	0.0	-84.17	385.23	8.94	-75.23
C[NH+](C)CCC1CN(C(=O)CC2=CC(C(=O)[O-])=CS2)CCO1	REAL300007078989	0	44	0.0	-81.85	360.04	7.60	-74.25
C[NH+](C)CCC1CN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CCO1	REAL300007078990	0	47	0.0	-85.96	373.04	8.48	-77.48
C[NH+](C)CCC1CN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CCO1	REAL300007078991	0	51	0.0	-72.10	391.13	8.97	-63.13
C[NH+](C)CCC1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1	REAL300007078992	0	54	0.0	-74.72	378.28	8.09	-66.63
CC12CC3CC(C)(C1)CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)(C3)C2	REAL300007079073	0	60	0.0	-47.23	416.39	10.61	-36.62
CC12CC3CC(C)(C1)CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)(C3)C2	REAL300007079073	1	60	0.0	-44.35	408.91	10.16	-34.19
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=CC=C3CC2)C1	REAL300007079173	0	47	0.0	-49.28	340.50	10.59	-38.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=CC=C3CC2)C1	REAL300007079173	1	47	0.0	-48.76	346.69	10.44	-38.32
CC(C)OC1=CC=CC=C1[C@H](C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007079288	0	53	0.0	-49.10	400.65	9.22	-39.88
CC(C)OC1=CC=CC=C1[C@H](C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007079288	1	53	0.0	-49.33	395.18	9.25	-40.08
COC1=CC(O)=CC=C1OCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007079417	0	49	0.0	-51.93	386.22	4.05	-47.88
COC1=CC(O)=CC=C1OCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007079417	1	49	0.0	-52.01	386.86	4.07	-47.94
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300007079543	0	54	0.0	-57.39	393.79	3.95	-53.44
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300007079543	1	54	0.0	-58.35	399.65	3.94	-54.41
CC1CCC2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2C1	REAL300007079645	0	53	0.0	-45.32	371.26	10.39	-34.93
CC1CCC2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2C1	REAL300007079645	1	53	0.0	-45.83	364.09	10.16	-35.67
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCCCCCC2)C1	REAL300007079721	0	52	0.0	-42.06	350.06	9.56	-32.50
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCCCCCC2)C1	REAL300007079721	1	52	0.0	-46.58	352.41	10.07	-36.51
CCOCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007081016	0	50	0.0	-75.53	390.95	8.28	-67.25
CCOCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300007081781	0	47	0.0	-59.96	367.96	7.24	-52.72
CCOCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300007081781	1	47	0.0	-59.89	367.93	7.22	-52.67
CCOCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300007082578	0	50	0.0	-65.27	393.40	8.29	-56.98
CCOCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300007082639	1	49	0.0	-75.19	398.67	6.09	-69.10
CCOCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300007082695	0	53	0.0	-79.61	424.08	7.89	-71.72
CCOCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007082708	0	53	0.0	-80.79	424.51	10.20	-70.59
CCOCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007082708	1	53	0.0	-79.35	424.87	10.24	-69.11
CCOCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007082709	0	53	0.0	-56.99	403.88	8.74	-48.25
CCOCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007082749	0	50	0.0	-67.48	405.47	8.65	-58.83
CCOCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007082749	1	50	0.0	-68.18	406.28	8.68	-59.50
CCOCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300007082781	0	49	0.0	-50.88	349.90	6.46	-44.42
CCOCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300007082783	0	49	0.0	-66.81	368.55	6.70	-60.11
CCOCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300007082783	1	49	0.0	-66.24	368.41	6.72	-59.52
CCOCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007082808	1	47	0.0	-66.75	381.83	7.88	-58.87
CCOCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007082808	1	47	0.0	-64.24	379.29	7.72	-56.52
CCOCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300007082855	0	43	0.0	-80.75	359.29	5.75	-75.00
CCOCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300007082860	0	53	0.0	-82.93	423.28	7.89	-75.04
CCOCC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300007082885	0	50	0.0	-58.64	364.05	7.06	-51.58
CCOCC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300007082885	1	50	0.0	-57.33	362.32	7.05	-50.28
CCOCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300007082886	0	51	0.0	-78.46	381.72	5.42	-73.04
CCOCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300007082911	1	47	0.0	-75.02	367.92	4.71	-70.31
CCOCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300007082912	0	52	0.0	-81.92	388.43	7.96	-73.96
CCOCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300007082912	1	52	0.0	-81.95	389.45	8.06	-73.89
CCOCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007082933	0	47	0.0	-66.90	373.33	7.48	-59.42
CCOCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007082933	1	47	0.0	-66.78	372.80	7.50	-59.28
CCOCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300007082934	0	48	0.0	-74.09	369.96	6.74	-67.35
CCOCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300007082955	1	52	0.0	-65.77	403.05	6.42	-59.35
CCOCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300007082956	0	51	0.0	-69.49	367.45	5.00	-64.49
CCOCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300007082959	0	46	0.0	-59.02	365.13	7.07	-51.95
CCOCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300007082959	1	46	0.0	-57.79	364.43	7.10	-50.69
CCOCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007082968	0	53	0.0	-58.09	406.73	9.39	-48.70
CCOCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007082968	1	53	0.0	-70.29	413.80	9.15	-61.14
CCC[NH+](CCC)CCCC(=O)NC(COCC)C(=O)[O-]	REAL300007083005	0	51	0.0	-70.57	388.22	7.02	-63.55
CCOCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300007083006	1	51	0.0	-60.77	398.04	5.04	-55.73
CCOCC(NC(=O)C(C1=CC=CC=C1)[N@H+](C)CC)C(=O)[O-]	REAL300007083007	0	46	0.0	-53.41	362.65	7.25	-46.16
CCOCC(NC(=O)C(C1=CC=CC=C1)[N@@H+](C)CC)C(=O)[O-]	REAL300007083007	1	46	0.0	-54.54	353.76	6.92	-47.62
CCOCC(NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300007083011	0	49	0.0	-61.73	368.70	7.49	-54.24
CCOCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300007083014	1	43	0.0	-62.96	361.54	7.11	-55.85
CCOCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300007083028	0	47	0.0	-82.01	372.22	7.68	-74.33
CCOCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300007083035	0	50	0.0	-75.20	389.85	8.45	-66.75
CCOCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300007083041	0	58	0.0	-71.53	425.00	6.04	-65.49
CCOCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300007083047	1	54	0.0	-85.91	422.64	7.50	-78.41
CCOCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007083058	1	51	0.0	-79.94	397.68	7.58	-72.36
CCOCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007083058	1	51	0.0	-78.30	397.55	7.62	-70.68
CCOCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300007083072	0	50	0.0	-54.01	388.68	8.30	-45.71
CCOCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300007083072	1	50	0.0	-54.86	378.82	8.11	-46.75
CCOCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300007083074	1	41	0.0	-81.62	344.31	4.95	-76.67
CCOCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300007083082	0	50	0.0	-82.90	389.54	8.41	-74.49
CCOCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300007083093	1	43	0.0	-79.72	353.41	5.24	-74.48
CCOCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300007083094	0	46	0.0	-87.14	370.29	7.45	-79.69
CCOCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007083101	1	48	0.0	-73.45	376.62	6.98	-66.47
CCOCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007083101	1	48	0.0	-58.07	377.19	6.95	-51.12
CCOCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300007083106	0	57	0.0	-64.99	427.01	9.70	-55.29
CCOCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300007083106	1	57	0.0	-67.50	434.33	9.93	-57.57
CCOCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007083114	0	56	0.0	-57.90	422.99	9.45	-48.45
CCOCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007083145	0	46	0.0	-62.22	368.78	7.56	-54.66
CCOCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007083145	1	46	0.0	-63.16	369.27	7.55	-55.61
CCOCC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300007083146	0	50	0.0	-69.25	398.18	3.77	-65.48
CCOCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300007083146	1	50	0.0	-66.16	398.13	3.75	-62.41
CCOCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007083155	0	55	0.0	-74.39	424.44	7.24	-67.15
CCOCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300007083187	0	51	0.0	-72.66	385.49	4.27	-68.39
CCOCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300007083187	1	51	0.0	-66.65	381.80	4.07	-62.58
CCOCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300007083188	0	54	0.0	-72.09	406.50	5.09	-67.00
CCOCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300007083188	1	54	0.0	-70.28	403.30	4.86	-65.42
CCOCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300007083193	0	55	0.0	-69.62	423.85	7.11	-62.51
CCOCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007083195	0	52	0.0	-70.08	402.94	6.43	-63.65
CCOCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300007083199	0	49	0.0	-69.63	385.71	6.54	-63.09
CCOCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300007083199	1	49	0.0	-68.62	379.89	6.73	-61.89
CCOCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007083203	1	47	0.0	-60.01	365.05	7.71	-52.30
CCOCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007083203	1	47	0.0	-58.97	365.46	7.66	-51.31
CCOCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007083230	0	50	0.0	-74.25	395.03	8.37	-65.88
CCOCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007083230	1	50	0.0	-74.59	395.60	8.35	-66.24
CCOCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300007083255	0	50	0.0	-68.21	390.94	8.58	-59.63
CCOCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300007083255	1	50	0.0	-70.48	397.52	8.40	-62.08
CCOCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300007083258	0	51	0.0	-69.58	400.67	5.85	-63.73
CCOCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300007083292	1	50	0.0	-80.40	387.54	6.58	-73.82
CCOCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300007083293	0	50	0.0	-63.12	375.68	7.03	-56.09
CCOCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300007083293	1	50	0.0	-67.19	374.98	6.99	-60.20
CCOCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300007083309	0	55	0.0	-78.95	422.28	7.03	-71.92
CCOCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300007083309	1	55	0.0	-72.80	419.10	6.93	-65.87
CCOCC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300007083313	0	47	0.0	-58.64	350.94	4.19	-54.45
CCOCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300007083317	0	56	0.0	-74.94	420.03	6.84	-68.10
CCOCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300007083317	1	56	0.0	-64.35	420.03	6.85	-57.50
CCOCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300007083318	0	50	0.0	-83.45	394.01	5.97	-77.48
CCOCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300007083318	1	50	0.0	-69.10	375.60	5.18	-63.92
CCOCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300007083323	0	52	0.0	-77.39	406.97	6.02	-71.37
CCOCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300007083324	0	52	0.0	-80.12	406.03	5.84	-74.28
CCOCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300007083324	1	52	0.0	-83.45	406.37	5.91	-77.54
CCOCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300007083325	0	53	0.0	-81.77	413.28	7.74	-74.03
CCOCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300007083403	0	54	0.0	-86.00	421.04	5.78	-80.22
CCOCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007083405	0	50	0.0	-65.48	391.29	8.28	-57.20
CCOCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007083405	1	50	0.0	-66.94	391.21	8.28	-58.66
CCOCC(NC(=O)CCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300007083455	0	48	0.0	-72.64	367.58	3.60	-69.04
CCOCC(NC(=O)CC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300007083455	1	48	0.0	-66.17	368.75	3.75	-62.42
CCOCC(NC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300007083458	0	49	0.0	-53.36	355.71	7.07	-46.29
CCOCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007083463	0	48	0.0	-65.51	383.12	4.58	-60.93
CCOCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007083463	1	48	0.0	-63.81	383.47	4.58	-59.23
CCOCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300007083467	0	46	0.0	-56.99	374.98	6.97	-50.02
CCOCC(NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300007083469	0	52	0.0	-63.16	410.55	8.36	-54.80
CCOCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300007083516	1	48	0.0	-83.78	383.09	7.03	-76.75
CCOCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300007083516	1	48	0.0	-83.29	383.15	7.05	-76.24
CCOCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300007083567	0	46	0.0	-75.95	365.46	6.02	-69.93
CCOCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300007083568	1	49	0.0	-72.46	384.17	6.18	-66.28
CCOCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300007083571	0	55	0.0	-83.06	416.30	6.97	-76.09
CCOCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300007083580	1	38	0.0	-79.54	329.44	4.54	-75.00
CCOCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300007083611	0	50	0.0	-69.89	391.59	8.20	-61.69
CCOCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300007083611	1	50	0.0	-76.26	394.85	8.08	-68.18
CCOCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300007083627	0	51	0.0	-84.11	412.62	7.57	-76.54
CCOCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300007083644	0	47	0.0	-77.00	375.22	6.69	-70.31
CCOCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300007083671	0	49	0.0	-62.37	384.00	6.33	-56.04
CCOCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300007083671	1	49	0.0	-54.44	382.76	6.39	-48.05
CCOCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300007083882	0	51	0.0	-78.39	398.14	8.58	-69.81
CCOCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300007083882	1	51	0.0	-77.34	399.40	8.63	-68.71
CCOCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300007083980	0	40	0.0	-72.42	322.08	5.56	-66.86
CCOCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300007083980	1	40	0.0	-65.81	334.09	4.83	-60.98
CCOCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300007084356	0	46	0.0	-80.74	370.78	7.44	-73.30
CCOCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300007084360	0	47	0.0	-83.17	378.08	6.40	-76.77
CCOCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007084428	0	53	0.0	-68.26	409.84	9.04	-59.22
CCOCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300007084430	1	51	0.0	-85.51	395.52	6.82	-78.69
CCOCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300007084430	1	51	0.0	-85.60	395.51	6.81	-78.79
CCOCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300007084501	0	49	0.0	-61.16	362.16	7.04	-54.12
CCOCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300007084501	1	49	0.0	-61.16	362.16	7.04	-54.12
CCOCC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300007084506	0	49	0.0	-76.34	359.64	6.24	-70.10
CCOCC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300007084506	1	49	0.0	-76.34	359.64	6.24	-70.10
NS(=O)(=O)C1=CC2=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007084579	0	48	0.0	-55.70	381.03	4.68	-51.02
COC1=CC=CC(C(=O)C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300007084692	0	56	0.0	-51.94	416.15	9.68	-42.26
COC1=CC=CC(C(=O)C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300007084692	1	56	0.0	-51.94	416.15	9.68	-42.26
CN1C=CC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007084783	0	44	0.0	-51.50	338.72	9.07	-42.43
CC1CCC2CCCCC2N1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007084916	0	53	0.0	-41.62	358.89	9.88	-31.74
CC1CCC2CCCCC2N1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007084916	1	53	0.0	-41.62	358.89	9.88	-31.74
CN1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007085797	0	56	0.0	-96.83	414.56	11.09	-85.74
CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007086928	0	50	0.0	-90.58	362.89	8.73	-81.85
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C)C4=CC=C(C(=O)[O-])C=C43)CN12	REAL300007086950	1	48	0.0	-80.55	363.18	8.66	-71.89
CC(C(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21)N1CC[NH+](C)CC1	REAL300007087015	1	51	0.0	-81.46	365.03	5.66	-75.80
CN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C2=CC(C(=O)[O-])=CC=C21	REAL300007087045	0	46	0.0	-81.87	326.06	7.21	-74.66
CN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C2=CC(C(=O)[O-])=CC=C21	REAL300007087045	1	46	0.0	-76.93	338.40	7.67	-69.26
CN1CCN(C(=O)C2CC[NH+](C)CC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087110	0	46	0.0	-93.90	338.06	7.52	-86.38
CN1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087167	0	55	0.0	-86.77	396.92	9.83	-76.94
CN1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087167	1	55	0.0	-87.00	396.91	9.85	-77.15
CN1CCN(C(=O)C2CCC[N@@H+]2C)C2=CC(C(=O)[O-])=CC=C21	REAL300007087179	0	43	0.0	-80.38	322.79	7.04	-73.34
CN1CCN(C(=O)C2CCC[N@H+]2C)C2=CC(C(=O)[O-])=CC=C21	REAL300007087179	1	43	0.0	-80.11	316.82	6.67	-73.44
CN1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087227	0	49	0.0	-98.42	389.12	8.55	-89.87
CN1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087238	0	57	0.0	-97.07	405.36	8.13	-88.94
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21	REAL300007087270	1	47	0.0	-83.43	368.83	9.16	-74.27
CN1CCN(C(=O)CCCC[NH+]2CCOCC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087271	1	53	0.0	-90.23	396.77	7.84	-82.39
CC[N@H+](CC1=CC=C(C(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)C=C1)C(C)C	REAL300007087273	0	58	0.0	-96.92	426.18	11.01	-85.91
CC[N@@H+](CC1=CC=C(C(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)C=C1)C(C)C	REAL300007087273	1	58	0.0	-95.31	418.56	10.61	-84.70
CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C2=CC(C(=O)[O-])=CC=C21	REAL300007087276	0	43	0.0	-79.00	322.11	6.99	-72.01
CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)C2=CC(C(=O)[O-])=CC=C21	REAL300007087276	1	43	0.0	-81.27	315.89	6.65	-74.62
CN1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087312	0	53	0.0	-85.58	402.37	10.58	-75.00
CN1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087312	1	53	0.0	-89.05	399.92	10.52	-78.53
CN1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087313	0	54	0.0	-96.38	393.26	9.50	-86.88
CN1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087337	0	57	0.0	-88.98	394.56	8.10	-80.88
CCC(C(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21)[NH+](CC)CC	REAL300007087341	0	51	0.0	-75.62	356.41	7.99	-67.63
CC(C(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21)[N@H+](C)CC1=CC=CC=C1	REAL300007087343	0	52	0.0	-84.16	390.60	10.13	-74.03
CC(C(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21)[N@@H+](C)CC1=CC=CC=C1	REAL300007087343	1	52	0.0	-85.41	391.73	10.18	-75.23
CN1CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087363	0	48	0.0	-93.57	368.32	7.76	-85.81
CCC[NH+](CCC)CCCC(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21	REAL300007087367	0	57	0.0	-85.80	416.67	10.17	-75.63
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21	REAL300007087376	1	47	0.0	-77.58	364.29	8.93	-68.65
CN1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087391	0	53	0.0	-99.75	403.17	10.58	-89.17
CN1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087396	0	56	0.0	-87.99	414.13	11.16	-76.83
CN1CCN(C(=O)C2(C[NH+](C)C)CC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087399	0	46	0.0	-82.60	346.35	7.70	-74.90
CN1CCN(C(=O)CCCC[NH+](C)C)C2=CC(C(=O)[O-])=CC=C21	REAL300007087407	0	48	0.0	-88.68	363.87	8.39	-80.29
CN1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087431	0	56	0.0	-99.92	419.92	11.29	-88.63
CN1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087443	1	49	0.0	-89.77	379.52	8.67	-81.10
CN1CCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087444	0	52	0.0	-101.90	400.85	10.28	-91.62
CCC[N@H+](C)CC(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21	REAL300007087456	0	45	0.0	-82.01	337.76	7.52	-74.49
CCC[N@@H+](C)CC(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21	REAL300007087456	1	45	0.0	-82.77	336.86	7.59	-75.18
CN1CCN(C(=O)C[N@H+](C)C2CCC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087471	0	46	0.0	-80.52	343.86	8.18	-72.34
CN1CCN(C(=O)C[N@@H+](C)C2CCC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087471	1	46	0.0	-79.34	344.25	8.18	-71.16
CN1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2=CC(C(=O)[O-])=CC=C21	REAL300007087497	0	51	0.0	-82.41	367.97	8.76	-73.65
CN1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2=CC(C(=O)[O-])=CC=C21	REAL300007087497	1	51	0.0	-81.11	367.38	8.66	-72.45
CN1CCN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087499	0	52	0.0	-85.47	396.77	10.62	-74.85
CN1CCN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087499	1	52	0.0	-85.15	397.29	10.63	-74.52
COCCOCC[N@H+](C)CCC(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21	REAL300007087500	0	56	0.0	-85.40	426.60	6.88	-78.52
COCCOCC[N@@H+](C)CCC(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21	REAL300007087500	1	56	0.0	-86.78	426.69	6.87	-79.91
CC[C@@H](C(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21)[NH+](C)C	REAL300007087503	0	45	0.0	-82.84	328.08	7.24	-75.60
CCCCCC[N@H+](C)CC(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21	REAL300007087516	0	54	0.0	-83.92	401.88	9.95	-73.97
CCCCCC[N@@H+](C)CC(=O)N1CCN(C)C2=CC=C(C(=O)[O-])C=C21	REAL300007087516	1	54	0.0	-84.09	401.36	9.94	-74.15
CN1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087530	1	41	0.0	-95.58	324.50	9.31	-86.27
CN1CCN(C(=O)C[N@H+](C)C2CCSC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087540	0	47	0.0	-89.56	356.97	8.43	-81.13
CN1CCN(C(=O)C[N@@H+](C)C2CCSC2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087540	1	47	0.0	-86.50	357.50	8.44	-78.06
CC(C)[NH+]1CCN(CCC(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)CC1	REAL300007087553	0	57	0.0	-87.60	413.22	7.42	-80.18
CC(C)N1CC[NH+](CCC(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)CC1	REAL300007087553	1	57	0.0	-85.83	410.35	7.22	-78.61
CC(C)[NH+]1CCN(CCCC(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)CC1	REAL300007087554	0	60	0.0	-83.81	435.35	8.23	-75.58
CC(C)N1CC[NH+](CCCC(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)CC1	REAL300007087554	1	60	0.0	-87.59	431.21	8.03	-79.56
CN1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C2=CC(C(=O)[O-])=CC=C21	REAL300007087555	0	50	0.0	-81.44	354.95	8.68	-72.76
CN1CCN(C(=O)C2CCCC3CCC[N@H+]32)C2=CC(C(=O)[O-])=CC=C21	REAL300007087555	1	50	0.0	-79.55	351.06	8.36	-71.19
CN1CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087557	0	49	0.0	-93.37	377.77	7.34	-86.03
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C[NH+](C)C[C@@H](NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300007089501	0	49	0.0	-69.76	385.17	11.23	-58.53
CC1=CC(C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)=CC(C)=C1OCC(=O)[O-]	REAL300007089502	0	53	0.0	-71.78	422.22	11.20	-60.58
C[NH+](C)C[C@@H](NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007089503	0	46	0.0	-68.83	369.26	10.32	-58.51
C[NH+](C)C[C@@H](NC(=O)C1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300007089504	0	49	0.0	-71.36	369.96	9.87	-61.49
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300007089505	0	42	0.0	-70.69	343.02	7.59	-63.10
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300007089506	0	42	0.0	-61.20	344.23	7.59	-53.61
C[NH+](C)C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=CC=CC=C1	REAL300007089507	0	48	0.0	-65.49	356.39	8.78	-56.71
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=CC=CC=C1	REAL300007089508	0	43	0.0	-73.28	353.66	10.03	-63.25
C[NH+](C)C[C@@H](NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300007089509	0	41	0.0	-64.03	339.91	5.74	-58.29
C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CC=C1	REAL300007089510	0	49	0.0	-67.99	371.40	9.52	-58.47
C[NH+](C)C[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300007089511	0	49	0.0	-68.93	373.16	9.59	-59.34
C[NH+](C)C[C@@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300007089512	0	46	0.0	-77.14	371.48	9.99	-67.15
C[NH+](C)C[C@@H](NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=CC=CC=C1	REAL300007089513	0	42	0.0	-77.74	349.05	6.01	-71.73
CC1=NC(C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007089514	0	45	0.0	-61.23	360.63	8.12	-53.11
C[NH+](C)C[C@@H](NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007089515	0	43	0.0	-71.96	368.70	10.57	-61.39
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300007089516	0	43	0.0	-69.12	344.59	9.66	-59.46
C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300007089517	0	46	0.0	-78.57	357.70	9.52	-69.05
C[NH+](C)C[C@@H](NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC=C1	REAL300007089518	0	46	0.0	-69.58	369.60	10.74	-58.84
C[NH+](C)C[C@@H](NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=CC=CC=C1	REAL300007089519	0	43	0.0	-62.77	349.38	8.25	-54.52
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1	REAL300007089520	0	46	0.0	-52.85	375.81	8.85	-44.00
C[NH+](C)C[C@@H](NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC=C1	REAL300007089521	0	42	0.0	-67.36	346.73	8.25	-59.11
C[NH+](C)C[C@@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300007089522	0	52	0.0	-63.48	383.57	10.03	-53.45
C[NH+](C)C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=CC=CC=C1	REAL300007089523	0	48	0.0	-65.49	356.39	8.78	-56.71
C[NH+](C)C[C@@H](NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=CC=CC=C1	REAL300007089524	0	45	0.0	-75.67	368.80	8.65	-67.02
C[NH+](C)C[C@@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=CC=CC=C1	REAL300007089525	0	50	0.0	-70.50	401.30	10.66	-59.84
C[NH+](C)C[C@@H](NC(=O)C1=NOC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007089526	0	39	0.0	-58.17	327.61	6.90	-51.27
C[NH+](C)C[C@@H](NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=CC=CC=C1	REAL300007089527	0	56	0.0	-65.85	425.52	12.84	-53.01
CC1=C(C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300007089528	0	43	0.0	-64.46	349.97	8.45	-56.01
CC1=C(C(=O)[O-])OC(C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)=C1	REAL300007089529	0	43	0.0	-57.55	348.95	8.63	-48.92
C[NH+](C)C[C@@H](NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300007089530	0	43	0.0	-79.22	354.14	8.13	-71.09
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=CC=CC=C1	REAL300007089531	0	44	0.0	-65.52	366.45	8.92	-56.60
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300007089532	0	47	0.0	-69.26	378.13	9.66	-59.60
C[NH+](C)C[C@@H](NC(=O)CCSCC(=O)[O-])C1=CC=CC=C1	REAL300007089533	0	43	0.0	-65.93	357.06	8.54	-57.39
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300007089534	0	42	0.0	-61.20	344.23	7.59	-53.61
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1	REAL300007089535	0	43	0.0	-79.32	346.37	7.86	-71.46
C[C@@H]1C[C@H](C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)O[C@H]1C(=O)[O-]	REAL300007089536	0	47	0.0	-69.40	369.19	8.82	-60.58
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300007089537	0	46	0.0	-64.51	369.02	10.09	-54.42
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300007089538	0	47	0.0	-74.59	379.49	11.26	-63.33
C[NH+](C)C[C@@H](NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=CC=CC=C1	REAL300007089539	0	44	0.0	-69.42	363.66	9.11	-60.31
C[NH+](C)C[C@@H](NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=CC=CC=C1	REAL300007089540	0	46	0.0	-71.48	379.59	5.05	-66.43
C[NH+](C)C[C@@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300007089541	0	44	0.0	-68.30	367.98	9.79	-58.51
C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300007089542	0	46	0.0	-78.57	357.70	9.52	-69.05
CC1=CC=C(C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007089543	0	46	0.0	-72.86	362.47	9.84	-63.02
C[NH+](C)C[C@@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007089544	0	42	0.0	-67.96	342.30	7.56	-60.40
CC1=NC=C(C(=O)[O-])C=C1C(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1	REAL300007089545	0	45	0.0	-58.69	357.55	8.78	-49.91
C[NH+](C)C[C@@H](NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300007089546	0	43	0.0	-88.78	350.66	7.83	-80.95
C[NH+](C)C[C@@H](NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300007089547	0	49	0.0	-88.74	394.27	9.20	-79.54
C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=CC=CC=C1	REAL300007089548	0	50	0.0	-72.84	388.12	9.54	-63.30
C[NH+](C)C[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=CC=CC=C1	REAL300007089549	0	50	0.0	-67.48	389.54	8.12	-59.36
CC1=C(C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)OC(C(=O)[O-])=C1	REAL300007089550	0	43	0.0	-57.81	348.84	8.74	-49.07
C[NH+](C)C[C@@H](NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300007089551	0	51	0.0	-55.78	373.67	10.64	-45.14
C[NH+](C)C[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300007089552	0	49	0.0	-58.05	362.24	10.66	-47.39
C[NH+](C)C[C@@H](NC(=O)CN1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300007089553	1	51	0.0	-69.74	384.50	7.72	-62.02
C[NH+](C)C[C@@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=CC=CC=C1	REAL300007089554	0	50	0.0	-70.50	401.30	10.66	-59.84
C[NH+](C)C[C@@H](NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=CC=CC=C1	REAL300007089555	0	50	0.0	-86.56	405.25	11.48	-75.08
C[NH+](C)C[C@@H](NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=CC=CC=C1	REAL300007089556	0	47	0.0	-63.18	369.62	9.70	-53.48
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1	REAL300007089557	0	49	0.0	-64.40	376.89	10.46	-53.94
CC1=CC=C(C(=O)[O-])C=C1C(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1	REAL300007089558	0	46	0.0	-58.99	356.93	10.22	-48.77
C[NH+](C)C[C@@H](NC(=O)C1CC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300007089559	0	46	0.0	-74.54	353.36	8.79	-65.75
C[NH+](C)C[C@@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=CC=CC=C1	REAL300007089560	0	40	0.0	-76.89	333.15	6.37	-70.52
CC1=C(C(=O)[O-])C=NC=C1C(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1	REAL300007089561	0	45	0.0	-63.76	346.52	8.29	-55.47
CC1=CC(C(=O)[O-])=CC=C1C(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1	REAL300007089562	0	46	0.0	-70.70	362.48	9.95	-60.75
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=CC=CC=C1	REAL300007089563	0	43	0.0	-72.21	361.61	10.46	-61.75
C[NH+](C)C[C@@H](NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300007089564	0	50	0.0	-76.30	390.21	10.80	-65.50
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)=C1	REAL300007089565	0	46	0.0	-54.59	372.44	7.26	-47.33
CN1C(C(=O)[O-])=CC=C1C(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1	REAL300007089566	0	44	0.0	-63.61	347.11	8.80	-54.81
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300007089567	0	49	0.0	-68.01	388.18	11.23	-56.78
C[NH+](C)C[C@@H](NC(=O)CC1(CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300007089568	0	46	0.0	-61.16	358.10	9.07	-52.09
C[NH+](C)C[C@@H](NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=CC=CC=C1	REAL300007089569	0	47	0.0	-67.98	381.31	9.86	-58.12
C[NH+](C)C[C@@H](NC(=O)C1=CSC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300007089570	0	39	0.0	-53.92	334.26	6.80	-47.12
CC1=C(C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300007089571	0	43	0.0	-61.75	358.55	9.81	-51.94
C[NH+](C)C[C@@H](NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=CC=CC=C1	REAL300007089572	0	43	0.0	-74.50	379.09	10.53	-63.97
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)=C1	REAL300007089573	0	47	0.0	-67.68	382.31	9.33	-58.35
C[NH+](C)C[C@@H](NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=CC=CC=C1	REAL300007089574	0	46	0.0	-71.54	382.00	10.59	-60.95
C[NH+](C)C[C@@H](NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=CC=CC=C1	REAL300007089575	0	48	0.0	-75.00	380.39	9.41	-65.59
C[NH+](C)C[C@@H](NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300007089576	0	47	0.0	-74.83	379.03	10.84	-63.99
C[NH+](C)C[C@@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=CC=CC=C1	REAL300007089577	0	44	0.0	-63.60	372.01	8.33	-55.27
C[NH+](C)C[C@@H](NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=CC=CC=C1	REAL300007089578	0	44	0.0	-72.45	372.29	8.49	-63.96
C[NH+](C)C[C@@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=CC=CC=C1	REAL300007089579	0	44	0.0	-65.27	365.81	8.10	-57.17
CC1=C(C(=O)[O-])C=CC=C1C(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1	REAL300007089580	0	46	0.0	-68.68	350.99	10.09	-58.59
C[NH+](C)C[C@@H](NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300007089581	0	46	0.0	-75.76	377.11	8.73	-67.03
C[NH+](C)C[C@@H](NC(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300007089582	0	40	0.0	-75.24	342.49	8.97	-66.27
C[NH+](C)C[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300007089583	0	48	0.0	-61.28	366.75	7.66	-53.62
C[NH+](C)C[C@@H](NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=CC=CC=C1	REAL300007089584	0	49	0.0	-75.87	377.30	11.65	-64.22
CC(C)[C@]1(C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007089585	0	49	0.0	-64.50	373.96	9.43	-55.07
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1	REAL300007089586	0	49	0.0	-83.55	386.12	10.81	-72.74
C[NH+](C)C[C@@H](NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300007089587	0	43	0.0	-75.04	363.61	9.80	-65.24
C[NH+](C)C[C@@H](NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300007089588	0	46	0.0	-79.87	376.45	10.05	-69.82
C[NH+](C)C[C@@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300007089589	0	46	0.0	-67.40	355.88	9.48	-57.92
C[NH+](C)C[C@@H](NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300007089590	0	50	0.0	-66.24	398.27	11.50	-54.74
C[C@@H]1C[N@@H+](CCNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C[C@H](C)O1	REAL300007089598	1	50	0.0	-82.18	388.09	7.94	-74.24
C[C@@H]1C[N@H+](CCNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C[C@H](C)O1	REAL300007089598	1	50	0.0	-82.10	394.37	7.91	-74.19
C[C@@H]1C[N@@H+](CCNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C[C@H](C)O1	REAL300007089600	1	48	0.0	-82.25	376.54	7.64	-74.61
C[C@@H]1C[N@H+](CCNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C[C@H](C)O1	REAL300007089600	1	48	0.0	-82.16	382.82	7.61	-74.55
C[C@@H]1C[N@@H+](CCNC(=O)CCC2=CC=CC=C2C(=O)[O-])C[C@H](C)O1	REAL300007089606	1	50	0.0	-70.13	379.43	7.71	-62.42
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CC(C(=O)N1CCC(CC(=O)[O-])C1(C)C)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300007092759	1	58	0.0	-67.91	421.58	9.94	-57.97
CC1(C)C(CC(=O)[O-])CCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007092780	0	56	0.0	-71.11	412.38	11.97	-59.14
CC1(C)C(CC(=O)[O-])CCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007092780	1	56	0.0	-71.04	412.06	11.98	-59.06
C[NH+](C)CCN1C=CC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)=N1	REAL300007092793	0	49	0.0	-75.78	369.28	8.48	-67.30
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(CC(=O)[O-])C1(C)C	REAL300007092794	0	49	0.0	-62.64	362.19	7.94	-54.70
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(CC(=O)[O-])C1(C)C	REAL300007092795	1	50	0.0	-60.75	373.93	9.98	-50.77
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)=NN1	REAL300007092799	1	50	0.0	-73.37	370.38	8.01	-65.36
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)=NN1	REAL300007092799	1	50	0.0	-72.01	365.64	7.54	-64.47
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300007092808	0	56	0.0	-68.94	405.98	12.08	-56.86
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300007092808	1	56	0.0	-66.12	404.50	11.89	-54.23
CC(C[NH+]1CCOCC1)C(=O)N1CCC(CC(=O)[O-])C1(C)C	REAL300007092812	1	50	0.0	-67.89	354.92	7.20	-60.69
CC1(C)C(CC(=O)[O-])CCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300007092813	0	57	0.0	-71.79	418.57	9.54	-62.25
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007092857	0	56	0.0	-65.83	390.95	10.56	-55.27
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007092857	1	56	0.0	-65.49	388.94	10.42	-55.07
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300007092873	0	50	0.0	-59.66	348.02	9.17	-50.49
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300007092873	1	50	0.0	-58.23	351.78	9.52	-48.71
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(CC(=O)[O-])C3(C)C)=C2)CC1	REAL300007092887	0	58	0.0	-70.57	419.89	9.21	-61.36
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(CC(=O)[O-])C3(C)C)C=C2)CC1	REAL300007092888	0	58	0.0	-71.81	420.99	9.26	-62.55
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(CC(=O)[O-])C3(C)C)C=C2)CC1	REAL300007092888	1	58	0.0	-74.03	420.40	9.13	-64.90
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C=C1	REAL300007092889	0	59	0.0	-70.68	422.69	10.66	-60.02
CC(C)[NH+]1CCC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)CC1	REAL300007092896	0	52	0.0	-67.06	362.09	9.33	-57.73
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007092985	0	60	0.0	-75.84	435.62	8.99	-66.85
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)=C1	REAL300007092989	0	49	0.0	-70.15	362.28	9.81	-60.34
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007092990	0	56	0.0	-66.24	404.28	11.67	-54.57
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007092990	1	56	0.0	-67.08	408.18	11.80	-55.28
C#CC[NH+]1CCC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)CC1	REAL300007093037	0	48	0.0	-70.64	352.45	9.29	-61.35
CC[NH+]1CCN(CCC(=O)N2CCC(CC(=O)[O-])C2(C)C)CC1	REAL300007093040	0	54	0.0	-68.18	385.43	7.29	-60.89
CCN1CC[NH+](CCC(=O)N2CCC(CC(=O)[O-])C2(C)C)CC1	REAL300007093040	1	54	0.0	-67.81	386.62	7.44	-60.37
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(CC(=O)[O-])C1(C)C	REAL300007093047	1	50	0.0	-60.37	373.40	9.94	-50.43
CC(C(=O)N1CCC(CC(=O)[O-])C1(C)C)[NH+]1CCCCCC1	REAL300007093075	0	52	0.0	-59.99	356.61	9.14	-50.85
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(CC(=O)[O-])C3(C)C)=CC=C1N2	REAL300007093106	1	54	0.0	-74.75	397.47	10.22	-64.53
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(CC(=O)[O-])C3(C)C)=CC=C1N2	REAL300007093106	1	54	0.0	-74.46	397.68	10.20	-64.26
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C2(C)C)O1	REAL300007093150	0	52	0.0	-67.82	384.96	9.97	-57.85
CC1(C)C(CC(=O)[O-])CCN1C(=O)CCCC[NH+]1CCCC1	REAL300007093151	0	52	0.0	-67.41	378.91	10.08	-57.33
CC1=CC=C(N2CCC(C(=O)N3CCC(CC(=O)[O-])C3(C)C)CC2)[NH+]=C1	REAL300007093153	1	55	0.0	-65.05	401.12	9.68	-55.37
C[N@H+](CC(=O)N1CCC(CC(=O)[O-])C1(C)C)CC1=CC=CC=C1	REAL300007093154	1	49	0.0	-68.33	364.64	10.35	-57.98
C[N@@H+](CC(=O)N1CCC(CC(=O)[O-])C1(C)C)CC1=CC=CC=C1	REAL300007093154	1	49	0.0	-68.31	364.73	10.34	-57.97
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(CC(=O)[O-])C3(C)C)C=C2)CC1	REAL300007093158	0	61	0.0	-72.18	430.36	10.19	-61.99
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007093170	1	44	0.0	-73.79	341.80	7.80	-65.99
C[NH+](C)CC1=CC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)=NO1	REAL300007093192	1	45	0.0	-74.82	342.68	7.95	-66.87
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC(=O)[O-])C1(C)C	REAL300007093197	0	56	0.0	-69.80	409.02	11.63	-58.17
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC(=O)[O-])C1(C)C	REAL300007093197	1	56	0.0	-71.16	410.77	11.68	-59.48
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(CC(=O)[O-])C2(C)C)C=C1	REAL300007093220	0	57	0.0	-73.04	429.11	11.22	-61.82
C[NH+]1CCC(OCC(=O)N2CCC(CC(=O)[O-])C2(C)C)CC1	REAL300007093232	0	50	0.0	-71.94	367.53	8.80	-63.14
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007093238	0	53	0.0	-69.43	389.70	10.39	-59.04
CCC[N@@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C1	REAL300007093376	0	52	0.0	-59.63	361.68	9.86	-49.77
CCC[N@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C1	REAL300007093376	1	52	0.0	-66.04	370.93	9.63	-56.41
CC1(C)C(CC(=O)[O-])CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300007093405	0	50	0.0	-65.73	361.41	5.91	-59.82
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C1	REAL300007093575	0	52	0.0	-62.08	356.49	9.26	-52.82
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C1	REAL300007093575	1	52	0.0	-63.82	362.54	9.28	-54.54
C[N@@H+]1CC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C(C(F)(F)F)C1	REAL300007093576	0	46	0.0	-69.63	346.90	8.32	-61.31
C[N@H+]1CC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C(C(F)(F)F)C1	REAL300007093576	1	46	0.0	-67.96	351.19	8.40	-59.56
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(CC(=O)[O-])C2(C)C)N1	REAL300007093599	1	47	0.0	-60.85	357.81	8.05	-52.80
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)=C1	REAL300007093981	0	52	0.0	-71.46	384.77	10.66	-60.80
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C=C1	REAL300007093988	0	53	0.0	-72.62	391.24	9.60	-63.02
CC1(C)C(CC(=O)[O-])CCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007094071	0	59	0.0	-69.55	427.68	12.73	-56.82
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(CC(=O)[O-])C3(C)C)C=C2)CCO1	REAL300007094073	1	57	0.0	-75.09	409.26	9.99	-65.10
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(CC(=O)[O-])C3(C)C)C=C2)CCO1	REAL300007094073	1	57	0.0	-75.69	409.77	10.00	-65.69
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CC(=O)[O-])C2(C)C)CC1	REAL300007094099	0	52	0.0	-62.59	356.69	9.24	-53.35
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(CC(=O)[O-])C3(C)C)=CN21	REAL300007094104	0	44	0.0	-62.59	335.72	9.60	-52.99
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C1	REAL300007094152	0	55	0.0	-60.75	375.51	10.32	-50.43
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C1	REAL300007094152	1	55	0.0	-60.79	378.59	10.36	-50.43
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C2(C)C)O1	REAL300007094158	1	46	0.0	-71.05	349.15	8.61	-62.44
CC1(C)C(CC(=O)[O-])CCN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300007094166	0	48	0.0	-59.90	343.04	9.27	-50.63
CC1(C)C(CC(=O)[O-])CCN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300007094166	1	48	0.0	-59.68	344.54	9.35	-50.33
CC1C2=CC=CN=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007094219	0	46	0.0	-50.67	347.13	8.55	-42.12
CC1C2=CC=CN=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007094219	1	46	0.0	-47.20	338.88	8.10	-39.10
O=C([O-])C(F)(F)CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007095469	0	43	0.0	-68.34	349.31	8.15	-60.19
O=C([O-])C(F)(F)CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300007096224	1	40	0.0	-57.32	333.79	7.65	-49.67
O=C([O-])C(F)(F)CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300007096224	1	40	0.0	-54.27	326.41	7.08	-47.19
O=C([O-])C(F)(F)CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300007096953	0	43	0.0	-58.25	344.31	7.65	-50.60
CC1=NC(C[NH+]2CCC(C(=O)NCC(F)(F)C(=O)[O-])CC2)=CS1	REAL300007097007	1	42	0.0	-67.31	357.03	5.96	-61.35
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(F)(F)C(=O)[O-])C=C1	REAL300007097060	0	46	0.0	-68.31	382.74	7.72	-60.59
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(F)(F)C(=O)[O-])=C1	REAL300007097069	0	46	0.0	-71.38	383.54	10.04	-61.34
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(F)(F)C(=O)[O-])=C1	REAL300007097069	1	46	0.0	-70.68	383.26	10.05	-60.63
CC1(C(=O)NCC(F)(F)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300007097070	0	46	0.0	-59.22	362.42	8.61	-50.61
O=C([O-])C(F)(F)CNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300007097106	0	43	0.0	-60.22	365.52	8.48	-51.74
O=C([O-])C(F)(F)CNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007097106	1	43	0.0	-59.35	364.23	8.34	-51.01
O=C([O-])C(F)(F)CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007097194	0	36	0.0	-68.26	317.65	5.59	-62.67
C[NH+](C)CCN1N=CC(C(=O)NCC(F)(F)C(=O)[O-])=C1C1=CC=CC=C1	REAL300007097199	0	46	0.0	-71.47	381.97	7.71	-63.76
O=C([O-])C(F)(F)CNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300007097223	0	43	0.0	-52.37	325.55	6.73	-45.64
O=C([O-])C(F)(F)CNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300007097223	1	43	0.0	-52.39	326.22	6.77	-45.62
O=C([O-])C(F)(F)CNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007097224	0	44	0.0	-68.15	340.21	5.24	-62.91
CC[N@H+](CC1=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C1)C(C)C	REAL300007097242	0	45	0.0	-69.73	347.80	7.91	-61.82
CC[N@@H+](CC1=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C1)C(C)C	REAL300007097242	1	45	0.0	-67.60	345.99	7.64	-59.96
O=C([O-])C(F)(F)CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007097262	0	40	0.0	-61.99	334.19	7.51	-54.48
O=C([O-])C(F)(F)CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007097262	1	40	0.0	-62.38	331.68	7.36	-55.02
O=C([O-])C(F)(F)CNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007097263	0	41	0.0	-69.67	328.31	6.60	-63.07
C[NH+]1CCN(C(C(=O)NCC(F)(F)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300007097283	1	45	0.0	-61.45	362.09	6.26	-55.19
O=C([O-])C(F)(F)CNC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007097284	0	44	0.0	-62.83	325.81	4.86	-57.97
CC(C(=O)NCC(F)(F)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300007097286	0	39	0.0	-57.75	323.45	6.96	-50.79
CC(C(=O)NCC(F)(F)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300007097286	1	39	0.0	-58.56	323.45	6.93	-51.63
O=C([O-])C(F)(F)CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300007097293	0	46	0.0	-57.63	366.08	9.22	-48.41
O=C([O-])C(F)(F)CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300007097293	1	46	0.0	-65.49	372.12	9.03	-56.46
CC[N@H+](C)C(C(=O)NCC(F)(F)C(=O)[O-])C1=CC=CC=C1	REAL300007097331	0	39	0.0	-55.69	315.84	6.91	-48.78
CC[N@@H+](C)C(C(=O)NCC(F)(F)C(=O)[O-])C1=CC=CC=C1	REAL300007097331	1	39	0.0	-53.60	321.75	7.06	-46.54
CC[NH+](CC)C(C(=O)NCC(F)(F)C(=O)[O-])C1=CC=CC=C1	REAL300007097336	0	42	0.0	-54.02	330.17	7.24	-46.78
C[NH+](C)C(C(=O)NCC(F)(F)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007097338	1	36	0.0	-58.23	319.95	6.97	-51.26
O=C([O-])C(F)(F)CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007097352	0	40	0.0	-70.56	330.58	7.54	-63.02
O=C([O-])C(F)(F)CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007097358	0	43	0.0	-66.08	348.21	8.31	-57.77
CCN1CCC([NH+]2CCC(C(=O)NCC(F)(F)C(=O)[O-])CC2)CC1	REAL300007097364	0	51	0.0	-65.31	383.36	5.91	-59.40
CC1C[NH+](CC2=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C2)CC(C)O1	REAL300007097370	1	47	0.0	-73.85	381.49	7.34	-66.51
O=C([O-])C(F)(F)CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007097381	1	44	0.0	-72.30	356.23	7.44	-64.86
O=C([O-])C(F)(F)CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007097381	1	44	0.0	-70.84	363.01	7.49	-63.35
O=C([O-])C(F)(F)CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300007097396	1	43	0.0	-54.38	347.36	8.10	-46.28
O=C([O-])C(F)(F)CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300007097396	1	43	0.0	-55.76	337.88	7.96	-47.80
CC1=C(C(=O)NCC(F)(F)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007097398	1	34	0.0	-71.34	302.85	4.81	-66.53
O=C([O-])C(F)(F)CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007097405	0	43	0.0	-71.10	347.90	8.27	-62.83
O=C([O-])C(F)(F)CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007097415	1	36	0.0	-70.19	312.08	5.05	-65.14
C[NH+](C)CCC1=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C1	REAL300007097416	0	39	0.0	-73.47	329.14	7.30	-66.17
O=C([O-])C(F)(F)CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007097422	1	41	0.0	-62.24	335.64	6.84	-55.40
O=C([O-])C(F)(F)CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007097422	1	41	0.0	-67.11	342.81	6.99	-60.12
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC(F)(F)C(=O)[O-]	REAL300007097426	0	50	0.0	-58.71	392.87	9.80	-48.91
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC(F)(F)C(=O)[O-]	REAL300007097426	1	50	0.0	-57.43	388.97	9.83	-47.60
CC(C(=O)NCC(F)(F)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007097434	0	49	0.0	-56.64	386.94	9.42	-47.22
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(F)(F)C(=O)[O-]	REAL300007097462	0	39	0.0	-61.90	327.63	7.40	-54.50
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(F)(F)C(=O)[O-]	REAL300007097462	1	39	0.0	-61.95	327.63	7.40	-54.55
COCCOCC[N@H+](C)CCC(=O)NCC(F)(F)C(=O)[O-]	REAL300007097463	0	43	0.0	-62.52	356.81	3.57	-58.95
COCCOCC[N@@H+](C)CCC(=O)NCC(F)(F)C(=O)[O-]	REAL300007097463	1	43	0.0	-63.61	356.67	3.59	-60.02
O=C([O-])C(F)(F)CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007097472	0	48	0.0	-68.26	382.98	7.10	-61.16
CC(C)[NH+]1CCN(CCC(=O)NCC(F)(F)C(=O)[O-])CC1	REAL300007097498	0	44	0.0	-62.45	344.03	4.13	-58.32
CC(C)N1CC[NH+](CCC(=O)NCC(F)(F)C(=O)[O-])CC1	REAL300007097498	1	44	0.0	-62.21	340.34	3.93	-58.28
CC(C)[NH+]1CCN(CCCC(=O)NCC(F)(F)C(=O)[O-])CC1	REAL300007097499	0	47	0.0	-61.95	365.53	4.94	-57.01
CC(C)N1CC[NH+](CCCC(=O)NCC(F)(F)C(=O)[O-])CC1	REAL300007097499	1	47	0.0	-64.11	361.84	4.73	-59.38
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(F)(F)C(=O)[O-])CC2)=C1	REAL300007097504	0	48	0.0	-66.38	382.70	6.97	-59.41
O=C([O-])C(F)(F)CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007097505	0	45	0.0	-66.49	361.48	6.30	-60.19
O=C([O-])C(F)(F)CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300007097508	0	42	0.0	-65.25	344.75	6.39	-58.86
O=C([O-])C(F)(F)CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300007097508	1	42	0.0	-61.29	338.39	6.50	-54.79
O=C([O-])C(F)(F)CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007097534	0	43	0.0	-66.91	351.75	8.10	-58.81
O=C([O-])C(F)(F)CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007097534	1	43	0.0	-67.46	353.31	8.19	-59.27
O=C([O-])C(F)(F)CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300007097557	0	43	0.0	-64.50	349.93	8.42	-56.08
O=C([O-])C(F)(F)CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300007097557	1	43	0.0	-60.51	349.74	8.43	-52.08
O=C([O-])C(F)(F)CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300007097560	0	44	0.0	-66.16	359.02	5.72	-60.44
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC(F)(F)C(=O)[O-])CC1	REAL300007097586	1	43	0.0	-72.33	346.20	6.40	-65.93
O=C([O-])C(F)(F)CNC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007097587	0	43	0.0	-60.77	334.68	6.88	-53.89
O=C([O-])C(F)(F)CNC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007097587	1	43	0.0	-60.40	333.14	6.86	-53.54
O=C([O-])C(F)(F)CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300007097602	0	48	0.0	-68.36	382.15	7.02	-61.34
O=C([O-])C(F)(F)CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300007097602	1	48	0.0	-63.69	381.06	7.09	-56.60
CC(C)[N@@H+]1CCC(C(=O)NCC(F)(F)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300007097607	0	49	0.0	-66.16	376.57	6.62	-59.54
CC(C)[N@H+]1CCC(C(=O)NCC(F)(F)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300007097607	1	49	0.0	-68.56	386.92	6.98	-61.58
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC(F)(F)C(=O)[O-])C=N1	REAL300007097608	0	43	0.0	-68.06	336.59	5.11	-62.95
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC(F)(F)C(=O)[O-])C=N1	REAL300007097608	1	43	0.0	-72.88	344.88	5.35	-67.53
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC(F)(F)C(=O)[O-])=C2)CC1	REAL300007097612	0	45	0.0	-64.53	365.33	5.88	-58.65
C[NH+]1CCN(CC2=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C2)CC1	REAL300007097613	0	45	0.0	-68.38	364.39	5.70	-62.68
CN1CC[NH+](CC2=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C2)CC1	REAL300007097613	1	45	0.0	-71.89	364.90	5.76	-66.13
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C1	REAL300007097614	0	46	0.0	-68.44	367.82	7.31	-61.13
O=C([O-])C(F)(F)CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007097669	0	47	0.0	-73.64	379.88	5.62	-68.02
O=C([O-])C(F)(F)CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007097671	0	43	0.0	-58.72	343.39	8.36	-50.36
O=C([O-])C(F)(F)CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007097671	1	43	0.0	-61.18	349.57	8.16	-53.02
O=C([O-])C(F)(F)CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300007097722	0	41	0.0	-59.52	341.87	4.38	-55.14
O=C([O-])C(F)(F)CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007097722	1	41	0.0	-59.35	341.70	4.38	-54.97
C[NH+](C)CC1=C(C(=O)NCC(F)(F)C(=O)[O-])OC2=CC=CC=C21	REAL300007097726	0	39	0.0	-56.26	334.00	6.80	-49.46
CC[NH+](CC)C(C(=O)NCC(F)(F)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300007097728	0	45	0.0	-57.77	365.91	8.30	-49.47
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(F)(F)C(=O)[O-])=CC=C1N2	REAL300007097771	1	41	0.0	-72.22	341.62	6.89	-65.33
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(F)(F)C(=O)[O-])=CC=C1N2	REAL300007097771	1	41	0.0	-72.26	341.46	6.89	-65.37
CC[NH+](CC)CC1=CC=C(C(=O)NCC(F)(F)C(=O)[O-])O1	REAL300007097818	0	39	0.0	-64.96	328.54	6.14	-58.82
CC1=CC=C(N2CCC(C(=O)NCC(F)(F)C(=O)[O-])CC2)[NH+]=C1	REAL300007097820	1	42	0.0	-61.48	342.51	6.05	-55.43
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C2)CC1	REAL300007097823	0	48	0.0	-70.34	374.66	6.82	-63.52
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(F)(F)C(=O)[O-]	REAL300007097860	0	43	0.0	-64.96	350.00	7.97	-56.99
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(F)(F)C(=O)[O-]	REAL300007097860	1	43	0.0	-65.04	350.49	8.01	-57.03
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(F)(F)C(=O)[O-])C=C1	REAL300007097874	0	44	0.0	-70.89	370.99	7.43	-63.46
O=C([O-])C(F)(F)CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007097887	0	40	0.0	-67.16	334.65	6.65	-60.51
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC(F)(F)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300007097912	0	42	0.0	-62.30	342.45	6.19	-56.11
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(F)(F)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300007097912	1	42	0.0	-57.46	341.54	6.23	-51.23
O=C([O-])C(F)(F)CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300007098090	0	44	0.0	-63.49	358.20	8.46	-55.03
O=C([O-])C(F)(F)CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300007098090	1	44	0.0	-67.16	359.24	8.39	-58.77
C[N@@H+]1CC(C(=O)NCC(F)(F)C(=O)[O-])C(C(F)(F)F)C1	REAL300007098176	0	33	0.0	-68.16	292.96	4.68	-63.48
C[N@H+]1CC(C(=O)NCC(F)(F)C(=O)[O-])C(C(F)(F)F)C1	REAL300007098176	1	33	0.0	-68.92	284.79	4.80	-64.12
C[NH+](C)CCC1=CC=CC(C(=O)NCC(F)(F)C(=O)[O-])=C1	REAL300007098499	0	39	0.0	-68.94	329.32	7.29	-61.65
C[NH+](C)CCOC1=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C1	REAL300007098503	0	40	0.0	-70.55	336.62	6.25	-64.30
O=C([O-])C(F)(F)CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007098561	0	46	0.0	-62.75	368.38	8.89	-53.86
CC1C[N@H+](CC2=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C2)CCO1	REAL300007098563	1	44	0.0	-73.29	354.18	6.62	-66.67
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C2)CCO1	REAL300007098563	1	44	0.0	-73.36	354.24	6.62	-66.74
CC(C)(C)CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007099698	0	55	0.0	-75.59	404.68	11.40	-64.19
CC1=[NH+]C=C2CCC(C(=O)NC(CC(C)(C)C)C(=O)[O-])CN21	REAL300007100996	1	47	0.0	-61.36	350.31	8.96	-52.40
CC1=NC(C[NH+]2CCC(C(=O)NC(CC(C)(C)C)C(=O)[O-])CC2)=CS1	REAL300007101048	1	54	0.0	-74.93	415.81	9.33	-65.60
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300007101113	0	58	0.0	-79.12	440.47	11.12	-68.00
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300007101119	0	58	0.0	-79.56	442.14	13.42	-66.14
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300007101119	1	58	0.0	-78.67	442.15	13.43	-65.24
C[NH+](C)CC1(C(=O)NC(CC(C)(C)C)C(=O)[O-])CCCCC1	REAL300007101188	0	54	0.0	-50.62	359.33	9.26	-41.36
C[N@H+](CCC(=O)NC(CC(C)(C)C)C(=O)[O-])C1CCCCC1	REAL300007101190	0	54	0.0	-66.14	385.68	9.94	-56.20
C[N@@H+](CCC(=O)NC(CC(C)(C)C)C(=O)[O-])C1CCCCC1	REAL300007101190	1	54	0.0	-65.12	384.80	9.97	-55.15
CC(C)(C)CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300007101248	0	48	0.0	-78.82	376.27	9.04	-69.78
CC(C)(C)CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300007101267	0	56	0.0	-75.82	398.12	8.66	-67.16
CC(C)(C)CC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300007101291	1	52	0.0	-73.71	385.28	7.99	-65.72
CC[N@H+](CC1=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1)C(C)C	REAL300007101292	0	57	0.0	-81.88	405.71	11.30	-70.58
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1)C(C)C	REAL300007101292	1	57	0.0	-79.48	404.58	11.00	-68.48
CC(C)(C)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007101309	0	52	0.0	-66.83	387.10	10.68	-56.15
CC(C)(C)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007101309	1	52	0.0	-66.60	389.98	10.79	-55.81
CC(C)(C)CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300007101310	0	53	0.0	-78.39	382.81	9.89	-68.50
CC(C)(C)CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300007101333	0	56	0.0	-67.80	383.83	8.22	-59.58
CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300007101336	0	51	0.0	-61.79	381.78	10.42	-51.37
CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300007101336	1	51	0.0	-57.24	379.11	10.31	-46.93
CC(C)(C)CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007101344	0	58	0.0	-71.56	430.74	12.38	-59.18
CC(C)(C)CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007101344	1	58	0.0	-57.79	424.68	12.59	-45.20
C[NH+](C)CC1=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=N1	REAL300007101361	0	47	0.0	-77.20	361.21	8.36	-68.84
CCC[NH+](CCC)CCCC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101368	0	56	0.0	-68.66	405.27	10.27	-58.39
CC(C)(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300007101386	0	52	0.0	-80.35	388.48	10.96	-69.39
CC(C)(C)CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300007101391	0	55	0.0	-73.95	406.11	11.73	-62.22
CCN1CCC([NH+]2CCC(C(=O)NC(CC(C)(C)C)C(=O)[O-])CC2)CC1	REAL300007101397	0	63	0.0	-73.22	437.86	9.19	-64.03
CC1C[NH+](CC2=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CC(C)O1	REAL300007101404	1	59	0.0	-85.41	440.27	10.73	-74.68
CC(C)(C)CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007101413	1	56	0.0	-78.92	421.55	10.88	-68.04
CC(C)(C)CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007101413	1	56	0.0	-75.62	421.60	10.88	-64.74
CC1=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007101427	1	46	0.0	-78.80	361.65	8.27	-70.53
CC(C)(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300007101430	0	55	0.0	-81.23	405.80	11.69	-69.54
CC(C)(C)CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300007101441	1	48	0.0	-77.44	370.43	8.51	-68.93
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300007101442	0	51	0.0	-86.49	387.92	10.69	-75.80
CC(C)(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007101446	1	53	0.0	-69.00	401.37	10.35	-58.65
CC(C)(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007101446	1	53	0.0	-77.72	397.04	10.25	-67.47
CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007101455	0	61	0.0	-58.21	439.36	12.72	-45.49
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101485	0	51	0.0	-62.53	386.41	10.79	-51.74
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101485	1	51	0.0	-62.49	386.39	10.79	-51.70
COCCOCC[N@H+](C)CCC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101486	0	55	0.0	-65.86	415.46	6.97	-58.89
COCCOCC[N@@H+](C)CCC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101486	1	55	0.0	-66.80	415.46	6.95	-59.85
C[N@@H+]1CCCC(O)(CC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300007101489	0	49	0.0	-67.82	354.71	6.77	-61.05
C[N@H+]1CCCC(O)(CC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300007101489	1	49	0.0	-68.48	344.72	6.59	-61.89
CC(C)(C)CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007101494	0	60	0.0	-73.22	441.56	10.49	-62.73
CCCCCC[N@H+](C)CC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101495	0	53	0.0	-60.80	390.99	10.11	-50.69
CCCCCC[N@@H+](C)CC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101495	1	53	0.0	-60.79	391.00	10.12	-50.67
C[N@H+](CC(=O)NC(CC(C)(C)C)C(=O)[O-])C1CCSC1	REAL300007101517	0	46	0.0	-63.02	347.74	8.64	-54.38
C[N@@H+](CC(=O)NC(CC(C)(C)C)C(=O)[O-])C1CCSC1	REAL300007101517	1	46	0.0	-65.17	346.62	8.56	-56.61
CC(C)[NH+]1CCN(CCC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300007101527	0	56	0.0	-68.83	401.75	7.55	-61.28
CC(C)N1CC[NH+](CCC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300007101527	1	56	0.0	-65.38	398.93	7.32	-58.06
CC(C)[NH+]1CCN(CCCC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300007101528	0	59	0.0	-69.47	424.11	8.32	-61.15
CC(C)N1CC[NH+](CCCC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300007101528	1	59	0.0	-69.66	420.42	8.10	-61.56
C[NH+](C)CCN1C=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=N1	REAL300007101530	0	48	0.0	-80.61	371.56	7.83	-72.78
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC(C)(C)C)C(=O)[O-])CC2)=C1	REAL300007101533	0	60	0.0	-69.37	441.46	10.35	-59.02
CC(C)(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007101535	0	57	0.0	-69.07	419.81	9.74	-59.33
CC(C)(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300007101538	0	54	0.0	-65.99	396.14	10.00	-55.99
CC(C)(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300007101538	1	54	0.0	-69.08	403.01	9.73	-59.35
CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007101543	1	52	0.0	-59.83	382.26	10.90	-48.93
CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007101543	1	52	0.0	-57.65	379.01	10.73	-46.92
CC(C)(C)CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007101562	0	55	0.0	-73.26	412.14	11.57	-61.69
CC(C)(C)CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007101562	1	55	0.0	-72.90	410.23	11.50	-61.40
C[NH+](C)CCN1C=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300007101573	0	48	0.0	-85.14	371.96	7.85	-77.29
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101574	0	48	0.0	-59.48	366.12	7.91	-51.57
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101575	1	49	0.0	-61.83	373.24	9.55	-52.28
CC(C)(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300007101586	0	55	0.0	-65.77	407.64	11.83	-53.94
CC(C)(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300007101586	1	55	0.0	-69.25	414.53	11.65	-57.60
CC(C[NH+]1CCOCC1)C(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101590	0	49	0.0	-66.65	358.33	7.13	-59.52
CC(C)(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300007101591	0	56	0.0	-69.85	417.79	9.09	-60.76
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300007101627	1	55	0.0	-79.20	401.39	9.65	-69.55
CC(C)(C)CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300007101628	0	55	0.0	-65.44	393.57	10.31	-55.13
CC(C)(C)CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300007101628	1	55	0.0	-66.88	388.80	10.10	-56.78
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=C2)CC1	REAL300007101653	0	57	0.0	-71.96	424.10	9.25	-62.71
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300007101654	0	57	0.0	-82.55	422.92	9.15	-73.40
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300007101654	1	57	0.0	-81.81	422.63	9.19	-72.62
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300007101655	0	58	0.0	-80.12	426.42	10.71	-69.41
CC(C)(C)CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300007101733	0	59	0.0	-85.48	438.67	9.00	-76.48
C[NH+](C)CC1=CC=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300007101737	0	48	0.0	-76.62	365.41	9.84	-66.78
CC(C)(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007101738	0	55	0.0	-65.07	407.56	11.56	-53.51
CC(C)(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007101738	1	55	0.0	-63.80	403.96	11.43	-52.37
CC[NH+]1CCN(CCC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300007101779	0	53	0.0	-74.13	384.73	6.85	-67.28
CCN1CC[NH+](CCC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300007101779	1	53	0.0	-65.92	385.87	6.99	-58.93
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101785	1	49	0.0	-60.27	372.46	9.56	-50.71
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=CC=C1N2	REAL300007101831	1	53	0.0	-81.84	400.23	10.27	-71.57
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=CC=C1N2	REAL300007101831	1	53	0.0	-81.94	400.43	10.24	-71.70
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])O1	REAL300007101871	0	51	0.0	-74.57	382.09	9.29	-65.28
CC1=CC=C(N2CCC(C(=O)NC(CC(C)(C)C)C(=O)[O-])CC2)[NH+]=C1	REAL300007101872	1	54	0.0	-70.74	397.82	9.28	-61.46
C[N@H+](CC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300007101873	1	48	0.0	-62.45	363.67	10.00	-52.45
C[N@@H+](CC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300007101873	1	48	0.0	-62.15	363.68	10.00	-52.15
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300007101876	0	60	0.0	-81.58	433.18	10.28	-71.30
CC(C)(C)CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300007101885	1	43	0.0	-77.85	346.56	7.78	-70.07
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101912	0	55	0.0	-76.21	408.65	11.19	-65.02
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300007101912	1	55	0.0	-75.28	410.16	11.35	-63.93
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300007101929	0	56	0.0	-82.26	429.77	10.80	-71.46
C[NH+]1CCC(OCC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300007101940	0	49	0.0	-77.29	367.24	8.43	-68.86
CC(C)(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300007101944	0	52	0.0	-76.40	393.43	10.03	-66.37
CC(C)(C)CC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300007102090	1	49	0.0	-60.59	361.15	5.52	-55.07
C[N@@H+]1CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])C(C(F)(F)F)C1	REAL300007102245	0	45	0.0	-67.16	351.36	8.14	-59.02
C[N@H+]1CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])C(C(F)(F)F)C1	REAL300007102245	1	45	0.0	-80.08	348.70	8.01	-72.07
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300007102586	0	51	0.0	-78.62	387.67	10.73	-67.89
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300007102591	0	52	0.0	-81.51	394.25	9.68	-71.83
CC(C)(C)CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007102663	0	58	0.0	-69.21	426.73	12.35	-56.86
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CCO1	REAL300007102665	1	56	0.0	-83.31	412.53	10.07	-73.24
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CCO1	REAL300007102665	1	56	0.0	-84.54	412.53	10.07	-74.47
CC1=[NH+]C=C2C=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=CN21	REAL300007102688	0	43	0.0	-66.16	338.85	9.63	-56.53
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300007102725	0	54	0.0	-65.42	388.43	10.04	-55.38
CC(C)C[N@H+]1CCCC(C(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300007102725	1	54	0.0	-59.70	375.16	9.99	-49.71
CC1=CC(C)=NN1C1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300007102816	0	53	0.0	-51.46	409.62	9.59	-41.87
CC1=CC(C)=NN1C1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300007102816	1	53	0.0	-54.13	415.87	9.61	-44.52
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3CO)C1	REAL300007102907	0	48	0.0	-47.74	338.60	5.35	-42.39
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3CO)C1	REAL300007102907	1	48	0.0	-45.96	337.39	4.89	-41.07
CC1CCC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007103003	0	52	0.0	-47.20	373.62	8.95	-38.25
CC1CCC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007103003	1	52	0.0	-47.64	379.83	8.97	-38.67
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(CC3CC3)C=C2)C1	REAL300007103109	0	50	0.0	-47.72	391.20	10.43	-37.29
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(CC3CC3)C=C2)C1	REAL300007103109	1	50	0.0	-46.48	384.99	10.41	-36.07
COC1=CC(F)=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007103317	1	41	0.0	-50.76	341.39	7.26	-43.50
COC1=CC(F)=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007103317	1	41	0.0	-49.91	335.93	7.27	-42.64
C[C@@H]1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C[C@@H]1C1=CC=C(O)C=C1	REAL300007103473	0	54	0.0	-47.25	383.26	7.77	-39.48
C[C@@H]1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C[C@@H]1C1=CC=C(O)C=C1	REAL300007103473	1	54	0.0	-51.46	384.08	8.24	-43.22
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NN1CC1=CC=CC=C1	REAL300007103603	1	50	0.0	-52.02	389.32	10.22	-41.80
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NN1CC1=CC=CC=C1	REAL300007103603	1	50	0.0	-50.94	387.26	10.37	-40.57
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(F)=C3)CCCCC2)C1	REAL300007103725	0	53	0.0	-49.75	389.56	11.11	-38.64
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(F)=C3)CCCCC2)C1	REAL300007103725	1	53	0.0	-52.59	383.35	11.09	-41.50
O=C([O-])COC1=CC=CC(C(=O)NCC[NH+]2CC3CC3C2)=C1	REAL300007103765	0	42	0.0	-82.28	339.85	7.64	-74.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)NCC[NH+]2CC3CC3C2)O1	REAL300007103766	0	50	0.0	-85.90	413.36	6.04	-79.86
O=C([O-])C1=C(CSC2=CC=CC=C2C(=O)NCC[NH+]2CC3CC3C2)OC=C1	REAL300007103767	0	49	0.0	-84.44	405.07	10.38	-74.06
CC(SC1=CC=CC=C1C(=O)NCC[NH+]1CC2CC2C1)C(=O)[O-]	REAL300007103768	0	45	0.0	-80.77	361.52	9.12	-71.65
CCOC1=CC(C(=O)NCC[NH+]2CC3CC3C2)=CC=C1OCC(=O)[O-]	REAL300007103769	0	49	0.0	-81.56	390.85	8.32	-73.24
O=C([O-])C1=CC=C(CCC(=O)NCC[NH+]2CC3CC3C2)C=C1	REAL300007103770	0	44	0.0	-79.51	354.84	8.86	-70.65
O=C([O-])C1=CC=C(C=CC(=O)NCC[NH+]2CC3CC3C2)C=C1	REAL300007103771	0	42	0.0	-79.69	343.29	8.57	-71.12
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NCC[NH+]2CC3CC3C2)C=C1	REAL300007103772	0	46	0.0	-78.28	387.50	3.75	-74.53
O=C([O-])C1=CC(C(=O)NCC[NH+]2CC3CC3C2)=CC([N+](=O)[O-])=C1	REAL300007103773	0	40	0.0	-62.33	336.95	8.04	-54.29
CC1=NN(C2=CC=C(C(=O)NCC[NH+]3CC4CC4C3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300007103774	0	57	0.0	-79.61	449.75	11.05	-68.56
O=C([O-])C1=CC(C(=O)NCC[NH+]2CC3CC3C2)=CC([N+](=O)[O-])=C1	REAL300007103775	0	40	0.0	-62.33	336.95	8.04	-54.29
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC[NH+]2CC3CC3C2)C=C1	REAL300007103776	0	48	0.0	-82.36	383.77	8.93	-73.43
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC[NH+]2CC3CC3C2)=C1	REAL300007103777	0	45	0.0	-76.59	366.90	8.38	-68.21
O=C([O-])C1=CC=CC=C1CCC(=O)NCC[NH+]1CC2CC2C1	REAL300007103778	0	44	0.0	-68.88	346.29	8.60	-60.28
CC1=CC(C(=O)NCC[NH+]2CC3CC3C2)=CC(C)=C1OCC(=O)[O-]	REAL300007103779	0	48	0.0	-78.44	383.88	9.20	-69.24
O=C([O-])C1=CC(Br)=CC(C(=O)NCC[NH+]2CC3CC3C2)=C1	REAL300007103780	0	38	0.0	-77.99	330.07	7.97	-70.02
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CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300007105861	0	53	0.0	-84.37	395.84	11.25	-73.12
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CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300007105951	1	54	0.0	-80.86	399.03	8.20	-72.66
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)[C@@H]1CCCC[N@@H+]1C	REAL300007105983	1	49	0.0	-79.90	353.83	9.95	-69.95
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)[C@@H]1CCCC[N@H+]1C	REAL300007105983	1	49	0.0	-78.67	358.85	10.38	-68.29
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](C)CC1	REAL300007106050	0	49	0.0	-87.12	370.98	10.04	-77.08
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300007106077	0	44	0.0	-82.20	355.93	11.85	-70.35
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300007106107	0	58	0.0	-86.47	409.07	12.00	-74.47
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300007106111	0	58	0.0	-85.47	424.89	11.98	-73.49
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300007106111	1	58	0.0	-85.45	425.03	11.98	-73.47
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@@H+]1C	REAL300007106124	0	46	0.0	-82.09	340.60	9.39	-72.70
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@H+]1C	REAL300007106124	1	46	0.0	-81.20	346.08	8.93	-72.27
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](C)CC1	REAL300007106171	0	49	0.0	-87.12	370.98	10.04	-77.08
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007106174	0	52	0.0	-89.01	408.95	11.50	-77.51
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007106185	0	60	0.0	-89.03	432.28	11.02	-78.01
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CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300007106218	1	56	0.0	-86.77	418.65	10.45	-76.32
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1)C(C)C	REAL300007106220	0	61	0.0	-87.08	446.15	13.92	-73.16
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1)C(C)C	REAL300007106220	1	61	0.0	-86.11	443.43	13.05	-73.06
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300007106223	0	46	0.0	-78.63	351.90	9.44	-69.19
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)[C@H]1CCC[N@H+]1C	REAL300007106223	1	46	0.0	-81.63	345.95	8.91	-72.72
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007106260	0	56	0.0	-84.20	429.71	12.77	-71.43
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007106260	1	56	0.0	-87.70	416.92	13.03	-74.67
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007106261	0	57	0.0	-92.97	429.73	12.26	-80.71
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007106285	0	60	0.0	-86.23	417.22	10.70	-75.53
CCC(C(=O)NC1=CC=C(C(=O)[O-])C=C1CC(C)C)[NH+](CC)CC	REAL300007106289	0	54	0.0	-75.49	384.90	11.26	-64.23
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300007106291	0	55	0.0	-84.78	412.27	12.77	-72.01
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300007106291	1	55	0.0	-84.10	412.40	12.79	-71.31
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300007106311	0	51	0.0	-86.53	400.43	10.40	-76.13
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300007106315	0	60	0.0	-84.10	442.23	13.07	-71.03
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@H+](C)CCO1	REAL300007106317	1	47	0.0	-95.56	353.04	9.06	-86.50
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@@H+](C)CCO1	REAL300007106317	1	47	0.0	-95.09	362.77	8.69	-86.40
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CN1C=C[NH+]=C1C(C)C	REAL300007106324	1	50	0.0	-77.71	386.01	11.59	-66.12
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007106339	0	56	0.0	-88.91	429.44	13.03	-75.88
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007106344	0	59	0.0	-82.35	445.49	13.68	-68.67
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1(C[NH+](C)C)CC1	REAL300007106347	0	49	0.0	-83.20	373.47	10.35	-72.85
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC[NH+](C)C	REAL300007106355	0	51	0.0	-84.86	385.74	11.00	-73.86
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CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007106379	0	59	0.0	-90.04	439.78	14.21	-75.83
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007106390	1	52	0.0	-84.52	409.15	10.42	-74.10
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300007106391	0	55	0.0	-90.36	426.64	12.70	-77.66
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007106397	1	57	0.0	-93.62	440.17	12.23	-81.39
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CCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300007106404	0	48	0.0	-84.43	359.61	10.29	-74.14
CCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300007106404	1	48	0.0	-84.49	359.61	10.29	-74.20
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@H+](C)C1CCC1	REAL300007106418	0	49	0.0	-82.00	366.50	10.84	-71.16
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@@H+](C)C1CCC1	REAL300007106418	1	49	0.0	-81.62	366.60	10.85	-70.77
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300007106445	0	54	0.0	-83.92	390.66	11.42	-72.50
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300007106445	1	54	0.0	-84.32	388.21	11.31	-73.01
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300007106447	0	55	0.0	-88.26	419.51	13.30	-74.96
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300007106447	1	55	0.0	-88.32	419.51	13.30	-75.02
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COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300007106448	1	59	0.0	-85.80	454.66	9.02	-76.78
CC[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C=C1CC(C)C)[NH+](C)C	REAL300007106451	0	48	0.0	-79.38	355.57	9.40	-69.98
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300007106453	0	53	0.0	-77.70	390.55	9.10	-68.60
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300007106453	1	53	0.0	-77.53	386.18	8.38	-69.15
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CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300007106465	1	57	0.0	-85.75	424.10	12.62	-73.13
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300007106479	1	44	0.0	-88.20	350.73	12.23	-75.97
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@H+](C)C1CCSC1	REAL300007106489	1	50	0.0	-87.53	385.89	10.65	-76.88
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@@H+](C)C1CCSC1	REAL300007106489	1	50	0.0	-88.39	386.11	10.63	-77.76
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCN1CC[NH+](C(C)C)CC1	REAL300007106504	0	60	0.0	-82.08	435.73	10.04	-72.04
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300007106504	1	60	0.0	-86.39	432.43	9.72	-76.67
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300007106505	0	63	0.0	-78.47	463.47	10.37	-68.10
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300007106505	1	63	0.0	-85.09	454.26	10.56	-74.53
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300007106506	0	53	0.0	-79.96	370.84	11.01	-68.95
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COC1=CC=C([C@H](NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)F)C=C1	REAL300007108859	1	47	0.0	-53.41	374.61	7.79	-45.62
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC3=CC=CNC3=C2)C1	REAL300007109000	0	43	0.0	-54.15	341.55	5.80	-48.35
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC3=CC=CNC3=C2)C1	REAL300007109000	1	43	0.0	-53.75	335.36	5.78	-47.97
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2CC2)C2=CC=C(Cl)C=C2)C1	REAL300007109165	0	50	0.0	-48.30	390.27	10.96	-37.34
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2CC2)C2=CC=C(Cl)C=C2)C1	REAL300007109165	1	50	0.0	-49.31	395.79	10.94	-38.37
COC1CC2(CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C1	REAL300007109247	0	48	0.0	-48.89	363.71	6.73	-42.16
COC1CC2(CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C1	REAL300007109247	1	48	0.0	-49.24	359.87	6.68	-42.56
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109279	1	45	0.0	-67.87	362.04	8.69	-59.18
CC(CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109280	1	49	0.0	-73.17	392.97	8.97	-64.20
CC(CNC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109281	1	45	0.0	-75.98	362.93	8.64	-67.34
CC(CNC(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109282	1	42	0.0	-61.98	357.22	7.81	-54.17
CC(CNC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109283	1	44	0.0	-59.31	359.78	6.94	-52.37
CC(CNC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109284	1	52	0.0	-72.05	415.76	10.44	-61.61
CC(CNC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109285	1	51	0.0	-71.96	407.96	10.19	-61.77
CC(CNC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109286	1	44	0.0	-78.33	358.13	6.92	-71.41
CC(CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109287	1	49	0.0	-71.39	397.44	9.83	-61.56
CC(CNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109288	1	47	0.0	-56.57	390.20	9.35	-47.22
CC(CNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109289	1	47	0.0	-56.57	390.20	9.35	-47.22
CC(CNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109290	1	52	0.0	-70.96	420.58	9.63	-61.33
CC(CNC(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109291	1	42	0.0	-58.64	348.48	7.08	-51.56
CC(CNC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109292	1	51	0.0	-64.44	399.56	9.91	-54.53
CC1=CC(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)=CC(C)=C1OCC(=O)[O-]	REAL300007109293	1	55	0.0	-69.76	437.14	10.52	-59.24
CC(CNC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109294	1	48	0.0	-75.12	387.60	9.31	-65.81
CC(CNC(=O)C1CCCC(C(=O)[O-])C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109295	1	51	0.0	-73.45	388.16	8.92	-64.53
CC(CNC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109296	1	44	0.0	-68.26	357.92	6.91	-61.35
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109297	1	44	0.0	-59.50	359.29	6.97	-52.53
CC(CNC(=O)CC(C)(C)CC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109298	1	50	0.0	-65.51	372.17	8.12	-57.39
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109299	1	45	0.0	-67.64	367.44	8.71	-58.93
CC(CNC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109300	1	43	0.0	-61.58	356.01	5.09	-56.49
CC(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109301	1	51	0.0	-67.12	388.18	8.92	-58.20
CC(CNC(=O)C1CCC(C(=O)[O-])CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109302	1	51	0.0	-67.31	388.16	8.92	-58.39
CC(CNC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109303	1	48	0.0	-76.78	386.71	9.37	-67.41
CC(CNC(=O)CN1C=C(C(=O)[O-])N=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109304	1	44	0.0	-78.26	363.70	5.36	-72.90
CC1=NC(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)=CC=C1C(=O)[O-]	REAL300007109305	1	47	0.0	-59.28	376.60	7.43	-51.85
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109306	1	45	0.0	-67.87	362.04	8.69	-59.18
CC(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109307	1	48	0.0	-73.64	369.39	8.34	-65.30
CC(CNC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109308	1	48	0.0	-70.10	384.22	9.45	-60.65
CC(CNC(=O)C1=C(CC(=O)[O-])OC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109309	1	45	0.0	-68.40	364.48	7.61	-60.79
CC1=COC(CC(=O)[O-])=C1C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109310	1	48	0.0	-55.28	392.23	8.18	-47.10
CC(CNC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109311	1	44	0.0	-65.38	360.62	6.97	-58.41
CC(CNC(=O)C12CC(C(=O)[O-])(C1)C2)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109312	1	46	0.0	-65.88	366.45	8.26	-57.62
CC(CNC(=O)C1(C(=O)[O-])CCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109313	1	45	0.0	-52.80	349.81	7.69	-45.11
CC(CNC(=O)CC1CCC(C(=O)[O-])CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109314	1	54	0.0	-71.78	406.69	9.63	-62.15
CC(CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109315	1	52	0.0	-74.12	396.00	9.06	-65.06
CC(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109316	1	55	0.0	-69.37	405.22	9.57	-59.80
CC(CNC(=O)CC(C)(C)CC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109317	1	50	0.0	-65.51	372.17	8.12	-57.39
CC(CC(=O)[O-])CC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109318	1	47	0.0	-67.45	362.33	7.69	-59.76
CC(CNC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109319	1	47	0.0	-71.72	384.79	7.95	-63.77
CC(CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109320	1	52	0.0	-73.83	414.20	9.40	-64.43
CC(CNC(=O)C1=NOC(C(=O)[O-])=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109321	1	41	0.0	-57.31	343.89	6.25	-51.06
CC(CNC(=O)C1(C(=O)[O-])CCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109322	1	48	0.0	-54.53	367.08	8.32	-46.21
CC(CNC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109323	1	58	0.0	-67.33	440.94	11.58	-55.75
CC1=C(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C=C(C(=O)[O-])O1	REAL300007109324	1	45	0.0	-62.42	366.06	7.79	-54.63
CC1=C(C(=O)[O-])OC(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)=C1	REAL300007109325	1	45	0.0	-59.01	366.40	7.66	-51.35
CC(CNC(=O)CN1C=C(C(=O)[O-])C=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109326	1	45	0.0	-74.71	368.40	6.81	-67.90
CC(CNC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109327	1	46	0.0	-62.19	381.60	8.27	-53.92
CC(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109328	1	52	0.0	-52.58	393.17	9.39	-43.19
CC(CNC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109329	1	49	0.0	-67.35	394.03	8.97	-58.38
CC(CNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109330	1	54	0.0	-74.53	431.19	9.26	-65.27
CC(CNC(=O)CCSCC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109331	1	45	0.0	-64.70	372.76	7.83	-56.87
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109332	1	44	0.0	-59.50	359.29	6.97	-52.53
CC(CNC(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109333	1	45	0.0	-67.35	365.45	6.35	-61.00
CC(CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109334	1	49	0.0	-73.06	384.30	8.20	-64.86
CC(CNC(=O)C(C)(C)CCC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109335	1	50	0.0	-70.28	380.98	8.25	-62.03
CC(CNC(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109336	1	48	0.0	-64.98	385.10	9.42	-55.56
CC(CNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109337	1	49	0.0	-69.28	393.96	9.99	-59.29
CC(CNC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109338	1	46	0.0	-67.83	381.11	8.12	-59.71
CC(CNC(=O)C1=CC=CC=C1CCC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109339	1	51	0.0	-70.63	398.01	10.23	-60.40
CC(CNC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109340	1	48	0.0	-75.86	395.69	4.38	-71.48
CC(CNC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109341	1	46	0.0	-65.20	382.64	8.49	-56.71
CC(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109342	1	48	0.0	-73.64	369.39	8.34	-65.30
CC1=CC=C(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C=C1C(=O)[O-]	REAL300007109343	1	48	0.0	-75.39	377.29	9.24	-66.15
CC(CNC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109344	1	44	0.0	-68.57	358.09	6.85	-61.72
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109345	1	47	0.0	-57.61	372.76	7.57	-50.04
CC(CNC(=O)CN1C=CC(C(=O)[O-])=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109346	1	45	0.0	-83.90	369.10	6.86	-77.04
CC(CNC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109347	1	51	0.0	-84.62	411.72	8.22	-76.40
CC(CNC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109348	1	45	0.0	-65.08	348.97	7.58	-57.50
CC(CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109349	1	52	0.0	-73.64	406.86	8.65	-64.99
CC(CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109350	1	52	0.0	-68.77	404.96	7.51	-61.26
CC(CNC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109351	1	45	0.0	-65.08	348.97	7.58	-57.50
CC1=C(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)OC(C(=O)[O-])=C1	REAL300007109352	1	45	0.0	-59.06	366.12	7.78	-51.28
CC(CNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109353	1	53	0.0	-52.49	384.29	10.02	-42.47
CC(C)C(C(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109354	1	47	0.0	-55.00	362.90	7.69	-47.31
CC(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109355	1	51	0.0	-71.39	375.54	9.49	-61.90
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(N(C)C)N=C1	REAL300007109356	0	53	0.0	-52.57	403.57	8.46	-44.11
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(N(C)C)N=C1	REAL300007109356	1	53	0.0	-53.17	403.12	8.47	-44.70
CC(CNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109357	1	52	0.0	-50.00	401.95	10.52	-39.48
CC(CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109358	1	52	0.0	-73.83	414.20	9.40	-64.43
CC(CNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109359	1	52	0.0	-84.67	420.94	10.76	-73.91
CC(CNC(=O)C1CC2(CC2C(=O)[O-])C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109360	1	49	0.0	-68.21	385.82	9.09	-59.12
CC(CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109361	1	45	0.0	-69.86	354.08	7.73	-62.13
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109362	1	51	0.0	-71.54	392.61	9.80	-61.74
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109363	1	48	0.0	-59.77	378.08	9.36	-50.41
CC(CNC(=O)C1CC(C)(C(=O)[O-])C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109364	1	48	0.0	-60.89	371.21	8.09	-52.80
CC(CNC(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109365	1	42	0.0	-72.99	351.45	8.62	-64.37
CC(CNC(=O)C1=CC(C(=O)[O-])=NN1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109366	1	42	0.0	-71.69	346.88	5.12	-66.57
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109367	1	47	0.0	-66.75	368.69	7.47	-59.28
CCCC(C(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109368	1	47	0.0	-54.46	369.21	7.86	-46.60
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109369	1	48	0.0	-68.06	378.06	9.36	-58.70
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109370	1	45	0.0	-66.38	374.52	9.18	-57.20
CC(CNC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109371	1	52	0.0	-70.81	403.09	9.57	-61.24
COC1=CC(C(=O)[O-])=NC(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)=C1	REAL300007109372	1	48	0.0	-57.19	389.51	6.26	-50.93
CC(CNC(=O)C1=CC=C(C(=O)[O-])N1C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109373	1	46	0.0	-67.75	364.65	7.89	-59.86
CC(CNC(=O)C1(C(=O)[O-])CC=CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109374	1	46	0.0	-54.73	359.48	8.23	-46.50
CC(CNC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109375	1	51	0.0	-66.84	405.46	10.28	-56.56
CC1=NNC(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)=C1C(=O)[O-]	REAL300007109376	1	45	0.0	-69.02	357.22	6.50	-62.52
CC(CNC(=O)CC1(CC(=O)[O-])CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109377	1	48	0.0	-59.91	374.58	8.43	-51.48
CC(CNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109378	1	49	0.0	-66.00	397.00	9.13	-56.87
CC(CNC(=O)C1=CSC(C(=O)[O-])=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109379	1	41	0.0	-56.27	351.71	5.84	-50.43
CC(CNC(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109380	1	45	0.0	-68.11	358.44	7.59	-60.52
CC1=C(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C=C(C(=O)[O-])S1	REAL300007109381	1	45	0.0	-59.96	372.47	8.54	-51.42
CC(CNC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109382	1	45	0.0	-68.29	392.74	9.22	-59.07
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)=C1	REAL300007109383	1	49	0.0	-69.55	399.75	8.37	-61.18
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109384	1	48	0.0	-61.51	389.20	9.10	-52.41
CC(CNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109385	1	48	0.0	-74.94	397.21	9.97	-64.97
CC(CNC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109386	1	50	0.0	-68.98	395.60	8.14	-60.84
CC(CNC(=O)C12CC(C(=O)[O-])(C1)CO2)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109387	1	47	0.0	-61.76	371.90	6.28	-55.48
CC(CNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109388	1	49	0.0	-71.45	397.44	9.83	-61.62
CC(CNC(=O)C1(C(=O)[O-])CC1C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109389	1	45	0.0	-51.90	352.80	7.87	-44.03
CC(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109390	1	52	0.0	-52.58	393.17	9.39	-43.19
CC(CNC(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109391	1	45	0.0	-66.45	368.89	6.06	-60.39
CC(CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109392	1	46	0.0	-61.19	387.06	7.71	-53.48
CC(CNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109393	1	46	0.0	-69.26	387.39	7.84	-61.42
CC(CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109394	1	46	0.0	-62.33	378.57	6.83	-55.50
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109395	1	48	0.0	-73.24	371.87	9.28	-63.96
CC(CNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109396	1	48	0.0	-73.07	393.22	8.05	-65.02
C=C1CCC1(C(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109397	1	46	0.0	-53.75	362.23	8.15	-45.60
CC(CNC(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109398	1	42	0.0	-71.51	355.26	7.70	-63.81
CC(CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300007109399	1	50	0.0	-68.41	382.43	6.98	-61.43
CC(CNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109400	1	51	0.0	-73.76	398.05	10.76	-63.00
CC(C)[C@]1(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C[C@H]1C(=O)[O-]	REAL300007109401	1	51	0.0	-63.43	391.90	8.71	-54.72
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109402	1	51	0.0	-77.95	404.30	9.79	-68.16
CC(CNC(=O)CC1=CC(C(=O)[O-])=CS1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109403	1	45	0.0	-73.77	378.10	8.52	-65.25
CC(CNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109404	1	48	0.0	-79.45	392.24	9.41	-70.04
CC(CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109405	1	48	0.0	-66.46	368.84	8.25	-58.21
CC(CNC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109406	1	52	0.0	-63.14	412.03	10.24	-52.90
CC(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109407	1	55	0.0	-69.37	405.22	9.57	-59.80
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300007109408	1	48	0.0	-66.20	375.76	9.19	-57.01
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=[NH+]1	REAL300007109409	1	52	0.0	-71.00	405.87	9.45	-61.55
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300007109410	1	48	0.0	-73.78	375.67	9.13	-64.65
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])S2)C=[NH+]1	REAL300007109411	1	45	0.0	-61.03	370.05	8.35	-52.68
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=CC(C(=O)[O-])=N2)C=[NH+]1	REAL300007109412	1	47	0.0	-59.36	372.52	7.44	-51.92
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300007109413	1	54	0.0	-70.39	420.85	10.67	-59.72
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=NC(C(=O)[O-])=C2)C=[NH+]1	REAL300007109414	1	47	0.0	-75.98	371.85	7.42	-68.56
CN(C)C1=CC=C(C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300007109415	1	52	0.0	-69.89	410.29	10.38	-59.51
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=[NH+]1	REAL300007109416	1	50	0.0	-55.72	402.94	9.85	-45.87
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=[NH+]1	REAL300007109417	1	50	0.0	-55.72	402.94	9.85	-45.87
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])O2)C=[NH+]1	REAL300007109418	1	45	0.0	-58.17	361.21	7.58	-50.59
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCC2=CC=CC=C2C(=O)[O-])C=[NH+]1	REAL300007109419	1	54	0.0	-62.97	411.15	10.42	-52.55
CC1=CC(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)=CC(C)=C1OCC(=O)[O-]	REAL300007109420	1	58	0.0	-68.12	449.73	11.03	-57.09
CN(C)C1=CC=C(C(C)(C)CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300007109421	1	51	0.0	-72.96	399.46	9.85	-63.11
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2(C(=O)[O-])CC2)C=[NH+]1	REAL300007109422	1	45	0.0	-52.29	347.44	7.69	-44.60
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2(C(=O)[O-])CC2)C=[NH+]1	REAL300007109423	1	45	0.0	-52.29	347.44	7.69	-44.60
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2CCCC(C(=O)[O-])C2)C=[NH+]1	REAL300007109424	1	54	0.0	-71.81	394.38	9.25	-62.56
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])N=C2)C=[NH+]1	REAL300007109425	1	47	0.0	-66.83	370.66	7.41	-59.42
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C=[NH+]1	REAL300007109426	1	47	0.0	-58.64	373.17	7.46	-51.18
CN(C)C1=CC=C(C(C)(C)CNC(=O)CC(C)(C)CC(=O)[O-])C=[NH+]1	REAL300007109427	1	53	0.0	-63.84	383.93	8.61	-55.23
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2F)C=[NH+]1	REAL300007109428	1	48	0.0	-65.72	380.19	9.21	-56.51
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CN=C(C(=O)[O-])C=N2)C=[NH+]1	REAL300007109429	1	46	0.0	-60.74	368.65	5.55	-55.19
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C=[NH+]1	REAL300007109430	1	54	0.0	-67.33	400.37	9.31	-58.02
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2CCC(C(=O)[O-])CC2)C=[NH+]1	REAL300007109431	1	54	0.0	-65.75	400.75	9.43	-56.32
CN(C)C1=CC=C(C(C)(C)CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300007109432	1	51	0.0	-74.61	399.45	9.86	-64.75
CN(C)C1=CC=C(C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])N=N2)C=[NH+]1	REAL300007109433	1	47	0.0	-76.05	376.45	5.85	-70.20
CC1=NC(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)=CC=C1C(=O)[O-]	REAL300007109434	1	50	0.0	-58.50	389.33	7.92	-50.58
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300007109435	1	48	0.0	-66.20	375.76	9.19	-57.01
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300007109436	1	51	0.0	-73.66	383.16	8.72	-64.94
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=CC(CC(=O)[O-])=C2)C=[NH+]1	REAL300007109437	1	51	0.0	-68.05	396.96	9.94	-58.11
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=C(CC(=O)[O-])OC=C2)C=[NH+]1	REAL300007109438	1	48	0.0	-66.93	376.84	8.09	-58.84
CC1=COC(CC(=O)[O-])=C1C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109439	1	51	0.0	-55.47	403.71	8.70	-46.77
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CC=N2)C=[NH+]1	REAL300007109440	1	47	0.0	-64.02	372.38	7.47	-56.55
CN(C)C1=CC=C(C(C)(C)CNC(=O)C23CC(C(=O)[O-])(C2)C3)C=[NH+]1	REAL300007109441	1	49	0.0	-64.64	377.83	8.73	-55.91
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2(C(=O)[O-])CCC2)C=[NH+]1	REAL300007109442	1	48	0.0	-52.25	361.58	8.18	-44.07
CN(C)C1=CC=C(C(C)(C)CNC(=O)C(C)(C)C(=O)[O-])C=[NH+]1	REAL300007109443	1	47	0.0	-66.87	354.53	8.44	-58.43
CN(C)C1=CC=C(C(C)(C)CNC(=O)CC2CCC(C(=O)[O-])CC2)C=[NH+]1	REAL300007109444	1	57	0.0	-69.92	420.47	10.07	-59.85
CN(C)C1=CC=C(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)C=[NH+]1	REAL300007109445	1	55	0.0	-72.12	408.96	9.58	-62.54
CN(C)C1=CC=C(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C=[NH+]1	REAL300007109446	1	58	0.0	-67.69	419.32	10.08	-57.61
CN(C)C1=CC=C(C(C)(C)CNC(=O)CC(C)(C)CC(=O)[O-])C=[NH+]1	REAL300007109447	1	53	0.0	-63.84	383.93	8.61	-55.23
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCCC(=O)[O-])C=[NH+]1	REAL300007109448	1	47	0.0	-66.62	361.58	7.78	-58.84
CC(CC(=O)[O-])CC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109449	1	50	0.0	-65.67	374.19	8.23	-57.44
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C=[NH+]1	REAL300007109450	1	50	0.0	-71.66	397.53	8.45	-63.21
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C=[NH+]1	REAL300007109451	1	55	0.0	-71.83	426.93	9.90	-61.93
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=NOC(C(=O)[O-])=C2)C=[NH+]1	REAL300007109452	1	44	0.0	-56.37	356.53	6.70	-49.67
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300007109453	1	51	0.0	-54.45	378.95	8.85	-45.60
CC1=C(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C=C(C(=O)[O-])O1	REAL300007109454	1	48	0.0	-61.69	378.80	8.28	-53.41
CC1=C(C(=O)[O-])OC(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)=C1	REAL300007109455	1	48	0.0	-58.71	378.76	8.14	-50.57
CN(C)C1=CC=C(C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])C=N2)C=[NH+]1	REAL300007109456	1	48	0.0	-72.51	382.51	7.33	-65.18
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C=CC(=O)[O-])O2)C=[NH+]1	REAL300007109457	1	49	0.0	-61.55	395.22	8.72	-52.83
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C=[NH+]1	REAL300007109458	1	55	0.0	-51.94	406.80	9.84	-42.10
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=[NH+]1	REAL300007109459	1	52	0.0	-65.84	405.41	9.44	-56.40
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCSCC(=O)[O-])C=[NH+]1	REAL300007109460	1	48	0.0	-63.18	385.50	8.33	-54.85
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C=[NH+]1	REAL300007109461	1	47	0.0	-58.64	373.17	7.46	-51.18
CN(C)C1=CC=C(C(C)(C)CNC(=O)COCC(=O)[O-])C=[NH+]1	REAL300007109462	1	45	0.0	-68.54	353.71	7.03	-61.51
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=NN2C)C=[NH+]1	REAL300007109463	1	48	0.0	-66.62	378.11	6.80	-59.82
C[C@@H]1C[C@H](C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)O[C@H]1C(=O)[O-]	REAL300007109464	1	52	0.0	-74.26	397.02	8.67	-65.59
CN(C)C1=CC=C(C(C)(C)CNC(=O)C(C)(C)CCC(=O)[O-])C=[NH+]1	REAL300007109465	1	53	0.0	-68.21	393.63	8.69	-59.52
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(CC(=O)[O-])C=C2)C=[NH+]1	REAL300007109466	1	51	0.0	-63.32	397.95	9.96	-53.36
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=[NH+]1	REAL300007109467	1	52	0.0	-67.79	406.48	10.45	-57.34
CN(C)C1=CC=C(C(C)(C)CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)C=[NH+]1	REAL300007109468	1	49	0.0	-66.24	394.83	8.63	-57.61
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=CC=C2CCC(=O)[O-])C=[NH+]1	REAL300007109469	1	54	0.0	-68.24	410.75	10.73	-57.51
CN(C)C1=CC=C(C(C)(C)CNC(=O)COCC2=C(C(=O)[O-])N=CO2)C=[NH+]1	REAL300007109470	1	51	0.0	-74.36	407.57	4.92	-69.44
CN(C)C1=CC=C(C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)C=[NH+]1	REAL300007109471	1	49	0.0	-64.15	396.27	8.95	-55.20
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300007109472	1	51	0.0	-73.66	383.16	8.72	-64.94
CC1=CC=C(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C=C1C(=O)[O-]	REAL300007109473	1	51	0.0	-73.10	390.76	9.71	-63.39
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CN=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300007109474	1	47	0.0	-66.55	369.56	7.38	-59.17
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109475	1	50	0.0	-57.05	386.22	8.04	-49.01
CN(C)C1=CC=C(C(C)(C)CNC(=O)CN2C=CC(C(=O)[O-])=N2)C=[NH+]1	REAL300007109476	1	48	0.0	-81.77	381.84	7.36	-74.41
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)C=[NH+]1	REAL300007109477	1	54	0.0	-82.70	424.09	8.70	-74.00
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C=[NH+]1	REAL300007109478	1	48	0.0	-58.53	362.33	8.21	-50.32
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C=[NH+]1	REAL300007109479	1	55	0.0	-71.57	419.50	9.09	-62.48
CN(C)C1=CC=C(C(C)(C)CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C=[NH+]1	REAL300007109480	1	55	0.0	-68.58	418.49	7.95	-60.63
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C=[NH+]1	REAL300007109481	1	48	0.0	-58.53	362.33	8.21	-50.32
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C=[NH+]1	REAL300007109482	1	45	0.0	-58.13	349.58	7.61	-50.52
CC1=C(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)OC(C(=O)[O-])=C1	REAL300007109483	1	48	0.0	-58.72	380.00	8.27	-50.45
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300007109484	1	56	0.0	-50.65	396.14	10.53	-40.12
CCC(C(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109485	1	47	0.0	-51.37	354.22	7.83	-43.54
CC(C)C(C(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109486	1	50	0.0	-54.33	375.64	8.19	-46.14
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C=[NH+]1	REAL300007109487	1	54	0.0	-70.66	387.70	9.90	-60.76
CN(C)C1=CC=C(C(C)(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300007109488	0	56	0.0	-51.94	415.41	9.05	-42.89
CN(C)C1=CC=C(C(C)(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300007109488	1	56	0.0	-48.87	407.19	8.60	-40.27
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C=[NH+]1	REAL300007109489	1	45	0.0	-62.57	351.15	7.71	-54.86
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C=[NH+]1	REAL300007109490	1	55	0.0	-49.73	415.68	11.01	-38.72
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C=[NH+]1	REAL300007109491	1	55	0.0	-71.83	426.93	9.90	-61.93
CN(C)C1=CC=C(C(C)(C)CNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C=[NH+]1	REAL300007109492	1	55	0.0	-82.74	432.64	11.32	-71.42
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2CC3(CC3C(=O)[O-])C2)C=[NH+]1	REAL300007109493	1	52	0.0	-66.25	395.70	9.53	-56.72
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300007109494	1	48	0.0	-70.87	367.42	8.14	-62.73
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109495	1	54	0.0	-69.34	406.53	9.94	-59.40
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109496	1	51	0.0	-59.47	390.15	9.86	-49.61
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2CC(C)(C(=O)[O-])C2)C=[NH+]1	REAL300007109497	1	51	0.0	-59.96	383.95	8.59	-51.37
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=C(C(=O)[O-])SC=C2)C=[NH+]1	REAL300007109498	1	45	0.0	-70.64	363.54	9.13	-61.51
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=NN2)C=[NH+]1	REAL300007109499	1	45	0.0	-70.01	358.49	5.63	-64.38
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109500	1	50	0.0	-65.03	380.09	7.94	-57.09
CCCC(C(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109501	1	50	0.0	-51.60	374.75	8.58	-43.02
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109502	1	51	0.0	-66.78	390.13	9.88	-56.90
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=[NH+]1	REAL300007109503	1	48	0.0	-64.67	388.15	9.64	-55.03
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C=[NH+]1	REAL300007109504	1	55	0.0	-67.48	416.69	10.04	-57.44
COC1=CC(C(=O)[O-])=NC(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)=C1	REAL300007109505	1	51	0.0	-57.12	403.51	6.73	-50.39
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C(=O)[O-])N2C)C=[NH+]1	REAL300007109506	1	49	0.0	-66.07	378.37	8.40	-57.67
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2(C(=O)[O-])CC=CC2)C=[NH+]1	REAL300007109507	1	49	0.0	-54.01	372.24	8.72	-45.29
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=[NH+]1	REAL300007109508	1	54	0.0	-65.12	419.35	10.77	-54.35
CN(C)C1=CC=C(C(C)(C)CNC(=O)CC2(CC(=O)[O-])CC2)C=[NH+]1	REAL300007109510	1	51	0.0	-59.21	386.34	8.92	-50.29
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C=[NH+]1	REAL300007109511	1	52	0.0	-64.53	408.48	9.65	-54.88
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CSC(C(=O)[O-])=N2)C=[NH+]1	REAL300007109512	1	44	0.0	-56.16	364.07	6.31	-49.85
COC(C(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109513	1	45	0.0	-55.68	350.81	6.89	-48.79
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300007109514	1	48	0.0	-63.25	370.53	8.07	-55.18
CC1=C(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C=C(C(=O)[O-])S1	REAL300007109515	1	48	0.0	-59.55	383.66	9.00	-50.55
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109516	1	51	0.0	-60.23	403.55	9.59	-50.64
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C=[NH+]1	REAL300007109517	1	51	0.0	-72.89	410.93	10.47	-62.42
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCC2=CC=CN=C2C(=O)[O-])C=[NH+]1	REAL300007109518	1	53	0.0	-68.18	408.15	8.67	-59.51
CN(C)C1=CC=C(C(C)(C)CNC(=O)C23CC(C(=O)[O-])(C2)CO3)C=[NH+]1	REAL300007109519	1	50	0.0	-60.39	385.47	6.72	-53.67
CN(C)C1=CC=C(C(C)(C)CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300007109520	1	52	0.0	-69.85	410.28	10.38	-59.47
CC1CC1(C(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109521	1	48	0.0	-51.36	362.14	8.41	-42.95
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C=[NH+]1	REAL300007109522	1	55	0.0	-51.94	406.80	9.84	-42.10
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=C(C(=O)[O-])C=NN2C)C=[NH+]1	REAL300007109523	1	48	0.0	-64.58	380.75	6.60	-57.98
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C=[NH+]1	REAL300007109524	1	49	0.0	-60.55	399.94	8.19	-52.36
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C=[NH+]1	REAL300007109525	1	49	0.0	-67.80	401.02	8.29	-59.51
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C=[NH+]1	REAL300007109526	1	49	0.0	-61.47	391.16	7.35	-54.12
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109527	1	51	0.0	-71.24	384.26	9.74	-61.50
CN(C)C1=CC=C(C(C)(C)CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C=[NH+]1	REAL300007109528	1	51	0.0	-71.85	404.70	8.58	-63.27
C=C1CCC1(C(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109529	1	49	0.0	-53.25	374.96	8.65	-44.60
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC(C(=O)[O-])=CS2)C=[NH+]1	REAL300007109530	1	45	0.0	-69.60	368.88	8.15	-61.45
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300007109531	1	53	0.0	-61.80	395.13	7.44	-54.36
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C=[NH+]1	REAL300007109532	1	54	0.0	-72.14	410.79	11.25	-60.89
CC(C)[C@]1(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C[C@H]1C(=O)[O-]	REAL300007109533	1	54	0.0	-67.71	404.59	9.24	-58.47
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300007109534	1	54	0.0	-75.89	417.04	10.28	-65.61
CN(C)C1=CC=C(C(C)(C)CNC(=O)CC2=CC(C(=O)[O-])=CS2)C=[NH+]1	REAL300007109535	1	48	0.0	-71.90	391.98	9.00	-62.90
CN(C)C1=CC=C(C(C)(C)CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C=[NH+]1	REAL300007109536	1	51	0.0	-77.47	404.00	9.89	-67.58
CN(C)C1=CC=C(C(C)(C)CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C=[NH+]1	REAL300007109537	1	51	0.0	-60.49	381.06	8.70	-51.79
CN(C)C1=CC=C(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C=[NH+]1	REAL300007109538	1	58	0.0	-67.69	419.32	10.08	-57.61
CN(CC12CCC(CC1)C2)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007109582	0	50	0.0	-46.10	350.21	9.91	-36.19
CN(CC12CCC(CC1)C2)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007109582	1	50	0.0	-46.50	357.13	9.94	-36.56
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3CC2C(F)(F)C3)C1	REAL300007109643	0	41	0.0	-51.01	317.00	8.51	-42.50
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3CC2C(F)(F)C3)C1	REAL300007109643	1	41	0.0	-49.72	316.77	8.52	-41.20
CN1C=NC(C(CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)[NH+]2CCCC2)=C1	REAL300007109674	1	53	0.0	-75.05	414.43	11.62	-63.43
CN1C=NC(C(CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[NH+]2CCCC2)=C1	REAL300007109676	1	51	0.0	-75.65	402.69	11.30	-64.35
CN1C=NC(C(CNC(=O)CCC2=CC=CC=C2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300007109680	1	53	0.0	-60.73	405.51	11.35	-49.38
CN1C=NC(C(CNC(=O)CC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)=C1	REAL300007109681	1	50	0.0	-80.62	392.85	10.78	-69.84
CN1C=NC(C(CNC(=O)CC(C)(C)CC(=O)[O-])[NH+]2CCCC2)=C1	REAL300007109687	1	52	0.0	-69.48	377.33	9.54	-59.94
CN1C=NC(C(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2)[NH+]2CCCC2)=C1	REAL300007109692	1	50	0.0	-83.95	393.03	10.81	-73.14
CN1C=NC(C(CNC(=O)CC2CCC(C(=O)[O-])CC2)[NH+]2CCCC2)=C1	REAL300007109704	1	56	0.0	-78.08	412.97	11.04	-67.04
CN1C=NC(C(CNC(=O)CC(C)(C)CC(=O)[O-])[NH+]2CCCC2)=C1	REAL300007109707	1	52	0.0	-69.48	377.33	9.54	-59.94
CN1C=NC(C(CNC(=O)CCCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300007109708	1	46	0.0	-72.42	354.98	8.72	-63.70
CC(CC(=O)[O-])CC(=O)NCC(C1=CN(C)C=N1)[NH+]1CCCC1	REAL300007109709	1	49	0.0	-71.49	367.58	9.16	-62.33
CN1C=NC(C(CNC(=O)CCSCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300007109720	1	47	0.0	-67.84	378.01	9.30	-58.54
CN1C=NC(C(CNC(=O)C=CC2=CC(C(=O)[O-])=CO2)[NH+]2CCCC2)=C1	REAL300007109728	1	48	0.0	-71.46	387.24	9.54	-61.92
CN1C=NC(C(CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)[NH+]2CCCC2)=C1	REAL300007109731	1	48	0.0	-64.40	388.78	9.92	-54.48
CN1C=NC(C(CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)[NH+]2CCCC2)=C1	REAL300007109737	1	53	0.0	-91.63	417.86	9.65	-81.98
CN1C=NC(C(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)[NH+]2CCCC2)=C1	REAL300007109740	1	54	0.0	-69.27	418.16	8.47	-60.80
CN1C=NC(C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N2CCCC2)=C1	REAL300007109748	0	55	0.0	-44.63	409.96	7.88	-36.75
CN1C=NC(C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N2CCCC2)=C1	REAL300007109748	1	55	0.0	-46.27	416.66	7.93	-38.34
CN1C=NC(C(CNC(=O)CC2(CC(=O)[O-])CC2)[NH+]2CCCC2)=C1	REAL300007109770	1	50	0.0	-61.60	379.41	9.85	-51.75
CN1C=NC(C(CNC(=O)CCC2=CC=CN=C2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300007109778	1	52	0.0	-68.82	402.01	9.58	-59.24
CN1C=NC(C(CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)[NH+]2CCCC2)=C1	REAL300007109780	1	51	0.0	-75.62	402.71	11.29	-64.33
CN1C=NC(C(CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)[NH+]2CCCC2)=C1	REAL300007109788	1	50	0.0	-76.15	398.65	9.54	-66.61
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(C1=CN(C)C=N1)[NH+]1CCCC1	REAL300007109794	1	53	0.0	-85.71	409.75	11.27	-74.44
CN1C=NC(C(CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)[NH+]2CCCC2)=C1	REAL300007109796	1	50	0.0	-87.20	397.57	10.84	-76.36
CC(C)(C)OCCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007109842	0	52	0.0	-48.98	388.98	7.10	-41.88
CC(C)(C)OCCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007109842	1	52	0.0	-49.55	389.62	7.12	-42.43
CCC1=CSC(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300007109954	0	52	0.0	-50.07	402.46	9.50	-40.57
CCC1=CSC(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300007109954	1	52	0.0	-46.98	394.99	9.04	-37.94
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCC3=CC=CC=C3C2)C1	REAL300007110083	0	53	0.0	-49.57	391.65	10.51	-39.06
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCC3=CC=CC=C3C2)C1	REAL300007110083	1	53	0.0	-48.95	390.95	10.50	-38.45
COCCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300007110200	0	56	0.0	-46.89	404.13	9.45	-37.44
COCCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300007110200	1	56	0.0	-47.29	404.42	9.46	-37.83
COCCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCCC1	REAL300007110304	0	59	0.0	-47.26	418.84	10.15	-37.11
COCCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCCC1	REAL300007110304	1	59	0.0	-47.25	419.04	10.11	-37.14
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(C3CC3)C=C2)C1	REAL300007110448	0	50	0.0	-50.07	387.43	10.30	-39.77
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(C3CC3)C=C2)C1	REAL300007110448	1	50	0.0	-49.89	381.22	10.28	-39.61
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCCCC2(F)F)C1	REAL300007110592	0	49	0.0	-47.52	348.87	7.74	-39.78
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCCCC2(F)F)C1	REAL300007110592	1	49	0.0	-51.64	350.91	8.19	-43.45
CCC1CCCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007110708	0	55	0.0	-46.82	387.94	9.54	-37.28
CCC1CCCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007110708	1	55	0.0	-44.16	381.21	9.11	-35.05
CC1=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300007110880	0	46	0.0	-52.44	371.13	7.87	-44.57
CC1=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300007110880	1	46	0.0	-51.90	376.37	7.86	-44.04
CC(C)CN1C=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300007110998	0	49	0.0	-47.88	376.23	7.49	-40.39
CC(C)CN1C=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300007110998	1	49	0.0	-49.48	377.95	7.54	-41.94
CCC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300007111103	0	54	0.0	-56.42	417.35	9.34	-47.08
CCC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300007111103	1	54	0.0	-57.58	418.93	9.50	-48.08
CC12CC(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)(C1)CO2	REAL300007111179	0	48	0.0	-51.40	356.82	6.31	-45.09
CC12CC(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)(C1)CO2	REAL300007111179	1	48	0.0	-48.16	355.22	5.84	-42.32
CC(C)CN1N=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007111278	0	49	0.0	-49.47	366.01	6.84	-42.63
CC(C)CN1N=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007111278	1	49	0.0	-51.41	380.69	7.39	-44.02
O=C([O-])C1CCC[N@H+](CC(=O)NCCN2N=NC3=CC=CC=C32)C1	REAL300007111396	0	45	0.0	-58.68	361.16	6.09	-52.59
O=C([O-])C1CCC[N@@H+](CC(=O)NCCN2N=NC3=CC=CC=C32)C1	REAL300007111396	1	45	0.0	-60.19	354.95	6.07	-54.12
CC(F)(F)C1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007111500	0	46	0.0	-49.07	342.95	8.82	-40.25
CC(F)(F)C1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007111500	1	46	0.0	-45.74	336.32	8.37	-37.37
O=C([O-])COC1=CC=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111542	1	43	0.0	-75.96	345.77	8.59	-67.37
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)S1	REAL300007111543	1	36	0.0	-59.65	308.98	7.48	-52.17
O=C([O-])C1=CC=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=N1	REAL300007111544	1	38	0.0	-52.16	312.80	6.58	-45.58
CC(SC1=CC=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300007111545	1	46	0.0	-77.43	367.26	10.07	-67.36
CCOC1=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC=C1OCC(=O)[O-]	REAL300007111546	1	50	0.0	-73.53	396.76	9.27	-64.26
O=C([O-])C1=CC=C(CCC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007111547	1	45	0.0	-73.14	360.75	9.79	-63.35
O=C([O-])C1=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC=N1	REAL300007111548	1	38	0.0	-80.71	310.77	6.55	-74.16
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NCC1CCCC2=[NH+]C=CN21	REAL300007111549	1	43	0.0	-72.93	349.21	9.50	-63.43
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007111550	1	47	0.0	-69.66	393.42	4.69	-64.97
O=C([O-])C1=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC([N+](=O)[O-])=C1	REAL300007111551	1	41	0.0	-52.90	342.86	8.98	-43.92
O=C([O-])C1=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC([N+](=O)[O-])=C1	REAL300007111552	1	41	0.0	-52.90	342.86	8.98	-43.92
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007111553	1	49	0.0	-74.64	389.69	9.87	-64.77
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111554	1	46	0.0	-78.32	371.02	9.63	-68.69
O=C([O-])C1=CC=CC=C1CCC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111555	1	45	0.0	-66.15	352.16	9.53	-56.62
CC1=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC(C)=C1OCC(=O)[O-]	REAL300007111556	1	49	0.0	-70.81	387.48	10.04	-60.77
O=C([O-])C1=CC(CC(=O)NCC2CCCC3=[NH+]C=CN32)=CC=C1	REAL300007111557	1	42	0.0	-79.89	339.36	8.98	-70.91
O=C([O-])C1CCCC(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300007111558	1	45	0.0	-76.50	337.96	8.45	-68.05
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=N1	REAL300007111559	1	38	0.0	-66.89	310.57	6.53	-60.36
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)N=C1	REAL300007111560	1	38	0.0	-57.06	312.10	6.58	-50.48
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C(F)=C1	REAL300007111561	1	39	0.0	-68.18	319.21	8.39	-59.79
O=C([O-])C1=CN=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=N1	REAL300007111562	1	37	0.0	-59.80	307.68	4.71	-55.09
O=C([O-])[C@H]1CC[C@H](C(=O)NCC2CCCC3=[NH+]C=CN32)CC1	REAL300007111563	1	45	0.0	-68.03	340.81	8.55	-59.48
O=C([O-])C1CCC(C(=O)NCC2CCCC3=[NH+]C=CN32)CC1	REAL300007111564	1	45	0.0	-68.02	340.80	8.55	-59.47
O=C([O-])C1=CC=C(CC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007111565	1	42	0.0	-81.22	339.36	8.99	-72.23
O=C([O-])C1=CN(CC(=O)NCC2CCCC3=[NH+]C=CN32)N=N1	REAL300007111566	1	38	0.0	-81.85	316.51	4.96	-76.89
CC1=NC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC=C1C(=O)[O-]	REAL300007111567	1	41	0.0	-57.42	328.36	7.08	-50.34
O=C([O-])C1=CC(Br)=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111568	1	39	0.0	-70.70	335.98	8.91	-61.79
O=C([O-])CC1=CC=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111569	1	42	0.0	-72.64	336.88	9.08	-63.56
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111570	1	49	0.0	-68.75	380.76	11.69	-57.06
O=C([O-])CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=CO1	REAL300007111571	1	39	0.0	-71.55	317.14	7.23	-64.32
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111572	1	42	0.0	-54.73	344.00	7.84	-46.89
O=C([O-])C1=CC=NC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111573	1	38	0.0	-65.89	312.29	6.59	-59.30
O=C([O-])C1CCC(CC(=O)NCC2CCCC3=[NH+]C=CN32)CC1	REAL300007111574	1	48	0.0	-67.18	352.34	9.04	-58.14
O=C([O-])C12CCC(C(=O)NCC3CCCC4=[NH+]C=CN43)(CC1)C2	REAL300007111575	1	46	0.0	-77.37	348.60	8.70	-68.67
O=C([O-])C12CCC(C(=O)NCC3CCCC4=[NH+]C=CN43)(CC1)CC2	REAL300007111576	1	49	0.0	-69.94	355.76	9.14	-60.80
O=C([O-])C1=C2N=CC=C(C(=O)NCC3CCCC4=[NH+]C=CN43)N2N=C1	REAL300007111577	1	41	0.0	-67.02	335.40	7.65	-59.37
O=C([O-])CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)NC2=CC=CC=C21	REAL300007111578	1	46	0.0	-76.61	366.84	9.02	-67.59
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC3CCCC4=[NH+]C=CN43)C2=C1	REAL300007111579	1	52	0.0	-67.57	393.60	11.20	-56.37
CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C(C(=O)[O-])O1	REAL300007111580	1	39	0.0	-58.86	317.83	7.45	-51.41
CC1=C(C(=O)[O-])OC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111581	1	39	0.0	-54.08	319.04	7.29	-46.79
O=C([O-])C1=CN(CC(=O)NCC2CCCC3=[NH+]C=CN32)N=C1	REAL300007111582	1	39	0.0	-77.85	321.43	6.45	-71.40
O=C([O-])C=CC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)O1	REAL300007111583	1	40	0.0	-58.08	334.25	7.90	-50.18
O=C([O-])C1(C(=O)NCC2CCCC3=[NH+]C=CN32)CC2(CCC2)C1	REAL300007111584	1	46	0.0	-50.06	345.56	9.01	-41.05
O=C([O-])COC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007111585	1	43	0.0	-68.25	345.69	8.60	-59.65
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300007111586	1	48	0.0	-73.67	382.94	8.89	-64.78
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)N=C1	REAL300007111587	1	38	0.0	-57.06	312.10	6.58	-50.48
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111588	1	39	0.0	-76.58	311.41	6.00	-70.58
C[C@@H]1C[C@H](C(=O)NCC2CCCC3=[NH+]C=CN32)O[C@H]1C(=O)[O-]	REAL300007111589	1	43	0.0	-72.12	336.90	7.83	-64.29
O=C([O-])CC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007111590	1	42	0.0	-65.82	336.87	9.09	-56.73
O=C([O-])C=CC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007111591	1	43	0.0	-69.82	346.77	9.61	-60.21
O=C(C=CC1=CC(C(=O)[O-])=CO1)NCC1CCCC2=[NH+]C=CN21	REAL300007111592	1	40	0.0	-69.16	333.76	7.76	-61.40
O=C([O-])CCC1=CC=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111593	1	45	0.0	-75.37	349.91	9.84	-65.53
O=C([O-])C1=C(COCC(=O)NCC2CCCC3=[NH+]C=CN32)OC=N1	REAL300007111594	1	42	0.0	-79.15	347.46	4.05	-75.10
O=C(C=CC1=CC=C(C(=O)[O-])O1)NCC1CCCC2=[NH+]C=CN21	REAL300007111595	1	40	0.0	-63.06	335.29	8.11	-54.95
CC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1C(=O)[O-]	REAL300007111596	1	42	0.0	-78.03	330.67	8.85	-69.18
O=C([O-])C1=CN=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111597	1	38	0.0	-69.87	309.85	6.52	-63.35
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111598	1	41	0.0	-53.10	326.13	7.18	-45.92
O=C([O-])C1=NN(CC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007111599	1	39	0.0	-87.40	320.76	6.47	-80.93
O=C([O-])C1=NN(CCCC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007111600	1	45	0.0	-88.21	364.37	7.84	-80.37
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC2CCCC3=[NH+]C=CN32)O1	REAL300007111601	1	46	0.0	-77.24	358.26	8.23	-69.01
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC1CCCC2=[NH+]C=CN21	REAL300007111602	1	46	0.0	-68.85	356.86	7.12	-61.73
CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)OC(C(=O)[O-])=C1	REAL300007111603	1	39	0.0	-54.03	318.93	7.39	-46.64
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111604	1	47	0.0	-60.62	346.00	9.39	-51.23
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111605	1	45	0.0	-68.47	330.56	8.85	-59.62
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCC3=NC=CN32)C1	REAL300007111606	0	47	0.0	-56.33	352.89	8.07	-48.26
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCC3=NC=CN32)C1	REAL300007111606	1	47	0.0	-55.57	352.22	8.06	-47.51
O=C([O-])C1(C(=O)NCC2CCCC3=[NH+]C=CN32)CC1C1=CC=CC=C1	REAL300007111607	1	46	0.0	-45.03	355.46	10.25	-34.78
O=C([O-])CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)NC2=CC=CC=C21	REAL300007111608	1	46	0.0	-76.61	366.84	9.02	-67.59
O=C([O-])C1=CN(CC(=O)NCC2CCCC3=[NH+]C=CN32)C2=CC=CC=C12	REAL300007111609	1	46	0.0	-87.79	372.70	10.43	-77.36
O=C([O-])C1CC12CC(C(=O)NCC1CCCC3=[NH+]C=CN31)C2	REAL300007111610	1	43	0.0	-59.88	337.08	8.65	-51.23
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111611	1	45	0.0	-72.69	346.31	9.08	-63.61
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111612	1	42	0.0	-54.43	330.72	8.98	-45.45
O=C([O-])C1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=CS1	REAL300007111613	1	36	0.0	-75.00	302.47	8.25	-66.75
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111614	1	41	0.0	-67.45	320.37	7.08	-60.37
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111615	1	42	0.0	-67.37	330.71	8.98	-58.39
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C(Cl)=C1	REAL300007111616	1	39	0.0	-66.67	327.17	8.81	-57.86
O=C([O-])C1CC2(C1)CC(C(=O)NCC1CCCC3=[NH+]C=CN31)C2	REAL300007111617	1	46	0.0	-71.26	355.65	9.16	-62.10
COC1=CC(C(=O)[O-])=NC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111618	1	42	0.0	-50.49	342.54	5.91	-44.58
CN1C(C(=O)[O-])=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111619	1	40	0.0	-68.19	317.31	7.52	-60.67
O=C([O-])CCC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007111620	1	45	0.0	-67.92	358.27	9.89	-58.03
CC1=NNC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1C(=O)[O-]	REAL300007111621	1	39	0.0	-70.54	310.23	6.13	-64.41
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC1CCCC3=[NH+]C=CN31)C2	REAL300007111622	1	43	0.0	-66.18	348.77	8.80	-57.38
O=C([O-])C1=NC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CS1	REAL300007111623	1	35	0.0	-50.42	304.36	5.46	-44.96
CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C(C(=O)[O-])S1	REAL300007111624	1	39	0.0	-55.43	323.95	8.15	-47.28
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCC1CCCC3=[NH+]C=CN31)=C2	REAL300007111625	1	39	0.0	-69.33	344.50	8.89	-60.44
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111626	1	43	0.0	-71.15	352.40	7.99	-63.16
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111627	1	42	0.0	-57.95	342.74	8.72	-49.23
O=C([O-])C1=C2C=C(C(=O)NCC3CCCC4=[NH+]C=CN43)SC2=CC=C1	REAL300007111628	1	42	0.0	-76.98	349.86	9.59	-67.39
O=C([O-])C1=NC=CC=C1CCC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111629	1	44	0.0	-64.79	348.29	7.77	-57.02
O=C([O-])C12CC(C(=O)NCC3CCCC4=[NH+]C=CN43)(C1)OC2	REAL300007111630	1	41	0.0	-61.04	324.50	5.90	-55.14
O=C(/C=C/C1=CC=C(C(=O)[O-])C=C1)NCC1CCCC2=[NH+]C=CN21	REAL300007111631	1	43	0.0	-72.95	349.21	9.50	-63.45
O=C([O-])C1(C(=O)NCC2CCCC3=[NH+]C=CN32)CC2(CCC2)C1	REAL300007111632	1	46	0.0	-50.06	345.56	9.01	-41.05
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111633	1	39	0.0	-59.20	320.66	5.72	-53.48
O=C([O-])C1=CSC2=C1NC(C(=O)NCC1CCCC3=[NH+]C=CN31)=C2	REAL300007111634	1	40	0.0	-56.49	339.86	7.32	-49.17
O=C([O-])C1=CC2=C(C=C(C(=O)NCC3CCCC4=[NH+]C=CN43)N2)S1	REAL300007111635	1	40	0.0	-69.14	340.05	7.46	-61.68
O=C([O-])C1=COC2=C1NC(C(=O)NCC1CCCC3=[NH+]C=CN31)=C2	REAL300007111636	1	40	0.0	-58.32	331.21	6.46	-51.86
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111637	1	42	0.0	-75.12	324.84	8.87	-66.25
O=C(C=CC1=CC=C(C(=O)[O-])N=C1)NCC1CCCC2=[NH+]C=CN21	REAL300007111638	1	42	0.0	-73.88	344.98	7.72	-66.16
O=C([O-])C1=CSC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111639	1	36	0.0	-72.63	307.91	7.31	-65.32
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111640	1	44	0.0	-65.93	335.06	6.49	-59.44
O=C([O-])C1=CC=CC2=C(C(=O)NCC3CCCC4=[NH+]C=CN43)C=CC=C12	REAL300007111641	1	45	0.0	-74.68	350.69	10.38	-64.30
CC(C)[C@]1(C(=O)NCC2CCCC3=[NH+]C=CN32)C[C@H]1C(=O)[O-]	REAL300007111642	1	45	0.0	-42.61	336.86	8.15	-34.46
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007111643	1	45	0.0	-82.59	356.06	9.44	-73.15
O=C([O-])C1=CSC(CC(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007111644	1	39	0.0	-78.46	330.90	8.12	-70.34
O=C([O-])C1=CC=C(CC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1F	REAL300007111645	1	42	0.0	-84.54	343.90	9.01	-75.53
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC2CCCC3=[NH+]C=CN32)S1	REAL300007111646	1	46	0.0	-59.85	363.70	9.85	-50.00
O=C([O-])C12CCC(C(=O)NCC3CCCC4=[NH+]C=CN43)(CC1)CC2	REAL300007111647	1	49	0.0	-69.94	355.76	9.14	-60.80
CCC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300007111715	0	46	0.0	-47.97	358.99	8.86	-39.11
CCC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300007111715	1	46	0.0	-47.67	365.17	8.88	-38.79
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C3CCCCC3=C2F)C1	REAL300007111834	0	50	0.0	-47.76	383.93	9.89	-37.87
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C3CCCCC3=C2F)C1	REAL300007111834	1	50	0.0	-48.18	377.75	9.87	-38.31
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@@H]2C[C@]23CCCC2=CC=CC=C23)C1	REAL300007111964	0	54	0.0	-49.80	405.03	10.97	-38.83
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@@H]2C[C@]23CCCC2=CC=CC=C23)C1	REAL300007111964	1	54	0.0	-46.94	397.53	10.51	-36.43
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CCCF)CC2)C1	REAL300007112060	0	49	0.0	-48.26	362.12	9.69	-38.57
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CCCF)CC2)C1	REAL300007112060	1	49	0.0	-47.50	361.68	9.68	-37.82
O=C([O-])C1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C12CCOCC2	REAL300007113026	0	58	0.0	-87.28	408.45	10.92	-76.36
O=C([O-])C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C12CCOCC2	REAL300007114248	0	52	0.0	-78.37	355.11	8.55	-69.82
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(=O)[O-])C34CCOCC4)CN12	REAL300007114273	1	50	0.0	-72.03	350.79	8.29	-63.74
CC(C(=O)N1CCC(C(=O)[O-])C12CCOCC2)N1CC[NH+](C)CC1	REAL300007114339	1	53	0.0	-78.70	361.66	5.70	-73.00
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114372	0	48	0.0	-73.80	326.55	7.30	-66.50
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114372	1	48	0.0	-76.25	315.46	6.71	-69.54
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007114443	0	48	0.0	-84.36	328.02	7.24	-77.12
O=C([O-])C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C12CCOCC2	REAL300007114467	0	43	0.0	-76.60	314.03	8.96	-67.64
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CCCCC1	REAL300007114495	0	57	0.0	-73.83	358.50	8.55	-65.28
C[N@H+](CCC(=O)N1CCC(C(=O)[O-])C12CCOCC2)C1CCCCC1	REAL300007114499	0	57	0.0	-81.53	386.10	9.47	-72.06
C[N@@H+](CCC(=O)N1CCC(C(=O)[O-])C12CCOCC2)C1CCCCC1	REAL300007114499	1	57	0.0	-82.39	386.43	9.49	-72.90
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007114556	0	48	0.0	-84.36	328.02	7.24	-77.12
O=C([O-])C1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C12CCOCC2	REAL300007114559	0	51	0.0	-78.95	372.18	8.07	-70.88
O=C([O-])C1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C12CCOCC2	REAL300007114574	0	59	0.0	-77.30	387.96	7.57	-69.73
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114603	1	49	0.0	-75.74	358.98	8.78	-66.96
O=C([O-])C1CCN(C(=O)CCCC[NH+]2CCOCC2)C12CCOCC2	REAL300007114604	1	55	0.0	-81.67	385.95	7.48	-74.19
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C=C1)C(C)C	REAL300007114606	0	60	0.0	-82.94	401.10	10.25	-72.69
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C=C1)C(C)C	REAL300007114606	1	60	0.0	-80.67	400.55	10.11	-70.56
O=C([O-])C1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C12CCOCC2	REAL300007114644	0	55	0.0	-82.08	389.54	10.15	-71.93
O=C([O-])C1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C12CCOCC2	REAL300007114644	1	55	0.0	-83.26	388.61	10.08	-73.18
O=C([O-])C1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C12CCOCC2	REAL300007114645	0	56	0.0	-87.13	389.56	9.58	-77.55
O=C([O-])C1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C12CCOCC2	REAL300007114670	0	59	0.0	-81.87	383.73	7.49	-74.38
CCC(C(=O)N1CCC(C(=O)[O-])C12CCOCC2)[NH+](CC)CC	REAL300007114674	0	53	0.0	-70.80	346.96	7.77	-63.03
CC(C(=O)N1CCC(C(=O)[O-])C12CCOCC2)[N@H+](C)CC1=CC=CC=C1	REAL300007114676	0	54	0.0	-78.32	379.65	9.76	-68.56
CC(C(=O)N1CCC(C(=O)[O-])C12CCOCC2)[N@@H+](C)CC1=CC=CC=C1	REAL300007114676	1	54	0.0	-80.16	379.68	9.72	-70.44
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C=N1	REAL300007114696	0	50	0.0	-80.87	355.97	6.98	-73.89
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114702	0	59	0.0	-79.45	409.93	10.10	-69.35
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114712	1	49	0.0	-71.67	349.65	8.56	-63.11
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C12CCOCC2	REAL300007114727	0	55	0.0	-81.98	385.34	10.02	-71.96
O=C([O-])C1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C12CCOCC2	REAL300007114733	0	58	0.0	-78.64	401.67	10.73	-67.91
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007114738	0	48	0.0	-72.17	337.49	7.53	-64.64
C[NH+](C)CCCCC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114746	0	50	0.0	-79.57	353.05	8.02	-71.55
CC1=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C=NN1C1=CC=[NH+]C=C1	REAL300007114767	1	49	0.0	-83.76	358.26	7.31	-76.45
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C12CCOCC2	REAL300007114770	0	58	0.0	-82.55	402.67	10.75	-71.80
O=C([O-])C1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C12CCOCC2	REAL300007114782	1	51	0.0	-80.17	369.02	8.30	-71.87
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C=C1	REAL300007114783	0	54	0.0	-85.03	382.36	9.71	-75.32
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114789	1	47	0.0	-69.57	336.25	6.48	-63.09
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCOCC2)C1CCC1	REAL300007114810	0	48	0.0	-75.90	333.20	7.73	-68.17
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCOCC2)C1CCC1	REAL300007114810	1	48	0.0	-77.65	333.48	7.71	-69.94
CC(C(=O)N1CCC(C(=O)[O-])C12CCOCC2)[NH+]1CCSCC1	REAL300007114830	1	49	0.0	-78.36	338.47	7.45	-70.91
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCOCC2)CC(C)(C)C	REAL300007114836	0	53	0.0	-78.16	357.26	8.33	-69.83
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCOCC2)CC(C)(C)C	REAL300007114836	1	53	0.0	-79.41	357.72	8.32	-71.09
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114838	0	54	0.0	-83.26	386.47	10.18	-73.08
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114838	1	54	0.0	-84.70	386.68	10.17	-74.53
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114839	0	58	0.0	-81.02	415.66	6.53	-74.49
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114839	1	58	0.0	-82.87	416.19	6.52	-76.35
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007114843	0	52	0.0	-73.18	346.88	5.45	-67.73
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007114843	1	52	0.0	-80.05	345.05	5.59	-74.46
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114855	0	56	0.0	-81.88	391.27	9.50	-72.38
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114855	1	56	0.0	-81.84	391.08	9.50	-72.34
O=C([O-])C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C12CCOCC2	REAL300007114869	1	43	0.0	-81.39	314.24	8.98	-72.41
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCOCC2)C1CCSC1	REAL300007114880	0	49	0.0	-86.12	347.04	7.98	-78.14
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCOCC2)C1CCSC1	REAL300007114880	1	49	0.0	-84.05	346.64	8.02	-76.03
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007114894	0	59	0.0	-75.40	402.99	7.07	-68.33
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007114895	0	62	0.0	-73.80	419.42	7.50	-66.30
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007114895	1	62	0.0	-80.55	420.85	7.66	-72.89
O=C([O-])C1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C12CCOCC2	REAL300007114896	0	52	0.0	-69.10	347.83	8.31	-60.79
O=C([O-])C1CCN(C(=O)C2CCCC3CCC[N@H+]32)C12CCOCC2	REAL300007114896	1	52	0.0	-75.93	342.91	8.10	-67.83
C[NH+](C)CCN1C=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C=N1	REAL300007114898	0	51	0.0	-84.65	366.82	7.03	-77.62
O=C([O-])C1CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C12CCOCC2	REAL300007114903	0	57	0.0	-84.57	399.48	8.99	-75.58
O=C([O-])C1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C12CCOCC2	REAL300007114903	1	57	0.0	-82.55	399.04	8.90	-73.65
CC(C(=O)N1CCC(C(=O)[O-])C12CCOCC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007114908	0	55	0.0	-79.30	378.73	9.99	-69.31
CC(C(=O)N1CCC(C(=O)[O-])C12CCOCC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300007114908	1	55	0.0	-79.04	384.25	10.15	-68.89
O=C([O-])C1CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C12CCOCC2	REAL300007114927	0	58	0.0	-85.11	412.60	11.05	-74.06
O=C([O-])C1CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C12CCOCC2	REAL300007114927	1	58	0.0	-85.29	412.72	11.04	-74.25
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)=N1	REAL300007114940	0	51	0.0	-85.10	369.52	7.64	-77.46
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114941	0	51	0.0	-68.48	361.83	6.96	-61.52
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC[N@@H+]1C	REAL300007114943	0	48	0.0	-82.59	320.66	6.75	-75.84
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC[N@H+]1C	REAL300007114943	1	48	0.0	-83.19	329.19	7.14	-76.05
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114944	1	52	0.0	-72.00	373.38	9.01	-62.99
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC[N@@H+]1C	REAL300007114947	0	51	0.0	-79.90	340.54	7.33	-72.57
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC[N@H+]1C	REAL300007114947	1	51	0.0	-79.39	346.23	7.64	-71.75
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)=NN1	REAL300007114949	1	52	0.0	-82.63	370.61	7.18	-75.45
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)=NN1	REAL300007114949	1	52	0.0	-81.82	371.07	7.17	-74.65
CC1C[N@H+](C)CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)O1	REAL300007114955	1	49	0.0	-83.05	335.13	5.99	-77.06
CC1C[N@@H+](C)CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)O1	REAL300007114955	1	49	0.0	-88.24	341.68	6.32	-81.92
CC1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114962	1	43	0.0	-74.79	316.32	7.44	-67.35
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007114964	1	52	0.0	-81.21	355.43	6.37	-74.84
CC1CC[NH+](CC(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007114979	0	51	0.0	-80.52	349.89	8.24	-72.28
CC[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007114990	1	49	0.0	-79.69	338.66	6.31	-73.38
CC[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007114990	1	49	0.0	-72.26	331.23	6.09	-66.17
O=C([O-])C1CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C12CCOCC2	REAL300007115021	0	58	0.0	-80.83	391.42	9.61	-71.22
O=C([O-])C1CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C12CCOCC2	REAL300007115021	1	58	0.0	-80.94	390.70	9.61	-71.33
C[N@@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007115028	0	51	0.0	-81.16	351.35	8.22	-72.94
C[N@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007115028	1	51	0.0	-78.54	349.65	7.91	-70.63
O=C([O-])C1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C12CCOCC2	REAL300007115039	0	52	0.0	-74.77	346.50	8.13	-66.64
O=C([O-])C1CCN(C(=O)C2CCC3CCCC[N@H+]32)C12CCOCC2	REAL300007115039	1	52	0.0	-71.15	350.77	8.55	-62.60
CC(C)[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007115059	0	54	0.0	-80.82	362.88	8.36	-72.46
O=C([O-])C1CCN(C(=O)C23CC[NH+](CC2)C3)C12CCOCC2	REAL300007115125	0	46	0.0	-81.36	312.64	6.11	-75.25
O=C([O-])C1CCN(C(=O)C23CC[N@H+](C2)CCC3)C12CCOCC2	REAL300007115134	0	49	0.0	-80.08	319.58	6.65	-73.43
O=C([O-])C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C12CCOCC2	REAL300007115134	1	49	0.0	-79.79	320.66	6.68	-73.11
CC1CCC(C)[NH+]1CC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007115172	0	51	0.0	-74.00	343.72	7.74	-66.26
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)=C1	REAL300007115173	0	51	0.0	-80.05	360.14	8.89	-71.16
O=C([O-])C1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C12CCOCC2	REAL300007115174	0	58	0.0	-78.78	397.67	10.91	-67.87
O=C([O-])C1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C12CCOCC2	REAL300007115174	1	58	0.0	-78.95	398.11	10.83	-68.12
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007115228	0	50	0.0	-84.39	357.39	8.61	-75.78
CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007115230	0	56	0.0	-76.88	386.25	6.55	-70.33
CCN1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007115230	1	56	0.0	-81.41	385.79	6.51	-74.90
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007115235	1	52	0.0	-73.06	373.47	9.04	-64.02
CC[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCOCC2)C1CC1	REAL300007115241	0	48	0.0	-75.28	335.90	7.79	-67.49
CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCOCC2)C1CC1	REAL300007115241	1	48	0.0	-76.04	333.85	7.77	-68.27
CC(C(=O)N1CCC(C(=O)[O-])C12CCOCC2)[NH+]1CCCCCC1	REAL300007115268	0	54	0.0	-74.01	353.80	8.14	-65.87
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])C34CCOCC4)=CC=C1N2	REAL300007115306	1	56	0.0	-82.59	394.74	9.29	-73.30
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])C34CCOCC4)=CC=C1N2	REAL300007115306	1	56	0.0	-82.55	396.14	9.32	-73.23
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)O1	REAL300007115344	0	54	0.0	-77.36	384.77	9.15	-68.21
O=C([O-])C1CCN(C(=O)CCCC[NH+]2CCCC2)C12CCOCC2	REAL300007115345	0	54	0.0	-79.80	377.51	9.08	-70.72
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])C34CCOCC4)CC2)[NH+]=C1	REAL300007115347	1	57	0.0	-76.01	397.44	8.65	-67.36
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCOCC2)CC1=CC=CC=C1	REAL300007115348	1	51	0.0	-85.02	364.21	9.33	-75.69
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCOCC2)CC1=CC=CC=C1	REAL300007115348	1	51	0.0	-84.79	364.07	9.33	-75.46
O=C([O-])C1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C12CCOCC2	REAL300007115373	1	46	0.0	-83.34	341.80	6.97	-76.37
C[NH+](C)CC1=CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)=NO1	REAL300007115395	1	47	0.0	-83.44	343.03	7.08	-76.36
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007115399	0	58	0.0	-82.24	406.30	11.01	-71.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007115399	1	58	0.0	-82.31	409.79	10.73	-71.58
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007115412	0	51	0.0	-72.25	328.22	7.82	-64.43
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])C12CCOCC2	REAL300007115412	1	51	0.0	-72.78	349.63	7.82	-64.96
C[NH+]1CCC(OCC(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007115432	0	52	0.0	-81.86	367.96	7.51	-74.35
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C12CCOCC2	REAL300007115437	0	55	0.0	-79.52	389.98	9.52	-70.00
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007115585	0	54	0.0	-80.13	370.27	8.72	-71.41
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007115585	1	54	0.0	-78.95	369.55	8.72	-70.23
O=C([O-])C1CCN(C(=O)C[NH+]2CCC(CO)CC2)C12CCOCC2	REAL300007115610	0	52	0.0	-83.45	361.14	4.96	-78.49
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007115791	0	54	0.0	-71.26	355.59	8.58	-62.68
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007115791	1	54	0.0	-76.93	362.33	8.36	-68.57
C[N@@H+]1CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C(C(F)(F)F)C1	REAL300007115792	0	48	0.0	-91.02	330.64	7.05	-83.97
C[N@H+]1CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C(C(F)(F)F)C1	REAL300007115792	1	48	0.0	-78.99	338.87	7.08	-71.91
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(=O)[O-])C23CCOCC3)N1	REAL300007115816	1	49	0.0	-74.63	358.15	7.15	-67.48
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)=C1	REAL300007116208	0	54	0.0	-79.20	382.60	9.72	-69.48
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C=C1	REAL300007116215	0	55	0.0	-81.01	391.21	8.72	-72.29
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007116329	0	48	0.0	-81.45	337.08	7.55	-73.90
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)[O-])C23CCOCC3)CC1	REAL300007116333	0	54	0.0	-71.05	355.29	8.21	-62.84
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C(=O)[O-])C34CCOCC4)=CN21	REAL300007116337	0	46	0.0	-72.30	335.41	8.74	-63.56
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007116388	0	57	0.0	-75.80	375.08	9.26	-66.54
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007116388	1	57	0.0	-80.66	389.05	9.50	-71.16
CC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007116389	0	51	0.0	-79.46	347.43	7.96	-71.50
CC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007116389	1	51	0.0	-78.05	345.39	7.83	-70.22
C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007116393	0	48	0.0	-81.27	329.77	7.28	-73.99
C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C1	REAL300007116393	1	48	0.0	-75.11	321.58	7.26	-67.85
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)O1	REAL300007116395	1	48	0.0	-80.60	349.45	7.75	-72.85
O=C([O-])C1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C12CCOCC2	REAL300007116403	0	50	0.0	-70.47	347.94	8.47	-62.00
O=C([O-])C1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C12CCOCC2	REAL300007116403	1	50	0.0	-71.96	338.16	8.61	-63.35
COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=N1	REAL300007116466	0	46	0.0	-45.78	356.57	5.34	-40.44
COCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=N1	REAL300007116466	1	46	0.0	-45.01	356.42	6.03	-38.98
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=COC3=CC=C(F)C=C23)C1	REAL300007116576	0	43	0.0	-50.81	351.03	7.85	-42.96
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=COC3=CC=C(F)C=C23)C1	REAL300007116576	1	43	0.0	-50.09	344.84	7.83	-42.26
CCC(C)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300007116700	0	52	0.0	-46.16	389.17	9.99	-36.17
CCC(C)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300007116700	1	52	0.0	-44.50	387.26	9.55	-34.95
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(C(F)(F)F)=CS2)C1	REAL300007116825	0	40	0.0	-49.74	346.87	7.56	-42.18
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(C(F)(F)F)=CS2)C1	REAL300007116825	1	40	0.0	-48.28	340.62	7.52	-40.76
C[C@@H]1C[C@@H](CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300007116920	0	47	0.0	-47.71	346.09	7.65	-40.06
C[C@@H]1C[C@@H](CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300007116920	1	47	0.0	-50.83	353.69	8.08	-42.75
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=N1	REAL300007117020	0	46	0.0	-49.44	354.90	4.86	-44.58
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=N1	REAL300007117020	1	46	0.0	-52.17	361.64	4.89	-47.28
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3CCCCC3)C2)C1	REAL300007117138	0	54	0.0	-44.30	379.21	8.61	-35.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3CCCCC3)C2)C1	REAL300007117138	1	54	0.0	-47.46	386.71	9.08	-38.38
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CCC(F)(F)F)CC2)C1	REAL300007117263	0	49	0.0	-45.86	365.74	9.46	-36.40
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CCC(F)(F)F)CC2)C1	REAL300007117263	1	49	0.0	-49.41	373.24	9.92	-39.49
CCCSC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300007117391	0	47	0.0	-51.03	373.12	9.96	-41.07
CCCSC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300007117391	1	47	0.0	-53.27	367.93	9.97	-43.30
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1(CC2CC2)CCCC1	REAL300007117535	0	53	0.0	-47.52	387.75	9.94	-37.58
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1(CC2CC2)CCCC1	REAL300007117535	1	53	0.0	-46.46	377.90	10.04	-36.42
CC1=CN2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=N1	REAL300007117615	0	44	0.0	-51.86	335.61	8.08	-43.78
CC1=CN2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=N1	REAL300007117615	1	44	0.0	-52.88	335.51	8.09	-44.79
COC1=CC=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1F	REAL300007117720	0	47	0.0	-52.16	366.76	7.52	-44.64
COC1=CC=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1F	REAL300007117720	1	47	0.0	-53.77	372.97	7.54	-46.23
C[C@@H]1C[C@@H](CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS1(=O)=O	REAL300007117846	0	49	0.0	-58.15	363.56	3.96	-54.19
C[C@@H]1C[C@@H](CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCS1(=O)=O	REAL300007117846	1	49	0.0	-57.93	363.65	3.94	-53.99
CC1(C(F)(F)F)CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007117974	0	46	0.0	-51.38	339.75	9.08	-42.30
CC1(C(F)(F)F)CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007117974	1	46	0.0	-46.25	338.48	8.63	-37.62
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC(Cl)=CC=C2F)C1	REAL300007118089	0	47	0.0	-48.74	378.10	11.38	-37.36
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC(Cl)=CC=C2F)C1	REAL300007118089	1	47	0.0	-49.54	371.94	11.35	-38.19
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2CN2C=CN=N2)C1	REAL300007118191	0	49	0.0	-56.44	360.11	7.80	-48.64
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2CN2C=CN=N2)C1	REAL300007118191	1	49	0.0	-51.46	353.84	7.76	-43.70
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)[C@@H](C)CC1=CC=C(F)C=C1F	REAL300007118296	0	52	0.0	-47.96	396.22	12.06	-35.90
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)[C@@H](C)CC1=CC=C(F)C=C1F	REAL300007118296	1	52	0.0	-44.80	388.54	12.04	-32.76
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CC(C)(C)O[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007118708	1	56	0.0	-47.44	402.06	8.29	-39.15
CC(C)(C)O[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007118811	0	56	0.0	-46.85	402.28	8.28	-38.57
CC(C)(C)O[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007118811	1	56	0.0	-46.23	395.91	8.32	-37.91
CC(C)(C)CCC1=NC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=N1	REAL300007118923	0	60	0.0	-52.93	443.03	10.66	-42.27
CC(C)(C)CCC1=NC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=N1	REAL300007118923	1	60	0.0	-54.33	442.93	10.68	-43.65
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3=C2C=NN3C2CCCC2)C1	REAL300007119044	0	57	0.0	-51.42	421.86	9.72	-41.70
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CC1(C)C(C(=O)[O-])CCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007120171	0	53	0.0	-77.30	390.13	11.27	-66.03
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(=O)[O-])C3(C)C)CN12	REAL300007121459	1	45	0.0	-64.39	332.45	8.57	-55.82
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C(=O)[O-])C3(C)C)CC2)=CS1	REAL300007121511	1	52	0.0	-76.32	397.54	9.03	-67.29
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])C2(C)C)C=C1	REAL300007121573	0	56	0.0	-74.72	421.00	10.86	-63.86
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)=C1	REAL300007121579	0	56	0.0	-76.49	419.91	12.82	-63.67
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)=C1	REAL300007121579	1	56	0.0	-85.47	419.87	12.84	-72.63
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])C2(C)C)CCCCC1	REAL300007121647	0	52	0.0	-73.74	343.43	9.18	-64.56
C[N@H+](CCC(=O)N1CCC(C(=O)[O-])C1(C)C)C1CCCCC1	REAL300007121649	0	52	0.0	-71.49	367.26	9.77	-61.72
C[N@@H+](CCC(=O)N1CCC(C(=O)[O-])C1(C)C)C1CCCCC1	REAL300007121649	1	52	0.0	-71.71	367.26	9.77	-61.94
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007121708	0	46	0.0	-76.17	351.73	8.30	-67.87
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007121727	0	54	0.0	-77.27	374.30	8.07	-69.20
CC1(C)C(C(=O)[O-])CCN1C(=O)CCCC[NH+]1CCOCC1	REAL300007121751	1	50	0.0	-74.73	365.20	7.71	-67.02
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)C=C1)C(C)C	REAL300007121752	0	55	0.0	-76.01	385.17	10.60	-65.41
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)C=C1)C(C)C	REAL300007121752	1	55	0.0	-76.67	382.41	10.38	-66.29
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007121769	0	50	0.0	-71.59	372.01	10.54	-61.05
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007121769	1	50	0.0	-72.49	371.89	10.51	-61.98
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007121770	0	51	0.0	-76.71	366.83	9.61	-67.10
CC1(C)C(C(=O)[O-])CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007121792	0	54	0.0	-70.90	364.31	8.01	-62.89
CC(C(=O)N1CCC(C(=O)[O-])C1(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300007121795	0	49	0.0	-66.91	362.38	10.09	-56.82
CC(C(=O)N1CCC(C(=O)[O-])C1(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300007121795	1	49	0.0	-66.15	360.29	10.02	-56.13
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300007121803	0	56	0.0	-75.62	412.74	12.10	-63.52
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300007121803	1	56	0.0	-73.31	408.23	11.95	-61.36
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)C=N1	REAL300007121820	0	45	0.0	-77.69	339.34	7.77	-69.92
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])C1(C)C	REAL300007121827	0	54	0.0	-71.61	387.01	10.07	-61.54
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007121845	0	50	0.0	-79.88	367.52	10.34	-69.54
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007121850	0	53	0.0	-71.99	384.79	11.08	-60.91
CCC(C(=O)N1CCC(C(=O)[O-])C1(C)C)[N@@H+]1CCOC(CC)C1	REAL300007121853	1	53	0.0	-66.01	366.19	8.13	-57.88
CCC(C(=O)N1CCC(C(=O)[O-])C1(C)C)[N@H+]1CCOC(CC)C1	REAL300007121853	1	53	0.0	-63.10	365.60	8.07	-55.03
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C(=O)[O-])C3(C)C)CC2)CC1	REAL300007121856	0	61	0.0	-73.98	420.82	8.79	-65.19
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])C3(C)C)C=C2)CC(C)O1	REAL300007121863	1	57	0.0	-82.63	415.57	10.03	-72.60
CC1(C)C(C(=O)[O-])CCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007121872	1	54	0.0	-81.52	396.48	10.59	-70.93
CC1(C)C(C(=O)[O-])CCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007121872	1	54	0.0	-81.29	396.46	10.59	-70.70
CC1=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300007121886	1	44	0.0	-77.62	339.24	7.67	-69.95
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007121889	0	53	0.0	-79.58	382.28	11.00	-68.58
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007121900	1	46	0.0	-74.86	349.42	8.48	-66.38
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)C=C1	REAL300007121901	0	49	0.0	-81.41	363.22	9.98	-71.43
CC(C(=O)N1CCC(C(=O)[O-])C1(C)C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007121914	0	59	0.0	-64.02	423.74	12.52	-51.50
CC(C(=O)N1CCC(C(=O)[O-])C1(C)C)[NH+]1CCSCC1	REAL300007121936	1	44	0.0	-66.93	319.96	7.79	-59.14
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])C1(C)C	REAL300007121943	0	49	0.0	-70.47	366.07	10.52	-59.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])C1(C)C	REAL300007121943	1	49	0.0	-70.44	366.07	10.52	-59.92
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])C1(C)C	REAL300007121944	0	53	0.0	-71.26	397.12	6.81	-64.45
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])C1(C)C	REAL300007121944	1	53	0.0	-71.65	395.11	6.75	-64.90
CC1(C)C(C(=O)[O-])CCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007121951	0	58	0.0	-75.96	421.24	10.25	-65.71
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C1(C)C)C1CCSC1	REAL300007121973	0	44	0.0	-72.11	328.20	8.40	-63.71
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C1(C)C)C1CCSC1	REAL300007121973	1	44	0.0	-72.47	328.18	8.36	-64.11
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])C2(C)C)CC1	REAL300007121983	0	54	0.0	-71.64	377.18	6.90	-64.74
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])C2(C)C)CC1	REAL300007121984	0	57	0.0	-68.98	405.70	8.16	-60.82
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])C2(C)C)CC1	REAL300007121984	1	57	0.0	-71.76	400.10	7.88	-63.88
C[NH+](C)CCN1C=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)C=N1	REAL300007121986	0	46	0.0	-79.12	347.76	7.25	-71.87
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C(=O)[O-])C3(C)C)CC2)=C1	REAL300007121989	0	58	0.0	-75.70	423.06	10.18	-65.52
CC1(C)C(C(=O)[O-])CCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007121991	0	55	0.0	-75.13	399.73	9.46	-65.67
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300007121994	0	52	0.0	-80.82	374.77	9.32	-71.50
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300007121994	1	52	0.0	-71.45	375.41	9.61	-61.84
CC(C(=O)N1CCC(C(=O)[O-])C1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007121999	0	50	0.0	-65.90	366.23	10.47	-55.43
CC(C(=O)N1CCC(C(=O)[O-])C1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300007121999	1	50	0.0	-67.71	365.65	10.41	-57.30
CC(C(=O)N1CCC(C(=O)[O-])C1(C)C)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300007122001	1	55	0.0	-69.16	400.53	9.27	-59.89
CC1(C)C(C(=O)[O-])CCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007122018	0	53	0.0	-75.79	393.69	11.38	-64.41
CC1(C)C(C(=O)[O-])CCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007122018	1	53	0.0	-75.90	394.56	11.39	-64.51
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)=N1	REAL300007122029	0	46	0.0	-83.02	350.54	7.87	-75.15
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])C1(C)C	REAL300007122030	0	46	0.0	-61.06	343.11	7.33	-53.73
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])C1(C)C	REAL300007122031	1	47	0.0	-64.21	354.80	9.40	-54.81
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)=NN1	REAL300007122034	1	47	0.0	-77.83	351.87	7.44	-70.39
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)=NN1	REAL300007122034	1	47	0.0	-75.84	347.01	6.92	-68.92
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300007122042	0	53	0.0	-80.83	386.26	11.15	-69.68
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300007122042	1	53	0.0	-68.43	386.88	11.50	-56.93
CC1(C)C(C(=O)[O-])CCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300007122046	0	54	0.0	-75.73	399.41	8.93	-66.80
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007122082	0	53	0.0	-69.40	370.70	9.94	-59.46
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007122082	1	53	0.0	-68.85	372.49	9.95	-58.90
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(C(=O)[O-])C3(C)C)=C2)CC1	REAL300007122107	0	55	0.0	-77.49	401.82	8.65	-68.84
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C(=O)[O-])C3(C)C)C=C2)CC1	REAL300007122108	0	55	0.0	-76.55	398.48	8.38	-68.17
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])C3(C)C)C=C2)CC1	REAL300007122108	1	55	0.0	-80.51	398.82	8.45	-72.06
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)C=C1	REAL300007122109	0	56	0.0	-76.72	404.97	10.27	-66.45
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007122186	0	57	0.0	-82.80	415.95	8.35	-74.45
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)=C1	REAL300007122190	0	46	0.0	-73.71	343.23	9.22	-64.49
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007122191	0	53	0.0	-69.67	385.59	11.07	-58.60
CC1(C)C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007122191	1	53	0.0	-71.18	390.01	11.21	-59.97
CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])C2(C)C)CC1	REAL300007122232	0	51	0.0	-72.83	364.38	6.62	-66.21
CCN1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])C2(C)C)CC1	REAL300007122232	1	51	0.0	-71.35	367.46	6.83	-64.52
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])C1(C)C	REAL300007122238	1	47	0.0	-63.66	354.26	9.33	-54.33
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])C3(C)C)=CC=C1N2	REAL300007122285	1	51	0.0	-83.74	378.41	9.63	-74.11
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])C3(C)C)=CC=C1N2	REAL300007122285	1	51	0.0	-77.25	378.35	9.62	-67.63
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)O1	REAL300007122325	0	49	0.0	-75.22	361.63	9.10	-66.12
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])C3(C)C)CC2)[NH+]=C1	REAL300007122326	1	52	0.0	-68.96	383.16	9.12	-59.84
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C1(C)C)CC1=CC=CC=C1	REAL300007122327	1	46	0.0	-70.80	343.59	9.68	-61.12
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C1(C)C)CC1=CC=CC=C1	REAL300007122327	1	46	0.0	-71.60	345.55	9.72	-61.88
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])C3(C)C)C=C2)CC1	REAL300007122330	0	58	0.0	-78.77	408.92	9.51	-69.26
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007122339	1	41	0.0	-77.78	322.72	7.19	-70.59
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])C1(C)C	REAL300007122366	0	53	0.0	-72.42	390.01	11.19	-61.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])C1(C)C	REAL300007122366	1	53	0.0	-78.32	391.76	11.08	-67.24
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])C2(C)C)C=C1	REAL300007122383	0	54	0.0	-78.05	408.46	10.57	-67.48
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007122397	0	50	0.0	-75.75	370.95	9.79	-65.96
C[N@@H+]1CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)C(C(F)(F)F)C1	REAL300007122691	0	43	0.0	-68.56	333.18	7.84	-60.72
C[N@H+]1CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)C(C(F)(F)F)C1	REAL300007122691	1	43	0.0	-69.04	328.86	7.75	-61.29
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)=C1	REAL300007123031	0	49	0.0	-75.06	365.71	10.07	-64.99
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)C=C1	REAL300007123036	0	50	0.0	-78.20	370.65	8.93	-69.27
CC1(C)C(C(=O)[O-])CCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007123108	0	56	0.0	-72.82	406.64	12.06	-60.76
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])C3(C)C)C=C2)CCO1	REAL300007123110	1	54	0.0	-81.49	390.57	9.40	-72.09
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])C3(C)C)C=C2)CCO1	REAL300007123110	1	54	0.0	-81.95	388.98	9.34	-72.61
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C(=O)[O-])C3(C)C)=CN21	REAL300007123134	0	41	0.0	-66.92	315.34	9.00	-57.92
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C2(C)C)C1	REAL300007123171	0	52	0.0	-64.53	356.67	9.71	-54.82
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C2(C)C)C1	REAL300007123171	1	52	0.0	-63.28	357.56	9.70	-53.58
O=C([O-])C1CCC[N@H+](CC(=O)NCC2COCC3=CC=CC=C32)C1	REAL300007123260	0	48	0.0	-48.00	356.30	6.91	-41.09
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2COCC3=CC=CC=C32)C1	REAL300007123260	1	48	0.0	-50.28	358.23	7.34	-42.94
COC1=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1O	REAL300007123416	0	52	0.0	-57.38	401.47	5.18	-52.20
COC1=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1O	REAL300007123416	1	52	0.0	-54.06	400.32	4.74	-49.32
COC1=CC=C2C(CC(C)(C)NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CNC2=C1	REAL300007123529	0	57	0.0	-52.58	415.86	8.27	-44.31
COC1=CC=C2C(CC(C)(C)NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CNC2=C1	REAL300007123529	1	57	0.0	-53.26	415.98	8.31	-44.95
CC1=NC(C)=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N=C1C	REAL300007123640	0	47	0.0	-48.47	356.38	5.31	-43.16
CC1=NC(C)=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N=C1C	REAL300007123640	1	47	0.0	-50.92	363.26	5.35	-45.57
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=CC=C2)CC1	REAL300007123763	0	55	0.0	-48.00	400.97	9.76	-38.24
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=CC=C2)CC1	REAL300007123763	1	55	0.0	-48.61	394.77	9.80	-38.81
CC1=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)OC2=CC=C(Cl)C=C12	REAL300007123894	0	46	0.0	-47.76	375.53	9.04	-38.72
CC1=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)OC2=CC=C(Cl)C=C12	REAL300007123894	1	46	0.0	-50.94	380.85	9.04	-41.90
CCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCCC1	REAL300007124013	0	55	0.0	-46.23	365.20	8.94	-37.29
CCC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCCC1	REAL300007124013	1	55	0.0	-47.01	371.41	8.96	-38.05
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C(F)F)=C2)C1	REAL300007124127	0	40	0.0	-50.26	316.91	8.18	-42.08
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C(F)F)=C2)C1	REAL300007124127	1	40	0.0	-52.75	324.10	8.23	-44.52
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2CC2)C2=CC=CC=N2)C1	REAL300007124224	0	49	0.0	-47.23	377.66	8.57	-38.66
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2CC2)C2=CC=CC=N2)C1	REAL300007124224	1	49	0.0	-45.01	371.39	8.54	-36.47
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C(F)(F)F)CC2)C1	REAL300007124338	0	46	0.0	-50.64	347.18	9.45	-41.19
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C(F)(F)F)CC2)C1	REAL300007124338	1	46	0.0	-46.62	339.52	8.99	-37.63
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@@H]3CC[C@@]2(CO)C3)C1	REAL300007124464	0	48	0.0	-49.40	350.03	5.28	-44.12
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@@H]3CC[C@@]2(CO)C3)C1	REAL300007124464	1	48	0.0	-50.32	350.62	5.30	-45.02
CC1CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS1(=O)=O	REAL300007124696	0	49	0.0	-59.93	371.87	4.57	-55.36
CC1CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCS1(=O)=O	REAL300007124696	1	49	0.0	-61.59	371.00	4.40	-57.19
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C(F)(F)F)CCCCC2)C1	REAL300007124825	0	49	0.0	-46.90	361.73	8.67	-38.23
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C(F)(F)F)CCCCC2)C1	REAL300007124825	1	49	0.0	-44.22	355.54	8.65	-35.57
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NOC(C3CCCC3)=C2)C1	REAL300007124953	0	49	0.0	-49.97	379.17	8.23	-41.74
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NOC(C3CCCC3)=C2)C1	REAL300007124953	1	49	0.0	-47.00	372.98	8.21	-38.79
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2COC[C@@H]2N2C=CN=C2)C1	REAL300007125085	0	45	0.0	-49.96	340.45	6.73	-43.23
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2COC[C@@H]2N2C=CN=C2)C1	REAL300007125085	1	45	0.0	-50.11	338.76	6.06	-44.05
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1(C2=CC=CS2)CCOCC1	REAL300007125306	0	51	0.0	-48.16	389.06	7.78	-40.38
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1(C2=CC=CS2)CCOCC1	REAL300007125306	1	51	0.0	-47.07	382.56	7.75	-39.32
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NOC(C3=CC=CC=C3F)=C2)C1	REAL300007125436	0	46	0.0	-50.37	378.96	8.58	-41.79
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NOC(C3=CC=CC=C3F)=C2)C1	REAL300007125436	1	46	0.0	-47.86	372.78	8.56	-39.30
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(Cl)=CS2)C1	REAL300007125536	0	37	0.0	-48.71	323.81	7.03	-41.68
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(Cl)=CS2)C1	REAL300007125536	1	37	0.0	-47.04	317.61	7.01	-40.03
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Cl)=CC=C2NC2=CC=CC=C2)C1	REAL300007125637	1	49	0.0	-50.93	387.45	10.43	-40.50
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Cl)=CC=C2NC2=CC=CC=C2)C1	REAL300007125637	1	49	0.0	-47.94	396.14	10.33	-37.61
CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300007126898	0	49	0.0	-85.82	401.54	8.69	-77.13
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300007127597	1	46	0.0	-75.05	383.84	8.11	-66.94
CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300007127597	1	46	0.0	-72.52	378.18	7.57	-64.95
CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300007128526	0	43	0.0	-79.15	349.87	6.33	-72.82
CC(NC(=O)C1CCC[N@@H+]1C1CC1)C1=NC(C(=O)[O-])=CS1	REAL300007128556	1	40	0.0	-75.55	333.37	5.56	-69.99
CC(NC(=O)C1CCC[N@H+]1C1CC1)C1=NC(C(=O)[O-])=CS1	REAL300007128556	1	40	0.0	-72.74	337.81	5.97	-66.77
CC1=[NH+]C=C2CCC(C(=O)NC(C)C3=NC(C(=O)[O-])=CS3)CN21	REAL300007128562	1	41	0.0	-72.95	348.08	6.19	-66.76
CC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300007128563	0	49	0.0	-73.48	404.76	8.64	-64.84
CC1=NC(C[NH+]2CCC(C(=O)NC(C)C3=NC(C(=O)[O-])=CS3)CC2)=CS1	REAL300007128641	1	48	0.0	-84.85	408.53	6.38	-78.47
CC(NC(=O)C(C)N1CC[NH+](C)CC1)C1=NC(C(=O)[O-])=CS1	REAL300007128642	1	44	0.0	-78.57	353.71	3.30	-75.27
CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300007128728	0	52	0.0	-82.72	434.51	8.21	-74.51
CC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300007128741	0	52	0.0	-71.96	414.18	9.10	-62.86
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=NC(C(=O)[O-])=CS1	REAL300007128799	0	34	0.0	-79.45	310.62	6.99	-72.46
CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NC(C(=O)[O-])=CS1	REAL300007128832	0	48	0.0	-71.80	364.91	7.11	-64.69
CC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=NC(C(=O)[O-])=CS1	REAL300007128837	0	48	0.0	-80.91	378.87	7.04	-73.87
CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NC(C(=O)[O-])=CS1	REAL300007128837	1	48	0.0	-80.92	378.87	7.03	-73.89
CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300007128913	0	42	0.0	-83.55	369.69	6.09	-77.46
CC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C1=NC(C(=O)[O-])=CS1	REAL300007128937	0	49	0.0	-70.86	377.32	7.24	-63.62
CC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C1=NC(C(=O)[O-])=CS1	REAL300007128937	1	49	0.0	-72.49	373.12	7.39	-65.10
CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300007128938	0	50	0.0	-85.42	392.19	5.74	-79.68
CC1=[NH+]C=CN1CCCC(=O)NC(C)C1=NC(C(=O)[O-])=CS1	REAL300007128969	1	40	0.0	-76.07	351.42	6.36	-69.71
CC(NC(=O)CCCC[NH+]1CCOCC1)C1=NC(C(=O)[O-])=CS1	REAL300007128970	1	46	0.0	-83.34	378.72	5.04	-78.30
CC[N@H+](CC1=CC=C(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)C=C1)C(C)C	REAL300007128972	0	51	0.0	-85.81	399.76	8.40	-77.41
CC[N@@H+](CC1=CC=C(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)C=C1)C(C)C	REAL300007128972	1	51	0.0	-85.05	398.74	8.31	-76.74
CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300007129006	0	46	0.0	-81.52	384.07	7.86	-73.66
CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300007129006	1	46	0.0	-80.54	385.46	7.95	-72.59
CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300007129007	0	47	0.0	-85.70	380.23	7.09	-78.61
CC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C1=NC(C(=O)[O-])=CS1	REAL300007129035	1	51	0.0	-74.66	413.86	6.77	-67.89
CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NC(C(=O)[O-])=CS1	REAL300007129036	0	50	0.0	-81.11	373.38	5.13	-75.98
CCC(C(=O)NC(C)C1=NC(C(=O)[O-])=CS1)[NH+](CC)CC	REAL300007129040	0	44	0.0	-71.16	346.72	5.82	-65.34
CC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129042	0	45	0.0	-79.06	375.58	7.45	-71.61
CC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129042	1	45	0.0	-79.69	375.21	7.44	-72.25
CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300007129052	0	52	0.0	-82.69	424.08	9.52	-73.17
CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300007129052	1	52	0.0	-73.88	417.87	9.72	-64.16
CC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129077	0	41	0.0	-84.96	354.41	5.47	-79.49
CCC[NH+](CCC)CCCC(=O)NC(C)C1=NC(C(=O)[O-])=CS1	REAL300007129086	0	50	0.0	-79.76	403.01	7.65	-72.11
CC[N@H+](C)C(C(=O)NC(C)C1=NC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300007129088	0	45	0.0	-75.30	373.86	7.58	-67.72
CC[N@@H+](C)C(C(=O)NC(C)C1=NC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300007129088	1	45	0.0	-72.80	368.02	7.44	-65.36
CC[NH+](CC)C(C(=O)NC(C)C1=NC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300007129092	0	48	0.0	-77.45	376.29	7.49	-69.96
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)C1=NC(C(=O)[O-])=CS1	REAL300007129100	1	40	0.0	-73.03	346.10	6.20	-66.83
CC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C1=NC(C(=O)[O-])=CS1	REAL300007129104	1	42	0.0	-81.21	371.91	7.47	-73.74
CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129117	0	46	0.0	-86.54	383.41	8.10	-78.44
CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129124	0	49	0.0	-80.99	400.17	8.80	-72.19
CCN1CCC([NH+]2CCC(C(=O)NC(C)C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300007129130	0	57	0.0	-81.23	431.35	6.18	-75.05
CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NC(C(=O)[O-])=CS1	REAL300007129150	1	50	0.0	-89.98	408.01	7.93	-82.05
CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NC(C(=O)[O-])=CS1	REAL300007129150	1	50	0.0	-89.98	408.08	7.93	-82.05
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129162	1	49	0.0	-73.66	389.70	8.44	-65.22
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129162	1	49	0.0	-73.68	389.65	8.44	-65.24
CC1=C(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)C=NN1C1=CC=[NH+]C=C1	REAL300007129164	1	40	0.0	-86.27	354.62	5.31	-80.96
CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129172	0	49	0.0	-86.02	400.16	8.81	-77.21
CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129185	1	42	0.0	-83.86	364.94	5.63	-78.23
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CC1=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300007153349	1	50	0.0	-73.03	405.87	10.79	-62.24
CC1=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300007153349	1	50	0.0	-72.95	405.66	10.78	-62.17
CC1=CC(CNC(=O)C2CC[NH+](C3CC3)CC2)=CC=C1C(=O)[O-]	REAL300007153430	0	47	0.0	-72.39	360.68	9.01	-63.38
CC1=CC(CNC(=O)C2CCC[N@@H+]2C2CC2)=CC=C1C(=O)[O-]	REAL300007153461	0	44	0.0	-70.31	335.87	8.76	-61.55
CC1=CC(CNC(=O)C2CCC[N@H+]2C2CC2)=CC=C1C(=O)[O-]	REAL300007153461	1	44	0.0	-67.35	343.71	8.51	-58.84
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC=C(C(=O)[O-])C(C)=C3)CN21	REAL300007153467	1	45	0.0	-66.92	358.86	8.88	-58.04
CC1=CC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007153468	0	53	0.0	-72.32	412.80	11.37	-60.95
CC1=NC(C[NH+]2CCC(C(=O)NCC3=CC=C(C(=O)[O-])C(C)=C3)CC2)=CS1	REAL300007153549	1	52	0.0	-76.60	419.71	9.13	-67.47
CC1=CC(CNC(=O)C(C)N2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300007153550	1	48	0.0	-73.52	364.48	5.98	-67.54
CC1=CC(CNC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007153637	0	56	0.0	-76.19	445.29	10.89	-65.30
CC1=CC(CNC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300007153650	0	56	0.0	-71.71	424.95	11.79	-59.92
CC1=CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC=C1C(=O)[O-]	REAL300007153709	0	38	0.0	-73.50	321.40	9.63	-63.87
CC1=CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)=CC=C1C(=O)[O-]	REAL300007153740	0	52	0.0	-73.06	375.88	9.72	-63.34
CC1=CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300007153745	0	52	0.0	-74.01	389.64	9.74	-64.27
CC1=CC(CNC(=O)CC[N@H+](C)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300007153745	1	52	0.0	-74.03	389.64	9.75	-64.28
CC1=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300007153766	1	53	0.0	-74.73	407.00	11.20	-63.53
CC1=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300007153766	1	53	0.0	-73.85	416.22	11.35	-62.50
CC1=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300007153767	1	50	0.0	-73.86	395.54	10.33	-63.53
CC1=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300007153767	1	50	0.0	-73.80	395.34	10.33	-63.47
CC1=CC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=CC=C1C(=O)[O-]	REAL300007153823	0	46	0.0	-76.48	380.65	8.78	-67.70
CC1=CC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300007153850	0	53	0.0	-66.61	389.09	9.95	-56.66
CC1=CC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300007153850	1	53	0.0	-67.58	383.83	10.09	-57.49
CC1=CC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)=CC=C1C(=O)[O-]	REAL300007153851	0	54	0.0	-71.37	396.42	8.26	-63.11
CC1=[NH+]C=CN1CCCC(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007153882	1	44	0.0	-70.39	362.20	9.06	-61.33
CC1=CC(CNC(=O)CCCC[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300007153883	1	50	0.0	-76.56	389.49	7.74	-68.82
CC[N@H+](CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C=C1)C(C)C	REAL300007153885	0	55	0.0	-75.98	409.87	10.89	-65.09
CC[N@@H+](CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C=C1)C(C)C	REAL300007153885	1	55	0.0	-76.50	410.76	11.03	-65.47
CC1=CC(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007153910	0	50	0.0	-76.44	399.99	10.68	-65.76
CC1=CC(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007153910	1	50	0.0	-74.58	396.24	10.65	-63.93
CC1=CC(CNC(=O)C2CC[NH+](C3CCSC3)CC2)=CC=C1C(=O)[O-]	REAL300007153911	0	51	0.0	-79.76	391.05	9.78	-69.98
CC1=CC(CNC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300007153939	1	55	0.0	-72.86	424.64	9.44	-63.42
CC1=CC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)=CC=C1C(=O)[O-]	REAL300007153940	0	54	0.0	-73.25	387.55	8.00	-65.25
CCC(C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1)[NH+](CC)CC	REAL300007153944	0	48	0.0	-66.61	354.19	8.24	-58.37
CC1=CC(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007153946	0	49	0.0	-72.14	386.42	10.14	-62.00
CC1=CC(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007153946	1	49	0.0	-72.74	385.53	10.18	-62.56
CC1=CC(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007153957	0	56	0.0	-76.76	434.88	12.19	-64.57
CC1=CC(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007153957	1	56	0.0	-76.66	434.90	12.20	-64.46
CC1=CC(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)=CC=C1C(=O)[O-]	REAL300007153983	0	45	0.0	-76.83	365.18	7.78	-69.05
CCC[NH+](CCC)CCCC(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007153994	0	54	0.0	-73.73	408.97	10.08	-63.65
CC1=CC(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=CC=C1C(=O)[O-]	REAL300007153995	1	54	0.0	-70.18	419.12	8.08	-62.10
CC[N@H+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1)C1=CC=CC=C1	REAL300007153996	0	49	0.0	-68.66	383.88	10.29	-58.37
CC[N@@H+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1)C1=CC=CC=C1	REAL300007153996	1	49	0.0	-70.29	378.71	10.13	-60.16
CC[NH+](CC)C(C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1)C1=CC=CC=C1	REAL300007154001	0	52	0.0	-68.52	390.82	10.36	-58.16
CC1=CC(CNC(=O)CN2C=C[NH+]=C2C(C)C)=CC=C1C(=O)[O-]	REAL300007154008	1	44	0.0	-67.94	356.89	8.87	-59.07
CC1=CC(CNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300007154012	1	46	0.0	-74.20	382.68	10.16	-64.04
CC1=CC(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300007154026	0	50	0.0	-77.37	394.18	10.78	-66.59
CC1=CC(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=CC=C1C(=O)[O-]	REAL300007154033	0	53	0.0	-75.12	410.96	11.49	-63.63
CCN1CCC([NH+]2CCC(C(=O)NCC3=CC=C(C(=O)[O-])C(C)=C3)CC2)CC1	REAL300007154039	0	61	0.0	-75.19	442.15	8.87	-66.32
CC1=CC(CNC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300007154046	1	57	0.0	-80.83	444.25	10.52	-70.31
CC1=CC(CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300007154057	1	54	0.0	-81.63	418.78	10.63	-71.00
CC1=CC(CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300007154057	1	54	0.0	-83.12	422.64	10.72	-72.40
CC1=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007154073	0	53	0.0	-69.00	409.99	11.29	-57.71
CC1=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007154073	1	53	0.0	-69.89	400.40	11.14	-58.75
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300007154075	1	44	0.0	-81.11	365.39	7.99	-73.12
CC1=CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300007154083	0	53	0.0	-77.77	410.63	11.44	-66.33
CC1=CC(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300007154096	1	46	0.0	-79.91	374.63	8.25	-71.66
CC1=CC(CNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007154097	0	49	0.0	-79.61	391.87	10.48	-69.13
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007154109	1	42	0.0	-64.85	340.58	7.22	-57.63
CC1=CC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300007154110	1	51	0.0	-79.21	402.24	10.12	-69.09
CC1=CC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300007154110	1	51	0.0	-78.85	405.34	10.17	-68.68
CC1=CC(CNC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300007154122	0	59	0.0	-71.43	449.52	12.63	-58.80
CC1=CC(CNC(=O)C(C)[NH+]2CCSCC2)=CC=C1C(=O)[O-]	REAL300007154167	1	44	0.0	-72.98	346.75	8.00	-64.98
CC1=CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)=CC=C1C(=O)[O-]	REAL300007154173	0	48	0.0	-72.52	359.18	8.57	-63.95
CC1=CC(CNC(=O)C[N@H+](C)CC(C)(C)C)=CC=C1C(=O)[O-]	REAL300007154173	1	48	0.0	-71.97	361.27	8.68	-63.29
CC1=CC(CNC(=O)C[N@H+](C)CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007154175	0	49	0.0	-76.73	390.36	10.59	-66.14
CC1=CC(CNC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007154175	1	49	0.0	-76.71	390.36	10.59	-66.12
COCCOCC[N@H+](C)CCC(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007154176	0	53	0.0	-74.39	419.25	6.79	-67.60
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007154176	1	53	0.0	-75.20	419.41	6.78	-68.42
CC1=CC(CNC(=O)CC2(O)CCC[N@@H+](C)C2)=CC=C1C(=O)[O-]	REAL300007154180	0	47	0.0	-71.89	355.55	6.40	-65.49
CC1=CC(CNC(=O)CC2(O)CCC[N@H+](C)C2)=CC=C1C(=O)[O-]	REAL300007154180	1	47	0.0	-69.27	361.54	6.50	-62.77
CC1=CC(CNC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300007154194	0	58	0.0	-78.77	445.52	10.29	-68.48
CC1=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)=CC=C1C(=O)[O-]	REAL300007154195	1	52	0.0	-73.81	405.01	9.54	-64.27
CC1=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)=CC=C1C(=O)[O-]	REAL300007154195	1	52	0.0	-74.73	395.41	9.40	-65.33
CC1=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300007154196	1	52	0.0	-71.83	404.73	9.45	-62.38
CC1=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300007154196	1	52	0.0	-72.89	395.33	9.37	-63.52
CCCCCC[N@H+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007154198	0	51	0.0	-73.72	394.95	9.91	-63.81
CCCCCC[N@@H+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007154198	1	51	0.0	-73.71	394.95	9.91	-63.80
CC1=CC(CNC(=O)C23CCC[NH+]2CCC3)=CC=C1C(=O)[O-]	REAL300007154207	0	44	0.0	-68.57	335.96	8.13	-60.44
CC1=CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC=C1C(=O)[O-]	REAL300007154215	1	38	0.0	-76.08	321.67	9.65	-66.43
CC1=CC(CNC(=O)C[N@@H+](C)C2CCSC2)=CC=C1C(=O)[O-]	REAL300007154233	0	44	0.0	-77.80	350.71	8.38	-69.42
CC1=CC(CNC(=O)C[N@H+](C)C2CCSC2)=CC=C1C(=O)[O-]	REAL300007154233	1	44	0.0	-77.51	350.50	8.39	-69.12
CC1=CC(CNC(=O)CCN2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300007154248	0	54	0.0	-71.72	406.58	7.32	-64.40
CC1=CC(CNC(=O)CC[NH+]2CCN(C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300007154248	1	54	0.0	-74.22	402.89	7.12	-67.10
CC1=CC(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300007154249	0	57	0.0	-71.13	428.08	8.13	-63.00
CC1=CC(CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300007154249	1	57	0.0	-74.29	424.57	7.93	-66.36
CC1=CC(CNC(=O)C2CCCC3CCC[N@@H+]32)=CC=C1C(=O)[O-]	REAL300007154250	0	47	0.0	-68.31	347.54	8.72	-59.59
CC1=CC(CNC(=O)C2CCCC3CCC[N@H+]32)=CC=C1C(=O)[O-]	REAL300007154250	1	47	0.0	-70.18	351.73	8.81	-61.37
CC1=CC(CNC(=O)C2=CN(CC[NH+](C)C)N=C2)=CC=C1C(=O)[O-]	REAL300007154252	0	46	0.0	-80.59	375.54	7.64	-72.95
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3=CC=C(C(=O)[O-])C(C)=C3)CC2)=C1	REAL300007154260	0	58	0.0	-78.66	445.44	10.15	-68.51
CC1=CC(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300007154262	0	55	0.0	-78.62	424.02	9.49	-69.13
CC1=CC(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=CC=C1C(=O)[O-]	REAL300007154265	0	52	0.0	-75.78	405.05	9.79	-65.99
CC1=CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=CC=C1C(=O)[O-]	REAL300007154265	1	52	0.0	-74.30	400.94	9.68	-64.62
CC1=CC(CNC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300007154270	1	50	0.0	-72.15	389.65	10.51	-61.64
CC1=CC(CNC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300007154270	1	50	0.0	-72.31	386.15	10.72	-61.59
CCC(CC)C(C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1)[NH+]1CCOCC1	REAL300007154288	1	56	0.0	-68.50	399.76	8.92	-59.58
CC1=CC(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007154296	0	53	0.0	-78.39	418.15	11.40	-66.99
CC1=CC(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007154296	1	53	0.0	-77.10	415.75	11.37	-65.73
CC1=CC(CNC(=O)C2=NN(CC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007154312	0	46	0.0	-79.92	375.92	7.65	-72.27
CC1=CC(CNC(=O)C2=CC=NN2CC[NH+](C)C)=CC=C1C(=O)[O-]	REAL300007154313	0	46	0.0	-72.03	371.06	7.61	-64.42
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007154319	1	47	0.0	-67.29	377.18	9.35	-57.94
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)CC[N@@H+]1C	REAL300007154322	0	46	0.0	-73.30	347.76	7.81	-65.49
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)CC[N@H+]1C	REAL300007154322	1	46	0.0	-72.79	353.37	8.16	-64.63
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007154326	1	42	0.0	-71.30	341.79	8.00	-63.30
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007154326	1	42	0.0	-69.47	343.77	8.44	-61.03
CC1=CC(CNC(=O)C2C[N@@H+](C)CC(C)O2)=CC=C1C(=O)[O-]	REAL300007154333	1	44	0.0	-79.08	349.79	7.33	-71.75
CC1=CC(CNC(=O)C2C[N@H+](C)CC(C)O2)=CC=C1C(=O)[O-]	REAL300007154333	1	44	0.0	-77.93	343.06	7.31	-70.62
CC1=CC(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=CC=C1C(=O)[O-]	REAL300007154339	0	53	0.0	-77.67	418.79	11.39	-66.28
CC1=CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=CC=C1C(=O)[O-]	REAL300007154339	1	53	0.0	-73.87	412.47	11.60	-62.27
CC1=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)=CC=C1C(=O)[O-]	REAL300007154340	1	49	0.0	-67.80	392.06	9.22	-58.58
CC1=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)=CC=C1C(=O)[O-]	REAL300007154340	1	49	0.0	-72.95	391.62	8.99	-63.96
CC1=CC(CNC(=O)C(C)C[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300007154345	0	47	0.0	-74.32	362.53	6.87	-67.45
CC1=CC(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=CC=C1C(=O)[O-]	REAL300007154346	0	54	0.0	-78.33	421.78	8.90	-69.43
CC1=CC(CNC(=O)C[NH+]2CCC(C)CC2)=CC=C1C(=O)[O-]	REAL300007154355	0	46	0.0	-72.68	354.24	8.65	-64.03
CC[N@@H+]1CCOC(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300007154370	1	44	0.0	-76.80	346.44	7.25	-69.55
CC[N@H+]1CCOC(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300007154370	1	44	0.0	-76.88	346.38	7.25	-69.63
CC1=CC(CNC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)=CC=C1C(=O)[O-]	REAL300007154409	1	53	0.0	-81.84	408.77	9.57	-72.27
CC1=CC(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)=CC=C1C(=O)[O-]	REAL300007154410	0	53	0.0	-73.69	399.68	10.10	-63.59
CC1=CC(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)=CC=C1C(=O)[O-]	REAL300007154410	1	53	0.0	-72.20	395.87	10.03	-62.17
CC1=CC(CNC(=O)CCC2CCC[N@H+]2C)=CC=C1C(=O)[O-]	REAL300007154417	0	46	0.0	-73.72	358.62	8.64	-65.08
CC1=CC(CNC(=O)CCC2CCC[N@@H+]2C)=CC=C1C(=O)[O-]	REAL300007154417	1	46	0.0	-74.15	357.11	8.28	-65.87
CC1=CC(CNC(=O)C23CCC[NH+](CCC2)C3)=CC=C1C(=O)[O-]	REAL300007154429	0	47	0.0	-73.66	348.62	8.35	-65.31
CC1=CC(CNC(=O)C2(C)CC(O)C[N@H+]2C)=CC=C1C(=O)[O-]	REAL300007154433	0	44	0.0	-73.21	338.84	4.45	-68.76
CC1=CC(CNC(=O)C2(C)CC(O)C[N@@H+]2C)=CC=C1C(=O)[O-]	REAL300007154433	1	44	0.0	-73.84	339.40	4.23	-69.61
CC1=CC(CNC(=O)C2CCC3CCCC[N@@H+]32)=CC=C1C(=O)[O-]	REAL300007154434	0	47	0.0	-68.26	353.09	8.64	-59.62
CC1=CC(CNC(=O)C2CCC3CCCC[N@H+]32)=CC=C1C(=O)[O-]	REAL300007154434	1	47	0.0	-66.66	358.74	9.03	-57.63
CC1=CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300007154442	0	50	0.0	-71.59	371.64	7.25	-64.34
CC1=CC(CNC(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300007154447	0	59	0.0	-78.02	449.57	10.14	-67.88
CC1=CC(CNC(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300007154447	1	59	0.0	-75.07	433.80	9.37	-65.70
CC1=CC(CNC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300007154448	0	53	0.0	-78.13	398.13	8.23	-69.90
CC1=CC(CNC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300007154448	1	53	0.0	-81.24	415.23	8.96	-72.28
CC1=CC(CNC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)=CC=C1C(=O)[O-]	REAL300007154453	0	55	0.0	-76.21	428.00	9.05	-67.16
CC1=CC(CNC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300007154454	0	55	0.0	-75.10	427.12	8.88	-66.22
CC1=CC(CNC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300007154454	1	55	0.0	-78.56	427.46	8.94	-69.62
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300007154455	0	56	0.0	-75.13	430.55	10.48	-64.65
CC1=CC(CNC(=O)C2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300007154463	0	49	0.0	-72.67	366.47	8.76	-63.91
CC1=CC(CNC(=O)C23CC[N@H+](C2)CCC3)=CC=C1C(=O)[O-]	REAL300007154547	0	44	0.0	-74.79	333.16	7.37	-67.42
CC1=CC(CNC(=O)C23CC[N@@H+](C2)CCC3)=CC=C1C(=O)[O-]	REAL300007154547	1	44	0.0	-73.51	332.87	7.35	-66.16
CC1=CC(CNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300007154596	0	57	0.0	-80.26	442.61	8.80	-71.46
CC1=CC(CNC(=O)C[NH+]2C(C)CCC2C)=CC=C1C(=O)[O-]	REAL300007154602	0	46	0.0	-68.23	348.36	8.03	-60.20
CC1=CC(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300007154603	0	46	0.0	-76.36	369.38	9.63	-66.73
CC1=CC(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007154604	0	53	0.0	-71.09	406.15	11.54	-59.55
CC1=CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007154604	1	53	0.0	-71.00	406.05	11.53	-59.47
C#CC[NH+]1CCC(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)CC1	REAL300007154672	0	45	0.0	-76.35	360.52	8.95	-67.40
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007154674	0	49	0.0	-69.33	363.18	8.96	-60.37
CCC[N@H+]1CCCCC1C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007154674	1	49	0.0	-69.33	363.07	8.97	-60.36
CC1=CC(CNC(=O)C2=CC=CC=C2C[NH+](C)C)=CC=C1C(=O)[O-]	REAL300007154675	0	46	0.0	-66.39	362.29	9.89	-56.50
CC[NH+]1CCN(CCC(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)CC1	REAL300007154677	0	51	0.0	-73.40	388.67	6.66	-66.74
CCN1CC[NH+](CCC(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)CC1	REAL300007154677	1	51	0.0	-74.16	389.83	6.80	-67.36
CC1=CC(CNC(=O)C(C(C)C)[NH+]2CCCCC2)=CC=C1C(=O)[O-]	REAL300007154679	0	52	0.0	-67.75	380.12	10.26	-57.49
CC1=CC(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300007154680	1	46	0.0	-69.74	365.91	9.65	-60.09
CC1=CC(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007154684	0	51	0.0	-74.24	408.84	7.71	-66.53
CC1=CC(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007154684	1	51	0.0	-74.29	408.24	7.65	-66.64
CC1=CC(CNC(=O)CCN2C=C[NH+]=C2C(C)C)=CC=C1C(=O)[O-]	REAL300007154690	1	47	0.0	-67.05	376.64	9.30	-57.75
CC1=CC(CNC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300007154691	0	49	0.0	-72.55	390.48	9.96	-62.59
CC1=CC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300007154697	0	50	0.0	-70.24	367.38	9.47	-60.77
CC1=CC(CNC(=O)C2CCC[N@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300007154697	1	50	0.0	-70.07	368.56	9.60	-60.47
CC1=CC(CNC(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)=CC=C1C(=O)[O-]	REAL300007154727	1	56	0.0	-68.31	411.13	8.58	-59.73
CC1=CC(CNC(=O)C(C)[NH+]2CCCCCC2)=CC=C1C(=O)[O-]	REAL300007154728	0	49	0.0	-68.63	362.15	8.91	-59.72
CC1=CC(CNC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300007154765	1	51	0.0	-80.59	404.17	10.07	-70.52
CC1=CC(CNC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300007154765	1	51	0.0	-80.51	404.38	10.04	-70.47
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300007154823	0	49	0.0	-72.82	390.62	9.31	-63.51
CC1=CC(CNC(=O)CCCC[NH+]2CCCC2)=CC=C1C(=O)[O-]	REAL300007154824	0	49	0.0	-73.28	382.55	9.46	-63.82
CC1=CC=C(N2CCC(C(=O)NCC3=CC=C(C(=O)[O-])C(C)=C3)CC2)[NH+]=C1	REAL300007154826	1	52	0.0	-69.71	405.26	9.22	-60.49
CC1=CC(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007154827	1	46	0.0	-76.32	367.88	9.74	-66.58
CC1=CC(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007154827	1	46	0.0	-76.35	367.93	9.74	-66.61
CC1=CC(CNC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300007154831	0	58	0.0	-76.34	437.39	9.99	-66.35
CC1=CC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300007154849	1	41	0.0	-80.39	350.53	7.59	-72.80
CC1=CC(CNC(=O)C2=NOC(C[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300007154880	1	42	0.0	-81.35	349.30	7.12	-74.23
CC1=CC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300007154884	0	53	0.0	-78.48	415.93	11.12	-67.36
CC1=CC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300007154884	1	53	0.0	-76.71	417.17	11.25	-65.46
CC1=CC(CNC(=O)C2CCC[N@H+]2C(C)C)=CC=C1C(=O)[O-]	REAL300007154903	0	46	0.0	-69.39	344.04	8.46	-60.93
CC1=CC(CNC(=O)C2CCC[N@@H+]2C(C)C)=CC=C1C(=O)[O-]	REAL300007154903	1	46	0.0	-67.50	350.16	8.26	-59.24
CC1=CC(CNC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007154910	0	54	0.0	-77.73	433.72	10.61	-67.12
CC1=CC(CNC(=O)COC2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300007154929	0	47	0.0	-78.04	371.18	8.24	-69.80
CC1=CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=CC=C1C(=O)[O-]	REAL300007154935	0	50	0.0	-74.76	396.31	9.73	-65.03
CC1=CC(CNC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007154978	0	52	0.0	-76.83	409.19	9.45	-67.38
CC1=CC(CNC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007154978	1	52	0.0	-71.94	403.92	9.43	-62.51
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300007155131	0	49	0.0	-67.60	368.73	9.37	-58.23
CCC[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300007155131	1	49	0.0	-71.92	374.96	9.16	-62.76
CC1=CC(CNC(=O)C2CCC[N@H+]2CC(C)C)=CC=C1C(=O)[O-]	REAL300007155164	0	49	0.0	-68.77	375.88	9.36	-59.41
CC1=CC(CNC(=O)C2CCC[N@@H+]2CC(C)C)=CC=C1C(=O)[O-]	REAL300007155164	1	49	0.0	-69.74	370.19	8.79	-60.95
CC1=CC(CNC(=O)C[NH+]2CCC(CO)CC2)=CC=C1C(=O)[O-]	REAL300007155165	0	47	0.0	-74.11	365.08	5.33	-68.78
CC1=CC(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=CC=C1C(=O)[O-]	REAL300007155267	0	54	0.0	-75.58	420.17	11.65	-63.93
CC1=CC(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=CC=C1C(=O)[O-]	REAL300007155267	1	54	0.0	-77.25	422.44	11.61	-65.64
CC1=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300007155308	1	53	0.0	-71.46	416.72	11.33	-60.13
CC1=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300007155308	1	53	0.0	-74.74	406.77	11.20	-63.54
CC1=CC(CNC(=O)C2CCC[N@@H+](C(C)C)C2)=CC=C1C(=O)[O-]	REAL300007155406	0	49	0.0	-66.84	363.87	9.14	-57.70
CC1=CC(CNC(=O)C2CCC[N@H+](C(C)C)C2)=CC=C1C(=O)[O-]	REAL300007155406	1	49	0.0	-66.80	363.85	9.14	-57.66
CC1=CC(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007155407	0	43	0.0	-82.32	345.71	8.38	-73.94
CC1=CC(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007155407	1	43	0.0	-80.52	351.35	8.05	-72.47
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)N1	REAL300007155432	1	44	0.0	-67.88	361.46	7.44	-60.44
CC1=CC(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300007155936	0	49	0.0	-77.50	391.87	10.46	-67.04
CC1=CC(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007155944	0	50	0.0	-76.87	399.08	9.45	-67.42
CC1=CC(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300007156045	0	56	0.0	-73.87	430.93	12.08	-61.79
CC1=CC(CNC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300007156047	1	54	0.0	-81.44	420.52	9.90	-71.54
CC1=CC(CNC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300007156047	1	54	0.0	-80.23	416.79	9.80	-70.43
CC1=CC(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=CC=C1C(=O)[O-]	REAL300007156094	0	49	0.0	-69.82	363.53	8.82	-61.00
CC1=CC(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)=CC=C1C(=O)[O-]	REAL300007156161	0	52	0.0	-71.22	392.43	9.84	-61.38
CC1=CC(CNC(=O)C2CCC[N@H+](CC(C)C)C2)=CC=C1C(=O)[O-]	REAL300007156161	1	52	0.0	-71.22	392.43	9.84	-61.38
CC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300007156162	0	46	0.0	-71.45	353.49	8.42	-63.03
CC[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300007156162	1	46	0.0	-71.45	353.49	8.42	-63.03
CC1=CC(CNC(=O)C2=CC=C(CN(C)C)O2)=CC=C1C(=O)[O-]	REAL300007156168	0	43	0.0	-76.02	354.72	7.85	-68.17
CC1=CC(CNC(=O)C2=CC=C(C[NH+](C)C)O2)=CC=C1C(=O)[O-]	REAL300007156168	1	43	0.0	-76.02	354.72	7.85	-68.17
CC1=CC(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=CC=C1C(=O)[O-]	REAL300007156174	0	52	0.0	-76.41	385.02	9.36	-67.05
CC1=CC(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)=CC=C1C(=O)[O-]	REAL300007156174	1	52	0.0	-76.41	385.02	9.36	-67.05
CC1=CC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC=C1C(=O)[O-]	REAL300007156177	0	45	0.0	-69.92	352.88	9.66	-60.26
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300007157219	0	59	0.0	-78.14	418.70	13.57	-64.57
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300007158517	0	53	0.0	-75.79	368.57	11.44	-64.35
CC1=[NH+]C=C2CCC(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])CN12	REAL300007158544	1	51	0.0	-65.81	365.96	11.04	-54.77
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])CC2)=CS1	REAL300007158607	1	58	0.0	-73.13	426.04	11.65	-61.48
CC(C(=O)N1CC(C)(C)CCC1CC(=O)[O-])N1CC[NH+](C)CC1	REAL300007158608	1	54	0.0	-66.18	367.20	8.31	-57.87
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C)(C)CCC2CC(=O)[O-])C=C1	REAL300007158679	0	62	0.0	-86.08	453.84	13.38	-72.70
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300007158735	0	44	0.0	-73.65	328.31	11.78	-61.87
C[NH+](C)CC1(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])CCCCC1	REAL300007158763	0	58	0.0	-58.22	354.97	11.02	-47.20
C[N@H+](CCC(=O)N1CC(C)(C)CCC1CC(=O)[O-])C1CCCCC1	REAL300007158767	0	58	0.0	-70.06	398.23	12.24	-57.82
C[N@@H+](CCC(=O)N1CC(C)(C)CCC1CC(=O)[O-])C1CCCCC1	REAL300007158767	1	58	0.0	-70.88	398.23	12.21	-58.67
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300007158826	0	52	0.0	-88.85	387.10	10.84	-78.01
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300007158841	0	60	0.0	-81.36	409.63	10.64	-70.72
CC1=[NH+]C=CN1CCCC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007158868	1	50	0.0	-69.63	370.78	11.50	-58.13
CC1(C)CCC(CC(=O)[O-])N(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300007158869	1	56	0.0	-78.28	398.08	10.21	-68.07
CC[N@H+](CC1=CC=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C=C1)C(C)C	REAL300007158870	0	61	0.0	-85.60	423.56	13.30	-72.30
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C=C1)C(C)C	REAL300007158870	1	61	0.0	-86.43	421.37	13.24	-73.19
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007158890	0	56	0.0	-65.54	401.53	12.86	-52.68
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007158890	1	56	0.0	-67.20	399.58	12.76	-54.44
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300007158891	0	57	0.0	-82.20	398.47	12.26	-69.94
CC1(C)CCC(CC(=O)[O-])N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300007158919	0	60	0.0	-68.02	396.14	10.15	-57.87
CCC(C(=O)N1CC(C)(C)CCC1CC(=O)[O-])[NH+](CC)CC	REAL300007158923	0	54	0.0	-52.49	361.30	10.50	-41.99
CC(C(=O)N1CC(C)(C)CCC1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300007158925	0	55	0.0	-56.17	383.81	12.10	-44.07
CC(C(=O)N1CC(C)(C)CCC1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300007158925	1	55	0.0	-62.84	387.27	12.35	-50.49
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300007158932	0	62	0.0	-68.87	438.76	14.38	-54.49
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300007158932	1	62	0.0	-59.11	427.14	14.29	-44.82
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C=N1	REAL300007158946	0	51	0.0	-83.76	372.44	9.75	-74.01
CCC[NH+](CCC)CCCC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007158953	0	60	0.0	-68.58	417.20	12.54	-56.04
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007158962	1	50	0.0	-58.87	365.12	11.21	-47.66
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300007158976	0	56	0.0	-88.42	400.36	12.87	-75.55
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300007158981	0	59	0.0	-77.14	418.17	13.53	-63.61
CCN1CCC([NH+]2CCC(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])CC2)CC1	REAL300007158986	0	67	0.0	-74.06	452.77	11.35	-62.71
CC1(C)CCC(CC(=O)[O-])N(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007159005	1	60	0.0	-80.82	426.99	12.69	-68.13
CC1(C)CCC(CC(=O)[O-])N(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007159005	1	60	0.0	-84.57	427.30	12.70	-71.87
CC1=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007159019	1	50	0.0	-85.96	373.59	10.14	-75.82
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300007159022	0	59	0.0	-88.48	417.10	13.58	-74.90
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300007159033	1	52	0.0	-79.83	379.95	11.00	-68.83
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C=C1	REAL300007159034	0	55	0.0	-92.68	398.04	12.56	-80.12
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159040	1	48	0.0	-61.36	351.39	9.25	-52.11
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007159041	1	57	0.0	-83.14	405.65	11.83	-71.31
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007159041	1	57	0.0	-79.02	409.14	11.87	-67.15
CC(C(=O)N1CC(C)(C)CCC1CC(=O)[O-])[NH+]1CCSCC1	REAL300007159083	1	50	0.0	-59.25	350.58	10.35	-48.90
C[N@H+](CC(=O)N1CC(C)(C)CCC1CC(=O)[O-])CC(C)(C)C	REAL300007159089	0	54	0.0	-61.83	367.85	10.82	-51.01
C[N@@H+](CC(=O)N1CC(C)(C)CCC1CC(=O)[O-])CC(C)(C)C	REAL300007159089	1	54	0.0	-56.06	369.26	11.05	-45.01
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159091	0	55	0.0	-62.77	398.89	12.86	-49.91
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159091	1	55	0.0	-62.73	398.90	12.86	-49.87
COCCOCC[N@H+](C)CCC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159092	0	59	0.0	-68.41	427.92	9.26	-59.15
COCCOCC[N@@H+](C)CCC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159092	1	59	0.0	-72.11	428.00	9.26	-62.85
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007159095	0	53	0.0	-67.77	366.92	8.48	-59.29
C[N@H+]1CCCC(O)(CC(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007159095	1	53	0.0	-67.91	357.18	8.27	-59.64
CCCCCC[N@H+](C)CC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159106	0	57	0.0	-61.90	403.48	12.18	-49.72
CCCCCC[N@@H+](C)CC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159106	1	57	0.0	-62.07	403.48	12.18	-49.89
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300007159120	1	44	0.0	-80.77	328.60	11.80	-68.97
C[N@H+](CC(=O)N1CC(C)(C)CCC1CC(=O)[O-])C1CCSC1	REAL300007159135	0	50	0.0	-58.27	358.89	10.66	-47.61
C[N@@H+](CC(=O)N1CC(C)(C)CCC1CC(=O)[O-])C1CCSC1	REAL300007159135	1	50	0.0	-59.33	360.22	10.64	-48.69
CC(C)[NH+]1CCN(CCC(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007159148	0	60	0.0	-75.48	415.16	9.78	-65.70
CC(C)N1CC[NH+](CCC(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007159148	1	60	0.0	-68.28	411.67	9.60	-58.68
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007159149	0	63	0.0	-75.34	431.55	10.23	-65.11
CC(C)N1CC[NH+](CCCC(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007159149	1	63	0.0	-72.61	432.98	10.39	-62.22
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300007159150	0	53	0.0	-55.74	363.54	11.21	-44.53
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300007159150	1	53	0.0	-61.92	355.76	10.84	-51.08
C[NH+](C)CCN1C=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C=N1	REAL300007159152	0	52	0.0	-83.76	375.45	9.62	-74.14
CC1(C)CCC(CC(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300007159156	0	61	0.0	-72.40	432.62	11.97	-60.43
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300007159158	0	58	0.0	-71.44	414.47	11.74	-59.70
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300007159158	1	58	0.0	-68.35	410.62	11.67	-56.68
CC(C(=O)N1CC(C)(C)CCC1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007159163	1	56	0.0	-59.27	387.03	12.70	-46.57
CC(C(=O)N1CC(C)(C)CCC1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007159163	1	56	0.0	-58.87	394.93	12.85	-46.02
CC1(C)CCC(CC(=O)[O-])N(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007159183	0	59	0.0	-76.60	422.37	13.68	-62.92
CC1(C)CCC(CC(=O)[O-])N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007159183	1	59	0.0	-73.66	422.42	13.72	-59.94
C[NH+](C)CCN1C=CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])=N1	REAL300007159196	0	52	0.0	-94.22	381.20	10.43	-83.79
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159197	0	52	0.0	-62.35	375.86	9.76	-52.59
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159198	1	53	0.0	-66.03	385.78	11.72	-54.31
CC[C@@H]1[C@@H](C(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC[N@@H+]1C	REAL300007159201	0	52	0.0	-70.17	349.22	9.95	-60.22
CC[C@@H]1[C@@H](C(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC[N@H+]1C	REAL300007159201	1	52	0.0	-70.92	358.38	10.31	-60.61
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])=NN1	REAL300007159204	1	53	0.0	-85.28	382.15	10.02	-75.26
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])=NN1	REAL300007159204	1	53	0.0	-80.49	378.18	9.45	-71.04
CC1C[N@H+](C)CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])O1	REAL300007159211	1	50	0.0	-80.08	353.98	9.06	-71.02
CC1C[N@@H+](C)CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])O1	REAL300007159211	1	50	0.0	-84.27	346.28	8.62	-75.65
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300007159215	0	59	0.0	-68.68	408.52	13.52	-55.16
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300007159215	1	59	0.0	-57.90	411.00	13.48	-44.42
CC(C[NH+]1CCOCC1)C(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159220	1	53	0.0	-68.96	361.55	9.00	-59.96
CC1(C)CCC(CC(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300007159221	0	60	0.0	-71.30	430.37	11.39	-59.91
CC1CC[NH+](CC(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007159231	0	52	0.0	-58.32	361.75	11.00	-47.32
CC[N@@H+]1CCOC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007159244	1	50	0.0	-59.06	343.32	8.73	-50.33
CC[N@H+]1CCOC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007159244	1	50	0.0	-79.60	350.16	8.95	-70.65
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300007159276	0	59	0.0	-72.06	401.28	12.28	-59.78
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300007159276	1	59	0.0	-69.01	401.43	12.25	-56.76
C[N@@H+]1CCCC1CCC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159282	0	52	0.0	-75.78	366.78	11.09	-64.69
C[N@H+]1CCCC1CCC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159282	1	52	0.0	-69.18	361.35	10.67	-58.51
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300007159294	0	53	0.0	-59.91	363.77	11.31	-48.60
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300007159294	1	53	0.0	-57.14	364.85	11.33	-45.81
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])=C2)CC1	REAL300007159308	0	61	0.0	-75.09	435.36	11.11	-63.98
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])C=C2)CC1	REAL300007159309	0	61	0.0	-90.37	434.36	10.93	-79.44
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])C=C2)CC1	REAL300007159309	1	61	0.0	-89.25	433.63	11.03	-78.22
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C=C1	REAL300007159310	0	62	0.0	-87.02	436.64	12.55	-74.47
CC(C)[NH+]1CCC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007159318	0	55	0.0	-72.15	376.81	11.25	-60.90
CC1(C)CCC(CC(=O)[O-])N(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300007159391	0	50	0.0	-73.25	329.89	9.34	-63.91
CC1(C)CCC(CC(=O)[O-])N(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300007159391	1	50	0.0	-80.80	326.33	9.27	-71.53
CC1CCC(C)[NH+]1CC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159431	0	52	0.0	-58.12	356.74	10.37	-47.75
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])=C1	REAL300007159432	0	52	0.0	-82.49	376.64	11.69	-70.80
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007159433	0	59	0.0	-59.96	405.75	13.57	-46.39
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007159433	1	59	0.0	-60.31	410.97	13.62	-46.69
C#CC[NH+]1CCC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007159484	0	51	0.0	-76.92	367.67	11.27	-65.65
CC[NH+]1CCN(CCC(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007159486	0	57	0.0	-78.05	396.70	9.07	-68.98
CCN1CC[NH+](CCC(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007159486	1	57	0.0	-69.05	398.43	9.29	-59.76
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159493	1	53	0.0	-64.54	385.23	11.78	-52.76
CC(C(=O)N1CC(C)(C)CCC1CC(=O)[O-])[NH+]1CCCCCC1	REAL300007159524	0	55	0.0	-58.74	367.77	10.88	-47.86
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])=CC=C1N2	REAL300007159558	1	57	0.0	-86.82	410.60	12.11	-74.71
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])=CC=C1N2	REAL300007159558	1	57	0.0	-86.96	405.16	11.98	-74.98
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])O1	REAL300007159600	0	55	0.0	-87.28	394.06	11.66	-75.62
CC1(C)CCC(CC(=O)[O-])N(C(=O)CCCC[NH+]2CCCC2)C1	REAL300007159601	0	55	0.0	-75.57	391.14	11.94	-63.63
CC1=CC=C(N2CCC(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])CC2)[NH+]=C1	REAL300007159603	1	58	0.0	-75.58	409.20	11.41	-64.17
C[N@H+](CC(=O)N1CC(C)(C)CCC1CC(=O)[O-])CC1=CC=CC=C1	REAL300007159604	1	52	0.0	-64.95	376.41	12.01	-52.94
C[N@@H+](CC(=O)N1CC(C)(C)CCC1CC(=O)[O-])CC1=CC=CC=C1	REAL300007159604	1	52	0.0	-64.75	376.41	12.01	-52.74
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300007159623	1	47	0.0	-81.25	350.43	9.57	-71.68
C[NH+](C)CC1=CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])=NO1	REAL300007159646	1	48	0.0	-81.80	354.62	9.86	-71.94
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159650	0	59	0.0	-66.01	414.52	13.19	-52.82
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159650	1	59	0.0	-69.82	422.25	13.48	-56.34
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159666	0	52	0.0	-57.02	358.25	10.46	-46.56
CC(C)[N@H+]1CCCC1C(=O)N1CC(C)(C)CCC1CC(=O)[O-]	REAL300007159666	1	52	0.0	-57.34	355.43	10.40	-46.94
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C)(C)CCC2CC(=O)[O-])C=C1	REAL300007159673	0	60	0.0	-88.38	440.86	13.08	-75.30
C[NH+]1CCC(OCC(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007159687	0	53	0.0	-84.66	379.77	10.25	-74.41
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300007159692	0	56	0.0	-88.13	401.61	12.11	-76.02
CCC[N@@H+]1CCCC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007159841	0	55	0.0	-55.06	373.76	11.44	-43.62
CCC[N@H+]1CCCC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007159841	1	55	0.0	-64.23	378.67	11.34	-52.89
CC1(C)CCC(CC(=O)[O-])N(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300007159869	0	53	0.0	-61.69	373.23	7.62	-54.07
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007160052	0	55	0.0	-70.80	377.16	11.21	-59.59
CC(C)[N@H+]1CCCC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007160052	1	55	0.0	-56.00	363.57	11.17	-44.83
C[N@@H+]1CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300007160053	0	49	0.0	-72.33	360.09	10.03	-62.30
C[N@H+]1CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300007160053	1	49	0.0	-63.04	344.62	9.41	-53.63
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C)(C)CCC2CC(=O)[O-])N1	REAL300007160075	1	50	0.0	-64.62	370.06	9.91	-54.71
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])=C1	REAL300007160467	0	55	0.0	-84.89	399.13	12.52	-72.37
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C=C1	REAL300007160475	0	56	0.0	-89.22	405.36	11.52	-77.70
CC1(C)CCC(CC(=O)[O-])N(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300007160569	0	62	0.0	-73.47	439.52	14.45	-59.02
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])C=C2)CCO1	REAL300007160571	1	60	0.0	-91.23	429.58	11.92	-79.31
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])C=C2)CCO1	REAL300007160571	1	60	0.0	-90.93	431.43	11.89	-79.04
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C)(C)CCC2CC(=O)[O-])CC1	REAL300007160602	0	55	0.0	-71.57	358.58	10.71	-60.86
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])=CN21	REAL300007160606	0	47	0.0	-70.13	349.43	11.55	-58.58
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007160655	0	58	0.0	-56.36	391.23	12.14	-44.22
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007160655	1	58	0.0	-55.85	390.86	12.16	-43.69
CC[N@@H+]1CCCC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007160656	0	52	0.0	-63.78	356.88	10.59	-53.19
CC[N@H+]1CCCC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C1	REAL300007160656	1	52	0.0	-63.81	357.37	10.60	-53.21
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])O1	REAL300007160662	1	49	0.0	-89.04	360.16	10.26	-78.78
CC1(C)CCC(CC(=O)[O-])N(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300007160670	0	51	0.0	-70.03	348.22	10.76	-59.27
CC1(C)CCC(CC(=O)[O-])N(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300007160670	1	51	0.0	-66.59	347.39	11.07	-55.52
CC1(C)CCC(CO)(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007160709	0	50	0.0	-46.05	360.68	5.56	-40.49
CC1(C)CCC(CO)(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007160709	1	50	0.0	-45.59	359.98	4.85	-40.74
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC12CC3CC(CC(C3)O1)C2	REAL300007160870	0	52	0.0	-47.00	369.98	7.55	-39.45
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC12CC3CC(CC(C3)O1)C2	REAL300007160870	1	52	0.0	-47.19	363.54	7.48	-39.71
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(O)C2=CSC3=CC=CC=C23)C1	REAL300007160998	0	47	0.0	-51.21	376.47	6.37	-44.84
O=C([O-])C1CCC[N@H+](CC(=O)NCC(O)C2=CSC3=CC=CC=C23)C1	REAL300007160998	1	47	0.0	-51.97	382.67	6.39	-45.58
O=C([O-])C1=CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300007162320	0	48	0.0	-79.15	360.70	10.48	-68.67
O=C([O-])C1=CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300007163080	0	45	0.0	-70.05	345.86	10.10	-59.95
O=C([O-])C1=CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300007163080	1	45	0.0	-67.50	340.63	9.68	-57.82
O=C([O-])C1=CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300007163766	1	45	0.0	-73.96	362.76	10.61	-63.35
O=C([O-])C1=CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300007163766	1	45	0.0	-71.67	357.77	10.20	-61.47
O=C([O-])C1=CCN(C(=O)C2COCC[N@@H+]2C2CCCC2)CC1	REAL300007163831	1	46	0.0	-64.08	330.59	6.93	-57.15
O=C([O-])C1=CCN(C(=O)C2COCC[N@H+]2C2CCCC2)CC1	REAL300007163831	1	46	0.0	-63.85	331.22	6.96	-56.89
O=C([O-])C1=CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300007163834	0	48	0.0	-69.16	356.97	10.25	-58.91
CC1=NC(C[NH+]2CCC(C(=O)N3CC=C(C(=O)[O-])CC3)CC2)=CS1	REAL300007163893	1	47	0.0	-77.81	368.05	8.23	-69.58
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC=C(C(=O)[O-])CC2)C=C1	REAL300007163948	0	51	0.0	-77.32	398.53	10.39	-66.93
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC=C(C(=O)[O-])CC2)=C1	REAL300007163960	0	51	0.0	-76.96	398.66	12.33	-64.63
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC=C(C(=O)[O-])CC2)=C1	REAL300007163960	1	51	0.0	-79.17	397.28	12.29	-66.88
CC1(C(=O)N2CC=C(C(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007163961	0	51	0.0	-67.50	367.66	10.54	-56.96
O=C([O-])C1=CCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300007163998	0	48	0.0	-66.65	369.88	10.17	-56.48
O=C([O-])C1=CCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300007163998	1	48	0.0	-65.61	369.52	10.17	-55.44
O=C([O-])C1=CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300007164048	1	48	0.0	-69.33	356.37	10.28	-59.05
O=C([O-])C1=CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300007164048	1	48	0.0	-66.92	368.01	10.78	-56.14
O=C([O-])C1=CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300007164049	0	45	0.0	-75.01	352.44	10.15	-64.86
O=C([O-])C1=CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300007164049	1	45	0.0	-72.58	347.45	9.75	-62.83
O=C([O-])C1=CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300007164093	0	41	0.0	-78.87	331.62	7.83	-71.04
C[NH+](C)CCN1N=CC(C(=O)N2CC=C(C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300007164098	0	51	0.0	-79.18	399.27	10.03	-69.15
O=C([O-])C1=CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300007164122	0	48	0.0	-64.31	340.40	9.31	-55.00
O=C([O-])C1=CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300007164122	1	48	0.0	-62.91	340.54	9.38	-53.53
O=C([O-])C1=CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300007164123	0	49	0.0	-78.65	351.74	7.57	-71.08
CC[N@H+](CC1=CC=C(C(=O)N2CC=C(C(=O)[O-])CC2)C=C1)C(C)C	REAL300007164143	0	50	0.0	-77.63	368.48	10.31	-67.32
CC[N@@H+](CC1=CC=C(C(=O)N2CC=C(C(=O)[O-])CC2)C=C1)C(C)C	REAL300007164143	1	50	0.0	-78.72	360.41	10.01	-68.71
O=C([O-])C1=CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300007164164	0	45	0.0	-74.26	344.31	9.83	-64.43
O=C([O-])C1=CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300007164164	1	45	0.0	-72.92	345.62	9.92	-63.00
O=C([O-])C1=CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300007164165	0	46	0.0	-82.54	343.76	9.19	-73.35
C[NH+]1CCN(C(C(=O)N2CC=C(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300007164186	1	50	0.0	-74.99	376.18	8.46	-66.53
O=C([O-])C1=CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300007164187	0	49	0.0	-73.13	341.25	7.49	-65.64
CC(C(=O)N1CC=C(C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300007164189	0	44	0.0	-68.83	337.57	9.54	-59.29
CC(C(=O)N1CC=C(C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300007164189	1	44	0.0	-67.63	336.18	9.48	-58.15
O=C([O-])C1=CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300007164196	0	51	0.0	-76.80	378.10	11.38	-65.42
O=C([O-])C1=CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300007164196	1	51	0.0	-70.15	377.47	11.53	-58.62
O=C([O-])C1=CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC1	REAL300007164233	0	49	0.0	-68.74	367.55	7.29	-61.45
CC[N@H+](C)C(C(=O)N1CC=C(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300007164234	0	44	0.0	-66.97	333.49	9.44	-57.53
CC[N@@H+](C)C(C(=O)N1CC=C(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300007164234	1	44	0.0	-61.23	332.83	9.51	-51.72
CC[NH+](CC)C(C(=O)N1CC=C(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300007164239	0	47	0.0	-68.86	339.59	9.85	-59.01
C[NH+](C)C(C(=O)N1CC=C(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300007164242	1	41	0.0	-66.59	329.52	9.30	-57.29
O=C([O-])C1=CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300007164256	0	45	0.0	-80.50	345.44	9.86	-70.64
O=C([O-])C1=CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300007164262	0	48	0.0	-72.94	363.52	10.59	-62.35
CCC(C(=O)N1CC=C(C(=O)[O-])CC1)[N@@H+]1CCOC(CC)C1	REAL300007164265	1	48	0.0	-65.96	339.52	7.41	-58.55
CCC(C(=O)N1CC=C(C(=O)[O-])CC1)[N@H+]1CCOC(CC)C1	REAL300007164265	1	48	0.0	-67.23	345.80	7.46	-59.77
CCN1CCC([NH+]2CCC(C(=O)N3CC=C(C(=O)[O-])CC3)CC2)CC1	REAL300007164268	0	56	0.0	-77.35	394.78	8.24	-69.11
CC1C[NH+](CC2=CC=C(C(=O)N3CC=C(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300007164274	1	52	0.0	-83.54	395.51	9.59	-73.95
O=C([O-])C1=CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300007164285	1	49	0.0	-79.93	378.71	10.15	-69.78
O=C([O-])C1=CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300007164285	1	49	0.0	-82.53	372.07	10.10	-72.43
O=C([O-])C1=CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300007164300	0	48	0.0	-67.19	361.26	10.69	-56.50
O=C([O-])C1=CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300007164300	1	48	0.0	-70.75	353.79	10.38	-60.37
CC1=C(C(=O)N2CC=C(C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300007164302	1	39	0.0	-79.90	319.55	7.11	-72.79
O=C([O-])C1=CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300007164310	0	48	0.0	-80.73	362.18	10.57	-70.16
O=C([O-])C1=CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300007164320	1	41	0.0	-78.67	325.74	8.04	-70.63
C[NH+](C)CCC1=CC=C(C(=O)N2CC=C(C(=O)[O-])CC2)C=C1	REAL300007164321	0	44	0.0	-82.86	343.11	9.55	-73.31
O=C([O-])C1=CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300007164328	1	46	0.0	-82.48	353.91	9.37	-73.11
O=C([O-])C1=CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300007164328	1	46	0.0	-79.35	347.02	9.21	-70.14
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CC=C(C(=O)[O-])CC1	REAL300007164332	0	55	0.0	-65.87	409.32	11.68	-54.19
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CC=C(C(=O)[O-])CC1	REAL300007164332	1	55	0.0	-63.13	404.52	11.02	-52.11
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CC(C(=O)N1CC=C(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007164421	0	45	0.0	-67.93	340.56	9.89	-58.04
CC(C(=O)N1CC=C(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007164421	1	45	0.0	-69.96	335.18	9.80	-60.16
CC(C(=O)N1CC=C(C(=O)[O-])CC1)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300007164423	1	50	0.0	-72.43	377.66	8.77	-63.66
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C[N@H+]1CCCC1C1=CC(C(=O)N2CC=C(C(=O)[O-])CC2)=NN1	REAL300007164461	1	42	0.0	-78.65	327.77	6.91	-71.74
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O=C([O-])C1=CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300007164504	0	48	0.0	-70.91	346.48	9.36	-61.55
O=C([O-])C1=CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300007164504	1	48	0.0	-71.68	348.09	9.42	-62.26
O=C([O-])C1=CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CC1	REAL300007164519	0	53	0.0	-81.39	394.13	9.60	-71.79
O=C([O-])C1=CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CC1	REAL300007164519	1	53	0.0	-79.17	393.75	10.01	-69.16
CC(C)[N@@H+]1CCC(C(=O)N2CC=C(C(=O)[O-])CC2)C(C2=CN(C)N=C2)C1	REAL300007164525	0	54	0.0	-71.42	390.18	9.23	-62.19
CC(C)[N@H+]1CCC(C(=O)N2CC=C(C(=O)[O-])CC2)C(C2=CN(C)N=C2)C1	REAL300007164525	1	54	0.0	-78.54	390.87	9.26	-69.28
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC=C(C(=O)[O-])CC2)C=N1	REAL300007164526	0	48	0.0	-75.02	356.65	8.10	-66.92
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC=C(C(=O)[O-])CC2)C=N1	REAL300007164526	1	48	0.0	-78.71	369.71	8.32	-70.39
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC=C(C(=O)[O-])CC3)=C2)CC1	REAL300007164530	0	50	0.0	-73.92	379.31	8.12	-65.80
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC=C(C(=O)[O-])CC3)C=C2)CC1	REAL300007164531	0	50	0.0	-78.46	379.24	8.13	-70.33
CN1CC[NH+](CC2=CC=C(C(=O)N3CC=C(C(=O)[O-])CC3)C=C2)CC1	REAL300007164531	1	50	0.0	-81.60	378.71	8.01	-73.59
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC=C(C(=O)[O-])CC2)C=C1	REAL300007164532	0	51	0.0	-78.32	381.57	9.56	-68.76
O=C([O-])C1=CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CC1	REAL300007164593	0	52	0.0	-83.25	393.86	7.87	-75.38
O=C([O-])C1=CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300007164595	0	48	0.0	-69.14	356.00	10.76	-58.38
O=C([O-])C1=CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300007164595	1	48	0.0	-69.84	354.89	10.64	-59.20
O=C([O-])C1=CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300007164647	0	46	0.0	-69.46	350.87	7.08	-62.38
O=C([O-])C1=CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300007164647	1	46	0.0	-75.56	355.23	6.92	-68.64
C[NH+](C)CC1=C(C(=O)N2CC=C(C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300007164651	0	44	0.0	-64.68	346.46	9.43	-55.25
CC[NH+](CC)C(C(=O)N1CC=C(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300007164653	0	50	0.0	-65.39	381.96	10.76	-54.63
O=C([O-])C1=CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC1	REAL300007164677	1	46	0.0	-67.19	356.43	10.37	-56.82
CC(C)C(C(=O)N1CC=C(C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300007164678	1	51	0.0	-68.74	364.00	8.07	-60.67
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC=C(C(=O)[O-])CC3)=CC=C1N2	REAL300007164699	1	46	0.0	-83.03	357.12	9.14	-73.89
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC=C(C(=O)[O-])CC3)=CC=C1N2	REAL300007164699	1	46	0.0	-83.91	357.11	9.14	-74.77
CC[NH+](CC)CC1=CC=C(C(=O)N2CC=C(C(=O)[O-])CC2)O1	REAL300007164748	0	44	0.0	-73.91	340.51	8.75	-65.16
CC1=CC=C(N2CCC(C(=O)N3CC=C(C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300007164750	1	47	0.0	-70.89	353.98	8.38	-62.51
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC=C(C(=O)[O-])CC3)C=C2)CC1	REAL300007164753	0	53	0.0	-78.84	388.68	9.05	-69.79
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC=C(C(=O)[O-])CC1	REAL300007164792	0	48	0.0	-78.45	367.18	10.56	-67.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC=C(C(=O)[O-])CC1	REAL300007164792	1	48	0.0	-75.11	364.98	10.74	-64.37
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC=C(C(=O)[O-])CC2)C=C1	REAL300007164808	0	49	0.0	-79.53	385.83	10.08	-69.45
O=C([O-])C1=CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300007164823	0	45	0.0	-76.71	346.76	9.23	-67.48
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC=C(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300007164848	0	47	0.0	-69.55	357.43	8.69	-60.86
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC=C(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300007164848	1	47	0.0	-63.19	353.43	8.57	-54.62
O=C([O-])C1=CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300007165032	0	49	0.0	-79.22	366.06	10.72	-68.50
O=C([O-])C1=CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300007165032	1	49	0.0	-77.57	370.17	10.77	-66.80
O=C([O-])C1=CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300007165058	1	48	0.0	-69.70	367.19	10.70	-59.00
O=C([O-])C1=CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300007165058	1	48	0.0	-74.79	359.92	10.48	-64.31
C[N@@H+]1CC(C(=O)N2CC=C(C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300007165120	0	38	0.0	-80.74	304.44	7.14	-73.60
C[N@H+]1CC(C(=O)N2CC=C(C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300007165120	1	38	0.0	-76.17	295.79	6.90	-69.27
C[NH+](C)CCC1=CC=CC(C(=O)N2CC=C(C(=O)[O-])CC2)=C1	REAL300007165462	0	44	0.0	-82.81	343.11	9.54	-73.27
C[NH+](C)CCOC1=CC=C(C(=O)N2CC=C(C(=O)[O-])CC2)C=C1	REAL300007165466	0	45	0.0	-80.33	350.46	8.49	-71.84
O=C([O-])C1=CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300007165530	0	51	0.0	-75.01	384.17	11.56	-63.45
CC1C[N@H+](CC2=CC=C(C(=O)N3CC=C(C(=O)[O-])CC3)C=C2)CCO1	REAL300007165532	1	49	0.0	-81.68	376.04	8.93	-72.75
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC=C(C(=O)[O-])CC3)C=C2)CCO1	REAL300007165532	1	49	0.0	-82.01	376.09	8.93	-73.08
CC1=CC=C(F)C2=C1CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300007165683	0	47	0.0	-44.54	348.18	9.77	-34.77
O=C([O-])C(CCCCNC(=O)C1CC[NH+](C2CC2)CC1)CC(F)(F)F	REAL300007167500	0	52	0.0	-75.58	406.24	9.60	-65.98
O=C([O-])C(CCCCNC(=O)C1CCC[N@@H+]1C1CC1)CC(F)(F)F	REAL300007167524	0	49	0.0	-66.44	392.65	9.24	-57.20
O=C([O-])C(CCCCNC(=O)C1CCC[N@H+]1C1CC1)CC(F)(F)F	REAL300007167524	1	49	0.0	-70.24	386.79	8.58	-61.66
CC1=[NH+]C=C2CCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CN12	REAL300007167530	1	50	0.0	-68.43	405.13	9.50	-58.93
C[N@@H+]1CCCCC1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167597	0	48	0.0	-69.85	369.41	8.15	-61.70
C[N@H+]1CCCCC1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167597	1	48	0.0	-68.77	369.00	8.14	-60.63
CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])N1CC[NH+](C)CC1	REAL300007167598	1	53	0.0	-74.17	409.76	6.57	-67.60
C[N@@H+]1CCCC[C@H]1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167633	0	48	0.0	-68.69	378.30	8.31	-60.38
C[N@H+]1CCCC[C@H]1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167633	1	48	0.0	-68.78	369.02	8.14	-60.64
C[NH+]1CCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007167696	0	48	0.0	-79.44	381.37	8.40	-71.04
O=C([O-])C(CCCCNC(=O)C1=CN2C=[NH+]C=C2C=C1)CC(F)(F)F	REAL300007167726	0	43	0.0	-75.02	366.96	10.24	-64.78
C[NH+](C)CC1(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CCCCC1	REAL300007167755	0	57	0.0	-61.36	416.05	9.73	-51.63
C[N@H+](CCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300007167760	0	57	0.0	-75.36	435.20	10.32	-65.04
C[N@@H+](CCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300007167760	1	57	0.0	-75.47	435.21	10.32	-65.15
C[N@@H+]1CCCC1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167774	0	45	0.0	-71.44	356.35	7.27	-64.17
C[N@H+]1CCCC1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167774	1	45	0.0	-69.86	356.85	7.29	-62.57
C[NH+]1CCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007167824	0	48	0.0	-79.44	381.37	8.40	-71.04
O=C([O-])C(CCCCNC(=O)C1CCCC[N@@H+]1C1CCCC1)CC(F)(F)F	REAL300007167837	0	58	0.0	-57.55	428.60	10.30	-47.25
O=C([O-])C(CCCCNC(=O)C1CCCC[N@H+]1C1CCCC1)CC(F)(F)F	REAL300007167837	1	58	0.0	-65.14	434.01	10.54	-54.60
CC1=[NH+]C=CN1CCCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167868	1	49	0.0	-72.41	407.32	9.63	-62.78
O=C([O-])C(CCCCNC(=O)CCCC[NH+]1CCOCC1)CC(F)(F)F	REAL300007167869	1	55	0.0	-79.17	435.06	8.33	-70.84
C[C@@H](C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+](C)C	REAL300007167875	0	44	0.0	-69.32	354.46	7.11	-62.21
C[N@@H+]1CCC[C@@H]1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167876	0	45	0.0	-61.21	350.99	7.09	-54.12
C[N@H+]1CCC[C@@H]1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167876	1	45	0.0	-68.74	362.63	7.79	-60.95
C[C@H](C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+](C)C	REAL300007167880	0	44	0.0	-70.52	354.52	7.12	-63.40
C[NH+](C)C1(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007167888	0	45	0.0	-74.39	358.78	8.42	-65.97
CCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+](CC)CC	REAL300007167952	0	53	0.0	-64.59	402.68	9.08	-55.51
CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300007167954	0	54	0.0	-71.99	431.35	10.74	-61.25
CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300007167954	1	54	0.0	-72.94	431.12	10.69	-62.25
C[NH+](C)CC1=CC=C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300007167973	0	50	0.0	-81.60	410.72	8.75	-72.85
CCC[NH+](CCC)CCCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167978	0	59	0.0	-74.92	458.91	10.94	-63.98
CC[N@H+](C)C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300007167979	0	54	0.0	-66.92	429.24	10.87	-56.05
CC[N@@H+](C)C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300007167979	1	54	0.0	-68.62	428.86	10.86	-57.76
C[N@@H+]1CCOC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007167980	1	46	0.0	-85.33	373.73	7.17	-78.16
C[N@H+]1CCOC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007167980	1	46	0.0	-83.32	373.73	7.17	-76.15
CC(C)C1=[NH+]C=CN1CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007167991	1	49	0.0	-67.71	402.45	9.46	-58.25
C[NH+](C)CC1(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007168006	0	48	0.0	-61.95	382.56	8.30	-53.65
C[NH+](C)CCCCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168012	0	50	0.0	-77.68	402.15	8.88	-68.80
CC(C)C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+](C)C	REAL300007168020	0	50	0.0	-67.58	382.66	8.35	-59.23
CC1=C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007168027	1	49	0.0	-82.27	410.96	8.58	-73.69
O=C([O-])C(CCCCNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)CC(F)(F)F	REAL300007168038	1	51	0.0	-80.66	420.20	8.83	-71.83
C[NH+](C)CCC1=CC=C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300007168039	0	54	0.0	-85.48	437.00	11.06	-74.42
CNC1=[NH+]C(C)=CC=C1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168048	1	47	0.0	-65.98	385.78	7.80	-58.18
CCC[N@H+](C)CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168055	0	47	0.0	-71.53	376.02	8.14	-63.39
CCC[N@@H+](C)CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168055	1	47	0.0	-71.18	375.58	8.12	-63.06
C[N@H+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1CCC1	REAL300007168076	0	48	0.0	-69.21	383.01	8.72	-60.49
C[N@@H+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1CCC1	REAL300007168076	1	48	0.0	-69.05	382.47	8.69	-60.36
CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+]1CCSCC1	REAL300007168095	1	49	0.0	-74.02	390.63	8.49	-65.53
C[N@H+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC(C)(C)C	REAL300007168097	0	53	0.0	-71.14	404.18	9.12	-62.02
C[N@@H+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC(C)(C)C	REAL300007168097	1	53	0.0	-70.69	406.13	9.27	-61.42
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168099	0	54	0.0	-74.53	435.49	11.16	-63.37
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168099	1	54	0.0	-74.62	435.49	11.16	-63.46
CC[C@@H](C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+](C)C	REAL300007168102	0	47	0.0	-68.60	370.65	8.34	-60.26
C[N@@H+]1CCCC(O)(CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007168104	0	52	0.0	-69.93	396.95	6.87	-63.06
C[N@H+]1CCCC(O)(CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007168104	1	52	0.0	-69.45	406.65	7.07	-62.38
CCCCCC[N@H+](C)CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168124	0	56	0.0	-72.42	440.52	10.48	-61.94
CCCCCC[N@@H+](C)CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168124	1	56	0.0	-72.18	440.08	10.47	-61.71
O=C([O-])C(CCCCNC(=O)C12CCC[NH+]1CCC2)CC(F)(F)F	REAL300007168135	0	49	0.0	-63.27	375.34	8.51	-54.76
O=C([O-])C(CCCCNC(=O)C1=CC2=C[NH+]=CN2C=C1)CC(F)(F)F	REAL300007168143	1	43	0.0	-80.34	366.79	10.24	-70.10
C[N@H+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1CCSC1	REAL300007168153	0	49	0.0	-76.37	397.07	8.94	-67.43
C[N@@H+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1CCSC1	REAL300007168153	1	49	0.0	-76.66	396.13	8.96	-67.70
CC(C)[NH+]1CCN(CCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007168169	0	59	0.0	-75.18	452.14	7.91	-67.27
CC(C)N1CC[NH+](CCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007168169	1	59	0.0	-74.78	448.02	7.69	-67.09
O=C([O-])C(CCCCNC(=O)C1CCCC2CCC[N@@H+]21)CC(F)(F)F	REAL300007168170	0	52	0.0	-64.57	400.94	9.55	-55.02
O=C([O-])C(CCCCNC(=O)C1CCCC2CCC[N@H+]21)CC(F)(F)F	REAL300007168170	1	52	0.0	-67.56	392.48	9.26	-58.30
C[NH+](C)CCN1C=C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300007168171	0	51	0.0	-83.07	420.66	8.22	-74.85
CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+](C)C	REAL300007168198	0	50	0.0	-69.40	392.03	9.07	-60.33
C[NH+](C)CCN1C=CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300007168212	0	51	0.0	-88.38	421.48	8.24	-80.14
C[NH+](C)CCN1N=CC=C1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168213	0	51	0.0	-67.79	416.12	8.18	-59.61
C[C@@H]1[C@H](C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC[N@@H+]1C	REAL300007168216	0	48	0.0	-76.55	372.89	7.68	-68.87
C[C@@H]1[C@H](C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC[N@H+]1C	REAL300007168216	1	48	0.0	-73.24	378.43	8.21	-65.03
CCC1=[NH+]C=CN1C(C)CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168218	1	52	0.0	-68.55	422.75	9.94	-58.61
CC[C@@H]1[C@@H](C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC[N@@H+]1C	REAL300007168221	0	51	0.0	-67.02	386.99	8.20	-58.82
CC[C@@H]1[C@@H](C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC[N@H+]1C	REAL300007168221	1	51	0.0	-71.23	397.37	8.93	-62.30
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168224	0	47	0.0	-69.26	382.97	8.50	-60.76
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168224	1	47	0.0	-68.36	388.88	9.00	-59.36
CC1C[N@H+](C)CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300007168230	1	49	0.0	-72.07	387.83	7.75	-64.32
CC1C[N@@H+](C)CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300007168230	1	49	0.0	-72.13	387.79	7.75	-64.38
O=C([O-])C(CCCCNC(=O)C[NH+]1CCCC1)CC(F)(F)F	REAL300007168236	0	45	0.0	-70.44	360.74	7.76	-62.68
CC1=[NH+]C=CN1CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168238	1	43	0.0	-69.36	365.19	8.32	-61.04
CC(C[NH+]1CCOCC1)C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168240	0	52	0.0	-75.07	407.66	7.45	-67.62
CC1CC[NH+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007168259	0	51	0.0	-71.66	399.31	9.21	-62.45
CC[N@@H+]1CCOC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007168270	1	49	0.0	-66.61	378.65	7.46	-59.15
CC[N@H+]1CCOC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007168270	1	49	0.0	-68.68	382.26	7.57	-61.11
O=C([O-])C(CCCCNC(=O)C1CC[N@@H+](C2CCCCC2)C1)CC(F)(F)F	REAL300007168302	0	58	0.0	-64.20	435.27	10.39	-53.81
O=C([O-])C(CCCCNC(=O)C1CC[N@H+](C2CCCCC2)C1)CC(F)(F)F	REAL300007168302	1	58	0.0	-64.97	435.26	10.39	-54.58
C[N@@H+]1CCCC1CCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168307	0	51	0.0	-77.49	403.73	9.21	-68.28
C[N@H+]1CCCC1CCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168307	1	51	0.0	-73.66	398.30	8.75	-64.91
O=C([O-])C(CCCCNC(=O)C12CCC[NH+](CCC1)C2)CC(F)(F)F	REAL300007168318	0	52	0.0	-74.31	394.18	8.94	-65.37
C[N@@H+]1CC(O)CC1(C)C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168320	0	49	0.0	-78.86	383.87	5.08	-73.78
C[N@H+]1CC(O)CC1(C)C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168320	1	49	0.0	-78.32	381.96	5.28	-73.04
O=C([O-])C(CCCCNC(=O)C1CCC2CCCC[N@@H+]21)CC(F)(F)F	REAL300007168321	0	52	0.0	-66.57	404.67	9.68	-56.89
O=C([O-])C(CCCCNC(=O)C1CCC2CCCC[N@H+]21)CC(F)(F)F	REAL300007168321	1	52	0.0	-66.29	404.64	9.67	-56.62
CC(C)(C[NH+]1CCOCC1)C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168328	0	55	0.0	-71.11	417.14	7.81	-63.30
CC[NH+](CC)CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168343	0	47	0.0	-69.58	367.80	7.79	-61.79
CC(C)[NH+]1CCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007168345	0	54	0.0	-75.31	412.05	9.35	-65.96
O=C([O-])C(CCCCNC(=O)C12CC[NH+](CC1)C2)CC(F)(F)F	REAL300007168422	0	46	0.0	-76.17	368.28	7.27	-68.90
CCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+](C)C	REAL300007168425	0	47	0.0	-67.17	366.68	7.74	-59.43
O=C([O-])C(CCCCNC(=O)C12CC[N@H+](C1)CCC2)CC(F)(F)F	REAL300007168433	0	49	0.0	-75.27	378.02	7.95	-67.32
O=C([O-])C(CCCCNC(=O)C12CC[N@@H+](C1)CCC2)CC(F)(F)F	REAL300007168433	1	49	0.0	-74.62	377.99	7.93	-66.69
CC1CCC(C)[NH+]1CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168476	0	51	0.0	-67.48	393.81	8.61	-58.87
C[NH+](C)CC1=CC=CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300007168477	0	51	0.0	-78.24	414.55	10.21	-68.03
C[NH+](C)C1(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CCC1	REAL300007168509	0	48	0.0	-64.52	364.81	7.72	-56.80
C#CC[NH+]1CCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007168531	0	50	0.0	-79.33	406.56	9.60	-69.73
CCC[N@@H+]1CCCCC1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168533	0	54	0.0	-66.28	417.40	9.73	-56.55
CCC[N@H+]1CCCCC1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168533	1	54	0.0	-68.21	418.10	9.70	-58.51
C[NH+](C)CC1=CC=CC=C1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168534	0	51	0.0	-62.29	407.18	10.43	-51.86
CC[NH+]1CCN(CCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007168536	0	56	0.0	-76.57	433.80	7.22	-69.35
CCN1CC[NH+](CCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007168536	1	56	0.0	-75.09	435.40	7.39	-67.70
CC(C)[N@H+](C)CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168537	0	47	0.0	-68.89	370.77	7.91	-60.98
CC(C)[N@@H+](C)CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168537	1	47	0.0	-68.67	370.77	7.92	-60.75
CC(C)C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+]1CCCCC1	REAL300007168538	0	57	0.0	-66.09	425.55	10.18	-55.91
C[NH+](C)C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300007168539	1	51	0.0	-67.94	411.48	10.23	-57.71
CC(C)C1=[NH+]C=CN1CCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168546	1	52	0.0	-67.95	421.79	9.88	-58.07
O=C([O-])C(CCCCNC(=O)C1CCC[N@@H+]1C1CCCC1)CC(F)(F)F	REAL300007168552	0	55	0.0	-70.65	412.76	10.08	-60.57
O=C([O-])C(CCCCNC(=O)C1CCC[N@H+]1C1CCCC1)CC(F)(F)F	REAL300007168552	1	55	0.0	-69.47	422.32	10.10	-59.37
CC[N@H+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1CC1	REAL300007168554	0	48	0.0	-67.32	381.60	8.52	-58.80
CC[N@@H+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1CC1	REAL300007168554	1	48	0.0	-68.77	382.73	8.74	-60.03
CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+]1CCCCCC1	REAL300007168574	0	54	0.0	-67.66	407.72	9.53	-58.13
C[N@@H+]1CCC[C@H]1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168577	0	45	0.0	-67.91	362.05	7.68	-60.23
C[N@H+]1CCC[C@H]1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168577	1	45	0.0	-69.41	356.40	7.27	-62.14
CC(C)(C)[NH2+]CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168640	0	47	0.0	-70.04	375.30	6.43	-63.61
CC[NH+](CC)CC1=CC=C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300007168641	0	54	0.0	-79.43	436.55	9.91	-69.52
O=C([O-])C(CCCCNC(=O)CCCC[NH+]1CCCC1)CC(F)(F)F	REAL300007168642	0	54	0.0	-75.99	428.12	10.05	-65.94
C[N@H+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300007168644	1	51	0.0	-75.48	413.00	10.31	-65.17
C[N@@H+](CC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300007168644	1	51	0.0	-75.60	413.45	10.32	-65.28
CC(C)[C@@H](C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])[NH+](C)C	REAL300007168652	0	50	0.0	-69.71	386.39	8.92	-60.79
O=C([O-])C(CCCCNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)CC(F)(F)F	REAL300007168670	1	46	0.0	-81.59	396.09	8.17	-73.42
C[NH+](C)CC1=CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])=NO1	REAL300007168688	1	47	0.0	-82.36	395.91	7.77	-74.59
CC(C)[N@@H+]1CCCC1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168701	0	51	0.0	-68.32	389.24	9.00	-59.32
CC(C)[N@H+]1CCCC1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168701	1	51	0.0	-67.18	395.15	8.84	-58.34
C[NH+]1CCC(OCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007168720	0	52	0.0	-82.03	416.75	8.83	-73.20
CCC[N@@H+]1CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007168862	0	54	0.0	-64.11	414.34	9.54	-54.57
CCC[N@H+]1CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007168862	1	54	0.0	-72.81	420.10	9.74	-63.07
CC(C)C[N@@H+]1CCCC1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168885	0	54	0.0	-68.00	421.26	9.89	-58.11
CC(C)C[N@H+]1CCCC1C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-]	REAL300007168885	1	54	0.0	-68.47	420.99	9.93	-58.54
O=C([O-])C(CCCCNC(=O)C[NH+]1CCC(CO)CC1)CC(F)(F)F	REAL300007168886	0	52	0.0	-72.54	410.14	5.90	-66.64
CC(C)[N@@H+]1CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169066	0	54	0.0	-56.13	403.25	9.51	-46.62
CC(C)[N@H+]1CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169066	1	54	0.0	-64.62	413.15	9.41	-55.21
C[N@@H+]1CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)C1	REAL300007169067	0	48	0.0	-73.14	386.54	8.19	-64.95
C[N@H+]1CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)C1	REAL300007169067	1	48	0.0	-79.54	392.64	8.54	-71.00
CC1=C(C)[NH+]=C(CCC(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])N1	REAL300007169090	1	49	0.0	-68.86	406.58	8.01	-60.85
C[NH+](C)CCC1=CC=CC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300007169473	0	54	0.0	-79.66	437.44	11.05	-68.61
C[NH+](C)[C@H]1C[C@H](C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169594	0	48	0.0	-75.59	385.89	8.45	-67.14
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300007169598	0	54	0.0	-67.01	408.65	9.42	-57.59
CC(C)C[N@@H+]1CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169653	0	57	0.0	-66.59	431.23	10.64	-55.95
CC(C)C[N@H+]1CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169653	1	57	0.0	-66.59	431.23	10.64	-55.95
CC[N@@H+]1CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169654	0	51	0.0	-63.88	392.86	8.80	-55.08
CC[N@H+]1CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169654	1	51	0.0	-63.88	392.86	8.80	-55.08
C[N@@H+]1CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169659	0	48	0.0	-65.05	374.66	8.54	-56.51
C[N@H+]1CCCC(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169659	1	48	0.0	-65.05	374.66	8.54	-56.51
CN(C)CC1=CC=C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300007169661	0	48	0.0	-82.87	401.38	8.55	-74.32
C[NH+](C)CC1=CC=C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300007169661	1	48	0.0	-82.87	401.38	8.55	-74.32
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169667	0	57	0.0	-77.09	426.35	9.84	-67.25
C[N@H+]1CCCC(C(C)(C)C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300007169667	1	57	0.0	-77.09	426.35	9.84	-67.25
O=C([O-])C(CCCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)CC(F)(F)F	REAL300007169670	0	50	0.0	-73.32	394.69	10.06	-63.26
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCCO1	REAL300007170754	0	54	0.0	-77.29	407.97	9.26	-68.03
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1CCCCO1	REAL300007172079	0	48	0.0	-69.89	356.96	7.33	-62.56
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3CCCCO3)CN21	REAL300007172104	1	46	0.0	-64.13	355.64	7.20	-56.93
CC1=NC(C[NH+]2CCC(C(=O)NC(C(=O)[O-])C3CCCCO3)CC2)=CS1	REAL300007172165	1	53	0.0	-76.61	415.02	6.96	-69.65
CC(C(=O)NC(C(=O)[O-])C1CCCCO1)N1CC[NH+](C)CC1	REAL300007172166	1	49	0.0	-72.70	360.93	4.27	-68.43
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300007172236	0	57	0.0	-81.32	439.22	8.79	-72.53
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCCO2)=C1	REAL300007172241	0	57	0.0	-80.99	440.02	11.12	-69.87
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCCO2)=C1	REAL300007172241	1	57	0.0	-80.02	439.96	11.13	-68.89
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CCCCO1	REAL300007172293	0	39	0.0	-71.89	315.33	7.56	-64.33
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2CCCCO2)CCCCC1	REAL300007172318	0	53	0.0	-50.58	373.34	7.34	-43.24
C[N@H+](CCC(=O)NC(C(=O)[O-])C1CCCCO1)C1CCCCC1	REAL300007172321	0	53	0.0	-68.16	385.33	7.61	-60.55
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1CCCCO1)C1CCCCC1	REAL300007172321	1	53	0.0	-68.58	386.66	7.97	-60.61
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CCCCO1	REAL300007172382	0	47	0.0	-84.35	376.15	6.68	-77.67
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1CCCCO1	REAL300007172398	0	55	0.0	-55.61	388.97	6.14	-49.47
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172426	1	45	0.0	-68.84	356.13	6.94	-61.90
O=C(CCCC[NH+]1CCOCC1)NC(C(=O)[O-])C1CCCCO1	REAL300007172427	1	51	0.0	-76.99	385.93	6.03	-70.96
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)C=C1)C(C)C	REAL300007172428	0	56	0.0	-83.25	403.80	8.78	-74.47
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)C=C1)C(C)C	REAL300007172428	1	56	0.0	-80.91	404.41	8.70	-72.21
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300007172446	0	51	0.0	-69.54	391.56	8.51	-61.03
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300007172446	1	51	0.0	-68.16	393.20	8.87	-59.29
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1CCCCO1	REAL300007172447	0	52	0.0	-73.94	384.94	7.67	-66.27
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(C(=O)[O-])C1CCCCO1	REAL300007172475	0	55	0.0	-67.62	382.53	5.93	-61.69
CCC(C(=O)NC(C(=O)[O-])C1CCCCO1)[NH+](CC)CC	REAL300007172479	0	49	0.0	-55.17	353.89	6.74	-48.43
CC(C(=O)NC(C(=O)[O-])C1CCCCO1)[N@H+](C)CC1=CC=CC=C1	REAL300007172481	0	50	0.0	-63.16	380.26	8.04	-55.12
CC(C(=O)NC(C(=O)[O-])C1CCCCO1)[N@@H+](C)CC1=CC=CC=C1	REAL300007172481	1	50	0.0	-64.39	381.80	8.04	-56.35
O=C([O-])C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CCCCO1	REAL300007172489	0	57	0.0	-73.32	430.83	10.50	-62.82
O=C([O-])C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CCCCO1	REAL300007172489	1	57	0.0	-56.94	420.22	10.23	-46.71
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)C=N1	REAL300007172505	0	46	0.0	-79.01	361.64	6.07	-72.94
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172512	0	55	0.0	-72.07	405.75	8.35	-63.72
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172520	1	45	0.0	-60.17	352.56	6.77	-53.40
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CCCCO1	REAL300007172533	0	51	0.0	-85.55	389.88	8.67	-76.88
O=C([O-])C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CCCCO1	REAL300007172538	0	54	0.0	-76.80	406.63	9.37	-67.43
CCN1CCC([NH+]2CCC(C(=O)NC(C(=O)[O-])C3CCCCO3)CC2)CC1	REAL300007172544	0	62	0.0	-71.12	438.40	7.19	-63.93
CC1C[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCCO3)C=C2)CC(C)O1	REAL300007172551	1	58	0.0	-87.81	440.66	8.81	-79.00
O=C([O-])C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCCCO1	REAL300007172562	1	55	0.0	-78.15	411.81	8.48	-69.67
O=C([O-])C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCCCO1	REAL300007172562	1	55	0.0	-80.13	419.50	8.56	-71.57
CC1=C(C(=O)NC(C(=O)[O-])C2CCCCO2)C=NN1C1=CC=[NH+]C=C1	REAL300007172578	1	45	0.0	-82.27	361.33	6.31	-75.96
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCCO1	REAL300007172581	0	54	0.0	-83.79	406.89	9.80	-73.99
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1CCCCO1	REAL300007172592	1	47	0.0	-80.47	368.57	6.13	-74.34
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300007172593	0	50	0.0	-87.38	388.31	8.76	-78.62
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172598	1	43	0.0	-60.41	336.96	5.51	-54.90
O=C([O-])C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCCCO1	REAL300007172599	1	52	0.0	-56.72	392.12	7.91	-48.81
O=C([O-])C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCCCO1	REAL300007172599	1	52	0.0	-68.95	402.17	8.49	-60.46
CC(C(=O)NC(C(=O)[O-])C1CCCCO1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007172609	0	60	0.0	-62.31	445.16	10.50	-51.81
C[N@H+](CC(=O)NC(C(=O)[O-])C1CCCCO1)CC(C)(C)C	REAL300007172644	0	49	0.0	-61.15	354.75	6.44	-54.71
C[N@@H+](CC(=O)NC(C(=O)[O-])C1CCCCO1)CC(C)(C)C	REAL300007172644	1	49	0.0	-61.31	357.30	6.93	-54.38
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172646	0	50	0.0	-64.46	386.80	8.87	-55.59
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172646	1	50	0.0	-62.83	384.29	8.48	-54.35
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172647	0	54	0.0	-68.49	415.34	5.06	-63.43
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172647	1	54	0.0	-69.77	413.34	4.66	-65.11
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300007172650	0	48	0.0	-61.36	347.56	4.18	-57.18
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300007172650	1	48	0.0	-66.78	358.54	4.75	-62.03
O=C([O-])C(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCCO1	REAL300007172657	0	59	0.0	-75.20	441.47	8.59	-66.61
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172659	0	52	0.0	-62.63	390.64	7.78	-54.85
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172659	1	52	0.0	-61.89	390.90	8.20	-53.69
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1CCCCO1	REAL300007172669	1	39	0.0	-79.81	317.36	7.55	-72.26
C[N@H+](CC(=O)NC(C(=O)[O-])C1CCCCO1)C1CCSC1	REAL300007172685	0	45	0.0	-63.32	344.51	6.29	-57.03
C[N@@H+](CC(=O)NC(C(=O)[O-])C1CCCCO1)C1CCSC1	REAL300007172685	1	45	0.0	-66.22	346.52	6.68	-59.54
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007172699	0	55	0.0	-72.01	403.02	5.60	-66.41
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007172699	1	55	0.0	-67.39	398.84	5.42	-61.97
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007172700	0	58	0.0	-71.38	422.01	6.02	-65.36
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007172700	1	58	0.0	-71.68	420.83	6.20	-65.48
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1CCCCO1	REAL300007172701	0	48	0.0	-55.22	349.71	6.89	-48.33
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1CCCCO1	REAL300007172701	1	48	0.0	-59.53	343.86	7.03	-52.50
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2CCCCO2)C=N1	REAL300007172703	0	47	0.0	-83.95	371.23	5.53	-78.42
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C(=O)[O-])C3CCCCO3)CC2)=C1	REAL300007172706	0	59	0.0	-71.03	441.38	8.45	-62.58
O=C([O-])C(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCCO1	REAL300007172708	0	56	0.0	-71.71	420.46	7.76	-63.95
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CCCCO1	REAL300007172710	0	53	0.0	-69.69	396.75	7.66	-62.03
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1CCCCO1	REAL300007172710	1	53	0.0	-68.54	394.93	7.68	-60.86
CC(C(=O)NC(C(=O)[O-])C1CCCCO1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007172715	1	51	0.0	-58.90	385.27	8.40	-50.50
CC(C(=O)NC(C(=O)[O-])C1CCCCO1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007172715	1	51	0.0	-57.87	385.54	8.81	-49.06
O=C([O-])C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300007172738	0	54	0.0	-75.51	410.57	9.60	-65.91
O=C([O-])C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300007172738	1	54	0.0	-75.38	412.54	9.69	-65.69
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300007172751	0	47	0.0	-87.67	371.87	5.96	-81.71
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172752	0	47	0.0	-60.43	368.16	5.98	-54.45
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172753	1	48	0.0	-62.86	371.11	7.25	-55.61
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2CCCCO2)O1	REAL300007172763	1	45	0.0	-74.68	338.25	4.80	-69.88
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2CCCCO2)O1	REAL300007172763	1	45	0.0	-81.77	346.85	5.57	-76.20
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1CCCCO1	REAL300007172767	0	54	0.0	-71.41	414.48	9.28	-62.13
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CCCCO1	REAL300007172767	1	54	0.0	-70.92	412.67	9.29	-61.63
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007172772	0	48	0.0	-68.60	358.98	5.15	-63.45
O=C([O-])C(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CCCCO1	REAL300007172773	0	55	0.0	-70.95	418.20	7.18	-63.77
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300007172792	1	45	0.0	-71.15	333.19	4.98	-66.17
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300007172792	1	45	0.0	-72.35	335.02	4.95	-67.40
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007172817	1	54	0.0	-77.49	408.73	7.59	-69.90
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CCCCO1	REAL300007172818	0	54	0.0	-67.37	391.13	7.97	-59.40
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1CCCCO1	REAL300007172818	1	54	0.0	-68.45	391.86	8.33	-60.12
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1CCCCO1	REAL300007172834	0	48	0.0	-57.28	348.94	6.89	-50.39
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1CCCCO1	REAL300007172834	1	48	0.0	-62.85	348.61	6.52	-56.33
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C(=O)[O-])C3CCCCO3)=C2)CC1	REAL300007172848	0	56	0.0	-83.89	424.44	7.34	-76.55
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCCO3)C=C2)CC1	REAL300007172849	0	56	0.0	-81.10	423.07	7.18	-73.92
CN1CC[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCCO3)C=C2)CC1	REAL300007172849	1	56	0.0	-85.82	423.42	7.24	-78.58
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300007172850	0	57	0.0	-82.62	427.00	8.79	-73.83
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007172857	0	50	0.0	-73.70	365.79	6.88	-66.82
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1CCCCO1	REAL300007172947	0	58	0.0	-88.12	439.06	7.09	-81.03
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCCO2)=C1	REAL300007172951	0	47	0.0	-80.06	365.07	7.52	-72.54
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300007172952	0	54	0.0	-64.36	401.77	9.42	-54.94
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300007172952	1	54	0.0	-68.38	408.01	9.21	-59.17
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007173000	0	46	0.0	-75.10	356.90	7.24	-67.86
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007173003	0	52	0.0	-73.53	385.64	5.09	-68.44
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007173003	1	52	0.0	-68.12	386.28	5.08	-63.04
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007173010	1	48	0.0	-63.38	373.08	7.58	-55.80
CC(C(=O)NC(C(=O)[O-])C1CCCCO1)[NH+]1CCCCCC1	REAL300007173038	0	50	0.0	-56.78	351.49	6.64	-50.14
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CCCCO3)=CC=C1N2	REAL300007173069	1	52	0.0	-85.89	399.86	7.96	-77.93
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CCCCO3)=CC=C1N2	REAL300007173069	1	52	0.0	-84.68	400.33	8.36	-76.32
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)O1	REAL300007173113	0	50	0.0	-77.30	383.36	7.39	-69.91
O=C(CCCC[NH+]1CCCC1)NC(C(=O)[O-])C1CCCCO1	REAL300007173114	0	50	0.0	-73.52	378.51	7.76	-65.76
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3CCCCO3)CC2)[NH+]=C1	REAL300007173116	1	53	0.0	-71.94	399.19	7.12	-64.82
C[N@H+](CC(=O)NC(C(=O)[O-])C1CCCCO1)CC1=CC=CC=C1	REAL300007173117	1	47	0.0	-64.83	363.57	7.63	-57.20
C[N@@H+](CC(=O)NC(C(=O)[O-])C1CCCCO1)CC1=CC=CC=C1	REAL300007173117	1	47	0.0	-64.82	363.63	7.63	-57.19
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C(=O)[O-])C3CCCCO3)C=C2)CC1	REAL300007173121	0	59	0.0	-86.41	433.08	7.90	-78.51
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CCCCO1	REAL300007173133	1	42	0.0	-80.38	346.83	5.92	-74.46
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2CCCCO2)=NO1	REAL300007173155	1	43	0.0	-83.46	345.00	5.00	-78.46
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007173160	0	54	0.0	-71.61	408.37	9.05	-62.56
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCCCO1	REAL300007173160	1	54	0.0	-69.53	405.60	9.35	-60.18
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300007173183	0	55	0.0	-85.00	427.64	8.51	-76.49
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007173195	0	48	0.0	-81.06	366.86	6.12	-74.94
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CCCCO1	REAL300007173201	0	51	0.0	-80.20	392.00	7.62	-72.58
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300007173337	0	50	0.0	-67.09	370.67	7.05	-60.04
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300007173337	1	50	0.0	-65.74	368.88	7.06	-58.68
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1CCCCO1	REAL300007173364	1	48	0.0	-62.93	360.58	3.63	-59.30
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300007173535	0	50	0.0	-67.48	365.80	6.82	-60.66
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300007173535	1	50	0.0	-66.85	366.06	7.24	-59.61
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2CCCCO2)C(C(F)(F)F)C1	REAL300007173536	0	44	0.0	-60.39	351.26	6.23	-54.16
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2CCCCO2)C(C(F)(F)F)C1	REAL300007173536	1	44	0.0	-76.26	336.92	6.33	-69.93
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2CCCCO2)N1	REAL300007173560	1	45	0.0	-63.69	357.15	5.31	-58.38
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCCO2)=C1	REAL300007173944	0	50	0.0	-82.57	387.56	8.36	-74.21
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300007173951	0	51	0.0	-84.75	395.60	7.72	-77.03
O=C([O-])C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCCO1	REAL300007174033	0	57	0.0	-68.41	424.92	9.98	-58.43
CC1C[N@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCCO3)C=C2)CCO1	REAL300007174035	1	55	0.0	-86.04	413.17	8.09	-77.95
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCCO3)C=C2)CCO1	REAL300007174035	1	55	0.0	-86.43	412.48	7.70	-78.73
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300007174063	0	50	0.0	-58.41	360.53	7.09	-51.32
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3CCCCO3)=CN21	REAL300007174068	0	42	0.0	-69.03	338.50	7.32	-61.71
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300007174117	0	53	0.0	-67.97	386.55	7.76	-60.21
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300007174117	1	53	0.0	-61.88	382.57	8.35	-53.53
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)O1	REAL300007174123	1	44	0.0	-79.61	352.21	6.25	-73.36
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CCCCO1	REAL300007174131	1	46	0.0	-62.81	342.99	6.69	-56.12
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1CCCCO1	REAL300007174131	1	46	0.0	-61.87	340.43	7.26	-54.61
O=C([O-])C12CCC(CC1NC(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300007175458	0	54	0.0	-83.77	398.02	11.86	-71.91
O=C([O-])C12CCC(CC1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300007176228	0	51	0.0	-50.86	376.73	10.07	-40.79
O=C([O-])C12CCC(CC1NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300007176228	1	51	0.0	-44.34	376.54	10.20	-34.14
O=C([O-])C12CCC(CC1NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C2	REAL300007177077	1	51	0.0	-53.63	393.50	10.59	-43.04
O=C([O-])C12CCC(CC1NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C2	REAL300007177077	1	51	0.0	-45.68	393.34	10.72	-34.96
O=C([O-])C12CCC(CC1NC(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300007177152	0	48	0.0	-55.81	352.36	9.16	-46.65
CC1=[NH+]C=C2CCC(C(=O)NC3CC4CCC3(C(=O)[O-])C4)CN21	REAL300007177180	1	46	0.0	-67.35	344.87	9.19	-58.16
O=C([O-])C12CCC(CC1NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300007177181	0	54	0.0	-79.23	392.74	12.15	-67.08
CC1=NC(C[NH+]2CCC(C(=O)NC3CC4CCC3(C(=O)[O-])C4)CC2)=CS1	REAL300007177257	1	53	0.0	-80.43	405.62	9.32	-71.11
CC(C(=O)NC1CC2CCC1(C(=O)[O-])C2)N1CC[NH+](C)CC1	REAL300007177258	1	49	0.0	-65.06	351.58	5.96	-59.10
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2CC3CCC2(C(=O)[O-])C3)C=C1	REAL300007177342	0	57	0.0	-89.49	431.06	11.38	-78.11
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)=C1	REAL300007177354	0	57	0.0	-81.03	431.97	13.43	-67.60
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)=C1	REAL300007177354	1	57	0.0	-82.43	431.93	13.43	-69.00
CC1(C(=O)NC2CC3CCC2(C(=O)[O-])C3)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007177356	0	57	0.0	-66.11	415.34	11.54	-54.57
C[NH+](C)CC1(C(=O)NC2CC3CCC2(C(=O)[O-])C3)CCCCC1	REAL300007177441	0	53	0.0	-66.33	361.64	9.36	-56.97
C[N@H+](CCC(=O)NC1CC2CCC1(C(=O)[O-])C2)C1CCCCC1	REAL300007177445	0	53	0.0	-73.05	375.40	10.21	-62.84
C[N@@H+](CCC(=O)NC1CC2CCC1(C(=O)[O-])C2)C1CCCCC1	REAL300007177445	1	53	0.0	-73.84	375.40	10.21	-63.63
O=C([O-])C12CCC(CC1NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300007177468	1	54	0.0	-56.75	406.75	11.14	-45.61
O=C([O-])C12CCC(CC1NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300007177468	1	54	0.0	-48.01	406.52	11.14	-36.87
O=C([O-])C12CCC(CC1NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300007177469	1	51	0.0	-54.48	383.18	10.14	-44.34
O=C([O-])C12CCC(CC1NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300007177469	1	51	0.0	-46.36	383.02	10.27	-36.09
O=C([O-])C12CCC(CC1NC(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300007177526	0	47	0.0	-66.83	367.79	8.73	-58.10
C[NH+](C)CCN1N=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)=C1C1=CC=CC=C1	REAL300007177531	0	57	0.0	-74.33	433.91	10.90	-63.43
O=C([O-])C12CCC(CC1NC(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300007177556	0	54	0.0	-64.37	373.74	10.36	-54.01
O=C([O-])C12CCC(CC1NC(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300007177556	1	54	0.0	-61.92	374.65	10.15	-51.77
O=C([O-])C12CCC(CC1NC(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300007177557	0	55	0.0	-82.24	388.83	8.61	-73.63
CC1=[NH+]C=CN1CCCC(=O)NC1CC2CCC1(C(=O)[O-])C2	REAL300007177588	1	45	0.0	-74.70	347.95	9.52	-65.18
O=C(CCCC[NH+]1CCOCC1)NC1CC2CCC1(C(=O)[O-])C2	REAL300007177589	1	51	0.0	-81.42	375.24	8.21	-73.21
CC[N@H+](CC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C=C1)C(C)C	REAL300007177591	0	56	0.0	-84.58	404.08	11.40	-73.18
CC[N@@H+](CC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C=C1)C(C)C	REAL300007177591	1	56	0.0	-70.15	399.51	10.56	-59.59
O=C([O-])C12CCC(CC1NC(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007177616	0	51	0.0	-60.54	386.71	10.40	-50.14
O=C([O-])C12CCC(CC1NC(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007177616	1	51	0.0	-57.32	381.87	10.47	-46.85
O=C([O-])C12CCC(CC1NC(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300007177617	0	52	0.0	-77.48	376.90	9.98	-67.50
C[NH+]1CCN(C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C2=CC=CC=C2)CC1	REAL300007177646	1	56	0.0	-66.24	413.54	9.77	-56.47
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1CC2CCC1(C(=O)[O-])C2	REAL300007177647	0	55	0.0	-73.13	374.45	8.17	-64.96
CC(C(=O)NC1CC2CCC1(C(=O)[O-])C2)[N@H+](C)CC1=CC=CC=C1	REAL300007177650	0	50	0.0	-61.84	370.72	10.26	-51.58
CC(C(=O)NC1CC2CCC1(C(=O)[O-])C2)[N@@H+](C)CC1=CC=CC=C1	REAL300007177650	1	50	0.0	-52.19	373.44	10.11	-42.08
O=C([O-])C12CCC(CC1NC(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300007177661	0	57	0.0	-75.20	420.91	12.46	-62.74
O=C([O-])C12CCC(CC1NC(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300007177661	1	57	0.0	-58.29	418.98	12.18	-46.11
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C=N1	REAL300007177690	0	46	0.0	-71.85	355.91	7.92	-63.93
CCC[NH+](CCC)CCCC(=O)NC1CC2CCC1(C(=O)[O-])C2	REAL300007177701	0	55	0.0	-74.83	395.03	10.57	-64.26
O=C([O-])C12CCC(CC1NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C2	REAL300007177702	1	55	0.0	-68.02	405.94	8.17	-59.85
CC[N@H+](C)C(C(=O)NC1CC2CCC1(C(=O)[O-])C2)C1=CC=CC=C1	REAL300007177703	0	50	0.0	-53.86	369.04	10.44	-43.42
CC[N@@H+](C)C(C(=O)NC1CC2CCC1(C(=O)[O-])C2)C1=CC=CC=C1	REAL300007177703	1	50	0.0	-63.74	369.54	10.46	-53.28
CC[NH+](CC)C(C(=O)NC1CC2CCC1(C(=O)[O-])C2)C1=CC=CC=C1	REAL300007177708	0	53	0.0	-57.29	373.45	10.47	-46.82
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC2CCC1(C(=O)[O-])C2	REAL300007177714	1	45	0.0	-63.86	342.73	9.35	-54.51
C[NH+](C)C(C(=O)NC1CC2CCC1(C(=O)[O-])C2)C1=CC=C(Cl)C=C1	REAL300007177716	1	47	0.0	-70.03	368.45	10.59	-59.44
O=C([O-])C12CCC(CC1NC(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300007177730	0	51	0.0	-93.40	379.94	11.28	-82.12
O=C([O-])C12CCC(CC1NC(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300007177737	0	54	0.0	-78.86	396.83	11.68	-67.18
CCN1CCC([NH+]2CCC(C(=O)NC3CC4CCC3(C(=O)[O-])C4)CC2)CC1	REAL300007177744	0	62	0.0	-79.18	430.84	9.16	-70.02
CC1C[NH+](CC2=CC=C(C(=O)NC3CC4CCC3(C(=O)[O-])C4)C=C2)CC(C)O1	REAL300007177751	1	58	0.0	-95.71	430.00	11.02	-84.69
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1CC2CCC1(C(=O)[O-])C2	REAL300007177762	1	55	0.0	-68.65	409.27	10.38	-58.27
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1CC2CCC1(C(=O)[O-])C2	REAL300007177762	1	55	0.0	-84.02	404.66	10.78	-73.24
O=C([O-])C12CCC(CC1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300007177777	0	54	0.0	-48.25	390.91	10.90	-37.35
O=C([O-])C12CCC(CC1NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300007177777	1	54	0.0	-52.99	390.72	10.90	-42.09
CC1=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C=NN1C1=CC=[NH+]C=C1	REAL300007177779	1	45	0.0	-85.59	353.13	8.39	-77.20
O=C([O-])C12CCC(CC1NC(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300007177787	0	54	0.0	-93.51	396.68	11.99	-81.52
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O=C([O-])C12CCC(CC1NC(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)C2	REAL300007178886	1	55	0.0	-77.16	408.26	11.90	-65.26
O=C([O-])C12CCC(CC1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C2	REAL300007178924	1	54	0.0	-44.37	403.49	11.35	-33.02
O=C([O-])C12CCC(CC1NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C2	REAL300007178924	1	54	0.0	-55.29	403.54	11.30	-43.99
CC(C)[N@@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C1	REAL300007179013	0	50	0.0	-54.84	357.27	8.88	-45.96
CC(C)[N@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C1	REAL300007179013	1	50	0.0	-57.01	360.51	8.69	-48.32
C[N@@H+]1CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300007179014	0	44	0.0	-87.43	341.31	8.22	-79.21
C[N@H+]1CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300007179014	1	44	0.0	-66.50	328.46	7.62	-58.88
CC1=C(C)[NH+]=C(CCC(=O)NC2CC3CCC2(C(=O)[O-])C3)N1	REAL300007179040	1	45	0.0	-65.28	347.31	7.63	-57.65
C[NH+](C)CCC1=CC=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)=C1	REAL300007179514	0	50	0.0	-83.75	377.77	10.66	-73.09
C[NH+](C)CCOC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C=C1	REAL300007179520	0	51	0.0	-89.02	385.05	9.60	-79.42
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1CC2CCC1(C(=O)[O-])C2	REAL300007179610	0	57	0.0	-76.83	416.65	12.51	-64.32
CC1C[N@H+](CC2=CC=C(C(=O)NC3CC4CCC3(C(=O)[O-])C4)C=C2)CCO1	REAL300007179612	1	55	0.0	-90.43	409.13	10.03	-80.40
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CC4CCC3(C(=O)[O-])C4)C=C2)CCO1	REAL300007179612	1	55	0.0	-94.85	402.83	10.05	-84.80
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CC3CCC2(C(=O)[O-])C3)CC1	REAL300007179655	0	50	0.0	-50.19	351.13	8.82	-41.37
CC(C)C[N@@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C1	REAL300007179721	0	53	0.0	-59.72	383.56	9.52	-50.20
CC(C)C[N@H+]1CCCC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C1	REAL300007179721	1	53	0.0	-59.72	383.56	9.52	-50.20
CN(C)CC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)O1	REAL300007179726	0	44	0.0	-66.04	345.20	7.96	-58.08
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)O1	REAL300007179726	1	44	0.0	-66.04	345.20	7.96	-58.08
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CC3CCC2(C(=O)[O-])C3)C1	REAL300007179731	0	53	0.0	-65.07	368.52	9.20	-55.87
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CC3CCC2(C(=O)[O-])C3)C1	REAL300007179731	1	53	0.0	-65.07	368.52	9.20	-55.87
O=C([O-])C12CCC(CC1NC(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300007179734	0	46	0.0	-52.72	333.29	8.95	-43.77
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CC(Br)=C1	REAL300007180755	0	44	0.0	-68.10	367.72	9.65	-58.45
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=CC(Br)=C3)CN12	REAL300007180773	1	42	0.0	-61.41	361.52	9.33	-52.08
C[NH+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007180809	0	33	0.0	-59.12	293.63	6.65	-52.47
CC(C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)N1CC[NH+](C)CC1	REAL300007180810	1	45	0.0	-69.31	366.91	6.49	-62.82
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007180834	0	40	0.0	-57.35	335.22	8.23	-49.12
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007180834	1	40	0.0	-57.23	323.39	7.99	-49.24
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300007180865	0	40	0.0	-73.56	338.51	8.23	-65.33
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CC(Br)=C1	REAL300007180888	0	35	0.0	-69.26	323.78	10.16	-59.10
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CCCCC1	REAL300007180904	0	49	0.0	-51.95	380.29	9.89	-42.06
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CCCCC1	REAL300007180907	0	49	0.0	-65.12	392.32	10.18	-54.94
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CCCCC1	REAL300007180907	1	49	0.0	-65.17	392.07	10.24	-54.93
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007180915	0	37	0.0	-57.02	319.32	7.61	-49.41
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007180915	1	37	0.0	-55.12	319.74	7.62	-47.50
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300007180948	0	40	0.0	-73.56	338.51	8.23	-65.33
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007180973	1	41	0.0	-65.98	364.63	9.55	-56.43
O=C([O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=CC(Br)=C1	REAL300007180974	1	47	0.0	-73.88	392.13	8.17	-65.71
C[C@@H](C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300007180978	0	36	0.0	-59.75	311.96	6.99	-52.76
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007180979	0	37	0.0	-55.82	313.86	7.13	-48.69
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007180979	1	37	0.0	-58.14	319.95	7.71	-50.43
C[C@H](C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300007180982	0	36	0.0	-59.71	312.07	6.99	-52.72
CCC(C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+](CC)CC	REAL300007181031	0	45	0.0	-52.61	356.47	8.59	-44.02
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300007181043	0	42	0.0	-76.75	367.81	8.20	-68.55
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181045	0	51	0.0	-68.03	411.96	10.49	-57.54
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007181046	1	38	0.0	-73.19	331.06	7.10	-66.09
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007181046	1	38	0.0	-66.36	323.91	6.94	-59.42
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181054	1	41	0.0	-55.91	358.91	9.37	-46.54
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300007181062	0	40	0.0	-65.64	346.36	8.36	-57.28
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181066	0	42	0.0	-72.66	359.24	8.72	-63.94
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181088	1	39	0.0	-57.94	343.20	7.65	-50.29
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181092	0	39	0.0	-58.34	333.13	7.99	-50.35
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181092	1	39	0.0	-57.52	332.50	8.05	-49.47
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CCC1	REAL300007181103	0	40	0.0	-55.71	340.08	8.57	-47.14
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CCC1	REAL300007181103	1	40	0.0	-56.01	340.02	8.56	-47.45
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)CC(C)(C)C	REAL300007181115	0	45	0.0	-58.02	363.53	9.06	-48.96
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)CC(C)(C)C	REAL300007181115	1	45	0.0	-58.03	363.99	9.14	-48.89
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300007181117	0	39	0.0	-53.67	324.07	7.66	-46.01
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007181119	0	44	0.0	-66.27	361.11	7.07	-59.20
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007181119	1	44	0.0	-67.51	351.59	6.82	-60.69
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181130	0	48	0.0	-59.34	397.63	10.34	-49.00
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181130	1	48	0.0	-58.47	397.00	10.39	-48.08
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=CC(Br)=C1	REAL300007181140	1	35	0.0	-76.87	324.29	10.09	-66.78
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CCSC1	REAL300007181144	0	41	0.0	-61.86	353.11	8.83	-53.03
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CCSC1	REAL300007181144	1	41	0.0	-62.64	352.59	8.85	-53.79
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=CC(Br)=C1	REAL300007181158	0	44	0.0	-52.03	358.27	9.42	-42.61
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=CC(Br)=C1	REAL300007181158	1	44	0.0	-52.03	358.28	9.42	-42.61
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300007181159	0	43	0.0	-78.93	377.92	8.14	-70.79
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300007181180	0	43	0.0	-85.70	378.33	8.17	-77.53
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181181	0	43	0.0	-55.56	373.47	8.06	-47.50
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300007181183	0	40	0.0	-66.11	330.83	7.85	-58.26
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300007181183	1	40	0.0	-62.82	331.57	7.92	-54.90
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181184	1	44	0.0	-60.54	379.61	9.86	-50.68
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300007181186	0	43	0.0	-69.03	349.94	8.35	-60.68
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300007181186	1	43	0.0	-59.70	354.92	8.80	-50.90
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300007181190	1	41	0.0	-73.45	352.46	7.76	-65.69
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300007181190	1	41	0.0	-73.38	345.78	7.75	-65.63
O=C([O-])C(NC(=O)C[NH+]1CCCC1)C1=CC=CC(Br)=C1	REAL300007181195	0	37	0.0	-56.72	317.61	7.67	-49.05
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181197	1	35	0.0	-56.02	322.69	8.24	-47.78
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181199	0	44	0.0	-64.53	364.59	7.35	-57.18
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300007181218	0	43	0.0	-58.29	356.47	9.07	-49.22
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007181226	1	41	0.0	-70.74	348.80	7.77	-62.97
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007181226	1	41	0.0	-52.82	341.37	7.56	-45.26
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181248	0	43	0.0	-67.90	357.43	8.92	-58.98
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181248	1	43	0.0	-66.05	355.79	8.62	-57.43
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=CC(Br)=C1	REAL300007181256	0	44	0.0	-51.84	361.72	9.54	-42.30
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=CC(Br)=C1	REAL300007181256	1	44	0.0	-55.27	354.37	9.14	-46.13
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181268	0	39	0.0	-57.64	329.98	7.93	-49.71
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300007181270	0	46	0.0	-69.75	369.15	9.20	-60.55
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C1=CC=CC(Br)=C1	REAL300007181315	0	38	0.0	-66.63	325.24	7.17	-59.46
CCC(C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300007181318	0	39	0.0	-58.03	324.35	7.59	-50.44
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=CC(Br)=C1	REAL300007181324	0	41	0.0	-68.91	335.44	7.84	-61.07
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=CC(Br)=C1	REAL300007181324	1	41	0.0	-66.10	335.48	7.80	-58.30
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181350	0	43	0.0	-55.19	350.93	8.47	-46.72
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300007181351	0	43	0.0	-74.76	372.03	10.08	-64.68
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300007181383	0	42	0.0	-72.35	362.95	9.46	-62.89
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300007181384	0	48	0.0	-72.45	392.01	7.20	-65.25
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300007181384	1	48	0.0	-64.48	392.46	7.23	-57.25
CC(C)[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181385	0	39	0.0	-54.92	327.68	7.82	-47.10
CC(C)[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181385	1	39	0.0	-55.75	328.32	7.77	-47.98
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181389	1	44	0.0	-59.43	379.10	9.80	-49.63
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CC1	REAL300007181394	0	40	0.0	-54.17	338.50	8.43	-45.74
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CC1	REAL300007181394	1	40	0.0	-55.70	340.02	8.64	-47.06
CC(C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+]1CCCCCC1	REAL300007181407	0	46	0.0	-58.41	358.40	9.27	-49.14
C[N@@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181410	0	37	0.0	-54.63	318.94	7.59	-47.04
C[N@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181410	1	37	0.0	-59.20	313.86	7.14	-52.06
CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181448	0	39	0.0	-56.68	332.83	6.29	-50.39
O=C([O-])C(NC(=O)CCCC[NH+]1CCCC1)C1=CC=CC(Br)=C1	REAL300007181449	0	46	0.0	-70.31	384.59	9.94	-60.37
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)CC1=CC=CC=C1	REAL300007181451	1	43	0.0	-60.60	369.91	10.22	-50.38
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)CC1=CC=CC=C1	REAL300007181451	1	43	0.0	-60.87	370.37	10.25	-50.62
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=NO1	REAL300007181476	1	39	0.0	-79.34	352.00	7.55	-71.79
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181485	0	43	0.0	-54.16	355.73	8.79	-45.37
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300007181485	1	43	0.0	-53.44	352.20	8.61	-44.83
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300007181496	0	44	0.0	-77.61	373.86	8.67	-68.94
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007181580	0	46	0.0	-62.92	377.38	9.68	-53.24
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007181580	1	46	0.0	-55.45	371.39	9.81	-45.64
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=CC(Br)=C1	REAL300007181593	1	44	0.0	-59.02	367.69	5.76	-53.26
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007181695	0	46	0.0	-54.93	366.50	9.57	-45.36
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007181695	1	46	0.0	-60.15	372.56	9.45	-50.70
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)N1	REAL300007181709	1	41	0.0	-60.37	364.14	7.86	-52.51
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007182004	0	40	0.0	-69.43	343.36	8.37	-61.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300007182008	0	46	0.0	-65.52	365.95	9.36	-56.16
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC=CC(Br)=C3)=CN12	REAL300007182010	0	38	0.0	-65.32	344.84	9.92	-55.40
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007182041	0	49	0.0	-62.95	395.02	10.27	-52.68
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007182041	1	49	0.0	-53.67	387.89	10.55	-43.12
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007182042	0	43	0.0	-61.48	356.12	8.86	-52.62
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007182042	1	43	0.0	-64.65	355.88	8.92	-55.73
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007182047	0	40	0.0	-53.85	332.21	8.42	-45.43
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300007182047	1	40	0.0	-67.09	338.21	8.26	-58.83
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300007182049	1	40	0.0	-77.81	358.39	8.39	-69.42
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=CC(Br)=C1	REAL300007182056	1	42	0.0	-60.67	346.93	9.00	-51.67
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=CC(Br)=C1	REAL300007182056	1	42	0.0	-61.33	358.19	9.28	-52.05
CSCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300007182227	0	49	0.0	-45.82	366.74	8.38	-37.44
CSCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300007182227	1	49	0.0	-45.27	361.57	8.36	-36.91
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007183581	0	54	0.0	-54.46	392.04	11.55	-42.91
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300007184351	0	51	0.0	-46.40	376.35	10.91	-35.49
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300007184351	1	51	0.0	-44.57	374.93	10.99	-33.58
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300007185200	1	51	0.0	-44.76	385.71	10.99	-33.77
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300007185200	1	51	0.0	-48.30	392.31	11.38	-36.92
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[NH+](C2CC2)CC1	REAL300007185275	0	48	0.0	-52.57	341.12	9.08	-43.49
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])CN21	REAL300007185303	1	46	0.0	-49.25	340.65	8.98	-40.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300007185304	0	54	0.0	-48.38	394.22	11.47	-36.91
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])CC2)=CS1	REAL300007185380	1	53	0.0	-55.17	400.64	9.22	-45.95
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])N1CC[NH+](C)CC1	REAL300007185381	1	49	0.0	-59.24	342.67	6.22	-53.02
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300007185465	0	57	0.0	-64.69	424.92	11.08	-53.61
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300007185477	0	57	0.0	-69.69	426.61	13.30	-56.39
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300007185477	1	57	0.0	-69.79	427.07	13.32	-56.47
CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300007185479	0	57	0.0	-54.58	404.44	11.90	-42.68
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CCCCC1	REAL300007185564	0	53	0.0	-47.63	358.96	9.57	-38.06
C[N@H+](CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1CCCCC1	REAL300007185568	0	53	0.0	-51.22	370.46	9.81	-41.41
C[N@@H+](CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1CCCCC1	REAL300007185568	1	53	0.0	-51.50	370.46	9.82	-41.68
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300007185591	1	54	0.0	-47.46	396.86	11.47	-35.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300007185591	1	54	0.0	-49.38	386.90	11.26	-38.12
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300007185592	1	51	0.0	-45.52	375.39	10.54	-34.98
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300007185592	1	51	0.0	-49.23	381.99	10.93	-38.30
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007185649	0	47	0.0	-60.44	361.15	8.89	-51.55
C[NH+](C)CCN1N=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1C1=CC=CC=C1	REAL300007185654	0	57	0.0	-68.83	425.04	10.97	-57.86
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300007185679	0	54	0.0	-43.47	367.98	10.09	-33.38
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300007185679	1	54	0.0	-44.95	363.98	10.16	-34.79
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007185680	0	55	0.0	-55.34	376.18	8.47	-46.87
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007185711	1	45	0.0	-53.00	342.03	9.23	-43.77
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007185712	1	51	0.0	-59.67	369.31	7.94	-51.73
CC[N@H+](CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1)C(C)C	REAL300007185714	0	56	0.0	-61.41	391.56	11.17	-50.24
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1)C(C)C	REAL300007185714	1	56	0.0	-63.99	391.76	11.14	-52.85
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007185739	0	51	0.0	-53.43	374.89	10.59	-42.84
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007185739	1	51	0.0	-53.43	376.54	10.81	-42.62
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007185740	0	52	0.0	-57.80	375.51	10.10	-47.70
C[NH+]1CCN(C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C2=CC=CC=C2)CC1	REAL300007185769	1	56	0.0	-56.96	397.43	8.62	-48.34
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007185770	0	55	0.0	-52.74	368.50	8.08	-44.66
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300007185773	0	50	0.0	-46.30	366.69	10.20	-36.10
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300007185773	1	50	0.0	-46.86	366.85	10.21	-36.65
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300007185784	0	57	0.0	-52.87	409.28	12.47	-40.40
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300007185784	1	57	0.0	-52.47	409.93	12.47	-40.00
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300007185813	0	46	0.0	-63.88	346.46	8.24	-55.64
CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007185824	0	55	0.0	-54.71	393.54	10.53	-44.18
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300007185825	1	55	0.0	-43.37	398.99	8.26	-35.11
CC[N@H+](C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=CC=C1	REAL300007185826	0	50	0.0	-43.53	363.81	10.43	-33.10
CC[N@@H+](C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=CC=C1	REAL300007185826	1	50	0.0	-44.65	364.05	10.42	-34.23
CC[NH+](CC)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=CC=C1	REAL300007185831	0	53	0.0	-44.14	369.53	10.38	-33.76
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007185837	1	45	0.0	-45.88	338.38	8.93	-36.95
C[NH+](C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007185839	1	47	0.0	-48.65	362.43	10.35	-38.30
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007185853	0	51	0.0	-63.64	375.29	10.87	-52.77
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007185860	0	54	0.0	-64.83	391.44	11.57	-53.26
CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])CC2)CC1	REAL300007185867	0	62	0.0	-54.06	421.88	8.81	-45.25
CC1C[NH+](CC2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CC(C)O1	REAL300007185874	1	58	0.0	-66.53	425.35	10.60	-55.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007185885	1	55	0.0	-60.88	406.34	10.76	-50.12
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007185885	1	55	0.0	-59.91	399.40	10.70	-49.21
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300007185900	0	54	0.0	-43.63	390.10	11.37	-32.26
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300007185900	1	54	0.0	-45.50	380.62	11.20	-34.30
CC1=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007185902	1	45	0.0	-70.30	347.68	8.10	-62.20
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007185910	0	54	0.0	-63.83	391.88	11.57	-52.26
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007185922	1	47	0.0	-69.92	356.86	8.42	-61.50
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300007185923	0	50	0.0	-68.53	372.81	10.56	-57.97
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007185934	1	43	0.0	-44.47	321.57	7.32	-37.15
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007185935	1	52	0.0	-44.45	378.51	10.19	-34.26
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007185935	1	52	0.0	-48.96	377.99	10.18	-38.78
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007185949	0	60	0.0	-47.32	429.99	12.68	-34.64
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[NH+]1CCSCC1	REAL300007185989	1	45	0.0	-46.46	329.96	8.31	-38.15
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007185996	0	50	0.0	-51.09	370.83	10.66	-40.43
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007185996	1	50	0.0	-50.43	370.12	10.78	-39.65
COCCOCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007185997	0	54	0.0	-52.20	399.12	6.96	-45.24
COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007185997	1	54	0.0	-53.67	399.41	6.99	-46.68
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300007186001	0	48	0.0	-54.67	339.68	6.67	-48.00
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300007186001	1	48	0.0	-52.80	342.76	6.57	-46.23
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007186011	0	59	0.0	-59.01	424.82	10.45	-48.56
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300007186012	1	53	0.0	-47.60	385.80	9.64	-37.96
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300007186012	1	53	0.0	-46.58	385.09	9.63	-36.95
CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186015	0	52	0.0	-48.20	375.41	9.97	-38.23
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186015	1	52	0.0	-47.59	374.71	10.10	-37.49
C[N@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1CCSC1	REAL300007186044	0	45	0.0	-51.33	330.63	8.55	-42.78
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1CCSC1	REAL300007186044	1	45	0.0	-50.68	330.42	8.57	-42.11
CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007186059	0	55	0.0	-56.19	387.39	7.39	-48.80
CC(C)N1CC[NH+](CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007186059	1	55	0.0	-50.63	383.20	7.36	-43.27
CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007186060	0	58	0.0	-57.76	407.84	8.30	-49.46
CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007186060	1	58	0.0	-55.20	404.71	8.16	-47.04
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC2CCC[N@@H+]21	REAL300007186061	0	48	0.0	-45.15	328.52	8.77	-36.38
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC2CCC[N@H+]21	REAL300007186061	1	48	0.0	-43.06	336.36	9.06	-34.00
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300007186063	0	47	0.0	-69.08	356.56	7.73	-61.35
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])CC2)=C1	REAL300007186070	0	59	0.0	-54.67	425.23	10.35	-44.32
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007186072	0	56	0.0	-54.56	403.83	9.69	-44.87
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300007186075	0	53	0.0	-57.93	387.24	9.75	-48.18
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300007186075	1	53	0.0	-55.28	382.01	9.76	-45.52
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007186080	1	51	0.0	-46.04	367.46	10.74	-35.30
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007186080	1	51	0.0	-45.75	370.40	10.62	-35.13
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007186108	0	54	0.0	-58.06	394.82	11.41	-46.65
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007186108	1	54	0.0	-58.01	397.21	11.48	-46.53
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=N1	REAL300007186123	0	47	0.0	-65.24	356.84	7.73	-57.51
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186124	0	47	0.0	-59.40	351.52	7.68	-51.72
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186130	1	48	0.0	-48.43	357.63	9.42	-39.01
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300007186146	0	54	0.0	-57.08	393.27	11.67	-45.41
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300007186146	1	54	0.0	-54.73	393.56	11.68	-43.05
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300007186147	1	50	0.0	-43.70	369.74	9.25	-34.45
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300007186147	1	50	0.0	-47.85	372.06	9.06	-38.79
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186151	0	48	0.0	-49.95	343.19	7.08	-42.87
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300007186152	0	55	0.0	-54.28	401.58	9.10	-45.18
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007186205	1	54	0.0	-58.66	394.79	9.81	-48.85
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007186206	0	54	0.0	-50.29	377.10	10.14	-40.15
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007186206	1	54	0.0	-51.30	377.46	10.09	-41.21
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C12CCC[NH+](CCC1)C2	REAL300007186225	0	48	0.0	-59.15	328.35	8.52	-50.63
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC2CCCC[N@@H+]21	REAL300007186229	0	48	0.0	-43.20	332.38	8.79	-34.41
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC2CCCC[N@H+]21	REAL300007186229	1	48	0.0	-42.59	339.81	9.09	-33.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300007186231	0	59	0.0	-56.99	423.31	10.54	-46.45
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300007186231	1	59	0.0	-58.29	421.19	10.40	-47.89
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186238	0	51	0.0	-52.30	351.00	7.42	-44.88
CC(C)[N@@H+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300007186243	0	60	0.0	-58.21	407.00	9.21	-49.00
CC(C)[N@H+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300007186243	1	60	0.0	-51.36	412.46	9.50	-41.86
CN1C=C(C2C[N@H+](C)CCC2C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300007186244	0	54	0.0	-59.77	387.22	8.73	-51.04
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300007186244	1	54	0.0	-61.72	382.04	8.42	-53.30
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=C2)CC1	REAL300007186249	0	56	0.0	-65.80	408.81	9.13	-56.67
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CC1	REAL300007186250	0	56	0.0	-67.28	409.10	9.12	-58.16
CN1CC[NH+](CC2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CC1	REAL300007186250	1	56	0.0	-64.40	408.36	9.02	-55.38
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300007186251	0	57	0.0	-62.09	415.64	10.84	-51.25
CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007186257	0	50	0.0	-52.95	347.36	8.82	-44.13
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007186371	0	58	0.0	-67.25	423.21	8.82	-58.43
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300007186375	0	47	0.0	-66.31	349.86	9.71	-56.60
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007186376	0	54	0.0	-53.89	394.06	11.39	-42.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007186376	1	54	0.0	-54.46	393.02	11.40	-43.06
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007186442	0	46	0.0	-56.20	340.73	9.19	-47.01
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186444	0	50	0.0	-44.30	352.81	9.21	-35.09
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186444	1	50	0.0	-46.04	343.74	9.04	-37.00
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186446	0	47	0.0	-53.43	341.35	10.14	-43.29
CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007186448	0	52	0.0	-58.04	370.65	6.88	-51.16
CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007186448	1	52	0.0	-50.64	368.47	6.88	-43.76
CC(C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[NH+]1CCCCC1	REAL300007186450	0	53	0.0	-43.53	362.18	9.86	-33.67
C[NH+](C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=CC=C1	REAL300007186451	1	47	0.0	-45.74	345.64	9.81	-35.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300007186455	0	52	0.0	-50.64	384.65	7.63	-43.01
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007186455	1	52	0.0	-50.83	385.07	7.69	-43.14
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186461	1	48	0.0	-48.39	357.56	9.39	-39.00
C[NH+](C)CC1=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])OC2=CC=CC=C21	REAL300007186462	0	50	0.0	-62.36	376.34	10.18	-52.18
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300007186467	0	51	0.0	-46.92	344.83	9.33	-37.59
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300007186467	1	51	0.0	-44.86	358.36	9.60	-35.26
CC(C)C(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300007186496	1	57	0.0	-45.33	396.82	9.25	-36.08
CC(C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])[NH+]1CCCCCC1	REAL300007186497	0	50	0.0	-44.51	341.60	8.73	-35.78
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC=C1N2	REAL300007186533	1	52	0.0	-73.51	385.09	10.15	-63.36
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC=C1N2	REAL300007186533	1	52	0.0	-72.63	384.88	10.24	-62.39
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300007186591	0	50	0.0	-58.10	367.06	9.22	-48.88
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CCCC[NH+]1CCCC1	REAL300007186592	0	50	0.0	-57.02	361.35	9.60	-47.42
CC1=CC=C(N2CCC(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])CC2)[NH+]=C1	REAL300007186594	1	53	0.0	-52.83	386.01	9.14	-43.69
C[N@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])CC1=CC=CC=C1	REAL300007186595	1	47	0.0	-48.36	347.65	9.93	-38.43
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])CC1=CC=CC=C1	REAL300007186595	1	47	0.0	-48.37	347.75	9.94	-38.43
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CC1	REAL300007186599	0	59	0.0	-64.30	417.16	10.19	-54.11
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007186613	1	42	0.0	-68.26	331.54	7.67	-60.59
C[NH+](C)CC1=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=NO1	REAL300007186642	1	43	0.0	-71.71	329.94	7.35	-64.36
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186648	0	54	0.0	-55.28	396.94	11.34	-43.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186648	1	54	0.0	-55.84	390.46	11.08	-44.76
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300007186672	0	55	0.0	-67.15	413.87	10.79	-56.36
C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007186689	0	48	0.0	-61.80	351.99	8.30	-53.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007186695	0	51	0.0	-57.13	376.45	9.92	-47.21
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300007186736	0	53	0.0	-46.17	385.16	9.53	-36.64
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300007186736	1	53	0.0	-45.95	383.16	9.46	-36.49
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300007186880	0	50	0.0	-49.33	349.67	9.44	-39.89
CCC[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300007186880	1	50	0.0	-52.85	355.75	9.25	-43.60
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186912	0	50	0.0	-45.08	357.37	9.40	-35.68
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007186912	1	50	0.0	-44.56	355.92	9.51	-35.05
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C[NH+]1CCC(CO)CC1	REAL300007186915	1	48	0.0	-49.28	345.47	5.39	-43.89
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300007187009	0	55	0.0	-46.84	400.53	11.69	-35.15
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300007187009	1	55	0.0	-49.44	403.14	11.64	-37.80
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300007187047	1	54	0.0	-48.42	387.05	11.27	-37.15
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300007187047	1	54	0.0	-46.24	396.85	11.46	-34.78
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300007187136	0	50	0.0	-51.20	350.59	9.00	-42.20
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300007187136	1	50	0.0	-48.79	344.63	9.21	-39.58
C[N@@H+]1CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C(F)(F)F)C1	REAL300007187137	0	44	0.0	-57.58	325.00	8.20	-49.38
C[N@H+]1CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C(F)(F)F)C1	REAL300007187137	1	44	0.0	-62.63	321.68	7.67	-54.96
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])N1	REAL300007187163	1	45	0.0	-48.18	342.85	7.55	-40.63
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300007187637	0	50	0.0	-69.45	372.33	10.53	-58.92
C[NH+](C)CCOC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300007187643	0	51	0.0	-66.27	380.41	9.52	-56.75
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007187733	0	57	0.0	-60.23	411.09	12.10	-48.13
CC1C[N@H+](CC2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CCO1	REAL300007187735	1	55	0.0	-65.63	403.23	10.04	-55.59
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CCO1	REAL300007187735	1	55	0.0	-66.11	403.23	10.04	-56.07
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300007187778	0	50	0.0	-53.95	342.64	8.99	-44.96
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300007187844	0	53	0.0	-51.92	374.06	9.90	-42.02
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300007187844	1	53	0.0	-51.92	374.06	9.90	-42.02
CN(C)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300007187849	0	44	0.0	-59.17	334.86	8.05	-51.12
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300007187849	1	44	0.0	-59.17	334.86	8.05	-51.12
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300007187854	0	53	0.0	-62.09	354.64	8.90	-53.19
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C1	REAL300007187854	1	53	0.0	-62.09	354.64	8.90	-53.19
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300007187857	0	46	0.0	-40.77	329.85	9.51	-31.26
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187862	0	48	0.0	-67.17	378.58	10.94	-56.23
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187862	1	48	0.0	-67.17	378.58	10.94	-56.23
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007187863	0	52	0.0	-63.30	409.67	11.23	-52.07
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007187863	1	52	0.0	-63.30	409.67	11.23	-52.07
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007187864	0	48	0.0	-73.00	378.61	10.94	-62.06
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007187864	1	48	0.0	-73.00	378.61	10.94	-62.06
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300007187865	0	45	0.0	-64.35	370.34	10.09	-54.26
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300007187865	1	45	0.0	-64.35	370.34	10.09	-54.26
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=CC(C(=O)[O-])=N2)C1	REAL300007187866	0	47	0.0	-57.33	373.34	9.97	-47.36
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=CC(C(=O)[O-])=N2)C1	REAL300007187866	1	47	0.0	-57.33	373.34	9.97	-47.36
CCCC1=NC=CN1C1CCCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187867	0	54	0.0	-72.29	424.11	12.74	-59.55
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187867	1	54	0.0	-72.29	424.11	12.74	-59.55
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300007187868	0	47	0.0	-77.46	372.74	9.11	-68.35
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300007187868	1	47	0.0	-77.46	372.74	9.11	-68.35
CCCC1=NC=CN1C1CCCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187869	0	52	0.0	-71.86	411.46	12.42	-59.44
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187869	1	52	0.0	-71.86	411.46	12.42	-59.44
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300007187870	0	50	0.0	-65.11	406.67	11.60	-53.51
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300007187870	1	50	0.0	-65.11	406.67	11.60	-53.51
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300007187871	0	50	0.0	-65.11	406.67	11.60	-53.51
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300007187871	1	50	0.0	-65.11	406.67	11.60	-53.51
CCCC1=NC=CN1C1CCCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300007187872	0	54	0.0	-65.13	415.19	12.48	-52.65
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300007187872	1	54	0.0	-65.13	415.19	12.48	-52.65
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C1	REAL300007187873	0	58	0.0	-69.72	452.27	12.72	-57.00
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C1	REAL300007187873	1	58	0.0	-69.72	452.27	12.72	-57.00
CCCC1=NC=CN1C1CCCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300007187874	0	51	0.0	-75.91	402.76	11.94	-63.97
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300007187874	1	51	0.0	-75.91	402.76	11.94	-63.97
CCCC1=NC=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC2)C1	REAL300007187875	0	45	0.0	-59.01	351.78	9.47	-49.54
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC2)C1	REAL300007187875	1	45	0.0	-59.01	351.78	9.47	-49.54
CCCC1=NC=CN1C1CCCN(C(=O)C2CCCC(C(=O)[O-])C2)C1	REAL300007187876	0	54	0.0	-64.80	404.27	11.35	-53.45
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2CCCC(C(=O)[O-])C2)C1	REAL300007187876	1	54	0.0	-64.80	404.27	11.35	-53.45
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300007187877	0	47	0.0	-68.56	372.74	9.01	-59.55
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300007187877	1	47	0.0	-68.56	372.74	9.01	-59.55
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300007187878	0	47	0.0	-59.61	373.06	9.96	-49.65
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300007187878	1	47	0.0	-59.61	373.06	9.96	-49.65
CCCC1=NC=CN1C1CCCN(C(=O)CC(C)(C)CC(=O)[O-])C1	REAL300007187879	0	53	0.0	-66.14	387.20	10.69	-55.45
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC(C)(C)CC(=O)[O-])C1	REAL300007187879	1	53	0.0	-66.14	387.20	10.69	-55.45
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300007187880	0	48	0.0	-65.18	382.25	10.95	-54.23
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300007187880	1	48	0.0	-65.18	382.25	10.95	-54.23
CCCC1=NC=CN1C1CCCN(C(=O)C2=CN=C(C(=O)[O-])C=N2)C1	REAL300007187881	0	46	0.0	-61.85	368.17	8.13	-53.72
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CN=C(C(=O)[O-])C=N2)C1	REAL300007187881	1	46	0.0	-61.85	368.17	8.13	-53.72
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300007187882	0	54	0.0	-66.39	403.70	11.35	-55.04
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300007187882	1	54	0.0	-66.39	403.70	11.35	-55.04
CCCC1=NC=CN1C1CCCN(C(=O)C2CCC(C(=O)[O-])CC2)C1	REAL300007187883	0	54	0.0	-71.02	394.19	11.07	-59.95
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2CCC(C(=O)[O-])CC2)C1	REAL300007187883	1	54	0.0	-71.02	394.19	11.07	-59.95
CCCC1=NC=CN1C1CCCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187884	0	51	0.0	-76.85	402.70	11.93	-64.92
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187884	1	51	0.0	-76.85	402.70	11.93	-64.92
CCCC1=NC=CN1C1CCCN(C(=O)CN2C=C(C(=O)[O-])N=N2)C1	REAL300007187885	0	47	0.0	-78.23	379.84	7.87	-70.36
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CN2C=C(C(=O)[O-])N=N2)C1	REAL300007187885	1	47	0.0	-78.23	379.84	7.87	-70.36
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C(C)=N2)C1	REAL300007187886	0	50	0.0	-59.37	388.94	10.46	-48.91
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C(C)=N2)C1	REAL300007187886	1	50	0.0	-59.37	388.94	10.46	-48.91
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187887	0	48	0.0	-67.17	378.58	10.94	-56.23
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187887	1	48	0.0	-67.17	378.58	10.94	-56.23
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300007187888	0	51	0.0	-72.61	382.72	10.65	-61.96
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300007187888	1	51	0.0	-72.61	382.72	10.65	-61.96
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300007187889	0	51	0.0	-70.49	400.78	11.71	-58.78
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300007187889	1	51	0.0	-70.49	400.78	11.71	-58.78
CCCC1=NC=CN1C1CCCN(C(=O)C2=C(CC(=O)[O-])OC=C2)C1	REAL300007187890	0	48	0.0	-72.10	380.90	9.95	-62.15
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=C(CC(=O)[O-])OC=C2)C1	REAL300007187890	1	48	0.0	-72.10	380.90	9.95	-62.15
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300007187891	0	47	0.0	-66.26	372.81	10.00	-56.26
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300007187891	1	47	0.0	-66.26	372.81	10.00	-56.26
CCCC1=NC=CN1C1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1	REAL300007187892	0	49	0.0	-65.73	376.24	10.58	-55.15
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1	REAL300007187892	1	49	0.0	-65.73	376.24	10.58	-55.15
CCCC1=NC=CN1C1CCCN(C(=O)C2(C(=O)[O-])CCC2)C1	REAL300007187893	0	48	0.0	-53.62	359.16	9.82	-43.80
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2(C(=O)[O-])CCC2)C1	REAL300007187893	1	48	0.0	-53.62	359.16	9.82	-43.80
CCCC1=NC=CN1C1CCCN(C(=O)C(C)(C)C(=O)[O-])C1	REAL300007187894	0	47	0.0	-74.77	345.01	9.75	-65.02
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C(C)(C)C(=O)[O-])C1	REAL300007187894	1	47	0.0	-74.77	345.01	9.75	-65.02
CCCC1=NC=CN1C1CCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300007187895	0	57	0.0	-71.98	422.84	12.20	-59.78
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300007187895	1	57	0.0	-71.98	422.84	12.20	-59.78
CCCC1=NC=CN1C1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300007187896	0	55	0.0	-78.18	401.82	11.23	-66.95
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300007187896	1	55	0.0	-78.18	401.82	11.23	-66.95
CCCC1=NC=CN1C1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300007187897	0	58	0.0	-69.10	412.15	11.54	-57.56
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300007187897	1	58	0.0	-69.10	412.15	11.54	-57.56
CCCC1=NC=CN1C1CCCN(C(=O)CC(C)(C)CC(=O)[O-])C1	REAL300007187898	0	53	0.0	-66.14	387.20	10.69	-55.45
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC(C)(C)CC(=O)[O-])C1	REAL300007187898	1	53	0.0	-66.14	387.20	10.69	-55.45
CCCC1=NC=CN1C1CCCN(C(=O)CCCC(=O)[O-])C1	REAL300007187899	0	47	0.0	-69.33	364.85	9.86	-59.47
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CCCC(=O)[O-])C1	REAL300007187899	1	47	0.0	-69.33	364.85	9.86	-59.47
CCCC1=NC=CN1C1CCCN(C(=O)CC(C)CC(=O)[O-])C1	REAL300007187900	0	50	0.0	-68.27	377.45	10.32	-57.95
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC(C)CC(=O)[O-])C1	REAL300007187900	1	50	0.0	-68.27	377.45	10.32	-57.95
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300007187901	0	50	0.0	-82.98	406.32	9.92	-73.06
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300007187901	1	50	0.0	-82.98	406.32	9.92	-73.06
CCCC1=NC=CN1C1CCCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300007187902	0	55	0.0	-69.27	435.24	11.61	-57.66
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300007187902	1	55	0.0	-69.27	435.24	11.61	-57.66
CCCC1=NC=CN1C1CCCN(C(=O)C2(C(=O)[O-])CCCC2)C1	REAL300007187903	0	51	0.0	-53.55	371.13	10.26	-43.29
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2(C(=O)[O-])CCCC2)C1	REAL300007187903	1	51	0.0	-53.55	371.13	10.26	-43.29
CCCC1=NC=CN1C1CCCN(C(=O)C2=C(C)OC(C(=O)[O-])=C2)C1	REAL300007187904	0	48	0.0	-64.70	383.03	10.16	-54.54
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=C(C)OC(C(=O)[O-])=C2)C1	REAL300007187904	1	48	0.0	-64.70	383.03	10.16	-54.54
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(C)=C(C(=O)[O-])O2)C1	REAL300007187905	0	48	0.0	-59.48	379.59	10.21	-49.27
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(C)=C(C(=O)[O-])O2)C1	REAL300007187905	1	48	0.0	-59.48	379.59	10.21	-49.27
CCCC1=NC=CN1C1CCCN(C(=O)CN2C=C(C(=O)[O-])C=N2)C1	REAL300007187906	0	48	0.0	-74.45	384.81	9.36	-65.09
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CN2C=C(C(=O)[O-])C=N2)C1	REAL300007187906	1	48	0.0	-74.45	384.81	9.36	-65.09
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300007187907	0	49	0.0	-61.92	394.73	10.85	-51.07
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300007187907	1	49	0.0	-61.92	394.73	10.85	-51.07
CCCC1=NC=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300007187908	0	55	0.0	-53.23	403.55	11.53	-41.70
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300007187908	1	55	0.0	-53.23	403.55	11.53	-41.70
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300007187909	0	52	0.0	-67.20	409.54	11.22	-55.98
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300007187909	1	52	0.0	-67.20	409.54	11.22	-55.98
CCCC1=NC=CN1C1CCCN(C(=O)CCSCC(=O)[O-])C1	REAL300007187910	0	48	0.0	-65.12	387.88	10.45	-54.67
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CCSCC(=O)[O-])C1	REAL300007187910	1	48	0.0	-65.12	387.88	10.45	-54.67
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300007187911	0	47	0.0	-59.61	373.06	9.96	-49.65
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C1	REAL300007187911	1	47	0.0	-59.61	373.06	9.96	-49.65
CCCC1=NC=CN1C1CCCN(C(=O)COCC(=O)[O-])C1	REAL300007187912	0	45	0.0	-71.66	356.98	9.13	-62.53
CCCC1=[NH+]C=CN1C1CCCN(C(=O)COCC(=O)[O-])C1	REAL300007187912	1	45	0.0	-71.66	356.98	9.13	-62.53
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=NN2C)C1	REAL300007187913	0	48	0.0	-68.12	378.95	8.60	-59.52
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=NN2C)C1	REAL300007187913	1	48	0.0	-68.12	378.95	8.60	-59.52
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1	REAL300007187914	0	52	0.0	-72.48	396.74	10.61	-61.87
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1	REAL300007187914	1	52	0.0	-72.48	396.74	10.61	-61.87
CCCC1=NC=CN1C1CCCN(C(=O)C(C)(C)CCC(=O)[O-])C1	REAL300007187915	0	53	0.0	-76.11	384.16	10.11	-66.00
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C(C)(C)CCC(=O)[O-])C1	REAL300007187915	1	53	0.0	-76.11	384.16	10.11	-66.00
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300007187916	0	51	0.0	-66.10	400.73	11.72	-54.38
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300007187916	1	51	0.0	-66.10	400.73	11.72	-54.38
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300007187917	0	52	0.0	-70.43	410.67	12.22	-58.21
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300007187917	1	52	0.0	-70.43	410.67	12.22	-58.21
CCCC1=NC=CN1C1CCCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300007187918	0	49	0.0	-67.88	396.01	10.66	-57.22
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300007187918	1	49	0.0	-67.88	396.01	10.66	-57.22
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300007187919	0	54	0.0	-64.78	417.13	12.36	-52.42
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300007187919	1	54	0.0	-64.78	417.13	12.36	-52.42
CCCC1=NC=CN1C1CCCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300007187920	0	49	0.0	-64.78	397.57	11.02	-53.76
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300007187920	1	49	0.0	-64.78	397.57	11.02	-53.76
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300007187921	0	51	0.0	-72.61	382.72	10.65	-61.96
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300007187921	1	51	0.0	-72.61	382.72	10.65	-61.96
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300007187922	0	51	0.0	-59.44	392.06	11.38	-48.06
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300007187922	1	51	0.0	-59.44	392.06	11.38	-48.06
CCCC1=NC=CN1C1CCCN(C(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300007187923	0	47	0.0	-65.95	373.56	9.06	-56.89
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300007187923	1	47	0.0	-65.95	373.56	9.06	-56.89
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CN=C2C)C1	REAL300007187924	0	50	0.0	-60.77	393.19	9.72	-51.05
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CN=C2C)C1	REAL300007187924	1	50	0.0	-60.77	393.19	9.72	-51.05
CCCC1=NC=CN1C1CCCN(C(=O)CN2C=CC(C(=O)[O-])=N2)C1	REAL300007187925	0	48	0.0	-85.13	384.11	9.38	-75.75
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CN2C=CC(C(=O)[O-])=N2)C1	REAL300007187925	1	48	0.0	-85.13	384.11	9.38	-75.75
CCCC1=NC=CN1C1CCCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300007187926	0	54	0.0	-85.59	427.73	10.79	-74.80
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300007187926	1	54	0.0	-85.59	427.73	10.79	-74.80
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	REAL300007187927	0	48	0.0	-68.33	363.65	10.39	-57.94
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	REAL300007187927	1	48	0.0	-68.33	363.65	10.39	-57.94
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300007187928	0	55	0.0	-75.37	418.54	11.05	-64.32
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300007187928	1	55	0.0	-75.37	418.54	11.05	-64.32
CCCC1=NC=CN1C1CCCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300007187929	0	55	0.0	-67.54	420.87	10.06	-57.48
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300007187929	1	55	0.0	-67.54	420.87	10.06	-57.48
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	REAL300007187930	0	48	0.0	-68.33	363.65	10.39	-57.94
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	REAL300007187930	1	48	0.0	-68.33	363.65	10.39	-57.94
CCCC1=NC=CN1C1CCCN(C(=O)C2=C(C)C=C(C(=O)[O-])O2)C1	REAL300007187931	0	48	0.0	-58.98	379.46	10.23	-48.75
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=C(C)C=C(C(=O)[O-])O2)C1	REAL300007187931	1	48	0.0	-58.98	379.46	10.23	-48.75
CCCC1=NC=CN1C1CCCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300007187932	0	56	0.0	-63.60	400.96	12.69	-50.91
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300007187932	1	56	0.0	-63.60	400.96	12.69	-50.91
CCCC1=NC=CN1C1CCCN(C(=O)C(C(=O)[O-])C(C)C)C1	REAL300007187933	0	50	0.0	-53.73	374.40	10.07	-43.66
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C(C(=O)[O-])C(C)C)C1	REAL300007187933	1	50	0.0	-53.73	374.40	10.07	-43.66
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300007187934	0	54	0.0	-59.99	391.67	11.66	-48.33
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300007187934	1	54	0.0	-59.99	391.67	11.66	-48.33
CCCC1=NC=CN1C1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007187935	0	56	0.0	-50.79	409.25	10.52	-40.27
CCCC1=NC=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300007187936	0	55	0.0	-59.78	419.60	12.75	-47.03
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300007187936	1	55	0.0	-59.78	419.60	12.75	-47.03
CCCC1=NC=CN1C1CCCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300007187937	0	55	0.0	-69.27	435.24	11.61	-57.66
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300007187937	1	55	0.0	-69.27	435.24	11.61	-57.66
CCCC1=NC=CN1C1CCCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300007187938	0	55	0.0	-85.93	436.11	13.35	-72.58
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300007187938	1	55	0.0	-85.93	436.11	13.35	-72.58
CCCC1=NC=CN1C1CCCN(C(=O)C2CC3(CC3C(=O)[O-])C2)C1	REAL300007187939	0	52	0.0	-60.93	399.58	11.56	-49.37
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2CC3(CC3C(=O)[O-])C2)C1	REAL300007187939	1	52	0.0	-60.93	399.58	11.56	-49.37
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300007187940	0	48	0.0	-69.72	369.69	10.22	-59.50
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300007187940	1	48	0.0	-69.72	369.69	10.22	-59.50
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)C1	REAL300007187941	0	54	0.0	-70.11	408.68	12.29	-57.82
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)C1	REAL300007187941	1	54	0.0	-70.11	408.68	12.29	-57.82
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CC=C2C)C1	REAL300007187942	0	51	0.0	-63.98	397.93	11.54	-52.44
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CC=C2C)C1	REAL300007187942	1	51	0.0	-63.98	397.93	11.54	-52.44
CCCC1=NC=CN1C1CCCN(C(=O)C2CC(C)(C(=O)[O-])C2)C1	REAL300007187943	0	51	0.0	-61.15	386.27	10.59	-50.56
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2CC(C)(C(=O)[O-])C2)C1	REAL300007187943	1	51	0.0	-61.15	386.27	10.59	-50.56
CCCC1=NC=CN1C1CCCN(C(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300007187944	0	45	0.0	-67.95	366.07	10.81	-57.14
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300007187944	1	45	0.0	-67.95	366.07	10.81	-57.14
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=NN2)C1	REAL300007187945	0	45	0.0	-70.79	358.87	7.72	-63.07
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=NN2)C1	REAL300007187945	1	45	0.0	-70.79	358.87	7.72	-63.07
CCCC1=NC=CN1C1CCCN(C(=O)C2=CN=CC(C(=O)[O-])=C2C)C1	REAL300007187946	0	50	0.0	-65.42	385.99	9.59	-55.83
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CN=CC(C(=O)[O-])=C2C)C1	REAL300007187946	1	50	0.0	-65.42	385.99	9.59	-55.83
CCCC1=NC=CN1C1CCCN(C(=O)C(CCC)C(=O)[O-])C1	REAL300007187947	0	50	0.0	-51.70	375.66	10.18	-41.52
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C(CCC)C(=O)[O-])C1	REAL300007187947	1	50	0.0	-51.70	375.66	10.18	-41.52
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2C)C1	REAL300007187948	0	51	0.0	-67.88	396.05	11.56	-56.32
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2C)C1	REAL300007187948	1	51	0.0	-67.88	396.05	11.56	-56.32
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300007187949	0	48	0.0	-63.53	390.64	11.36	-52.17
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300007187949	1	48	0.0	-63.53	390.64	11.36	-52.17
CCCC1=NC=CN1C1CCCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300007187950	0	55	0.0	-68.68	418.30	12.09	-56.59
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300007187950	1	55	0.0	-68.68	418.30	12.09	-56.59
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)C1	REAL300007187951	0	51	0.0	-56.64	403.50	9.28	-47.36
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)C1	REAL300007187951	1	51	0.0	-56.64	403.50	9.28	-47.36
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])N2C)C1	REAL300007187952	0	49	0.0	-67.27	377.24	10.15	-57.12
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C(=O)[O-])N2C)C1	REAL300007187952	1	49	0.0	-67.27	377.24	10.15	-57.12
CCCC1=NC=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC=CC2)C1	REAL300007187953	0	49	0.0	-56.88	365.78	10.19	-46.69
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC=CC2)C1	REAL300007187953	1	49	0.0	-56.88	365.78	10.19	-46.69
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300007187954	0	54	0.0	-66.51	422.13	12.52	-53.99
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300007187954	1	54	0.0	-66.51	422.13	12.52	-53.99
CCCC1=NC=CN1C1CCCN(C(=O)C2=NNC(C)=C2C(=O)[O-])C1	REAL300007187955	1	48	0.0	-69.73	373.86	8.99	-60.74
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=C(C(=O)[O-])C(C)=NN2)C1	REAL300007187955	1	48	0.0	-70.01	372.91	9.42	-60.59
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=NNC(C)=C2C(=O)[O-])C1	REAL300007187955	1	48	0.0	-70.01	372.91	9.42	-60.59
CCCC1=NC=CN1C1CCCN(C(=O)CC2(CC(=O)[O-])CC2)C1	REAL300007187956	0	51	0.0	-58.11	388.23	10.95	-47.16
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC2(CC(=O)[O-])CC2)C1	REAL300007187956	1	51	0.0	-58.11	388.23	10.95	-47.16
CCCC1=NC=CN1C1CCCN(C(=O)C2=CSC(C(=O)[O-])=N2)C1	REAL300007187957	0	44	0.0	-55.46	364.96	8.90	-46.56
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CSC(C(=O)[O-])=N2)C1	REAL300007187957	1	44	0.0	-55.46	364.96	8.90	-46.56
CCCC1=NC=CN1C1CCCN(C(=O)C(OC)C(=O)[O-])C1	REAL300007187958	0	45	0.0	-57.84	350.73	8.62	-49.22
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C(OC)C(=O)[O-])C1	REAL300007187958	1	45	0.0	-57.84	350.73	8.62	-49.22
CCCC1=NC=CN1C1CCCN(C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])C1	REAL300007187959	0	48	0.0	-57.05	363.07	9.83	-47.22
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])C1	REAL300007187959	1	48	0.0	-57.05	363.07	9.83	-47.22
CCCC1=NC=CN1C1CCCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)C1	REAL300007187960	0	48	0.0	-62.44	389.48	10.76	-51.68
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)C1	REAL300007187960	1	48	0.0	-62.44	389.48	10.76	-51.68
CCCC1=NC=CN1C1CCCN(C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)C1	REAL300007187961	0	51	0.0	-61.39	402.48	11.53	-49.86
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)C1	REAL300007187961	1	51	0.0	-61.39	402.48	11.53	-49.86
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300007187962	0	51	0.0	-76.19	410.72	12.13	-64.06
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300007187962	1	51	0.0	-76.19	410.72	12.13	-64.06
CCCC1=NC=CN1C1CCCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300007187963	0	53	0.0	-68.33	411.70	10.72	-57.61
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300007187963	1	53	0.0	-68.33	411.70	10.72	-57.61
CCCC1=NC=CN1C1CCCN(C(=O)C23CC(C(=O)[O-])(C2)CO3)C1	REAL300007187964	0	50	0.0	-61.89	385.96	9.07	-52.82
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C23CC(C(=O)[O-])(C2)CO3)C1	REAL300007187964	1	50	0.0	-61.89	385.96	9.07	-52.82
CCCC1=NC=CN1C1CCCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187965	0	52	0.0	-71.83	411.55	12.43	-59.40
CCCC1=[NH+]C=CN1C1CCCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007187965	1	52	0.0	-71.83	411.55	12.43	-59.40
CCCC1=NC=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC2C)C1	REAL300007187966	0	48	0.0	-59.81	369.38	10.10	-49.71
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC2C)C1	REAL300007187966	1	48	0.0	-59.81	369.38	10.10	-49.71
CCCC1=NC=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300007187967	0	55	0.0	-53.23	403.55	11.53	-41.70
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300007187967	1	55	0.0	-53.23	403.55	11.53	-41.70
CCCC1=NC=CN1C1CCCN(C(=O)C2=C(C(=O)[O-])C=NN2C)C1	REAL300007187968	0	48	0.0	-69.41	384.72	8.57	-60.84
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=C(C(=O)[O-])C=NN2C)C1	REAL300007187968	1	48	0.0	-69.41	384.72	8.57	-60.84
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300007187969	0	49	0.0	-61.93	400.25	10.45	-51.48
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300007187969	1	49	0.0	-61.93	400.25	10.45	-51.48
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300007187970	0	49	0.0	-69.42	400.42	10.59	-58.83
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300007187970	1	49	0.0	-69.42	400.42	10.59	-58.83
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300007187971	0	49	0.0	-54.43	391.58	9.60	-44.83
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300007187971	1	49	0.0	-54.43	391.58	9.60	-44.83
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)C1	REAL300007187972	0	51	0.0	-69.46	391.94	11.40	-58.06
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)C1	REAL300007187972	1	51	0.0	-69.46	391.94	11.40	-58.06
CCCC1=NC=CN1C1CCCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300007187973	0	51	0.0	-72.74	407.25	10.65	-62.09
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300007187973	1	51	0.0	-72.74	407.25	10.65	-62.09
C=C1CCC1(C(=O)[O-])C(=O)N1CCCC(N2C=CN=C2CCC)C1	REAL300007187974	0	49	0.0	-54.82	366.82	10.06	-44.76
C=C1CCC1(C(=O)[O-])C(=O)N1CCCC(N2C=C[NH+]=C2CCC)C1	REAL300007187974	1	49	0.0	-54.82	366.82	10.06	-44.76
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300007187975	0	45	0.0	-73.08	368.62	9.88	-63.20
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300007187975	1	45	0.0	-73.08	368.62	9.88	-63.20
CCCC1=NC=CN1C1CCCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300007187976	0	53	0.0	-65.57	395.35	9.91	-55.66
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300007187976	1	53	0.0	-65.57	395.35	9.91	-55.66
CCCC1=NC=CN1C1CCCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300007187977	0	54	0.0	-72.02	418.05	13.00	-59.02
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300007187977	1	54	0.0	-72.02	418.05	13.00	-59.02
CCCC1=NC=CN1C1CCCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])C1	REAL300007187978	0	54	0.0	-60.81	403.68	11.02	-49.79
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])C1	REAL300007187978	1	54	0.0	-60.81	403.68	11.02	-49.79
CCCC1=NC=CN1C1CCCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)C1	REAL300007187979	0	54	0.0	-78.27	419.50	12.42	-65.85
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)C1	REAL300007187979	1	54	0.0	-78.27	419.50	12.42	-65.85
CCCC1=NC=CN1C1CCCN(C(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300007187980	0	48	0.0	-73.22	394.30	11.08	-62.14
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300007187980	1	48	0.0	-73.22	394.30	11.08	-62.14
CCCC1=NC=CN1C1CCCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300007187981	0	51	0.0	-80.33	407.26	11.95	-68.38
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300007187981	1	51	0.0	-80.33	407.26	11.95	-68.38
CCCC1=NC=CN1C1CCCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C1	REAL300007187982	0	51	0.0	-62.29	384.18	10.77	-51.52
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C1	REAL300007187982	1	51	0.0	-62.29	384.18	10.77	-51.52
CCCC1=NC=CN1C1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300007187983	0	58	0.0	-69.10	412.15	11.54	-57.56
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300007187983	1	58	0.0	-69.10	412.15	11.54	-57.56
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC12CCC(CC1)C2	REAL300007188027	0	50	0.0	-48.09	362.48	8.59	-39.50
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC12CCC(CC1)C2	REAL300007188027	1	50	0.0	-47.76	359.46	8.67	-39.09
CC(F)(F)C1(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007188185	0	46	0.0	-52.61	349.41	7.80	-44.81
CC(F)(F)C1(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007188185	1	46	0.0	-51.81	355.40	7.85	-43.96
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(CF)CC23CCOCC3)C1	REAL300007188303	0	51	0.0	-47.28	369.86	6.84	-40.44
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CF)CC23CCOCC3)C1	REAL300007188303	1	51	0.0	-48.94	375.26	7.02	-41.92
COC[C@H]1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300007188409	0	45	0.0	-47.39	333.50	4.65	-42.74
COC[C@H]1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300007188409	1	45	0.0	-49.83	334.40	5.25	-44.58
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC(Cl)=CC=C2Cl)C1	REAL300007188513	0	43	0.0	-50.03	368.69	9.12	-40.91
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC(Cl)=CC=C2Cl)C1	REAL300007188513	1	43	0.0	-49.79	361.39	9.05	-40.74
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(CCC(F)(F)F)C2)C1	REAL300007188642	0	49	0.0	-45.48	365.78	9.42	-36.06
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(CCC(F)(F)F)C2)C1	REAL300007188642	1	49	0.0	-48.69	372.48	9.90	-38.79
CC(C)(C)C1CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007188736	0	52	0.0	-46.87	372.57	8.70	-38.17
CC(C)(C)C1CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007188736	1	52	0.0	-44.19	370.69	8.26	-35.93
CC1(C)CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CO1	REAL300007188840	0	50	0.0	-50.63	369.31	6.70	-43.93
CC1(C)CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CO1	REAL300007188840	1	50	0.0	-50.83	375.11	6.72	-44.11
O=C([O-])C1CCC[N@H+](CC(=O)NCC23CCCC2C3(F)F)C1	REAL300007188921	0	44	0.0	-50.41	341.30	8.01	-42.40
O=C([O-])C1CCC[N@@H+](CC(=O)NCC23CCCC2C3(F)F)C1	REAL300007188921	1	44	0.0	-51.31	341.59	7.86	-43.45
COC[C@@H]1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300007188987	0	45	0.0	-50.16	340.58	5.07	-45.09
COC[C@@H]1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300007188987	1	45	0.0	-46.98	333.07	4.64	-42.34
CCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC=C1	REAL300007189075	0	52	0.0	-45.53	376.06	11.85	-33.68
CCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC=C1	REAL300007189075	1	52	0.0	-47.14	380.95	11.48	-35.66
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=NOC(C4CCCC4)=N3)C2)C1	REAL300007189182	0	56	0.0	-49.26	416.50	6.36	-42.90
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=NOC(C4CCCC4)=N3)C2)C1	REAL300007189182	1	56	0.0	-53.08	423.89	6.78	-46.30
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2C2CC2)C1	REAL300007189241	0	44	0.0	-48.51	330.24	9.55	-38.96
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2C2CC2)C1	REAL300007189241	1	44	0.0	-48.89	335.68	9.53	-39.36
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CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300007194863	1	52	0.0	-77.29	404.21	12.26	-65.03
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300007194863	1	52	0.0	-77.24	404.33	12.25	-64.99
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])O1	REAL300007194864	1	47	0.0	-63.64	361.73	10.29	-53.35
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])O1	REAL300007194864	1	47	0.0	-62.89	361.88	10.30	-52.59
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300007194865	0	56	0.0	-75.83	416.09	13.26	-62.57
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300007194865	1	56	0.0	-75.22	415.76	13.25	-61.97
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007194866	0	53	0.0	-84.71	403.23	12.67	-72.04
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007194866	1	53	0.0	-89.78	403.14	12.68	-77.10
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1CCCC(C(=O)[O-])C1	REAL300007194867	0	56	0.0	-89.33	393.66	11.77	-77.56
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1CCCC(C(=O)[O-])C1	REAL300007194867	1	56	0.0	-88.91	393.74	11.79	-77.12
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007194868	1	49	0.0	-77.05	371.93	9.73	-67.32
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007194868	1	49	0.0	-77.00	371.97	9.72	-67.28
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300007194869	1	49	0.0	-66.13	373.16	10.71	-55.42
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300007194869	1	49	0.0	-65.59	373.48	10.66	-54.93
CC(C)(CC(=O)[O-])CC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194870	0	55	0.0	-76.33	387.63	11.44	-64.89
CC(C)(CC(=O)[O-])CC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194870	1	55	0.0	-76.61	387.67	11.42	-65.19
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300007194871	1	50	0.0	-76.62	381.16	11.63	-64.99
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300007194871	1	50	0.0	-76.69	381.66	11.68	-65.01
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300007194872	1	48	0.0	-69.21	368.56	8.87	-60.34
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300007194872	1	48	0.0	-68.93	368.25	8.89	-60.04
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300007194873	0	56	0.0	-77.26	401.55	11.98	-65.28
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300007194873	1	56	0.0	-76.70	402.78	12.02	-64.68
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1CCC(C(=O)[O-])CC1	REAL300007194874	0	56	0.0	-77.48	400.49	11.94	-65.54
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1CCC(C(=O)[O-])CC1	REAL300007194874	1	56	0.0	-87.11	394.40	11.82	-75.29
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007194875	0	53	0.0	-90.87	403.23	12.68	-78.19
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007194875	1	53	0.0	-90.26	403.10	12.71	-77.55
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300007194876	0	49	0.0	-92.59	380.30	8.61	-83.98
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300007194876	1	49	0.0	-91.87	380.41	8.62	-83.25
CC1=NC(C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)=CC=C1C(=O)[O-]	REAL300007194877	1	52	0.0	-65.94	389.02	11.20	-54.74
CC1=NC(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)=CC=C1C(=O)[O-]	REAL300007194877	1	52	0.0	-68.31	392.82	11.36	-56.95
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007194878	0	50	0.0	-76.82	376.10	11.59	-65.23
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007194878	1	50	0.0	-78.73	375.82	11.58	-67.15
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007194879	0	53	0.0	-85.69	381.98	11.34	-74.35
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007194879	1	53	0.0	-83.51	382.84	11.41	-72.10
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007194880	0	53	0.0	-74.94	398.29	12.36	-62.58
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007194880	1	53	0.0	-75.24	398.65	12.38	-62.86
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=C(CC(=O)[O-])OC=C1	REAL300007194881	1	50	0.0	-70.99	377.30	10.64	-60.35
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=C(CC(=O)[O-])OC=C1	REAL300007194881	1	50	0.0	-80.34	377.43	10.67	-69.67
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194882	1	53	0.0	-61.65	403.02	11.32	-50.33
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194882	1	53	0.0	-81.73	408.45	11.51	-70.22
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007194883	1	49	0.0	-74.51	373.39	10.73	-63.78
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007194883	1	49	0.0	-76.28	373.64	10.69	-65.59
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CC1CCC(C(=O)[O-])CC1	REAL300007194884	0	59	0.0	-71.31	416.10	12.76	-58.55
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CC1CCC(C(=O)[O-])CC1	REAL300007194884	1	59	0.0	-84.46	423.45	12.94	-71.52
CC(C)(CC(=O)[O-])CC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194885	0	55	0.0	-76.33	387.63	11.44	-64.89
CC(C)(CC(=O)[O-])CC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194885	1	55	0.0	-76.61	387.67	11.42	-65.19
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC(=O)[O-]	REAL300007194886	0	49	0.0	-79.39	365.23	10.62	-68.77
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC(=O)[O-]	REAL300007194886	1	49	0.0	-79.88	365.42	10.60	-69.28
CC(CC(=O)[O-])CC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194887	0	52	0.0	-78.41	378.02	11.07	-67.34
CC(CC(=O)[O-])CC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194887	1	52	0.0	-77.94	377.80	11.08	-66.86
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300007194888	1	52	0.0	-82.07	398.43	11.21	-70.86
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300007194888	1	52	0.0	-97.17	406.12	10.68	-86.49
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=NOC(C(=O)[O-])=C1	REAL300007194889	1	46	0.0	-65.74	356.21	9.80	-55.94
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=NOC(C(=O)[O-])=C1	REAL300007194889	1	46	0.0	-65.76	356.26	9.79	-55.97
CC1=C(C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)C=C(C(=O)[O-])O1	REAL300007194890	1	50	0.0	-67.88	378.41	10.87	-57.01
CC1=C(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)C=C(C(=O)[O-])O1	REAL300007194890	1	50	0.0	-70.67	380.53	10.92	-59.75
CC1=C(C(=O)[O-])OC(C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)=C1	REAL300007194891	1	50	0.0	-62.88	379.75	10.87	-52.01
CC1=C(C(=O)[O-])OC(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)=C1	REAL300007194891	1	50	0.0	-63.68	379.64	10.87	-52.81
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CN1C=C(C(=O)[O-])C=N1	REAL300007194892	0	50	0.0	-87.88	385.24	10.10	-77.78
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CN1C=C(C(=O)[O-])C=N1	REAL300007194892	1	50	0.0	-87.09	385.18	10.10	-76.99
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300007194893	1	51	0.0	-68.89	395.08	11.64	-57.25
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300007194893	1	51	0.0	-67.54	394.93	11.50	-56.04
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007194894	0	54	0.0	-77.04	407.10	11.89	-65.15
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007194894	1	54	0.0	-79.09	406.83	11.87	-67.22
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCSCC(=O)[O-]	REAL300007194895	0	50	0.0	-74.55	388.26	11.21	-63.34
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCSCC(=O)[O-]	REAL300007194895	1	50	0.0	-74.76	388.45	11.19	-63.57
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300007194896	1	49	0.0	-66.13	373.16	10.71	-55.42
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300007194896	1	49	0.0	-65.59	373.48	10.66	-54.93
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)COCC(=O)[O-]	REAL300007194897	0	47	0.0	-81.82	357.32	9.74	-72.08
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)COCC(=O)[O-]	REAL300007194897	1	47	0.0	-82.39	357.55	9.74	-72.65
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194898	1	50	0.0	-74.69	377.51	9.33	-65.36
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194898	1	50	0.0	-74.62	377.14	9.36	-65.26
C[C@@H]1C[C@H](C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)O[C@H]1C(=O)[O-]	REAL300007194899	0	54	0.0	-85.68	397.22	11.22	-74.46
C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)O[C@H]1C(=O)[O-]	REAL300007194899	1	54	0.0	-82.60	396.75	11.20	-71.40
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007194900	0	53	0.0	-70.14	398.27	12.37	-57.77
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007194900	1	53	0.0	-74.46	398.00	12.36	-62.10
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300007194901	0	54	0.0	-79.12	408.19	12.88	-66.24
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300007194901	1	54	0.0	-79.02	408.26	12.89	-66.13
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300007194902	0	51	0.0	-78.59	396.45	11.43	-67.16
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300007194902	1	51	0.0	-78.34	396.51	11.44	-66.90
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300007194903	0	53	0.0	-84.72	411.35	7.63	-77.09
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300007194903	1	53	0.0	-88.86	411.24	7.61	-81.25
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300007194904	0	51	0.0	-72.00	398.01	11.78	-60.22
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300007194904	1	51	0.0	-72.35	398.07	11.79	-60.56
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007194905	0	53	0.0	-85.69	381.98	11.34	-74.35
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007194905	1	53	0.0	-83.51	382.84	11.41	-72.10
CC1=CC=C(C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)C=C1C(=O)[O-]	REAL300007194906	0	53	0.0	-86.08	396.28	12.23	-73.85
CC1=CC=C(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)C=C1C(=O)[O-]	REAL300007194906	1	53	0.0	-86.20	395.62	12.22	-73.98
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007194907	1	49	0.0	-77.75	371.22	9.71	-68.04
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007194907	1	49	0.0	-77.71	371.27	9.69	-68.02
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194908	1	52	0.0	-67.76	392.85	10.43	-57.33
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194908	1	52	0.0	-67.96	391.80	10.51	-57.45
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CN1C=CC(C(=O)[O-])=N1	REAL300007194909	0	50	0.0	-101.30	384.61	10.11	-91.19
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CN1C=CC(C(=O)[O-])=N1	REAL300007194909	1	50	0.0	-95.94	384.53	10.13	-85.81
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300007194910	0	56	0.0	-99.63	428.25	11.55	-88.08
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300007194910	1	56	0.0	-96.22	428.16	11.54	-84.68
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007194911	0	50	0.0	-73.81	363.82	10.96	-62.85
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007194911	1	50	0.0	-83.91	364.23	11.35	-72.56
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300007194912	0	57	0.0	-86.46	419.89	11.69	-74.77
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300007194912	1	57	0.0	-87.52	418.34	11.63	-75.89
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300007194913	0	57	0.0	-79.34	421.37	10.81	-68.53
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300007194913	1	57	0.0	-76.56	421.26	10.82	-65.74
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007194914	0	50	0.0	-73.81	363.82	10.96	-62.85
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007194914	1	50	0.0	-83.91	364.23	11.35	-72.56
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300007194915	0	47	0.0	-82.64	348.72	11.20	-71.44
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300007194915	1	47	0.0	-84.55	349.95	11.25	-73.30
CC1=C(C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)OC(C(=O)[O-])=C1	REAL300007194916	1	50	0.0	-62.97	379.54	10.96	-52.01
CC1=C(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)OC(C(=O)[O-])=C1	REAL300007194916	1	50	0.0	-63.76	379.46	10.98	-52.78
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300007194917	0	58	0.0	-67.73	406.30	13.03	-54.70
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300007194917	1	58	0.0	-64.64	399.28	13.18	-51.46
CCC(C(=O)[O-])C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194918	0	49	0.0	-51.37	358.56	10.24	-41.13
CCC(C(=O)[O-])C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194918	1	49	0.0	-59.08	361.31	10.26	-48.82
CC(C)C(C(=O)[O-])C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194919	0	52	0.0	-62.08	380.17	10.81	-51.27
CC(C)C(C(=O)[O-])C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194919	1	52	0.0	-60.10	374.92	10.80	-49.30
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300007194920	0	56	0.0	-75.34	390.91	12.08	-63.26
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300007194920	1	56	0.0	-83.55	390.94	12.02	-71.53
CC1(C)CN(CC2=CC=CC=C2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007194921	0	58	0.0	-43.72	413.31	9.78	-33.94
CC1(C)CN(CC2=CC=CC=C2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007194921	1	58	0.0	-47.07	420.80	10.23	-36.84
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300007194922	0	47	0.0	-74.51	354.47	10.50	-64.01
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300007194922	1	47	0.0	-71.74	354.35	10.49	-61.25
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1CC2(CC2C(=O)[O-])C1	REAL300007194923	0	54	0.0	-70.50	400.75	12.31	-58.19
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1CC2(CC2C(=O)[O-])C1	REAL300007194923	1	54	0.0	-80.75	400.92	12.35	-68.40
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007194924	0	50	0.0	-82.57	369.64	10.94	-71.63
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007194924	1	50	0.0	-81.87	369.75	10.94	-70.93
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194925	0	56	0.0	-84.17	406.93	12.94	-71.23
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194925	1	56	0.0	-85.29	408.00	12.88	-72.41
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194926	0	53	0.0	-70.32	397.56	12.24	-58.08
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194926	1	53	0.0	-70.20	396.42	12.33	-57.87
CC1(C(=O)[O-])CC(C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)C1	REAL300007194927	0	53	0.0	-66.73	387.24	11.39	-55.34
CC1(C(=O)[O-])CC(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)C1	REAL300007194927	1	53	0.0	-77.19	380.05	11.09	-66.10
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC(C(=O)[O-])=NN1	REAL300007194928	1	47	0.0	-82.46	358.95	8.46	-74.00
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC(C(=O)[O-])=NN1	REAL300007194928	1	47	0.0	-81.88	359.09	8.46	-73.42
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194929	1	52	0.0	-73.58	387.18	10.31	-63.27
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194929	1	52	0.0	-73.00	386.23	10.31	-62.69
CCCC(C(=O)[O-])C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194930	0	52	0.0	-55.96	378.62	10.89	-45.07
CCCC(C(=O)[O-])C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194930	1	52	0.0	-61.24	379.37	11.07	-50.17
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194931	0	53	0.0	-76.59	398.33	12.32	-64.27
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194931	1	53	0.0	-76.81	396.40	12.32	-64.49
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300007194932	0	50	0.0	-75.13	389.44	12.07	-63.06
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300007194932	1	50	0.0	-75.16	389.96	12.10	-63.06
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300007194933	0	57	0.0	-80.50	418.06	12.80	-67.70
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300007194933	1	57	0.0	-77.66	417.80	12.81	-64.85
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)=C1	REAL300007194934	1	53	0.0	-57.06	403.23	10.03	-47.03
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)=C1	REAL300007194934	1	53	0.0	-58.16	403.41	10.08	-48.08
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194935	0	51	0.0	-76.63	377.39	10.88	-65.75
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194935	1	51	0.0	-77.62	377.19	10.90	-66.72
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300007194936	0	56	0.0	-75.69	419.67	13.18	-62.51
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300007194936	1	56	0.0	-78.45	419.40	13.16	-65.29
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CC1(CC(=O)[O-])CC1	REAL300007194937	0	53	0.0	-67.52	388.54	11.69	-55.83
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CC1(CC(=O)[O-])CC1	REAL300007194937	1	53	0.0	-71.77	387.19	11.68	-60.09
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300007194938	0	54	0.0	-85.26	411.18	12.43	-72.83
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300007194938	1	54	0.0	-75.20	411.41	12.47	-62.73
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CSC(C(=O)[O-])=N1	REAL300007194939	1	46	0.0	-56.57	364.90	9.62	-46.95
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CSC(C(=O)[O-])=N1	REAL300007194939	1	46	0.0	-54.82	365.10	9.59	-45.23
COC(C(=O)[O-])C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194940	0	47	0.0	-62.99	348.72	9.15	-53.84
COC(C(=O)[O-])C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194940	1	47	0.0	-57.75	349.73	9.19	-48.56
C[C@]1(C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)C[C@H]1C(=O)[O-]	REAL300007194941	0	50	0.0	-77.87	371.02	10.86	-67.01
C[C@]1(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)C[C@H]1C(=O)[O-]	REAL300007194941	1	50	0.0	-48.31	363.78	10.52	-37.79
CC1=C(C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)C=C(C(=O)[O-])S1	REAL300007194942	1	50	0.0	-63.84	385.38	11.48	-52.36
CC1=C(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)C=C(C(=O)[O-])S1	REAL300007194942	1	50	0.0	-66.37	385.15	11.45	-54.92
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300007194943	0	55	0.0	-70.95	411.54	11.49	-59.46
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300007194943	1	55	0.0	-72.41	412.14	11.50	-60.91
CC(C(=O)[O-])C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194944	0	46	0.0	-77.47	336.12	10.18	-67.29
CC(C(=O)[O-])C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194944	1	46	0.0	-79.07	336.25	10.18	-68.89
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300007194945	0	54	0.0	-82.28	411.85	13.19	-69.09
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300007194945	1	54	0.0	-82.09	411.98	13.18	-68.91
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300007194946	0	51	0.0	-68.00	400.05	11.23	-56.77
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300007194946	1	51	0.0	-68.19	400.43	11.21	-56.98
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300007194947	0	51	0.0	-80.02	400.29	11.36	-68.66
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300007194947	1	51	0.0	-80.90	400.77	11.34	-69.56
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300007194948	0	51	0.0	-69.88	391.60	10.35	-59.53
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300007194948	1	51	0.0	-69.93	391.98	10.33	-59.60
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194949	0	53	0.0	-78.07	392.09	12.12	-65.95
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194949	1	53	0.0	-78.51	391.53	12.12	-66.39
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300007194950	0	53	0.0	-83.12	407.65	11.41	-71.71
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300007194950	1	53	0.0	-83.06	407.72	11.41	-71.65
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC(C(=O)[O-])=CS1	REAL300007194951	1	47	0.0	-80.14	369.64	10.67	-69.47
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC(C(=O)[O-])=CS1	REAL300007194951	1	47	0.0	-84.59	370.28	10.73	-73.86
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300007194952	0	55	0.0	-72.06	397.33	10.38	-61.68
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300007194952	1	55	0.0	-62.42	396.29	10.65	-51.77
CC(C)[C@]1(C(=O)N2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)C[C@H]1C(=O)[O-]	REAL300007194953	0	56	0.0	-69.64	401.54	11.61	-58.03
CC(C)[C@]1(C(=O)N2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)C[C@H]1C(=O)[O-]	REAL300007194953	1	56	0.0	-53.45	402.27	11.61	-41.84
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194954	0	56	0.0	-92.42	419.89	13.14	-79.28
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194954	1	56	0.0	-93.10	419.95	13.14	-79.96
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300007194955	0	50	0.0	-85.36	394.78	11.81	-73.55
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300007194955	1	50	0.0	-88.39	394.67	11.82	-76.57
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300007194956	0	53	0.0	-93.73	407.77	12.69	-81.04
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300007194956	1	53	0.0	-93.72	407.72	12.69	-81.03
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194957	0	53	0.0	-63.67	384.63	11.49	-52.18
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300007194957	1	53	0.0	-75.20	384.13	11.50	-63.70
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(C=CCO3)C2)C1	REAL300007195001	0	46	0.0	-44.14	333.87	7.01	-37.13
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(C=CCO3)C2)C1	REAL300007195001	1	46	0.0	-50.08	334.99	7.46	-42.62
CC1=CC=C(C(C)C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007195218	0	49	0.0	-49.01	367.97	10.05	-38.96
CC1=CC=C(C(C)C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007195218	1	49	0.0	-49.56	362.47	10.08	-39.48
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)=CC=C21	REAL300007196305	0	54	0.0	-81.70	425.66	12.98	-68.72
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)=CC=C21	REAL300007196881	0	51	0.0	-74.09	409.91	12.43	-61.66
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)=CC=C21	REAL300007196881	1	51	0.0	-73.13	408.58	12.41	-60.72
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[NH+](C4CC4)CC3)=CC=C21	REAL300007197738	0	48	0.0	-75.79	374.00	10.61	-65.18
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+]3C3CC3)=CC=C21	REAL300007197764	0	45	0.0	-71.28	357.63	9.73	-61.55
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+]3C3CC3)=CC=C21	REAL300007197764	1	45	0.0	-68.41	357.33	10.06	-58.35
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C4C(=C3)C=CN4CC(=O)[O-])CN21	REAL300007197770	1	46	0.0	-68.51	372.23	10.47	-58.04
O=C([O-])CN1C=CC2=CC(NC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)=CC=C21	REAL300007197771	0	54	0.0	-70.33	428.94	12.96	-57.37
C[N@@H+]1CCCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007197850	0	44	0.0	-68.63	346.52	9.37	-59.26
C[N@H+]1CCCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007197850	1	44	0.0	-68.68	346.62	9.36	-59.32
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])N1CC[NH+](C)CC1	REAL300007197851	1	49	0.0	-74.05	378.12	7.60	-66.45
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007197892	0	44	0.0	-68.63	346.45	9.36	-59.27
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007197892	1	44	0.0	-71.80	337.26	9.15	-62.65
C[NH+]1CCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007197977	0	44	0.0	-78.69	349.16	9.41	-69.28
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CN4C=[NH+]C=C4C=C3)=CC=C21	REAL300007198005	0	39	0.0	-74.94	334.98	11.27	-63.67
C[NH+](C)CC1(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CCCCC1	REAL300007198040	0	53	0.0	-76.73	387.50	11.20	-65.53
C[N@H+](CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCCCC1	REAL300007198045	0	53	0.0	-76.56	403.22	11.34	-65.22
C[N@@H+](CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCCCC1	REAL300007198045	1	53	0.0	-76.40	403.22	11.35	-65.05
C[N@@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198061	0	41	0.0	-73.05	324.82	8.31	-64.74
C[N@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198061	1	41	0.0	-70.80	329.58	8.78	-62.02
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)=CC=C21	REAL300007198066	1	51	0.0	-73.39	408.87	11.98	-61.41
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)=CC=C21	REAL300007198066	1	51	0.0	-75.42	414.84	12.50	-62.92
C[NH+]1CCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198116	0	44	0.0	-78.69	349.16	9.41	-69.28
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)=CC=C21	REAL300007198120	0	47	0.0	-81.06	393.86	10.37	-70.69
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@@H+]3C3CCCC3)=CC=C21	REAL300007198139	0	54	0.0	-68.74	397.24	11.66	-57.08
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@H+]3C3CCCC3)=CC=C21	REAL300007198139	1	54	0.0	-66.33	401.82	11.59	-54.74
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC([NH+]4CCOCC4)CC3)=CC=C21	REAL300007198140	0	55	0.0	-82.84	416.31	10.02	-72.82
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198175	1	45	0.0	-72.00	375.78	10.66	-61.34
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC[NH+]3CCOCC3)=CC=C21	REAL300007198176	1	51	0.0	-79.06	403.08	9.34	-69.72
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=C1)C(C)C	REAL300007198179	0	56	0.0	-79.60	431.02	12.85	-66.75
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=C1)C(C)C	REAL300007198179	1	56	0.0	-79.54	422.65	12.43	-67.11
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198182	0	41	0.0	-71.39	324.63	8.33	-63.06
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198182	1	41	0.0	-69.32	330.91	8.82	-60.50
C[NH+](C)C1(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198191	1	41	0.0	-79.37	326.82	9.35	-70.02
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300007198237	0	51	0.0	-75.26	407.64	12.14	-63.12
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300007198237	1	51	0.0	-76.81	409.50	12.21	-64.60
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[NH+](C4CCSC4)CC3)=CC=C21	REAL300007198238	0	52	0.0	-82.54	404.36	11.38	-71.16
O=C([O-])CN1C=CC2=CC(NC(=O)CC3([NH+]4CCOCC4)CCCC3)=CC=C21	REAL300007198262	0	55	0.0	-75.14	401.27	9.61	-65.53
CCC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](CC)CC	REAL300007198266	0	49	0.0	-66.55	367.38	10.19	-56.36
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300007198268	1	50	0.0	-74.58	398.16	11.79	-62.79
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300007198268	1	50	0.0	-74.11	399.46	11.74	-62.37
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=N1	REAL300007198301	0	46	0.0	-78.83	378.47	9.78	-69.05
CCC[NH+](CCC)CCCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198307	0	55	0.0	-75.39	426.79	11.97	-63.42
CC[N@H+](C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1=CC=CC=C1	REAL300007198308	1	50	0.0	-67.80	398.19	11.89	-55.91
CC[N@@H+](C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1=CC=CC=C1	REAL300007198308	1	50	0.0	-69.29	397.26	11.90	-57.39
C[N@@H+]1CCOC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007198310	1	42	0.0	-75.03	334.76	7.94	-67.09
C[N@H+]1CCOC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007198310	1	42	0.0	-83.05	342.23	8.12	-74.93
CC[NH+](CC)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1=CC=CC=C1	REAL300007198312	0	53	0.0	-69.27	403.42	12.01	-57.26
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198321	1	45	0.0	-69.15	370.54	10.49	-58.66
C[NH+](C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007198326	1	47	0.0	-73.22	396.26	11.76	-61.46
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)=CC=C21	REAL300007198338	0	51	0.0	-82.48	407.78	12.38	-70.10
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)=CC=C21	REAL300007198345	0	54	0.0	-77.08	424.24	13.10	-63.98
C[NH+](C)CC1(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198351	0	44	0.0	-76.18	355.70	9.57	-66.61
C[NH+](C)CCCCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198360	0	46	0.0	-77.32	370.17	9.89	-67.43
CC(C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](C)C	REAL300007198369	0	46	0.0	-74.48	357.48	9.35	-65.13
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)=CC=C21	REAL300007198382	0	54	0.0	-71.67	413.83	12.72	-58.95
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)=CC=C21	REAL300007198382	1	54	0.0	-70.35	414.02	12.74	-57.61
CC1=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007198384	1	45	0.0	-82.50	379.03	9.62	-72.88
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)=CC=C21	REAL300007198392	0	54	0.0	-82.82	424.52	13.09	-69.73
O=C([O-])CN1C=CC2=CC(NC(=O)C3=NOC(C[NH+]4CCCC4)=C3)=CC=C21	REAL300007198406	1	47	0.0	-80.39	388.21	9.84	-70.55
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=C1	REAL300007198407	0	50	0.0	-84.69	405.45	12.07	-72.62
O=C([O-])CN1C=CC2=CC(NC(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)=CC=C21	REAL300007198420	1	52	0.0	-83.02	411.45	11.52	-71.50
O=C([O-])CN1C=CC2=CC(NC(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)=CC=C21	REAL300007198420	1	52	0.0	-79.44	411.51	11.52	-67.92
CCC[N@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198429	0	43	0.0	-73.59	344.04	9.16	-64.43
CCC[N@@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198429	1	43	0.0	-73.10	343.76	9.18	-63.92
C[N@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCC1	REAL300007198452	0	44	0.0	-70.98	351.03	9.73	-61.25
C[N@@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCC1	REAL300007198452	1	44	0.0	-71.29	350.93	9.73	-61.56
C[N@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])CC(C)(C)C	REAL300007198483	0	49	0.0	-74.13	374.08	10.24	-63.89
C[N@@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])CC(C)(C)C	REAL300007198483	1	49	0.0	-72.33	374.93	10.32	-62.01
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198485	1	50	0.0	-77.73	403.94	12.19	-65.54
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198485	1	50	0.0	-77.76	403.94	12.19	-65.57
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198486	0	54	0.0	-76.15	432.97	8.37	-67.78
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198486	1	54	0.0	-76.97	432.99	8.37	-68.60
CC[C@@H](C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](C)C	REAL300007198490	0	43	0.0	-69.54	334.50	8.78	-60.76
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007198492	0	48	0.0	-69.36	365.44	7.82	-61.54
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007198492	1	48	0.0	-75.46	362.37	7.94	-67.52
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)=CC=C21	REAL300007198511	1	53	0.0	-74.76	408.73	11.00	-63.76
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)=CC=C21	REAL300007198511	1	53	0.0	-74.98	408.98	11.00	-63.98
CCCCCC[N@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198514	0	52	0.0	-74.70	408.54	11.50	-63.20
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198514	1	52	0.0	-74.13	408.26	11.52	-62.61
O=C([O-])CN1C=CC2=CC(NC(=O)C34CCC[NH+]3CCC4)=CC=C21	REAL300007198524	0	45	0.0	-71.38	349.05	9.70	-61.68
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC4=C[NH+]=CN4C=C3)=CC=C21	REAL300007198532	1	39	0.0	-80.28	335.25	11.28	-69.00
C[N@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCSC1	REAL300007198545	1	45	0.0	-78.16	364.30	9.98	-68.18
C[N@@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCSC1	REAL300007198545	1	45	0.0	-77.51	363.80	10.02	-67.49
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198561	0	55	0.0	-74.28	420.16	8.93	-65.35
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198561	1	55	0.0	-77.29	416.47	8.73	-68.56
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198562	0	58	0.0	-73.04	441.66	9.73	-63.31
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198562	1	58	0.0	-77.38	438.47	9.57	-67.81
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC4CCC[N@@H+]43)=CC=C21	REAL300007198563	0	48	0.0	-70.56	361.05	10.31	-60.25
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC4CCC[N@H+]43)=CC=C21	REAL300007198563	1	48	0.0	-71.38	361.34	10.33	-61.05
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=N1	REAL300007198565	0	47	0.0	-83.19	389.13	9.25	-73.94
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)=CC=C21	REAL300007198576	0	53	0.0	-77.46	414.88	11.37	-66.09
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)=CC=C21	REAL300007198576	1	53	0.0	-78.28	414.81	11.37	-66.91
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007198581	1	51	0.0	-72.35	403.13	12.13	-60.22
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007198581	1	51	0.0	-72.82	399.57	12.30	-60.52
CCCC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](C)C	REAL300007198600	0	46	0.0	-69.94	356.53	9.56	-60.38
O=C([O-])CN1C=CC2=CC(NC(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300007198601	0	54	0.0	-81.28	429.94	12.97	-68.31
O=C([O-])CN1C=CC2=CC(NC(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300007198601	1	54	0.0	-78.64	429.35	12.97	-65.67
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300007198616	0	47	0.0	-89.28	389.49	9.28	-80.00
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198617	0	47	0.0	-78.70	377.04	9.65	-69.05
C[C@@H]1[C@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC[N@@H+]1C	REAL300007198621	0	44	0.0	-79.77	341.15	8.74	-71.03
C[C@@H]1[C@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC[N@H+]1C	REAL300007198621	1	44	0.0	-74.09	346.94	9.12	-64.97
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198623	1	48	0.0	-70.55	390.76	10.96	-59.59
CC[C@@H]1[C@@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC[N@@H+]1C	REAL300007198626	0	47	0.0	-74.67	361.28	9.44	-65.23
CC[C@@H]1[C@@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC[N@H+]1C	REAL300007198626	1	47	0.0	-76.47	367.31	9.74	-66.73
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=NN1	REAL300007198628	1	48	0.0	-81.02	390.59	8.84	-72.18
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=NN1	REAL300007198628	1	48	0.0	-79.93	390.74	8.82	-71.11
CC1C[N@H+](C)CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])O1	REAL300007198635	1	45	0.0	-83.68	363.40	8.85	-74.83
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])O1	REAL300007198635	1	45	0.0	-84.03	356.15	8.42	-75.61
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)=CC=C21	REAL300007198641	1	50	0.0	-67.49	405.35	10.85	-56.64
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+]3CC3=CC=CC=N3)=CC=C21	REAL300007198641	1	50	0.0	-68.37	398.13	10.06	-58.31
O=C([O-])CN1C=CC2=CC(NC(=O)C[NH+]3CCCC3)=CC=C21	REAL300007198644	0	41	0.0	-73.50	328.77	8.77	-64.73
CC1=[NH+]C=CN1CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198646	1	39	0.0	-69.21	334.24	9.38	-59.83
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198648	1	48	0.0	-75.90	376.37	8.47	-67.43
CC1CC[NH+](CC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198664	0	47	0.0	-73.33	367.72	10.25	-63.08
CC[N@@H+]1CCOC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007198675	1	45	0.0	-80.20	359.40	8.78	-71.42
CC[N@H+]1CCOC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007198675	1	45	0.0	-73.55	352.55	8.59	-64.96
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198712	1	54	0.0	-81.99	426.39	11.31	-70.68
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[N@@H+](C4CCCCC4)C3)=CC=C21	REAL300007198713	0	54	0.0	-72.13	410.44	11.68	-60.45
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[N@H+](C4CCCCC4)C3)=CC=C21	REAL300007198713	1	54	0.0	-73.19	409.52	11.62	-61.57
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198719	0	47	0.0	-76.33	371.92	10.26	-66.07
C[N@H+]1CCCC1CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198719	1	47	0.0	-74.46	366.72	9.77	-64.69
O=C([O-])CN1C=CC2=CC(NC(=O)C34CCC[NH+](CCC3)C4)=CC=C21	REAL300007198732	0	48	0.0	-73.80	362.01	9.95	-63.85
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198734	1	45	0.0	-78.71	353.35	5.82	-72.89
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198734	1	45	0.0	-77.35	351.27	5.89	-71.46
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC4CCCC[N@@H+]43)=CC=C21	REAL300007198735	0	48	0.0	-68.76	366.44	10.25	-58.51
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC4CCCC[N@H+]43)=CC=C21	REAL300007198735	1	48	0.0	-67.76	372.61	10.69	-57.07
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198742	0	51	0.0	-70.77	385.52	8.82	-61.95
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=N1	REAL300007198747	0	54	0.0	-85.30	411.30	9.90	-75.40
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=N1	REAL300007198747	1	54	0.0	-86.26	429.10	10.56	-75.70
CC[NH+](CC)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198759	0	43	0.0	-71.63	340.63	9.08	-62.55
CC(C)[NH+]1CCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198761	0	50	0.0	-76.88	383.47	10.59	-66.29
O=C([O-])CN1C=CC2=CC(NC(=O)C34CC[NH+](CC3)C4)=CC=C21	REAL300007198841	0	42	0.0	-76.44	336.43	8.27	-68.17
CCC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](C)C	REAL300007198844	0	43	0.0	-70.01	335.40	8.79	-61.22
O=C([O-])CN1C=CC2=CC(NC(=O)C34CC[N@H+](C3)CCC4)=CC=C21	REAL300007198852	0	45	0.0	-74.05	346.13	8.97	-65.08
O=C([O-])CN1C=CC2=CC(NC(=O)C34CC[N@@H+](C3)CCC4)=CC=C21	REAL300007198852	1	45	0.0	-74.36	346.82	8.97	-65.39
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198899	0	47	0.0	-70.47	362.07	9.63	-60.84
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=C1	REAL300007198900	0	47	0.0	-77.02	382.97	11.23	-65.79
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300007198901	0	54	0.0	-74.06	425.74	12.93	-61.13
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300007198901	1	54	0.0	-74.72	425.66	12.93	-61.79
C[NH+](C)C1(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CCC1	REAL300007198939	0	44	0.0	-75.43	338.04	8.88	-66.55
C#CC[NH+]1CCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198968	0	46	0.0	-79.35	373.84	10.56	-68.79
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198970	0	50	0.0	-67.94	385.41	10.78	-57.16
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198970	1	50	0.0	-67.64	386.03	10.73	-56.91
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198971	0	47	0.0	-61.12	375.64	11.47	-49.65
CC[NH+]1CCN(CCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198973	0	52	0.0	-78.39	402.25	8.27	-70.12
CCN1CC[NH+](CCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007198973	1	52	0.0	-76.34	403.42	8.41	-67.93
CC(C)[N@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198974	0	43	0.0	-70.82	339.23	8.94	-61.88
CC(C)[N@@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198974	1	43	0.0	-70.29	338.95	8.96	-61.33
CC(C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+]1CCCCC1	REAL300007198975	0	53	0.0	-70.29	394.18	11.75	-58.54
C[NH+](C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1=CC=CC=C1	REAL300007198976	1	47	0.0	-69.46	379.18	11.25	-58.21
O=C([O-])CN1C=CC2=CC(NC(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300007198980	0	52	0.0	-72.62	418.73	9.20	-63.42
O=C([O-])CN1C=CC2=CC(NC(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300007198980	1	52	0.0	-72.46	417.93	9.15	-63.31
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007198985	1	48	0.0	-68.70	390.22	10.91	-57.79
C[NH+](C)CC1=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])OC2=CC=CC=C21	REAL300007198987	0	50	0.0	-63.74	404.06	11.57	-52.17
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+]3C3CCCC3)=CC=C21	REAL300007198993	0	51	0.0	-71.63	381.02	10.86	-60.77
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+]3C3CCCC3)=CC=C21	REAL300007198993	1	51	0.0	-68.05	388.15	11.15	-56.90
CC[N@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CC1	REAL300007198995	0	44	0.0	-70.51	353.40	9.78	-60.73
CC[N@@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CC1	REAL300007198995	1	44	0.0	-70.98	351.01	9.76	-61.22
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+]1CCCCCC1	REAL300007199024	0	50	0.0	-68.68	374.27	10.20	-58.48
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007199028	0	41	0.0	-69.21	330.39	8.70	-60.51
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007199028	1	41	0.0	-71.19	324.80	8.30	-62.89
CC(C)(C)[NH2+]CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007199113	0	43	0.0	-72.20	343.76	7.48	-64.72
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])O1	REAL300007199115	0	50	0.0	-78.24	404.20	10.93	-67.31
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC[NH+]3CCCC3)=CC=C21	REAL300007199116	0	50	0.0	-75.69	396.14	11.07	-64.62
CC1=CC=C(N2CCC(C(=O)NC3=CC=C4C(=C3)C=CN4CC(=O)[O-])CC2)[NH+]=C1	REAL300007199118	1	53	0.0	-75.62	419.15	10.81	-64.81
C[N@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])CC1=CC=CC=C1	REAL300007199119	1	47	0.0	-78.09	381.47	11.34	-66.75
C[N@@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])CC1=CC=CC=C1	REAL300007199119	1	47	0.0	-79.36	381.46	11.34	-68.02
CC(C)[C@@H](C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](C)C	REAL300007199130	0	46	0.0	-71.15	354.11	9.74	-61.41
C[NH+](C)CC1=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=NO1	REAL300007199176	1	43	0.0	-81.24	363.92	8.78	-72.46
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007199180	0	54	0.0	-80.18	429.25	12.74	-67.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007199180	1	54	0.0	-78.36	425.39	12.84	-65.52
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007199194	0	47	0.0	-69.95	356.76	9.79	-60.16
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007199194	1	47	0.0	-69.76	356.70	9.75	-60.01
C[NH+]1CCC(OCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007199216	0	48	0.0	-81.03	384.76	9.77	-71.26
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)=CC=C21	REAL300007199221	0	51	0.0	-79.96	409.89	11.34	-68.62
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007199411	0	50	0.0	-67.52	382.55	10.97	-56.55
CCC[N@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007199411	1	50	0.0	-74.46	388.81	10.77	-63.69
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007199442	0	50	0.0	-70.87	389.59	10.92	-59.95
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007199442	1	50	0.0	-69.96	389.51	10.96	-59.00
O=C([O-])CN1C=CC2=CC(NC(=O)C[NH+]3CCC(CO)CC3)=CC=C21	REAL300007199443	1	48	0.0	-74.22	378.51	6.93	-67.29
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007199671	0	50	0.0	-71.74	383.97	10.53	-61.21
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007199671	1	50	0.0	-72.89	383.98	10.54	-62.35
C[N@@H+]1CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(C(F)(F)F)C1	REAL300007199672	0	44	0.0	-78.35	358.52	9.87	-68.48
C[N@H+]1CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(C(F)(F)F)C1	REAL300007199672	1	44	0.0	-80.28	355.53	9.99	-70.29
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])N1	REAL300007199697	1	45	0.0	-69.60	375.05	9.04	-60.56
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=C1	REAL300007200184	0	50	0.0	-78.07	405.46	12.07	-66.00
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=C1	REAL300007200191	0	51	0.0	-82.60	412.76	11.02	-71.58
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007200330	0	44	0.0	-74.29	354.36	9.48	-64.81
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300007200334	0	50	0.0	-67.45	376.89	10.43	-57.02
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007200400	0	53	0.0	-72.93	405.65	11.48	-61.45
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007200400	1	53	0.0	-72.93	405.65	11.48	-61.45
CC[N@@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007200401	0	47	0.0	-66.96	360.57	10.21	-56.75
CC[N@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007200401	1	47	0.0	-66.96	360.57	10.21	-56.75
C[N@@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007200405	0	44	0.0	-74.40	349.15	9.36	-65.04
C[N@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300007200405	1	44	0.0	-74.40	349.15	9.36	-65.04
CN(C)CC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])O1	REAL300007200407	0	44	0.0	-81.42	369.34	9.56	-71.86
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CC1CC[NH+](CC(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)CC1	REAL300007203906	0	46	0.0	-57.87	353.24	4.13	-53.74
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007203919	1	44	0.0	-75.62	347.47	3.54	-72.08
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007203919	1	44	0.0	-53.06	339.86	3.31	-49.75
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)CC1	REAL300007203949	1	53	0.0	-72.80	411.28	5.14	-67.66
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(O)C1=CC=CN=C1	REAL300007203950	0	53	0.0	-62.43	396.27	5.57	-56.86
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(O)C1=CC=CN=C1	REAL300007203950	1	53	0.0	-65.42	397.88	6.34	-59.08
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1	REAL300007203957	0	46	0.0	-65.43	357.67	4.12	-61.31
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1	REAL300007203957	1	46	0.0	-65.24	352.22	3.65	-61.59
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C(O)C1=CC=CN=C1	REAL300007203968	0	47	0.0	-59.49	353.19	4.85	-54.64
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C(O)C1=CC=CN=C1	REAL300007203968	1	47	0.0	-52.66	348.94	4.01	-48.65
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C(=O)[O-])C(O)C3=CC=CN=C3)=C2)CC1	REAL300007203980	0	55	0.0	-79.42	429.03	5.35	-74.07
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C(=O)[O-])C(O)C3=CC=CN=C3)C=C2)CC1	REAL300007203981	0	55	0.0	-77.42	426.24	4.51	-72.91
CN1CC[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C(O)C3=CC=CN=C3)C=C2)CC1	REAL300007203981	1	55	0.0	-79.94	425.71	4.39	-75.55
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)CC1	REAL300007203990	0	49	0.0	-66.19	368.37	4.43	-61.76
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C(O)C1=CC=CN=C1	REAL300007204058	0	41	0.0	-67.22	319.72	2.07	-65.15
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C(O)C1=CC=CN=C1	REAL300007204067	0	44	0.0	-71.07	334.25	3.61	-67.46
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C(O)C1=CC=CN=C1	REAL300007204067	1	44	0.0	-68.07	333.21	2.93	-65.14
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1	REAL300007204106	0	46	0.0	-55.01	347.42	3.65	-51.36
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)=C1	REAL300007204107	0	46	0.0	-74.54	369.38	5.18	-69.36
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(O)C1=CC=CN=C1	REAL300007204108	0	53	0.0	-62.36	407.35	7.75	-54.61
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(O)C1=CC=CN=C1	REAL300007204108	1	53	0.0	-65.89	413.37	7.63	-58.26
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)CC1	REAL300007204163	0	45	0.0	-73.00	361.77	5.23	-67.77
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)CC1	REAL300007204165	0	51	0.0	-71.20	389.33	2.30	-68.90
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)CC1	REAL300007204165	1	51	0.0	-66.11	391.09	3.03	-63.08
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1	REAL300007204172	1	47	0.0	-60.58	377.56	4.91	-55.67
CC[N@H+](CC(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1)C1CC1	REAL300007204178	0	43	0.0	-55.70	340.96	4.44	-51.26
CC[N@@H+](CC(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1)C1CC1	REAL300007204178	1	43	0.0	-57.45	338.19	3.78	-53.67
CC(C(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1)[NH+]1CCCCCC1	REAL300007204205	0	49	0.0	-57.53	362.55	4.80	-52.73
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C(O)C3=CC=CN=C3)=CC=C1N2	REAL300007204243	1	51	0.0	-83.02	404.95	6.31	-76.71
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C(O)C3=CC=CN=C3)=CC=C1N2	REAL300007204243	1	51	0.0	-80.37	403.44	5.54	-74.83
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)O1	REAL300007204282	0	49	0.0	-74.99	386.11	4.54	-70.45
O=C([O-])C(NC(=O)CCCC[NH+]1CCCC1)C(O)C1=CC=CN=C1	REAL300007204283	0	49	0.0	-71.90	383.69	5.72	-66.18
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C(O)C3=CC=CN=C3)CC2)[NH+]=C1	REAL300007204285	1	52	0.0	-69.88	405.27	4.75	-65.13
C[N@H+](CC(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1)CC1=CC=CC=C1	REAL300007204286	1	46	0.0	-60.81	366.13	5.18	-55.63
C[N@@H+](CC(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1)CC1=CC=CC=C1	REAL300007204286	1	46	0.0	-62.55	368.80	5.35	-57.20
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(O)C1=CC=CN=C1	REAL300007204311	1	41	0.0	-79.08	351.79	3.79	-75.29
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)=NO1	REAL300007204334	1	42	0.0	-80.44	351.26	2.80	-77.64
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1	REAL300007204338	0	53	0.0	-65.73	413.00	6.59	-59.14
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1	REAL300007204338	1	53	0.0	-64.50	405.51	6.31	-58.19
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1	REAL300007204353	0	46	0.0	-58.21	350.10	3.82	-54.39
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C(O)C1=CC=CN=C1	REAL300007204353	1	46	0.0	-54.93	348.63	3.67	-51.26
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C=C1	REAL300007204361	0	54	0.0	-83.76	434.75	6.90	-76.86
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)CC1	REAL300007204374	0	47	0.0	-77.67	372.10	3.85	-73.82
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(O)C1=CC=CN=C1	REAL300007204379	0	50	0.0	-77.66	397.35	6.04	-71.62
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007204532	0	49	0.0	-58.91	369.58	4.98	-53.93
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007204532	1	49	0.0	-65.63	376.25	5.40	-60.23
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C(O)C1=CC=CN=C1	REAL300007204558	1	47	0.0	-58.34	364.08	0.82	-57.52
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007204742	0	49	0.0	-58.75	364.74	4.75	-54.00
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007204742	1	49	0.0	-56.57	365.16	5.38	-51.19
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C(C(F)(F)F)C1	REAL300007204743	0	43	0.0	-79.25	338.28	4.25	-75.00
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C(C(F)(F)F)C1	REAL300007204743	1	43	0.0	-74.14	346.57	3.92	-70.22
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)N1	REAL300007204767	1	44	0.0	-59.60	360.52	2.91	-56.69
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)=C1	REAL300007205165	0	49	0.0	-75.91	390.12	5.92	-69.99
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C=C1	REAL300007205172	0	50	0.0	-79.80	397.42	4.88	-74.92
O=C([O-])C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(O)C1=CC=CN=C1	REAL300007205262	0	56	0.0	-72.69	432.19	8.30	-64.39
CC1C[N@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C(O)C3=CC=CN=C3)C=C2)CCO1	REAL300007205264	1	54	0.0	-83.40	417.65	5.43	-77.97
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C(O)C3=CC=CN=C3)C=C2)CCO1	REAL300007205264	1	54	0.0	-84.20	418.03	6.01	-78.19
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007205292	0	43	0.0	-71.82	342.07	4.13	-67.69
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)CC1	REAL300007205296	0	49	0.0	-70.75	363.52	4.38	-66.37
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C(O)C3=CC=CN=C3)=CN12	REAL300007205300	0	41	0.0	-67.11	344.06	5.65	-61.46
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007205353	0	52	0.0	-56.36	385.48	6.26	-50.10
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007205353	1	52	0.0	-57.47	384.69	6.28	-51.19
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007205354	0	46	0.0	-65.86	354.33	4.03	-61.83
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007205354	1	46	0.0	-66.12	353.51	3.97	-62.15
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007205358	0	43	0.0	-59.56	330.63	4.28	-55.28
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C1	REAL300007205358	1	43	0.0	-66.92	334.07	3.20	-63.72
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)O1	REAL300007205360	1	43	0.0	-77.06	353.77	3.35	-73.71
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(O)C1=CC=CN=C1	REAL300007205368	1	45	0.0	-55.70	351.28	4.65	-51.05
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(O)C1=CC=CN=C1	REAL300007205368	1	45	0.0	-63.59	349.84	5.05	-58.54
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=N3)CC3(CCC3)C2)C1	REAL300007205489	0	56	0.0	-45.17	412.72	10.22	-34.95
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=N3)CC3(CCC3)C2)C1	REAL300007205489	1	56	0.0	-45.58	423.26	9.99	-35.59
O=C([O-])C1CCC[N@@H+](CC(=O)NC23CC(CO)(C2)OC32CCC2)C1	REAL300007205602	0	50	0.0	-51.66	368.76	3.63	-48.03
O=C([O-])C1CCC[N@H+](CC(=O)NC23CC(CO)(C2)OC32CCC2)C1	REAL300007205602	1	50	0.0	-56.02	372.86	3.26	-52.76
CC1OC2(CO)CC1(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300007205713	0	46	0.0	-53.86	351.52	2.06	-51.80
CC1OC2(CO)CC1(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300007205713	1	46	0.0	-51.72	341.90	1.58	-50.14
CC1(C)CCCCC1(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007205775	0	52	0.0	-45.93	351.99	8.75	-37.18
CC1(C)CCCCC1(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007205775	1	52	0.0	-46.65	353.15	8.78	-37.87
CCCCS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007205875	0	57	0.0	-57.63	432.28	5.96	-51.67
CCCCS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007205875	1	57	0.0	-58.77	438.92	6.01	-52.76
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300007205958	0	43	0.0	-50.59	337.98	8.33	-42.26
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300007205958	1	43	0.0	-50.96	332.53	8.37	-42.59
O=C([O-])C1CCC[N@@H+](CC(=O)NCC23CCC(CO)(CC2)OC3)C1	REAL300007206066	0	52	0.0	-50.76	378.96	4.44	-46.32
O=C([O-])C1CCC[N@H+](CC(=O)NCC23CCC(CO)(CC2)OC3)C1	REAL300007206066	1	52	0.0	-52.61	378.63	4.33	-48.28
O=C([O-])C1CCC[N@@H+](CC(=O)NCC23CCC(CO)(CO2)C3)C1	REAL300007206182	0	49	0.0	-48.95	363.27	2.93	-46.02
O=C([O-])C1CCC[N@H+](CC(=O)NCC23CCC(CO)(CO2)C3)C1	REAL300007206182	1	49	0.0	-49.68	370.24	2.96	-46.72
CC(C)C(F)(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007207566	0	52	0.0	-64.25	397.54	9.88	-54.37
CC(C)C(F)(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300007208336	0	49	0.0	-48.07	370.55	8.68	-39.39
CC(C)C(F)(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300007208336	1	49	0.0	-46.60	374.47	8.80	-37.80
CC(C)C(F)(CNC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300007209229	0	46	0.0	-59.36	346.18	7.56	-51.80
CC1=[NH+]C=C2CCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)CN12	REAL300007209255	1	44	0.0	-53.40	345.07	7.46	-45.94
CC(C)C(F)(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300007209256	0	52	0.0	-53.49	388.11	9.25	-44.24
CC1=NC(C[NH+]2CCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)CC2)=CS1	REAL300007209327	1	51	0.0	-60.71	401.25	7.56	-53.15
CC(C)C(F)(CNC(=O)C(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300007209328	1	47	0.0	-62.77	350.36	4.54	-58.23
CC(C)C(F)(CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300007209410	0	55	0.0	-65.51	426.54	9.33	-56.18
CC(C)C(F)(CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007209424	0	55	0.0	-70.64	427.33	11.65	-58.99
CC(C)C(F)(CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007209424	1	55	0.0	-70.24	427.34	11.66	-58.58
CC(C)C(F)(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007209425	0	55	0.0	-51.02	410.48	10.34	-40.68
CC(C)C(F)(CNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300007209510	0	51	0.0	-59.18	365.51	8.07	-51.11
CC(C)C(F)(CNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300007209513	0	51	0.0	-55.49	371.12	8.16	-47.33
CC(C)C(F)(CNC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300007209513	1	51	0.0	-56.20	375.45	8.28	-47.92
CC(C)C(F)(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007209538	1	49	0.0	-51.41	376.97	8.74	-42.67
CC(C)C(F)(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007209538	1	49	0.0	-50.32	376.68	8.75	-41.57
CC(C)C(F)(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300007209596	0	45	0.0	-69.58	365.89	7.32	-62.26
CC(C)C(F)(CNC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300007209601	0	55	0.0	-71.44	426.00	9.32	-62.12
CC(C)C(F)(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300007209626	0	52	0.0	-46.14	369.59	8.34	-37.80
CC(C)C(F)(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300007209626	1	52	0.0	-49.37	369.69	8.64	-40.73
CC(C)C(F)(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300007209627	0	53	0.0	-64.40	388.45	6.96	-57.44
CC(C)C(F)(CNC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300007209656	1	49	0.0	-63.65	370.97	6.16	-57.49
CC[N@H+](CC1=CC=C(C(=O)NCC(F)(C(=O)[O-])C(C)C)C=C1)C(C)C	REAL300007209658	0	54	0.0	-65.69	403.43	9.80	-55.89
CC[N@@H+](CC1=CC=C(C(=O)NCC(F)(C(=O)[O-])C(C)C)C=C1)C(C)C	REAL300007209658	1	54	0.0	-64.53	390.21	9.23	-55.30
CC(C)C(F)(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007209681	0	49	0.0	-58.14	379.82	9.07	-49.07
CC(C)C(F)(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007209681	1	49	0.0	-55.53	377.47	9.08	-46.45
CC(C)C(F)(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300007209682	0	50	0.0	-60.83	372.29	8.21	-52.62
CC(C)C(F)(CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300007209705	1	54	0.0	-62.76	410.45	7.99	-54.77
CC(C)C(F)(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300007209706	0	53	0.0	-57.35	374.05	6.58	-50.77
CC(C)C(F)(CNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300007209709	0	48	0.0	-49.86	371.69	8.70	-41.16
CC(C)C(F)(CNC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300007209709	1	48	0.0	-52.05	371.81	8.67	-43.38
CC(C)C(F)(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007209719	0	55	0.0	-61.10	416.34	10.62	-50.48
CC(C)C(F)(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007209719	1	55	0.0	-60.30	416.14	10.64	-49.66
CC(C)C(F)(CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300007209748	0	44	0.0	-66.50	346.40	6.60	-59.90
CCC[NH+](CCC)CCCC(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007209759	0	53	0.0	-60.79	394.82	8.62	-52.17
CC(C)C(F)(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300007209760	1	53	0.0	-48.32	400.57	6.52	-41.80
CC[N@H+](C)C(C(=O)NCC(F)(C(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300007209761	0	48	0.0	-52.43	364.07	8.64	-43.79
CC[N@@H+](C)C(C(=O)NCC(F)(C(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300007209761	1	48	0.0	-47.93	364.99	8.72	-39.21
CC[NH+](CC)C(C(=O)NCC(F)(C(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300007209766	0	51	0.0	-48.53	374.39	8.83	-39.70
CC(C)C(F)(CNC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300007209772	1	45	0.0	-49.92	368.49	8.71	-41.21
CC(C)C(F)(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300007209786	0	49	0.0	-68.88	378.81	9.26	-59.62
CC(C)C(F)(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300007209793	0	52	0.0	-66.47	392.43	9.90	-56.57
CCN1CCC([NH+]2CCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)CC2)CC1	REAL300007209799	0	60	0.0	-61.15	431.60	7.65	-53.50
CC(C)C(F)(CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300007209805	1	56	0.0	-72.17	429.72	9.07	-63.10
CC(C)C(F)(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007209815	1	53	0.0	-65.10	400.26	9.05	-56.05
CC(C)C(F)(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007209815	1	53	0.0	-64.30	400.10	9.06	-55.24
CC(C)C(F)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300007209829	1	52	0.0	-51.35	385.98	9.68	-41.67
CC(C)C(F)(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300007209829	1	52	0.0	-48.81	381.67	9.57	-39.24
CC1=C(C(=O)NCC(F)(C(=O)[O-])C(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300007209831	1	43	0.0	-73.02	350.90	6.54	-66.48
CC(C)C(F)(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300007209839	0	52	0.0	-69.56	396.14	9.99	-59.57
CC(C)C(F)(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300007209851	1	45	0.0	-70.54	356.12	6.65	-63.89
CC(C)C(F)(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300007209852	0	48	0.0	-74.11	377.38	9.03	-65.08
CC(C)C(F)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007209862	1	50	0.0	-46.64	379.40	8.45	-38.19
CC(C)C(F)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300007209862	1	50	0.0	-47.54	379.76	8.44	-39.10
CC(C)C(F)(CNC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300007209868	0	59	0.0	-59.19	429.72	11.12	-48.07
CC(C)C(F)(CNC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300007209868	1	59	0.0	-62.90	441.23	11.52	-51.38
CC(C)C(F)(CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007209875	0	58	0.0	-51.07	435.30	11.17	-39.90
CC(C)C(F)(CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007209918	0	48	0.0	-53.27	371.61	9.02	-44.25
CC(C)C(F)(CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007209918	1	48	0.0	-53.43	371.60	9.02	-44.41
COCCOCC[N@H+](C)CCC(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007209919	0	52	0.0	-57.15	405.17	5.32	-51.83
COCCOCC[N@@H+](C)CCC(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007209919	1	52	0.0	-57.08	400.89	5.19	-51.89
CC(C)C(F)(CNC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300007209922	0	46	0.0	-52.44	343.02	4.92	-47.52
CC(C)C(F)(CNC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300007209922	1	46	0.0	-54.37	337.35	4.85	-49.52
CC(C)C(F)(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007209930	0	57	0.0	-63.32	427.01	8.71	-54.61
CCCCCC[N@H+](C)CC(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007209933	0	50	0.0	-51.58	376.44	8.31	-43.27
CCCCCC[N@@H+](C)CC(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007209933	1	50	0.0	-50.75	376.20	8.33	-42.42
CC(C)C(F)(CNC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300007209958	0	43	0.0	-52.88	331.81	6.80	-46.08
CC(C)C(F)(CNC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300007209958	1	43	0.0	-54.83	337.76	6.93	-47.90
CC(C)[NH+]1CCN(CCC(=O)NCC(F)(C(=O)[O-])C(C)C)CC1	REAL300007209969	0	53	0.0	-59.01	387.83	5.76	-53.25
CC(C)N1CC[NH+](CCC(=O)NCC(F)(C(=O)[O-])C(C)C)CC1	REAL300007209969	1	53	0.0	-54.55	384.14	5.55	-49.00
CC(C)[NH+]1CCN(CCCC(=O)NCC(F)(C(=O)[O-])C(C)C)CC1	REAL300007209970	0	56	0.0	-59.42	409.33	6.56	-52.86
CC(C)N1CC[NH+](CCCC(=O)NCC(F)(C(=O)[O-])C(C)C)CC1	REAL300007209970	1	56	0.0	-60.64	409.90	6.46	-54.18
CC(C)C(F)(CNC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300007209971	0	46	0.0	-44.94	336.88	7.42	-37.52
CC(C)C(F)(CNC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300007209971	1	46	0.0	-49.76	329.17	7.14	-42.62
CC(C)C(F)(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300007209973	0	45	0.0	-72.30	361.36	6.20	-66.10
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(F)(C(=O)[O-])C(C)C)CC2)=C1	REAL300007209978	0	57	0.0	-60.09	431.24	8.70	-51.39
CC(C)C(F)(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007209980	0	54	0.0	-60.14	409.84	8.04	-52.10
CC(C)C(F)(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300007209984	0	51	0.0	-62.57	392.81	8.13	-54.44
CC(C)C(F)(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300007209984	1	51	0.0	-61.92	393.01	8.04	-53.88
CC(C)C(F)(CNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007209989	1	49	0.0	-49.50	367.54	9.13	-40.37
CC(C)C(F)(CNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007209989	1	49	0.0	-50.36	367.76	9.13	-41.23
CC(C)C(F)(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007210016	0	52	0.0	-63.26	402.07	9.93	-53.33
CC(C)C(F)(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007210016	1	52	0.0	-62.46	398.18	9.80	-52.66
CC(C)C(F)(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300007210028	0	45	0.0	-71.22	361.42	6.21	-65.01
CC(C)C(F)(CNC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300007210029	0	45	0.0	-57.78	356.50	6.15	-51.63
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007210034	1	46	0.0	-53.12	362.68	7.90	-45.22
CC(C)C(F)(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300007210048	0	52	0.0	-62.47	404.28	9.96	-52.51
CC(C)C(F)(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300007210048	1	52	0.0	-62.00	404.55	9.96	-52.04
CC(C)C(F)(CNC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300007210053	0	46	0.0	-50.89	347.74	5.56	-45.33
CC(C)C(F)(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300007210054	0	53	0.0	-60.03	407.57	7.45	-52.58
CC(C)C(F)(CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300007210102	1	52	0.0	-64.78	390.25	8.00	-56.78
CC(C)C(F)(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300007210103	0	52	0.0	-55.19	381.40	8.57	-46.62
CC(C)C(F)(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300007210103	1	52	0.0	-54.99	377.80	8.46	-46.53
CC(C)C(F)(CNC(=O)C12CCC[NH+](CCC1)C2)C(=O)[O-]	REAL300007210120	0	46	0.0	-63.19	334.12	6.90	-56.29
CC(C)C(F)(CNC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300007210124	0	46	0.0	-47.11	344.66	7.65	-39.46
CC(C)C(F)(CNC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300007210124	1	46	0.0	-44.86	340.32	7.52	-37.34
CC(C)C(F)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300007210126	0	57	0.0	-70.54	426.03	8.52	-62.02
CC(C)C(F)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300007210126	1	57	0.0	-69.21	430.65	8.79	-60.42
CC(C)C(F)(CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300007210133	0	49	0.0	-55.61	353.27	5.67	-49.94
CC(C)[N@@H+]1CCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)C(C2=CN(C)N=C2)C1	REAL300007210136	0	58	0.0	-53.78	422.34	8.30	-45.48
CC(C)[N@H+]1CCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)C(C2=CN(C)N=C2)C1	REAL300007210136	1	58	0.0	-61.24	423.90	8.05	-53.19
CC(C)C(F)(CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300007210137	0	52	0.0	-64.51	389.10	6.94	-57.57
CC(C)C(F)(CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300007210137	1	52	0.0	-59.01	384.65	6.83	-52.18
CC(C)C(F)(CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300007210142	0	54	0.0	-68.46	413.56	7.61	-60.85
CC(C)C(F)(CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300007210143	0	54	0.0	-68.32	412.93	7.43	-60.89
CC(C)C(F)(CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300007210143	1	54	0.0	-68.61	408.94	7.36	-61.25
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(F)(C(=O)[O-])C(C)C)C=C1	REAL300007210144	0	55	0.0	-69.24	416.06	9.03	-60.21
CC(C)[NH+]1CCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)CC1	REAL300007210151	0	48	0.0	-59.53	351.98	7.31	-52.22
CC(C)C(F)(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300007210253	0	56	0.0	-72.55	428.12	7.34	-65.21
CC(C)C(F)(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300007210257	0	45	0.0	-67.06	350.91	8.05	-59.01
CC(C)C(F)(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007210258	0	52	0.0	-55.70	393.62	9.77	-45.93
CC(C)C(F)(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007210258	1	52	0.0	-58.06	398.13	9.89	-48.17
CCC[N@@H+]1CCCCC1C(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007210319	0	48	0.0	-50.02	344.32	7.39	-42.63
CCC[N@H+]1CCCCC1C(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007210319	1	48	0.0	-52.35	348.62	7.52	-44.83
CC(C)C(F)(CNC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300007210321	0	45	0.0	-53.30	343.30	8.29	-45.01
CC[NH+]1CCN(CCC(=O)NCC(F)(C(=O)[O-])C(C)C)CC1	REAL300007210323	0	50	0.0	-60.90	374.48	5.21	-55.69
CCN1CC[NH+](CCC(=O)NCC(F)(C(=O)[O-])C(C)C)CC1	REAL300007210323	1	50	0.0	-54.73	371.07	5.23	-49.50
CC(C)C(C(=O)NCC(F)(C(=O)[O-])C(C)C)[NH+]1CCCCC1	REAL300007210326	0	51	0.0	-46.18	361.51	8.04	-38.14
CC(C)C(F)(CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300007210327	1	45	0.0	-50.75	347.40	8.06	-42.69
CC(C)C(F)(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007210331	0	50	0.0	-56.44	389.72	6.12	-50.32
CC(C)C(F)(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300007210331	1	50	0.0	-54.76	386.44	6.04	-48.72
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007210337	1	46	0.0	-51.78	362.48	7.86	-43.92
CC(C)C(F)(CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300007210338	0	48	0.0	-62.47	376.29	8.52	-53.95
CC(C)C(F)(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300007210342	0	49	0.0	-48.92	364.28	8.31	-40.61
CC(C)C(F)(CNC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300007210342	1	49	0.0	-47.96	358.40	7.96	-40.00
CC(C)C(F)(CNC(=O)C(C)[NH+]1CCCCCC1)C(=O)[O-]	REAL300007210369	0	48	0.0	-47.85	343.81	7.34	-40.51
CC(C)C(F)(CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300007210399	1	50	0.0	-73.90	385.42	8.50	-65.40
CC(C)C(F)(CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300007210399	1	50	0.0	-75.19	389.89	8.58	-66.61
CC[NH+](CC)CC1=CC=C(C(=O)NCC(F)(C(=O)[O-])C(C)C)O1	REAL300007210453	0	48	0.0	-60.40	372.34	7.75	-52.65
CC(C)C(F)(CNC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300007210454	0	48	0.0	-62.21	368.06	8.01	-54.20
CC1=CC=C(N2CCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)CC2)[NH+]=C1	REAL300007210455	1	51	0.0	-59.27	390.75	7.77	-51.50
CC(C)C(F)(CNC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300007210456	1	45	0.0	-54.74	353.40	8.28	-46.46
CC(C)C(F)(CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300007210456	1	45	0.0	-53.89	353.69	8.29	-45.60
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(F)(C(=O)[O-])C(C)C)C=C2)CC1	REAL300007210459	0	57	0.0	-69.10	418.88	8.41	-60.69
CC(C)C(F)(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300007210472	1	40	0.0	-70.72	336.34	6.14	-64.58
CC(C)C(F)(CNC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300007210499	1	41	0.0	-72.09	330.82	5.53	-66.56
CC(C)C(F)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300007210505	0	52	0.0	-60.66	402.97	9.81	-50.85
CC(C)C(F)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300007210505	1	52	0.0	-58.78	397.17	9.55	-49.23
CC(C)C(F)(CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300007210524	0	53	0.0	-70.94	419.52	9.17	-61.77
CC(C)C(F)(CNC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300007210540	0	46	0.0	-65.00	352.43	6.67	-58.33
CC(C)C(F)(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300007210544	0	49	0.0	-64.09	383.19	8.38	-55.71
CC(C)C(F)(CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300007210579	0	51	0.0	-51.27	390.96	7.90	-43.37
CC(C)C(F)(CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300007210579	1	51	0.0	-46.80	389.66	8.00	-38.80
CCC[N@@H+]1CCCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)C1	REAL300007210716	0	48	0.0	-57.47	360.80	7.72	-49.75
CCC[N@H+]1CCCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)C1	REAL300007210716	1	48	0.0	-54.79	356.22	7.60	-47.19
CC(C)C[N@@H+]1CCCC1C(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007210745	0	48	0.0	-47.26	351.66	7.21	-40.05
CC(C)C[N@H+]1CCCC1C(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007210745	1	48	0.0	-46.45	351.42	7.22	-39.23
CC(C)C(F)(CNC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300007210748	1	46	0.0	-51.21	346.50	3.75	-47.46
CC(C)C(F)(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300007210833	0	53	0.0	-51.30	405.94	10.18	-41.12
CC(C)C(F)(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300007210833	1	53	0.0	-52.62	406.86	10.15	-42.47
CC(C)[N@@H+]1CCCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)C1	REAL300007210953	0	48	0.0	-51.03	349.38	7.69	-43.34
CC(C)[N@H+]1CCCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)C1	REAL300007210953	1	48	0.0	-49.08	345.11	7.58	-41.50
CC(C)C(F)(CNC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300007210954	0	42	0.0	-53.54	334.12	6.20	-47.34
CC(C)C(F)(CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300007210954	1	42	0.0	-65.32	331.48	6.43	-58.89
CC(C)C(F)(CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300007211406	0	48	0.0	-71.08	377.38	9.03	-62.05
CC(C)C(F)(CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300007211412	0	49	0.0	-67.90	380.66	7.85	-60.05
CC(C)C(F)(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007211494	0	55	0.0	-60.71	412.18	10.52	-50.19
CC(C)C(F)(CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300007211496	1	53	0.0	-69.85	398.21	8.22	-61.63
CC(C)C(F)(CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300007211496	1	53	0.0	-69.94	398.22	8.22	-61.72
CC(C)C(F)(CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300007211532	0	48	0.0	-60.91	349.02	7.38	-53.53
CC(C)C[N@@H+]1CCCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)C1	REAL300007211589	0	51	0.0	-51.84	367.59	8.49	-43.35
CC(C)C[N@H+]1CCCC(C(=O)NCC(F)(C(=O)[O-])C(C)C)C1	REAL300007211589	1	51	0.0	-51.84	367.59	8.49	-43.35
CC(C)C(F)(CNC(=O)C1=CC=C(CN(C)C)O1)C(=O)[O-]	REAL300007211593	0	42	0.0	-63.93	335.97	6.28	-57.65
CC(C)C(F)(CNC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300007211593	1	42	0.0	-63.93	335.97	6.28	-57.65
CC(C)C(F)(CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300007211598	0	51	0.0	-66.42	359.08	7.36	-59.06
CC(C)C(F)(CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300007211598	1	51	0.0	-66.42	359.08	7.36	-59.06
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(O)(C3=CC=C(F)C(F)=C3)CC2)C1	REAL300007211747	0	51	0.0	-50.02	382.10	7.59	-42.43
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(O)(C3=CC=C(F)C(F)=C3)CC2)C1	REAL300007211747	1	51	0.0	-50.02	382.10	7.59	-42.43
CC(C)(C)C1(CO)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007211909	0	53	0.0	-42.01	365.49	6.21	-35.80
CC(C)(C)C1(CO)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007211909	1	53	0.0	-42.01	365.49	6.21	-35.80
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC(C3=CC=C(F)C=C3)=CS2)C1	REAL300007212027	1	46	0.0	-51.38	386.20	8.24	-43.14
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC(C3=CC=C(F)C=C3)=CS2)C1	REAL300007212027	1	46	0.0	-51.00	380.01	8.22	-42.78
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC(Cl)=CC=C2Cl)C2CC2)C1	REAL300007212137	0	47	0.0	-47.82	381.61	10.62	-37.20
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC(Cl)=CC=C2Cl)C2CC2)C1	REAL300007212137	1	47	0.0	-49.14	389.79	11.44	-37.70
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN([C@@H]3COC[C@H]3O)CC2)C1	REAL300007212248	0	51	0.0	-48.09	366.07	1.40	-46.69
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN([C@@H]3COC[C@H]3O)CC2)C1	REAL300007212248	1	51	0.0	-48.02	362.03	1.12	-46.90
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(CO)OC(C(F)(F)F)C2)C1	REAL300007212373	0	45	0.0	-51.42	351.40	3.87	-47.55
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(CO)OC(C(F)(F)F)C2)C1	REAL300007212373	1	45	0.0	-51.38	351.41	3.87	-47.51
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCC(F)(F)[C@H]2O)C1	REAL300007212464	0	41	0.0	-50.93	322.69	3.42	-47.51
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCC(F)(F)[C@H]2O)C1	REAL300007212464	1	41	0.0	-52.17	323.92	3.45	-48.72
C[C@H]1OCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)[C@@H]1C(=O)[O-]	REAL300007213557	0	51	0.0	-83.88	378.82	10.10	-73.78
CC1=[NH+]C=C2CCC(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])CN12	REAL300007214855	1	43	0.0	-69.53	326.89	7.66	-61.87
CC1=NC(C[NH+]2CCC(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])CC2)=CS1	REAL300007214907	1	50	0.0	-79.34	386.10	8.17	-71.17
C[C@H]1OCCN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)[C@@H]1C(=O)[O-]	REAL300007214972	0	54	0.0	-86.43	412.71	9.76	-76.67
C[C@H]1OCCN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)[C@@H]1C(=O)[O-]	REAL300007214978	0	54	0.0	-85.11	407.62	11.66	-73.45
C[C@H]1OCCN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)[C@@H]1C(=O)[O-]	REAL300007214978	1	54	0.0	-86.53	407.56	11.65	-74.88
C[C@H]1OCCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C(=O)[O-]	REAL300007215047	0	50	0.0	-64.26	316.04	7.57	-56.69
C[C@H]1OCCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C(=O)[O-]	REAL300007215049	0	50	0.0	-73.16	357.05	8.61	-64.55
C[C@H]1OCCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C(=O)[O-]	REAL300007215049	1	50	0.0	-73.30	357.13	8.62	-64.68
C[C@H]1OCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)[C@@H]1C(=O)[O-]	REAL300007215107	0	44	0.0	-85.78	350.83	7.53	-78.25
C[C@H]1OCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H]1C(=O)[O-]	REAL300007215126	0	52	0.0	-86.66	369.30	7.09	-79.57
C[C@H]1OCCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H]1C(=O)[O-]	REAL300007215150	1	48	0.0	-82.04	356.81	6.68	-75.36
CC[N@H+](CC1=CC=C(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300007215151	0	53	0.0	-82.99	385.45	10.13	-72.86
CC[N@@H+](CC1=CC=C(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300007215151	1	53	0.0	-86.37	380.45	9.55	-76.82
C[C@H]1OCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215168	0	48	0.0	-72.91	359.86	9.28	-63.63
C[C@H]1OCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215168	1	48	0.0	-71.42	359.63	9.24	-62.18
C[C@H]1OCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)[C@@H]1C(=O)[O-]	REAL300007215169	0	49	0.0	-83.96	361.69	8.50	-75.46
C[C@H]1OCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H]1C(=O)[O-]	REAL300007215192	0	52	0.0	-74.85	355.32	6.65	-68.20
CC(C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300007215195	0	47	0.0	-66.69	351.67	8.85	-57.84
CC(C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300007215195	1	47	0.0	-57.33	345.57	8.64	-48.69
C[C@H]1OCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215203	0	54	0.0	-77.73	399.51	10.92	-66.81
C[C@H]1OCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215203	1	54	0.0	-78.65	401.84	11.03	-67.62
C[C@H]1OCCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)[C@@H]1C(=O)[O-]	REAL300007215220	0	43	0.0	-87.92	326.93	6.49	-81.43
CCC[NH+](CCC)CCCC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300007215227	0	52	0.0	-75.49	381.26	9.35	-66.14
C[C@H]1OCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)[C@@H]1C(=O)[O-]	REAL300007215245	0	48	0.0	-92.18	366.40	9.66	-82.52
C[C@H]1OCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)[C@@H]1C(=O)[O-]	REAL300007215250	0	51	0.0	-81.90	372.47	9.92	-71.98
CCN1CCC([NH+]2CCC(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])CC2)CC1	REAL300007215256	0	59	0.0	-80.53	411.76	7.73	-72.80
CC1C[NH+](CC2=CC=C(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300007215263	1	55	0.0	-96.91	406.25	9.01	-87.90
C[C@H]1OCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)[C@@H]1C(=O)[O-]	REAL300007215272	1	52	0.0	-85.37	392.91	9.18	-76.19
C[C@H]1OCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)[C@@H]1C(=O)[O-]	REAL300007215272	1	52	0.0	-84.34	392.95	9.19	-75.15
CC1=C(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007215286	1	42	0.0	-89.46	340.48	7.04	-82.42
C[C@H]1OCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)[C@@H]1C(=O)[O-]	REAL300007215289	0	51	0.0	-92.28	381.93	10.34	-81.94
C[C@H]1OCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)[C@@H]1C(=O)[O-]	REAL300007215300	1	44	0.0	-81.43	339.32	7.35	-74.08
C[C@H]1OCCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)[C@@H]1C(=O)[O-]	REAL300007215301	0	47	0.0	-92.97	362.97	9.33	-83.64
C[C@H]1OCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)[C@@H]1C(=O)[O-]	REAL300007215305	1	49	0.0	-84.87	369.26	8.47	-76.40
C[C@H]1OCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)[C@@H]1C(=O)[O-]	REAL300007215305	1	49	0.0	-71.47	361.23	8.18	-63.29
CC(C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007215314	0	57	0.0	-65.83	414.26	11.27	-54.56
CC(C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[NH+]1CCSCC1	REAL300007215337	1	42	0.0	-63.10	314.72	6.75	-56.35
C[C@H]1OCCN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300007215344	0	47	0.0	-66.62	357.98	9.36	-57.26
C[C@H]1OCCN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300007215344	1	47	0.0	-66.50	357.98	9.37	-57.13
COCCOCC[N@H+](C)CCC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300007215345	0	51	0.0	-72.28	386.75	5.65	-66.63
COCCOCC[N@@H+](C)CCC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300007215345	1	51	0.0	-73.64	386.82	5.64	-68.00
C[C@H]1OCCN(C(=O)CC2(O)CCC[N@H+](C)C2)[C@@H]1C(=O)[O-]	REAL300007215348	0	45	0.0	-64.72	328.54	4.84	-59.88
C[C@H]1OCCN(C(=O)CC2(O)CCC[N@@H+](C)C2)[C@@H]1C(=O)[O-]	REAL300007215348	1	45	0.0	-63.79	319.54	4.71	-59.08
C[C@H]1OCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)[C@@H]1C(=O)[O-]	REAL300007215353	0	56	0.0	-80.06	413.24	9.28	-70.78
CCCCCC[N@H+](C)CC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300007215354	0	49	0.0	-65.67	362.57	8.68	-56.99
CCCCCC[N@@H+](C)CC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300007215354	1	49	0.0	-65.83	362.57	8.68	-57.15
C[C@H]1OCCN(C(=O)C[N@H+](C)C2CCSC2)[C@@H]1C(=O)[O-]	REAL300007215376	0	42	0.0	-66.56	317.96	7.12	-59.44
C[C@H]1OCCN(C(=O)C[N@@H+](C)C2CCSC2)[C@@H]1C(=O)[O-]	REAL300007215376	1	42	0.0	-69.01	318.26	7.20	-61.81
CC(C)[NH+]1CCN(CCC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300007215386	0	52	0.0	-78.33	373.98	6.20	-72.13
CC(C)N1CC[NH+](CCC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300007215386	1	52	0.0	-72.37	370.40	6.09	-66.28
CC(C)[NH+]1CCN(CCCC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300007215387	0	55	0.0	-78.97	391.84	6.89	-72.08
CC(C)N1CC[NH+](CCCC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300007215387	1	55	0.0	-76.29	395.19	7.10	-69.19
C[C@H]1OCCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)[C@@H]1C(=O)[O-]	REAL300007215389	0	44	0.0	-87.18	339.45	6.24	-80.94
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])CC2)=C1	REAL300007215392	0	56	0.0	-76.06	412.64	9.11	-66.95
C[C@H]1OCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)[C@@H]1C(=O)[O-]	REAL300007215394	0	53	0.0	-76.05	391.35	8.45	-67.60
C[C@H]1OCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215397	0	50	0.0	-68.26	364.72	8.16	-60.10
C[C@H]1OCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215397	1	50	0.0	-75.31	374.16	8.31	-67.00
CC(C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007215402	1	48	0.0	-64.03	353.36	9.17	-54.86
CC(C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007215402	1	48	0.0	-63.65	355.06	9.19	-54.46
C[C@H]1OCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215421	0	51	0.0	-80.60	383.59	10.19	-70.41
C[C@H]1OCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215421	1	51	0.0	-81.70	384.11	10.27	-71.43
C[C@H]1OCCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)[C@@H]1C(=O)[O-]	REAL300007215432	0	44	0.0	-98.66	340.37	6.90	-91.76
C[C@H]1OCCN(C(=O)C2=CC=NN2CC[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300007215433	0	44	0.0	-54.81	337.83	5.65	-49.16
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300007215434	1	45	0.0	-68.19	344.80	8.21	-59.98
C[C@H]1OCCN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)[C@@H]1C(=O)[O-]	REAL300007215437	1	45	0.0	-85.67	340.95	6.22	-79.45
C[C@H]1OCCN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)[C@@H]1C(=O)[O-]	REAL300007215437	1	45	0.0	-86.26	340.64	6.25	-80.01
C[C@H]1OCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215445	0	51	0.0	-71.00	378.51	10.33	-60.67
C[C@H]1OCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215445	1	51	0.0	-63.41	376.58	10.24	-53.17
CC(C[NH+]1CCOCC1)C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300007215449	1	45	0.0	-74.15	329.46	5.55	-68.60
C[C@H]1OCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)[C@@H]1C(=O)[O-]	REAL300007215450	0	52	0.0	-76.17	389.11	7.87	-68.30
C[C@H]1OCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)[C@@H]1C(=O)[O-]	REAL300007215487	0	51	0.0	-71.52	361.69	8.78	-62.74
C[C@H]1OCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)[C@@H]1C(=O)[O-]	REAL300007215487	1	51	0.0	-70.86	360.28	8.72	-62.14
C[C@H]1OCCN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)[C@@H]1C(=O)[O-]	REAL300007215512	0	53	0.0	-81.41	389.53	7.48	-73.93
C[C@H]1OCCN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)[C@@H]1C(=O)[O-]	REAL300007215513	0	53	0.0	-92.55	397.61	7.91	-84.64
C[C@H]1OCCN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)[C@@H]1C(=O)[O-]	REAL300007215513	1	53	0.0	-95.03	388.99	7.37	-87.66
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=C1	REAL300007215514	0	54	0.0	-93.07	393.27	8.98	-84.09
C[C@H]1OCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)[C@@H]1C(=O)[O-]	REAL300007215592	0	55	0.0	-98.48	404.14	7.23	-91.25
C[C@H]1OCCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)[C@@H]1C(=O)[O-]	REAL300007215596	0	44	0.0	-83.11	330.90	8.06	-75.05
C[C@H]1OCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215597	0	51	0.0	-64.25	369.65	9.92	-54.33
C[C@H]1OCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300007215597	1	51	0.0	-63.83	369.37	10.02	-53.81
CC[NH+]1CCN(CCC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300007215638	0	49	0.0	-81.32	356.08	5.53	-75.79
CCN1CC[NH+](CCC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300007215638	1	49	0.0	-72.57	357.16	5.77	-66.80
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300007215644	1	45	0.0	-66.69	344.17	8.18	-58.51
C[C@H]1OCCN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)[C@@H]1C(=O)[O-]	REAL300007215690	1	49	0.0	-93.56	375.52	8.89	-84.67
C[C@H]1OCCN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)[C@@H]1C(=O)[O-]	REAL300007215690	1	49	0.0	-92.72	375.53	8.89	-83.83
CC[NH+](CC)CC1=CC=C(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])O1	REAL300007215730	0	47	0.0	-85.92	350.60	7.81	-78.11
CC1=CC=C(N2CCC(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300007215731	1	50	0.0	-80.57	369.84	7.89	-72.68
C[C@H]1OCCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300007215732	1	44	0.0	-68.59	335.55	8.53	-60.06
C[C@H]1OCCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300007215732	1	44	0.0	-68.40	335.50	8.53	-59.87
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])C=C2)CC1	REAL300007215735	0	56	0.0	-91.46	408.56	8.86	-82.60
C[C@H]1OCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)[C@@H]1C(=O)[O-]	REAL300007215744	1	39	0.0	-83.90	314.34	6.16	-77.74
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300007215771	0	51	0.0	-82.80	377.84	9.74	-73.06
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300007215771	1	51	0.0	-75.53	383.38	10.01	-65.52
C[C@H]1OCCN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)[C@@H]1C(=O)[O-]	REAL300007215788	0	52	0.0	-91.64	399.28	9.32	-82.32
C[C@H]1OCCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C(=O)[O-]	REAL300007215799	0	45	0.0	-86.93	338.79	6.74	-80.19
C[C@H]1OCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)[C@@H]1C(=O)[O-]	REAL300007215803	0	48	0.0	-88.76	360.83	8.80	-79.96
C[C@H]1OCCN(C(=O)C[NH+]2CCC(CO)CC2)[C@@H]1C(=O)[O-]	REAL300007215949	1	45	0.0	-69.07	331.98	4.10	-64.97
C[C@H]1OCCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007216104	0	41	0.0	-49.65	301.63	5.21	-44.44
C[C@H]1OCCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007216104	1	41	0.0	-84.88	318.74	6.48	-78.40
C[C@H]1OCCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)[C@@H]1C(=O)[O-]	REAL300007216445	0	47	0.0	-85.49	353.40	8.90	-76.59
C[C@H]1OCCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)[C@@H]1C(=O)[O-]	REAL300007216450	0	48	0.0	-94.91	362.80	7.87	-87.04
C[C@H]1OCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)[C@@H]1C(=O)[O-]	REAL300007216522	0	54	0.0	-78.38	398.25	10.88	-67.50
CC1C[N@H+](CC2=CC=C(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])C=C2)CCO1	REAL300007216524	1	52	0.0	-94.96	394.60	8.70	-86.26
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])C=C2)CCO1	REAL300007216524	1	52	0.0	-94.98	394.51	8.66	-86.32
CC1=[NH+]C=C2C=CC(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])=CN21	REAL300007216547	0	39	0.0	-76.10	306.35	8.07	-68.03
CC(C)C[N@@H+]1CCCC(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300007216584	0	50	0.0	-60.80	350.37	8.76	-52.04
CC(C)C[N@H+]1CCCC(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300007216584	1	50	0.0	-71.17	357.05	8.52	-62.65
CC1=CC=C(F)C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1F	REAL300007216665	0	50	0.0	-48.03	378.80	11.60	-36.43
CC1=CC=C(F)C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1F	REAL300007216665	1	50	0.0	-43.69	377.57	11.14	-32.55
CC1(C)CC2=CC=CC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2O1	REAL300007216782	0	51	0.0	-48.36	387.77	8.61	-39.75
CC1(C)CC2=CC=CC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2O1	REAL300007216782	1	51	0.0	-47.37	393.93	8.63	-38.74
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(O)CC3CCC(C3)C2)C1	REAL300007216951	0	51	0.0	-44.37	346.89	5.27	-39.10
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(O)CC3CCC(C3)C2)C1	REAL300007216951	1	51	0.0	-50.95	358.45	6.54	-44.41
CC1=CC=CC=C1CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007217064	0	49	0.0	-48.22	368.86	9.43	-38.79
CC1=CC=CC=C1CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007217064	1	49	0.0	-46.32	366.96	8.98	-37.34
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CO2)C2=CC=CC=C2)C1	REAL300007217171	0	47	0.0	-49.48	368.72	9.39	-40.09
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CO2)C2=CC=CC=C2)C1	REAL300007217171	1	47	0.0	-47.03	367.86	8.93	-38.10
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CCOCC2)C2CCC2)C1	REAL300007217275	0	54	0.0	-49.13	376.34	9.15	-39.98
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CCOCC2)C2CCC2)C1	REAL300007217275	1	54	0.0	-44.25	374.73	8.73	-35.52
CC(C)CC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300007217381	0	48	0.0	-47.19	368.86	7.64	-39.55
CC(C)CC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300007217381	1	48	0.0	-50.11	375.59	7.68	-42.43
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C2)=C1	REAL300007218463	0	57	0.0	-81.85	439.72	12.73	-69.12
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C2)=C1	REAL300007219035	0	54	0.0	-73.83	416.78	11.67	-62.16
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C2)=C1	REAL300007219035	1	54	0.0	-73.85	422.83	12.19	-61.66
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)=C1	REAL300007219892	0	51	0.0	-75.90	388.33	10.43	-65.47
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC[N@@H+]3C3CC3)C2)=C1	REAL300007219918	0	48	0.0	-73.66	368.31	9.52	-64.14
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC[N@H+]3C3CC3)C2)=C1	REAL300007219918	1	48	0.0	-71.06	371.38	9.91	-61.15
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3C[C@H](C4=CC=CC(C(=O)[O-])=C4)C3)CN21	REAL300007219924	1	49	0.0	-70.78	386.53	10.29	-60.49
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C2)=C1	REAL300007219925	0	57	0.0	-74.72	443.26	12.74	-61.98
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220004	0	47	0.0	-74.27	351.56	8.97	-65.30
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220004	1	47	0.0	-74.23	351.62	8.97	-65.26
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CC[N@H+](CC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C=C1)C(C)C	REAL300007220335	0	59	0.0	-79.04	445.83	12.66	-66.38
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C=C1)C(C)C	REAL300007220335	1	59	0.0	-78.59	436.52	12.23	-66.36
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C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220338	1	44	0.0	-73.11	343.92	8.63	-64.48
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300007220347	0	44	0.0	-75.24	345.74	8.22	-67.02
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CCC(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[NH+](CC)CC	REAL300007220422	0	52	0.0	-70.44	381.57	9.59	-60.85
CC(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300007220424	0	53	0.0	-75.86	413.96	11.55	-64.31
CC(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007220424	1	53	0.0	-75.25	413.80	11.56	-63.69
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CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220463	0	58	0.0	-77.24	441.49	11.76	-65.48
CC[N@H+](C)C(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)C1=CC=CC=C1	REAL300007220464	0	53	0.0	-73.24	411.33	11.69	-61.55
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C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220516	0	49	0.0	-78.57	384.31	9.69	-68.88
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C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C=C1	REAL300007220563	0	53	0.0	-83.62	419.56	11.89	-71.73
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220574	1	46	0.0	-69.04	368.21	8.63	-60.41
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CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220585	0	46	0.0	-76.09	358.18	8.96	-67.13
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220585	1	46	0.0	-76.07	358.16	8.96	-67.11
C[N@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)C1CCC1	REAL300007220608	0	47	0.0	-74.02	365.04	9.53	-64.49
C[N@@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)C1CCC1	REAL300007220608	1	47	0.0	-74.03	365.14	9.53	-64.50
CC(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[NH+]1CCSCC1	REAL300007220633	1	48	0.0	-76.28	374.27	9.39	-66.89
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C[N@@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)CC(C)(C)C	REAL300007220639	1	52	0.0	-75.31	389.04	10.13	-65.18
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CC[C@@H](C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[NH+](C)C	REAL300007220646	0	46	0.0	-73.14	349.15	8.57	-64.57
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007220648	0	51	0.0	-75.73	386.40	7.99	-67.74
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CC(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007220738	1	54	0.0	-76.11	413.95	12.12	-63.99
CCC(CC)C(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[NH+]1CCOCC1	REAL300007220756	1	60	0.0	-72.08	431.39	10.23	-61.85
CCCC(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[NH+](C)C	REAL300007220757	0	49	0.0	-74.68	373.03	9.46	-65.22
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O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C2)=CC=C1	REAL300007220758	1	57	0.0	-81.13	444.47	12.77	-68.36
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)=N1	REAL300007220773	0	50	0.0	-83.77	403.59	9.07	-74.70
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220774	0	50	0.0	-76.05	399.19	9.02	-67.03
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC[N@@H+]1C	REAL300007220778	0	47	0.0	-78.01	355.53	8.53	-69.48
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC[N@H+]1C	REAL300007220778	1	47	0.0	-77.81	361.99	8.84	-68.97
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220780	1	51	0.0	-71.07	404.87	10.75	-60.32
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC[N@@H+]1C	REAL300007220783	0	50	0.0	-77.30	375.38	9.26	-68.04
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC[N@H+]1C	REAL300007220783	1	50	0.0	-76.01	380.87	9.60	-66.41
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220786	1	46	0.0	-73.48	365.52	9.32	-64.16
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220786	1	46	0.0	-72.98	371.45	9.83	-63.15
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)O1	REAL300007220792	1	48	0.0	-83.33	370.74	8.71	-74.62
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)O1	REAL300007220792	1	48	0.0	-76.95	370.38	8.56	-68.39
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C2)=C1	REAL300007220798	1	53	0.0	-71.12	419.53	10.58	-60.54
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C2)=C1	REAL300007220798	1	53	0.0	-72.38	412.51	9.84	-62.54
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)=CC=C1	REAL300007220801	0	44	0.0	-75.11	343.07	8.66	-66.45
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220803	1	42	0.0	-72.88	348.31	9.15	-63.73
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220805	0	51	0.0	-77.83	390.22	8.28	-69.55
CC1CC[NH+](CC(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300007220822	0	50	0.0	-76.01	381.89	10.04	-65.97
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007220833	1	48	0.0	-77.96	366.97	8.47	-69.49
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007220833	1	48	0.0	-77.81	367.00	8.48	-69.33
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300007220870	1	57	0.0	-84.06	441.16	11.22	-72.84
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CC[N@@H+](C4CCCCC4)C3)C2)=C1	REAL300007220871	0	57	0.0	-75.35	424.39	11.48	-63.87
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CC[N@H+](C4CCCCC4)C3)C2)=C1	REAL300007220871	1	57	0.0	-76.62	424.18	11.41	-65.21
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220877	0	50	0.0	-77.77	382.54	9.90	-67.87
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220877	1	50	0.0	-77.96	382.57	9.91	-68.05
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)=C1	REAL300007220890	0	51	0.0	-77.07	376.32	9.75	-67.32
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220892	0	48	0.0	-75.66	363.05	6.16	-69.50
C[N@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220892	1	48	0.0	-77.04	366.69	5.84	-71.20
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CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220900	0	54	0.0	-76.43	402.50	8.80	-67.63
CN1C=C(C2C[N@H+](C)CCC2C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C=N1	REAL300007220905	0	57	0.0	-81.63	426.83	9.69	-71.94
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C=N1	REAL300007220905	1	57	0.0	-83.90	442.89	10.38	-73.52
CC[NH+](CC)CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007220917	0	46	0.0	-74.39	350.49	8.63	-65.76
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300007220919	0	53	0.0	-75.95	397.93	10.40	-65.55
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)=C1	REAL300007220999	0	45	0.0	-77.42	350.42	8.07	-69.35
CCC(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[NH+](C)C	REAL300007221002	0	46	0.0	-73.17	349.56	8.54	-64.63
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C34CC[N@H+](C3)CCC4)C2)=C1	REAL300007221010	0	48	0.0	-77.10	360.77	8.79	-68.31
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C34CC[N@@H+](C3)CCC4)C2)=C1	REAL300007221010	1	48	0.0	-80.16	359.78	8.88	-71.28
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221057	0	50	0.0	-71.82	375.66	9.41	-62.41
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)=C1	REAL300007221058	0	50	0.0	-79.97	397.08	11.04	-68.93
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C2)=C1	REAL300007221059	0	57	0.0	-74.47	433.80	12.94	-61.53
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C2)=C1	REAL300007221059	1	57	0.0	-77.07	440.01	12.75	-64.32
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CCC1	REAL300007221097	0	47	0.0	-72.05	352.35	9.18	-62.87
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300007221127	0	49	0.0	-80.00	388.76	10.42	-69.58
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221129	0	53	0.0	-73.08	390.75	10.37	-62.71
CCC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221129	1	53	0.0	-71.48	400.19	10.55	-60.93
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221130	0	50	0.0	-70.98	389.96	11.34	-59.64
CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300007221132	0	55	0.0	-76.92	417.03	8.17	-68.75
CCN1CC[NH+](CCC(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300007221132	1	55	0.0	-77.83	416.43	8.07	-69.76
CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221133	0	46	0.0	-73.59	353.41	8.74	-64.85
CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221133	1	46	0.0	-73.79	353.34	8.74	-65.05
CC(C)C(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[NH+]1CCCCC1	REAL300007221134	0	56	0.0	-70.68	407.89	10.98	-59.70
C[NH+](C)C(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)C1=CC=CC=C1	REAL300007221135	1	50	0.0	-73.43	393.62	11.05	-62.38
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C2)=C1	REAL300007221139	0	55	0.0	-76.66	432.72	8.98	-67.68
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C2)=C1	REAL300007221139	1	55	0.0	-76.79	432.22	9.02	-67.77
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221144	1	51	0.0	-70.80	404.34	10.70	-60.10
C[NH+](C)CC1=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)OC2=CC=CC=C21	REAL300007221146	0	53	0.0	-76.39	424.24	11.40	-64.99
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC[N@@H+]3C3CCCC3)C2)=C1	REAL300007221152	0	54	0.0	-73.49	391.43	10.67	-62.82
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC[N@H+]3C3CCCC3)C2)=C1	REAL300007221152	1	54	0.0	-73.34	392.61	10.71	-62.63
CC[N@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)C1CC1	REAL300007221154	0	47	0.0	-72.56	368.10	9.59	-62.97
CC[N@@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)C1CC1	REAL300007221154	1	47	0.0	-73.22	364.96	9.56	-63.66
CC(C)C(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[NH+]1CC(C)OC(C)C1	REAL300007221182	1	60	0.0	-72.56	441.48	10.73	-61.83
CC(C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[NH+]1CCCCCC1	REAL300007221183	0	53	0.0	-71.77	385.26	10.14	-61.63
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221187	0	44	0.0	-72.96	344.96	8.57	-64.39
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221187	1	44	0.0	-75.19	338.90	8.10	-67.09
CC(C)(C)[NH2+]CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221272	0	46	0.0	-75.29	357.95	7.27	-68.02
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)O1	REAL300007221274	0	53	0.0	-77.26	419.26	10.72	-66.54
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)=CC=C1	REAL300007221275	0	53	0.0	-77.16	409.86	10.86	-66.30
CC1=CC=C(N2CCC(C(=O)N[C@H]3C[C@H](C4=CC=CC(C(=O)[O-])=C4)C3)CC2)[NH+]=C1	REAL300007221277	1	56	0.0	-73.75	432.70	10.47	-63.28
C[N@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)CC1=CC=CC=C1	REAL300007221278	1	50	0.0	-79.79	395.58	11.14	-68.65
C[N@@H+](CC(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)CC1=CC=CC=C1	REAL300007221278	1	50	0.0	-79.80	395.64	11.14	-68.66
CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1)[NH+](C)C	REAL300007221289	0	49	0.0	-73.66	365.24	10.04	-63.62
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)=C1	REAL300007221307	1	45	0.0	-84.24	378.21	9.00	-75.24
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221339	0	57	0.0	-79.15	440.98	12.64	-66.51
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221339	1	57	0.0	-79.16	440.70	12.62	-66.54
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221353	0	50	0.0	-72.43	367.85	9.72	-62.71
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221353	1	50	0.0	-71.17	377.85	9.68	-61.49
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300007221375	0	51	0.0	-82.13	398.94	9.63	-72.50
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C2)=C1	REAL300007221380	0	54	0.0	-79.71	425.13	11.24	-68.47
CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007221570	0	53	0.0	-75.57	402.66	10.58	-64.99
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007221570	1	53	0.0	-71.40	396.41	10.78	-60.62
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221601	0	53	0.0	-71.71	403.27	10.64	-61.07
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007221601	1	53	0.0	-72.49	403.56	10.76	-61.73
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)C[NH+]3CCC(CO)CC3)C2)=CC=C1	REAL300007221602	0	51	0.0	-77.42	392.78	6.73	-70.69
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007221830	0	53	0.0	-73.68	397.80	10.34	-63.34
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007221830	1	53	0.0	-69.89	391.67	10.55	-59.34
C[N@@H+]1CC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C(C(F)(F)F)C1	REAL300007221831	0	47	0.0	-84.66	371.99	9.47	-75.19
C[N@H+]1CC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C(C(F)(F)F)C1	REAL300007221831	1	47	0.0	-82.56	382.83	9.32	-73.24
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)N1	REAL300007221856	1	48	0.0	-71.48	389.23	8.84	-62.64
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)=C1	REAL300007222340	0	53	0.0	-81.85	419.55	11.88	-69.97
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C=C1	REAL300007222347	0	54	0.0	-81.58	426.83	10.83	-70.75
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007222487	0	47	0.0	-77.49	368.48	9.27	-68.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300007222491	0	53	0.0	-74.93	391.22	10.23	-64.70
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3C[C@H](C4=CC=CC(C(=O)[O-])=C4)C3)=CN21	REAL300007222495	0	45	0.0	-73.37	370.51	10.84	-62.53
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007222557	0	56	0.0	-74.80	420.16	11.27	-63.53
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007222557	1	56	0.0	-71.77	411.04	11.44	-60.33
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007222558	0	50	0.0	-74.90	381.15	9.84	-65.06
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007222558	1	50	0.0	-74.83	381.15	9.84	-64.99
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007222563	0	47	0.0	-71.81	357.24	9.39	-62.42
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007222563	1	47	0.0	-71.80	357.22	9.38	-62.42
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)O1	REAL300007222565	1	47	0.0	-80.05	383.44	9.38	-70.67
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007222571	0	56	0.0	-79.18	401.28	10.22	-68.96
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C1	REAL300007222571	1	56	0.0	-79.21	401.29	10.23	-68.98
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C34CC(C3)C[N@H+]4C3CC3)C2)=C1	REAL300007222574	1	49	0.0	-73.25	375.55	10.74	-62.51
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(CC3=CC=CC=C3)C=C2)C1	REAL300007222656	1	53	0.0	-48.14	413.29	11.86	-36.28
CC1=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N=C(C2=CC=CC=C2)O1	REAL300007222787	1	49	0.0	-52.12	394.52	6.64	-45.48
CC1=CC2=CC=CC=C2C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300007222911	1	45	0.0	-54.12	351.92	9.97	-44.15
O=C([O-])C1CCC[N@H+](CC(=O)NCCNS(=O)(=O)C(F)F)C1	REAL300007223032	0	41	0.0	-58.70	344.92	0.81	-57.89
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNS(=O)(=O)C(F)F)C1	REAL300007223032	1	41	0.0	-57.67	344.28	0.79	-56.88
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OC3=CC=CC=N3)CC2)C1	REAL300007223208	0	50	0.0	-50.25	380.98	7.68	-42.57
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OC3=CC=CC=N3)CC2)C1	REAL300007223208	1	50	0.0	-49.50	380.59	7.66	-41.84
O=C([O-])CC1CCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300007224573	0	53	0.0	-71.44	390.43	11.40	-60.04
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300007225354	0	50	0.0	-67.86	372.09	10.80	-57.06
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300007225354	1	50	0.0	-66.34	366.72	10.40	-55.94
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300007226150	1	50	0.0	-70.16	383.46	10.90	-59.26
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300007226150	1	50	0.0	-69.98	386.72	11.29	-58.69
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(CC(=O)[O-])C3)CN12	REAL300007226238	1	45	0.0	-65.98	339.43	8.93	-57.05
O=C([O-])CC1CCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300007226239	0	53	0.0	-66.19	387.59	11.07	-55.12
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(CC(=O)[O-])C3)CC2)=CS1	REAL300007226304	1	52	0.0	-70.08	397.75	9.13	-60.95
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300007226379	0	56	0.0	-85.24	424.59	11.10	-74.14
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=C1	REAL300007226393	0	56	0.0	-83.39	425.76	13.09	-70.30
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=C1	REAL300007226393	1	56	0.0	-84.64	425.71	13.09	-71.55
CC1(C(=O)N2CCCC(CC(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007226394	0	56	0.0	-64.76	394.55	11.34	-53.42
O=C([O-])CC1CCCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007226437	0	53	0.0	-67.56	397.19	11.00	-56.56
O=C([O-])CC1CCCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007226437	1	53	0.0	-72.55	392.90	10.86	-61.69
C[NH+](C)CC1(C(=O)N2CCCC(CC(=O)[O-])C2)CCCCC1	REAL300007226477	0	52	0.0	-78.21	345.59	9.72	-68.49
C[N@H+](CCC(=O)N1CCCC(CC(=O)[O-])C1)C1CCCCC1	REAL300007226480	0	52	0.0	-73.61	368.80	9.95	-63.66
C[N@@H+](CCC(=O)N1CCCC(CC(=O)[O-])C1)C1CCCCC1	REAL300007226480	1	52	0.0	-73.17	368.80	9.95	-63.22
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300007226504	1	53	0.0	-67.91	394.08	11.53	-56.38
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300007226504	1	53	0.0	-67.93	393.97	11.52	-56.41
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300007226505	1	50	0.0	-71.09	373.14	10.45	-60.64
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300007226505	1	50	0.0	-70.85	376.40	10.83	-60.02
O=C([O-])CC1CCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300007226560	0	46	0.0	-83.34	360.12	8.62	-74.72
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300007226565	0	56	0.0	-83.36	426.79	10.86	-72.50
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300007226591	0	53	0.0	-63.32	366.60	10.06	-53.26
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300007226591	1	53	0.0	-62.15	365.31	10.02	-52.13
O=C([O-])CC1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300007226592	0	54	0.0	-67.10	372.08	8.21	-58.89
O=C([O-])CC1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300007226620	1	50	0.0	-76.74	368.63	7.94	-68.80
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=C1)C(C)C	REAL300007226621	0	55	0.0	-85.42	393.64	10.94	-74.48
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=C1)C(C)C	REAL300007226621	1	55	0.0	-88.38	388.57	10.71	-77.67
O=C([O-])CC1CCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007226645	0	50	0.0	-73.18	371.50	10.65	-62.53
O=C([O-])CC1CCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007226645	1	50	0.0	-73.68	371.30	10.57	-63.11
O=C([O-])CC1CCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300007226646	0	51	0.0	-74.55	369.47	9.85	-64.70
C[NH+]1CCN(C(C(=O)N2CCCC(CC(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300007226668	1	55	0.0	-69.37	402.16	9.27	-60.10
O=C([O-])CC1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300007226669	0	54	0.0	-73.84	363.30	8.02	-65.82
CC(C(=O)N1CCCC(CC(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300007226672	0	49	0.0	-66.71	363.69	10.24	-56.47
CC(C(=O)N1CCCC(CC(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007226672	1	49	0.0	-70.07	363.69	10.25	-59.82
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300007226682	0	56	0.0	-78.42	413.85	12.27	-66.15
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300007226682	1	56	0.0	-67.25	412.52	12.21	-55.04
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=N1	REAL300007226713	0	45	0.0	-86.89	344.15	8.01	-78.88
CCC[NH+](CCC)CCCC(=O)N1CCCC(CC(=O)[O-])C1	REAL300007226725	0	54	0.0	-72.96	392.92	10.57	-62.39
O=C([O-])CC1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300007226726	1	54	0.0	-67.37	394.38	8.09	-59.28
CC[N@H+](C)C(C(=O)N1CCCC(CC(=O)[O-])C1)C1=CC=CC=C1	REAL300007226727	0	49	0.0	-61.12	358.34	10.20	-50.92
CC[N@@H+](C)C(C(=O)N1CCCC(CC(=O)[O-])C1)C1=CC=CC=C1	REAL300007226727	1	49	0.0	-61.60	356.26	10.14	-51.46
CC[NH+](CC)C(C(=O)N1CCCC(CC(=O)[O-])C1)C1=CC=CC=C1	REAL300007226732	0	52	0.0	-62.50	368.34	10.48	-52.02
C[NH+](C)C(C(=O)N1CCCC(CC(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300007226738	1	46	0.0	-71.33	358.33	10.07	-61.26
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300007226752	0	50	0.0	-88.91	373.23	10.62	-78.29
O=C([O-])CC1CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300007226759	0	53	0.0	-78.15	390.62	11.35	-66.80
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(CC(=O)[O-])C3)CC2)CC1	REAL300007226765	0	61	0.0	-69.26	420.53	8.92	-60.34
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CC(C)O1	REAL300007226772	1	57	0.0	-92.07	423.34	10.36	-81.71
O=C([O-])CC1CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007226781	1	54	0.0	-81.57	404.65	10.87	-70.70
O=C([O-])CC1CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007226781	1	54	0.0	-83.45	397.95	10.82	-72.63
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300007226795	0	53	0.0	-67.19	386.73	11.39	-55.80
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300007226795	1	53	0.0	-65.61	376.37	10.97	-54.64
CC1=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300007226797	1	44	0.0	-84.28	346.11	7.86	-76.42
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300007226805	0	53	0.0	-90.55	389.99	11.33	-79.22
O=C([O-])CC1CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300007226817	1	46	0.0	-82.49	352.00	8.77	-73.72
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300007226818	0	49	0.0	-93.07	370.92	10.31	-82.76
O=C([O-])CC1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007226826	1	51	0.0	-78.80	372.95	9.93	-68.87
O=C([O-])CC1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007226826	1	51	0.0	-78.81	373.05	9.93	-68.88
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007226832	0	60	0.0	-66.73	436.28	12.25	-54.48
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007226832	1	60	0.0	-63.77	429.40	11.62	-52.15
CC(C(=O)N1CCCC(CC(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007226840	0	59	0.0	-71.17	420.27	12.47	-58.70
CC(C(=O)N1CCCC(CC(=O)[O-])C1)[NH+]1CCSCC1	REAL300007226870	1	44	0.0	-68.55	326.81	8.25	-60.30
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(CC(=O)[O-])C1	REAL300007226877	0	49	0.0	-72.93	369.44	10.73	-62.20
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(CC(=O)[O-])C1	REAL300007226877	1	49	0.0	-72.89	369.47	10.74	-62.15
COCCOCC[N@H+](C)CCC(=O)N1CCCC(CC(=O)[O-])C1	REAL300007226878	0	53	0.0	-73.31	398.52	6.96	-66.35
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(CC(=O)[O-])C1	REAL300007226878	1	53	0.0	-73.73	398.56	6.97	-66.76
O=C([O-])CC1CCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300007226888	0	58	0.0	-78.14	424.67	10.49	-67.65
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300007226889	1	52	0.0	-68.54	371.35	9.16	-59.38
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300007226889	1	52	0.0	-70.81	382.48	9.67	-61.14
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300007226890	1	52	0.0	-67.89	382.32	9.59	-58.30
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300007226890	1	52	0.0	-72.32	381.28	9.60	-62.72
C[N@H+](CC(=O)N1CCCC(CC(=O)[O-])C1)C1CCSC1	REAL300007226914	0	44	0.0	-73.56	329.68	8.54	-65.02
C[N@@H+](CC(=O)N1CCCC(CC(=O)[O-])C1)C1CCSC1	REAL300007226914	1	44	0.0	-74.19	329.70	8.53	-65.66
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300007226925	0	54	0.0	-77.65	385.82	7.54	-70.11
CC(C)N1CC[NH+](CCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300007226925	1	54	0.0	-73.27	382.21	7.33	-65.94
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300007226926	0	57	0.0	-71.49	407.24	8.32	-63.17
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300007226926	1	57	0.0	-73.92	404.04	8.16	-65.76
C[NH+](C)CCN1C=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=N1	REAL300007226928	0	46	0.0	-85.64	351.85	7.47	-78.17
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(CC(=O)[O-])C3)CC2)=C1	REAL300007226933	0	58	0.0	-77.37	424.06	10.32	-67.05
O=C([O-])CC1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300007226935	0	55	0.0	-77.51	403.17	9.70	-67.81
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300007226939	0	52	0.0	-68.27	385.02	9.59	-58.68
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300007226939	1	52	0.0	-75.94	385.93	9.65	-66.29
CC(C(=O)N1CCCC(CC(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007226944	0	50	0.0	-68.28	364.80	10.60	-57.68
CC(C(=O)N1CCCC(CC(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007226944	1	50	0.0	-69.53	364.51	10.61	-58.92
CCC(CC)C(C(=O)N1CCCC(CC(=O)[O-])C1)[NH+]1CCOCC1	REAL300007226959	1	56	0.0	-66.19	371.69	8.32	-57.87
O=C([O-])CC1CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007226972	0	53	0.0	-77.49	395.38	11.59	-65.90
O=C([O-])CC1CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007226972	1	53	0.0	-77.46	395.82	11.58	-65.88
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=N1	REAL300007226984	0	46	0.0	-95.97	352.29	8.15	-87.82
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007226985	0	46	0.0	-62.07	348.30	7.49	-54.58
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(CC(=O)[O-])C1	REAL300007226990	1	47	0.0	-65.84	356.33	9.56	-56.28
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=NN1	REAL300007226993	1	47	0.0	-85.17	353.20	7.63	-77.54
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=NN1	REAL300007226993	1	47	0.0	-81.53	346.22	7.12	-74.41
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300007227004	0	53	0.0	-77.65	397.83	11.47	-66.18
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300007227004	1	53	0.0	-76.18	397.41	11.48	-64.70
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300007227005	1	49	0.0	-62.04	363.42	8.79	-53.25
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300007227005	1	49	0.0	-64.31	362.60	8.55	-55.76
O=C([O-])CC1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300007227009	0	54	0.0	-77.53	400.39	9.07	-68.46
O=C([O-])CC1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300007227055	0	53	0.0	-71.33	372.29	10.10	-61.23
O=C([O-])CC1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300007227055	1	53	0.0	-71.31	372.44	10.08	-61.23
O=C([O-])CC1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300007227075	0	58	0.0	-76.64	415.44	9.93	-66.71
O=C([O-])CC1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300007227075	1	58	0.0	-77.88	419.93	10.27	-67.61
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007227082	0	50	0.0	-72.67	344.32	6.81	-65.86
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(CC(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300007227085	0	59	0.0	-74.76	430.07	10.25	-64.51
CC(C)[N@H+]1CCC(C(=O)N2CCCC(CC(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300007227085	1	59	0.0	-72.22	415.53	10.02	-62.20
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(CC(=O)[O-])C2)C=N1	REAL300007227086	0	53	0.0	-84.86	396.74	9.06	-75.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(CC(=O)[O-])C2)C=N1	REAL300007227086	1	53	0.0	-74.87	381.75	8.77	-66.10
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(CC(=O)[O-])C3)=C2)CC1	REAL300007227092	0	55	0.0	-83.89	407.13	8.91	-74.98
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CC1	REAL300007227093	0	55	0.0	-86.98	407.64	8.94	-78.04
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CC1	REAL300007227093	1	55	0.0	-90.12	406.56	8.78	-81.34
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300007227094	0	56	0.0	-89.58	411.73	10.55	-79.03
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300007227195	0	57	0.0	-91.75	421.66	8.64	-83.11
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=C1	REAL300007227199	0	46	0.0	-80.04	348.52	9.48	-70.56
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007227200	0	53	0.0	-77.83	381.98	11.28	-66.55
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007227200	1	53	0.0	-77.98	381.92	11.28	-66.70
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007227256	0	46	0.0	-66.20	345.58	9.52	-56.68
CC[NH+]1CCN(CCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300007227258	0	51	0.0	-79.33	368.58	6.99	-72.34
CCN1CC[NH+](CCC(=O)N2CCCC(CC(=O)[O-])C2)CC1	REAL300007227258	1	51	0.0	-73.27	368.97	7.01	-66.26
CC(C)C(C(=O)N1CCCC(CC(=O)[O-])C1)[NH+]1CCCCC1	REAL300007227261	0	52	0.0	-63.89	354.04	9.80	-54.09
C[NH+](C)C(C(=O)N1CCCC(CC(=O)[O-])C1)C1=CC=CC=C1	REAL300007227262	1	46	0.0	-66.99	342.17	9.61	-57.38
O=C([O-])CC1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007227266	0	51	0.0	-67.01	378.32	7.71	-59.30
O=C([O-])CC1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007227266	1	51	0.0	-62.68	377.22	7.78	-54.90
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(CC(=O)[O-])C1	REAL300007227271	1	47	0.0	-68.58	355.94	9.49	-59.09
C[NH+](C)CC1=C(C(=O)N2CCCC(CC(=O)[O-])C2)OC2=CC=CC=C21	REAL300007227272	0	49	0.0	-58.88	366.41	10.16	-48.72
O=C([O-])CC1CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300007227276	0	50	0.0	-65.94	349.64	9.63	-56.31
O=C([O-])CC1CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300007227276	1	50	0.0	-68.78	347.85	10.10	-58.68
O=C([O-])CC1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300007227299	1	51	0.0	-61.98	379.46	11.07	-50.91
CC(C)C(C(=O)N1CCCC(CC(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300007227300	1	56	0.0	-61.55	377.90	8.14	-53.41
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(CC(=O)[O-])C3)=CC=C1N2	REAL300007227328	1	51	0.0	-95.01	383.61	9.89	-85.12
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(CC(=O)[O-])C3)=CC=C1N2	REAL300007227328	1	51	0.0	-85.80	382.67	9.83	-75.97
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)O1	REAL300007227380	0	49	0.0	-39.36	362.63	9.78	-29.58
CC1=CC=C(N2CCC(C(=O)N3CCCC(CC(=O)[O-])C3)CC2)[NH+]=C1	REAL300007227381	1	52	0.0	-65.10	383.74	9.29	-55.81
C[N@H+](CC(=O)N1CCCC(CC(=O)[O-])C1)CC1=CC=CC=C1	REAL300007227382	1	46	0.0	-73.38	346.99	9.89	-63.49
C[N@@H+](CC(=O)N1CCCC(CC(=O)[O-])C1)CC1=CC=CC=C1	REAL300007227382	1	46	0.0	-73.58	346.95	9.88	-63.70
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CC1	REAL300007227385	0	58	0.0	-57.06	415.34	9.80	-47.26
O=C([O-])CC1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300007227396	1	41	0.0	-83.07	326.86	7.42	-75.65
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007227430	0	53	0.0	-72.32	394.13	11.32	-61.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007227430	1	53	0.0	-71.50	389.55	11.36	-60.14
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300007227448	0	54	0.0	-87.85	411.90	10.80	-77.05
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300007227466	0	50	0.0	-42.71	370.20	10.16	-32.55
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300007227497	0	52	0.0	-70.89	382.41	9.43	-61.46
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300007227497	1	52	0.0	-64.79	377.77	9.21	-55.58
O=C([O-])CC1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300007227736	0	54	0.0	-79.15	394.57	11.48	-67.67
O=C([O-])CC1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300007227736	1	54	0.0	-77.18	397.08	11.52	-65.66
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300007227768	1	53	0.0	-67.21	394.11	11.52	-55.69
O=C([O-])CC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300007227768	1	53	0.0	-66.91	382.73	11.02	-55.89
C[N@@H+]1CC(C(=O)N2CCCC(CC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300007227851	0	43	0.0	-75.41	330.50	7.85	-67.56
C[N@H+]1CC(C(=O)N2CCCC(CC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300007227851	1	43	0.0	-83.62	330.59	7.83	-75.79
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=C1	REAL300007228283	0	49	0.0	-81.17	371.55	10.33	-70.84
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300007228289	0	50	0.0	-90.20	378.27	9.26	-80.94
O=C([O-])CC1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300007228368	0	56	0.0	-72.50	410.15	12.29	-60.21
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CCO1	REAL300007228370	1	54	0.0	-90.67	396.49	9.68	-80.99
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(CC(=O)[O-])C3)C=C2)CCO1	REAL300007228370	1	54	0.0	-91.98	394.67	9.62	-82.36
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(CC(=O)[O-])C2)C1	REAL300007228456	0	52	0.0	-63.41	368.32	9.79	-53.62
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(CC(=O)[O-])C2)C1	REAL300007228456	1	52	0.0	-63.41	368.32	9.79	-53.62
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CC(=O)[O-])C2)C1	REAL300007228464	0	52	0.0	-83.47	353.73	8.79	-74.68
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CC(=O)[O-])C2)C1	REAL300007228464	1	52	0.0	-83.47	353.73	8.79	-74.68
O=C([O-])C1CC12CCN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)CC2	REAL300007229792	0	54	0.0	-84.96	400.95	12.10	-72.86
O=C([O-])C1CC12CCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300007230562	0	51	0.0	-74.05	385.70	11.58	-62.47
O=C([O-])C1CC12CCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300007230562	1	51	0.0	-60.44	380.51	11.45	-48.99
O=C([O-])C1CC12CCN(C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)CC2	REAL300007231411	1	51	0.0	-76.19	396.76	11.70	-64.49
O=C([O-])C1CC12CCN(C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)CC2	REAL300007231411	1	51	0.0	-63.47	397.62	11.98	-51.49
O=C([O-])C1CC12CCN(C(=O)C1CC[NH+](C3CC3)CC1)CC2	REAL300007231486	0	48	0.0	-65.69	349.36	9.76	-55.93
CC1=[NH+]C=C2CCC(C(=O)N3CCC4(CC4C(=O)[O-])CC3)CN12	REAL300007231514	1	46	0.0	-60.31	347.57	9.58	-50.73
O=C([O-])C1CC12CCN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC2	REAL300007231515	0	54	0.0	-70.38	399.44	11.86	-58.52
CC1=NC(C[NH+]2CCC(C(=O)N3CCC4(CC4C(=O)[O-])CC3)CC2)=CS1	REAL300007231591	1	53	0.0	-70.31	407.97	9.79	-60.52
CC(C(=O)N1CCC2(CC2C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300007231592	1	49	0.0	-69.75	355.02	6.85	-62.90
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1	REAL300007231676	0	57	0.0	-82.22	434.95	11.77	-70.45
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007231688	0	57	0.0	-73.91	434.92	13.74	-60.17
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007231688	1	57	0.0	-81.84	435.00	13.74	-68.10
CC1(C(=O)N2CCC3(CC3C(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007231690	0	57	0.0	-70.50	405.34	12.05	-58.45
C[NH+](C)CC1(C(=O)N2CCC3(CC3C(=O)[O-])CC2)CCCCC1	REAL300007231775	0	53	0.0	-82.95	355.66	10.39	-72.56
C[N@H+](CCC(=O)N1CCC2(CC2C(=O)[O-])CC1)C1CCCCC1	REAL300007231779	0	53	0.0	-78.83	379.30	10.62	-68.21
C[N@@H+](CCC(=O)N1CCC2(CC2C(=O)[O-])CC1)C1CCCCC1	REAL300007231779	1	53	0.0	-78.46	379.31	10.63	-67.83
O=C([O-])C1CC12CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)CC2	REAL300007231802	1	54	0.0	-64.52	404.38	12.18	-52.34
O=C([O-])C1CC12CCN(C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)CC2	REAL300007231802	1	54	0.0	-61.06	404.37	12.18	-48.88
O=C([O-])C1CC12CCN(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CC2	REAL300007231803	1	51	0.0	-77.02	386.44	11.24	-65.78
O=C([O-])C1CC12CCN(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CC2	REAL300007231803	1	51	0.0	-64.38	387.30	11.53	-52.85
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)CC2	REAL300007231860	0	47	0.0	-71.54	368.45	9.27	-62.27
C[NH+](C)CCN1N=CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300007231865	0	57	0.0	-76.86	437.37	11.41	-65.45
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C[NH+](C)CC1=CC=CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007232586	0	47	0.0	-67.67	360.38	10.23	-57.44
O=C([O-])C1CC12CCN(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)CC2	REAL300007232587	0	54	0.0	-74.44	399.57	12.02	-62.42
O=C([O-])C1CC12CCN(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)CC2	REAL300007232587	1	54	0.0	-58.41	390.58	11.91	-46.50
C#CC[NH+]1CCC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)CC1	REAL300007232653	0	46	0.0	-82.74	349.07	9.68	-73.06
CCC[N@@H+]1CCCCC1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007232655	0	50	0.0	-70.86	349.62	9.47	-61.39
CCC[N@H+]1CCCCC1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007232655	1	50	0.0	-60.85	359.71	9.87	-50.98
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007232657	0	47	0.0	-55.05	354.70	10.13	-44.92
CC[NH+]1CCN(CCC(=O)N2CCC3(CC3C(=O)[O-])CC2)CC1	REAL300007232659	0	52	0.0	-79.57	381.59	7.74	-71.83
CCN1CC[NH+](CCC(=O)N2CCC3(CC3C(=O)[O-])CC2)CC1	REAL300007232659	1	52	0.0	-78.66	378.99	7.64	-71.02
CC(C)C(C(=O)N1CCC2(CC2C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300007232661	0	53	0.0	-72.35	361.76	10.32	-62.03
C[NH+](C)C(C(=O)N1CCC2(CC2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300007232662	1	47	0.0	-67.80	349.07	10.18	-57.62
O=C([O-])C1CC12CCN(C(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)CC2	REAL300007232666	0	52	0.0	-72.79	387.00	8.28	-64.51
O=C([O-])C1CC12CCN(C(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)CC2	REAL300007232666	1	52	0.0	-73.94	391.97	8.35	-65.59
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007232672	1	48	0.0	-70.13	366.34	10.18	-59.95
C[NH+](C)CC1=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300007232673	0	50	0.0	-64.50	382.32	10.82	-53.68
O=C([O-])C1CC12CCN(C(=O)C1CCC[N@@H+]1C1CCCC1)CC2	REAL300007232678	0	51	0.0	-59.79	361.32	10.29	-49.50
O=C([O-])C1CC12CCN(C(=O)C1CCC[N@H+]1C1CCCC1)CC2	REAL300007232678	1	51	0.0	-73.01	355.07	10.44	-62.57
O=C([O-])C1CC12CCN(C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1)CC2	REAL300007232706	1	52	0.0	-66.90	390.02	11.73	-55.17
CC(C)C(C(=O)N1CCC2(CC2C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300007232707	1	57	0.0	-68.23	399.22	9.46	-58.77
CC(C(=O)N1CCC2(CC2C(=O)[O-])CC1)[NH+]1CCCCCC1	REAL300007232708	0	50	0.0	-68.96	345.48	9.31	-59.65
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4(CC4C(=O)[O-])CC3)=CC=C1N2	REAL300007232744	1	52	0.0	-74.68	394.35	10.56	-64.12
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4(CC4C(=O)[O-])CC3)=CC=C1N2	REAL300007232744	1	52	0.0	-75.08	394.50	10.58	-64.50
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)O1	REAL300007232802	0	50	0.0	-63.15	375.92	10.03	-53.12
O=C([O-])C1CC12CCN(C(=O)CCCC[NH+]1CCCC1)CC2	REAL300007232803	0	50	0.0	-78.53	371.47	10.28	-68.25
CC1=CC=C(N2CCC(C(=O)N3CCC4(CC4C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300007232805	1	53	0.0	-77.31	394.94	9.99	-67.32
C[N@H+](CC(=O)N1CCC2(CC2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300007232806	1	47	0.0	-66.86	356.61	10.56	-56.30
C[N@@H+](CC(=O)N1CCC2(CC2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300007232806	1	47	0.0	-67.19	356.61	10.56	-56.63
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)C=C2)CC1	REAL300007232810	0	59	0.0	-72.23	426.30	10.53	-61.70
O=C([O-])C1CC12CCN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)CC2	REAL300007232824	1	42	0.0	-73.91	337.55	8.13	-65.78
C[NH+](C)CC1=CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=NO1	REAL300007232853	1	43	0.0	-82.80	336.13	8.29	-74.51
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007232859	0	54	0.0	-77.39	400.38	12.32	-65.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007232859	1	54	0.0	-82.17	404.57	12.00	-70.17
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1	REAL300007232883	0	55	0.0	-74.78	422.24	11.48	-63.30
C[NH+]1CCC(OCC(=O)N2CCC3(CC3C(=O)[O-])CC2)CC1	REAL300007232900	0	48	0.0	-83.27	360.80	9.14	-74.13
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)CC2	REAL300007232906	0	51	0.0	-65.77	381.81	10.46	-55.31
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC3(CC3C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300007232947	0	53	0.0	-74.33	392.71	10.13	-64.20
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC3(CC3C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300007232947	1	53	0.0	-78.01	389.99	9.97	-68.04
CCC[N@@H+]1CCCC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C1	REAL300007233091	0	50	0.0	-65.80	364.09	9.90	-55.90
CCC[N@H+]1CCCC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C1	REAL300007233091	1	50	0.0	-74.04	362.22	9.85	-64.19
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007233123	0	50	0.0	-61.11	364.92	10.09	-51.02
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007233123	1	50	0.0	-70.91	361.99	9.96	-60.95
O=C([O-])C1CC12CCN(C(=O)C[NH+]1CCC(CO)CC1)CC2	REAL300007233126	0	48	0.0	-75.62	354.34	6.14	-69.48
O=C([O-])C1CC12CCN(C(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)CC2	REAL300007233220	0	55	0.0	-72.40	403.05	12.18	-60.22
O=C([O-])C1CC12CCN(C(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)CC2	REAL300007233220	1	55	0.0	-61.20	404.18	12.08	-49.12
O=C([O-])C1CC12CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)CC2	REAL300007233258	1	54	0.0	-74.28	392.74	11.60	-62.68
O=C([O-])C1CC12CCN(C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)CC2	REAL300007233258	1	54	0.0	-74.35	393.32	11.63	-62.72
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C1	REAL300007233347	0	50	0.0	-67.68	350.44	9.83	-57.85
CC(C)[N@H+]1CCCC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C1	REAL300007233347	1	50	0.0	-77.44	362.35	9.80	-67.64
C[N@@H+]1CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300007233348	0	44	0.0	-75.79	328.42	8.19	-67.60
C[N@H+]1CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300007233348	1	44	0.0	-70.56	333.27	8.34	-62.22
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3(CC3C(=O)[O-])CC2)N1	REAL300007233374	1	45	0.0	-71.04	351.12	8.31	-62.73
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007233848	0	50	0.0	-76.51	380.75	11.01	-65.50
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1	REAL300007233854	0	51	0.0	-72.91	387.68	9.94	-62.97
O=C([O-])C1CC12CCN(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)CC2	REAL300007233944	0	57	0.0	-78.92	420.60	12.95	-65.97
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)C=C2)CCO1	REAL300007233946	1	55	0.0	-75.50	413.70	10.39	-65.11
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)C=C2)CCO1	REAL300007233946	1	55	0.0	-88.48	413.29	10.38	-78.10
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3(CC3C(=O)[O-])CC2)CC1	REAL300007233989	0	50	0.0	-65.98	347.87	9.38	-56.60
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C1	REAL300007234055	0	53	0.0	-58.93	367.57	10.33	-48.60
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C1	REAL300007234055	1	53	0.0	-66.55	381.20	10.60	-55.95
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)O1	REAL300007234060	1	44	0.0	-66.14	340.22	8.59	-57.55
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3(CC3C(=O)[O-])CC2)C1	REAL300007234065	0	53	0.0	-70.98	363.27	9.48	-61.50
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3(CC3C(=O)[O-])CC2)C1	REAL300007234065	1	53	0.0	-80.49	353.51	9.11	-71.38
O=C([O-])C1CC12CCN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)CC2	REAL300007234068	0	46	0.0	-74.78	335.20	10.09	-64.69
O=C([O-])C1CC12CCN(C(=O)C13CC(C1)C[N@H+]3C1CC1)CC2	REAL300007234068	1	46	0.0	-74.52	333.42	10.00	-64.52
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCC2COCCC2C1	REAL300007234149	0	54	0.0	-49.80	384.50	7.50	-42.30
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CCC2COCCC2C1	REAL300007234149	1	54	0.0	-49.55	385.35	7.74	-41.81
CC1CC2CCCCC2N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007234256	0	53	0.0	-45.13	365.92	10.57	-34.56
CC1CC2CCCCC2N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007234256	1	53	0.0	-45.68	371.16	10.37	-35.31
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1	REAL300007234366	0	53	0.0	-44.83	376.10	8.85	-35.98
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1	REAL300007234366	1	53	0.0	-46.62	382.80	9.30	-37.32
O=C([O-])COC1=CC=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234412	1	43	0.0	-75.96	345.77	8.59	-67.37
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)S1	REAL300007234413	1	36	0.0	-59.65	308.98	7.48	-52.17
O=C([O-])C1=CC=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=N1	REAL300007234414	1	38	0.0	-52.16	312.80	6.58	-45.58
CC(SC1=CC=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300007234415	1	46	0.0	-77.43	367.26	10.07	-67.36
CCOC1=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC=C1OCC(=O)[O-]	REAL300007234416	1	50	0.0	-73.53	396.76	9.27	-64.26
O=C([O-])C1=CC=C(CCC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007234417	1	45	0.0	-73.14	360.75	9.79	-63.35
O=C([O-])C1=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC=N1	REAL300007234418	1	38	0.0	-80.71	310.77	6.55	-74.16
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NCC1CCCC2=[NH+]C=CN21	REAL300007234419	1	43	0.0	-72.93	349.21	9.50	-63.43
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007234420	1	47	0.0	-69.66	393.42	4.69	-64.97
O=C([O-])C1=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC([N+](=O)[O-])=C1	REAL300007234421	1	41	0.0	-52.90	342.86	8.98	-43.92
O=C([O-])C1=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC([N+](=O)[O-])=C1	REAL300007234422	1	41	0.0	-52.90	342.86	8.98	-43.92
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007234423	1	49	0.0	-74.64	389.69	9.87	-64.77
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234424	1	46	0.0	-78.32	371.02	9.63	-68.69
O=C([O-])C1=CC=CC=C1CCC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234425	1	45	0.0	-66.15	352.16	9.53	-56.62
CC1=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC(C)=C1OCC(=O)[O-]	REAL300007234426	1	49	0.0	-70.81	387.48	10.04	-60.77
O=C([O-])C1=CC(CC(=O)NCC2CCCC3=[NH+]C=CN32)=CC=C1	REAL300007234427	1	42	0.0	-79.89	339.36	8.98	-70.91
O=C([O-])C1CCCC(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300007234428	1	45	0.0	-76.50	337.96	8.45	-68.05
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=N1	REAL300007234429	1	38	0.0	-66.89	310.57	6.53	-60.36
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)N=C1	REAL300007234430	1	38	0.0	-57.06	312.10	6.58	-50.48
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C(F)=C1	REAL300007234431	1	39	0.0	-68.18	319.21	8.39	-59.79
O=C([O-])C1=CN=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=N1	REAL300007234432	1	37	0.0	-59.80	307.68	4.71	-55.09
O=C([O-])[C@H]1CC[C@H](C(=O)NCC2CCCC3=[NH+]C=CN32)CC1	REAL300007234433	1	45	0.0	-68.03	340.81	8.55	-59.48
O=C([O-])C1CCC(C(=O)NCC2CCCC3=[NH+]C=CN32)CC1	REAL300007234434	1	45	0.0	-68.02	340.80	8.55	-59.47
O=C([O-])C1=CC=C(CC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007234435	1	42	0.0	-81.22	339.36	8.99	-72.23
O=C([O-])C1=CN(CC(=O)NCC2CCCC3=[NH+]C=CN32)N=N1	REAL300007234436	1	38	0.0	-81.85	316.51	4.96	-76.89
CC1=NC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CC=C1C(=O)[O-]	REAL300007234437	1	41	0.0	-57.42	328.36	7.08	-50.34
O=C([O-])C1=CC(Br)=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234438	1	39	0.0	-70.70	335.98	8.91	-61.79
O=C([O-])CC1=CC=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234439	1	42	0.0	-72.64	336.88	9.08	-63.56
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234440	1	49	0.0	-68.75	380.76	11.69	-57.06
O=C([O-])CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=CO1	REAL300007234441	1	39	0.0	-71.55	317.14	7.23	-64.32
CC1=COC(CC(=O)[O-])=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234442	1	42	0.0	-54.73	344.00	7.84	-46.89
O=C([O-])C1=CC=NC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234443	1	38	0.0	-65.89	312.29	6.59	-59.30
O=C([O-])C1CCC(CC(=O)NCC2CCCC3=[NH+]C=CN32)CC1	REAL300007234444	1	48	0.0	-67.18	352.34	9.04	-58.14
O=C([O-])C12CCC(C(=O)NCC3CCCC4=[NH+]C=CN43)(CC1)C2	REAL300007234445	1	46	0.0	-77.37	348.60	8.70	-68.67
O=C([O-])C12CCC(C(=O)NCC3CCCC4=[NH+]C=CN43)(CC1)CC2	REAL300007234446	1	49	0.0	-69.94	355.76	9.14	-60.80
O=C([O-])C1=C2N=CC=C(C(=O)NCC3CCCC4=[NH+]C=CN43)N2N=C1	REAL300007234447	1	41	0.0	-67.02	335.40	7.65	-59.37
O=C([O-])CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)NC2=CC=CC=C21	REAL300007234448	1	46	0.0	-76.61	366.84	9.02	-67.59
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC3CCCC4=[NH+]C=CN43)C2=C1	REAL300007234449	1	52	0.0	-67.57	393.60	11.20	-56.37
CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C(C(=O)[O-])O1	REAL300007234450	1	39	0.0	-58.86	317.83	7.45	-51.41
CC1=C(C(=O)[O-])OC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234451	1	39	0.0	-54.08	319.04	7.29	-46.79
O=C([O-])C1=CN(CC(=O)NCC2CCCC3=[NH+]C=CN32)N=C1	REAL300007234452	1	39	0.0	-77.85	321.43	6.45	-71.40
O=C([O-])C=CC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)O1	REAL300007234453	1	40	0.0	-58.08	334.25	7.90	-50.18
O=C([O-])C1(C(=O)NCC2CCCC3=[NH+]C=CN32)CC2(CCC2)C1	REAL300007234454	1	46	0.0	-50.06	345.56	9.01	-41.05
O=C([O-])COC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007234455	1	43	0.0	-68.25	345.69	8.60	-59.65
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300007234456	1	48	0.0	-73.67	382.94	8.89	-64.78
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)N=C1	REAL300007234457	1	38	0.0	-57.06	312.10	6.58	-50.48
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234458	1	39	0.0	-76.58	311.41	6.00	-70.58
C[C@@H]1C[C@H](C(=O)NCC2CCCC3=[NH+]C=CN32)O[C@H]1C(=O)[O-]	REAL300007234459	1	43	0.0	-72.12	336.90	7.83	-64.29
O=C([O-])CC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007234460	1	42	0.0	-65.82	336.87	9.09	-56.73
O=C([O-])C=CC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007234461	1	43	0.0	-69.82	346.77	9.61	-60.21
O=C(C=CC1=CC(C(=O)[O-])=CO1)NCC1CCCC2=[NH+]C=CN21	REAL300007234462	1	40	0.0	-69.16	333.76	7.76	-61.40
O=C([O-])CCC1=CC=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234463	1	45	0.0	-75.37	349.91	9.84	-65.53
O=C([O-])C1=C(COCC(=O)NCC2CCCC3=[NH+]C=CN32)OC=N1	REAL300007234464	1	42	0.0	-79.15	347.46	4.05	-75.10
O=C(C=CC1=CC=C(C(=O)[O-])O1)NCC1CCCC2=[NH+]C=CN21	REAL300007234465	1	40	0.0	-63.06	335.29	8.11	-54.95
CC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1C(=O)[O-]	REAL300007234466	1	42	0.0	-78.03	330.67	8.85	-69.18
O=C([O-])C1=CN=CC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234467	1	38	0.0	-69.87	309.85	6.52	-63.35
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234468	1	41	0.0	-53.10	326.13	7.18	-45.92
O=C([O-])C1=NN(CC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007234469	1	39	0.0	-87.40	320.76	6.47	-80.93
O=C([O-])C1=NN(CCCC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007234470	1	45	0.0	-88.21	364.37	7.84	-80.37
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC2CCCC3=[NH+]C=CN32)O1	REAL300007234471	1	46	0.0	-77.24	358.26	8.23	-69.01
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC1CCCC2=[NH+]C=CN21	REAL300007234472	1	46	0.0	-68.85	356.86	7.12	-61.73
CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)OC(C(=O)[O-])=C1	REAL300007234473	1	39	0.0	-54.03	318.93	7.39	-46.64
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234474	1	47	0.0	-60.62	346.00	9.39	-51.23
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234475	1	45	0.0	-68.47	330.56	8.85	-59.62
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCC3=NC=CN32)C1	REAL300007234476	0	47	0.0	-56.33	352.89	8.07	-48.26
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCC3=NC=CN32)C1	REAL300007234476	1	47	0.0	-55.57	352.22	8.06	-47.51
O=C([O-])C1(C(=O)NCC2CCCC3=[NH+]C=CN32)CC1C1=CC=CC=C1	REAL300007234477	1	46	0.0	-45.03	355.46	10.25	-34.78
O=C([O-])CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)NC2=CC=CC=C21	REAL300007234478	1	46	0.0	-76.61	366.84	9.02	-67.59
O=C([O-])C1=CN(CC(=O)NCC2CCCC3=[NH+]C=CN32)C2=CC=CC=C12	REAL300007234479	1	46	0.0	-87.79	372.70	10.43	-77.36
O=C([O-])C1CC12CC(C(=O)NCC1CCCC3=[NH+]C=CN31)C2	REAL300007234480	1	43	0.0	-59.88	337.08	8.65	-51.23
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234481	1	45	0.0	-72.69	346.31	9.08	-63.61
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234482	1	42	0.0	-54.43	330.72	8.98	-45.45
O=C([O-])C1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=CS1	REAL300007234483	1	36	0.0	-75.00	302.47	8.25	-66.75
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234484	1	41	0.0	-67.45	320.37	7.08	-60.37
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234485	1	42	0.0	-67.37	330.71	8.98	-58.39
O=C([O-])C1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C(Cl)=C1	REAL300007234486	1	39	0.0	-66.67	327.17	8.81	-57.86
O=C([O-])C1CC2(C1)CC(C(=O)NCC1CCCC3=[NH+]C=CN31)C2	REAL300007234487	1	46	0.0	-71.26	355.65	9.16	-62.10
COC1=CC(C(=O)[O-])=NC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234488	1	42	0.0	-50.49	342.54	5.91	-44.58
CN1C(C(=O)[O-])=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234489	1	40	0.0	-68.19	317.31	7.52	-60.67
O=C([O-])CCC1=CC=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C1	REAL300007234490	1	45	0.0	-67.92	358.27	9.89	-58.03
CC1=NNC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1C(=O)[O-]	REAL300007234491	1	39	0.0	-70.54	310.23	6.13	-64.41
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC1CCCC3=[NH+]C=CN31)C2	REAL300007234492	1	43	0.0	-66.18	348.77	8.80	-57.38
O=C([O-])C1=NC(C(=O)NCC2CCCC3=[NH+]C=CN32)=CS1	REAL300007234493	1	35	0.0	-50.42	304.36	5.46	-44.96
CC1=C(C(=O)NCC2CCCC3=[NH+]C=CN32)C=C(C(=O)[O-])S1	REAL300007234494	1	39	0.0	-55.43	323.95	8.15	-47.28
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCC1CCCC3=[NH+]C=CN31)=C2	REAL300007234495	1	39	0.0	-69.33	344.50	8.89	-60.44
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234496	1	43	0.0	-71.15	352.40	7.99	-63.16
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234497	1	42	0.0	-57.95	342.74	8.72	-49.23
O=C([O-])C1=C2C=C(C(=O)NCC3CCCC4=[NH+]C=CN43)SC2=CC=C1	REAL300007234498	1	42	0.0	-76.98	349.86	9.59	-67.39
O=C([O-])C1=NC=CC=C1CCC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234499	1	44	0.0	-64.79	348.29	7.77	-57.02
O=C([O-])C12CC(C(=O)NCC3CCCC4=[NH+]C=CN43)(C1)OC2	REAL300007234500	1	41	0.0	-61.04	324.50	5.90	-55.14
O=C(/C=C/C1=CC=C(C(=O)[O-])C=C1)NCC1CCCC2=[NH+]C=CN21	REAL300007234501	1	43	0.0	-72.95	349.21	9.50	-63.45
O=C([O-])C1(C(=O)NCC2CCCC3=[NH+]C=CN32)CC2(CCC2)C1	REAL300007234502	1	46	0.0	-50.06	345.56	9.01	-41.05
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234503	1	39	0.0	-59.20	320.66	5.72	-53.48
O=C([O-])C1=CSC2=C1NC(C(=O)NCC1CCCC3=[NH+]C=CN31)=C2	REAL300007234504	1	40	0.0	-56.49	339.86	7.32	-49.17
O=C([O-])C1=CC2=C(C=C(C(=O)NCC3CCCC4=[NH+]C=CN43)N2)S1	REAL300007234505	1	40	0.0	-69.14	340.05	7.46	-61.68
O=C([O-])C1=COC2=C1NC(C(=O)NCC1CCCC3=[NH+]C=CN31)=C2	REAL300007234506	1	40	0.0	-58.32	331.21	6.46	-51.86
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234507	1	42	0.0	-75.12	324.84	8.87	-66.25
O=C(C=CC1=CC=C(C(=O)[O-])N=C1)NCC1CCCC2=[NH+]C=CN21	REAL300007234508	1	42	0.0	-73.88	344.98	7.72	-66.16
O=C([O-])C1=CSC(C(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234509	1	36	0.0	-72.63	307.91	7.31	-65.32
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234510	1	44	0.0	-65.93	335.06	6.49	-59.44
O=C([O-])C1=CC=CC2=C(C(=O)NCC3CCCC4=[NH+]C=CN43)C=CC=C12	REAL300007234511	1	45	0.0	-74.68	350.69	10.38	-64.30
CC(C)[C@]1(C(=O)NCC2CCCC3=[NH+]C=CN32)C[C@H]1C(=O)[O-]	REAL300007234512	1	45	0.0	-42.61	336.86	8.15	-34.46
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300007234513	1	45	0.0	-82.59	356.06	9.44	-73.15
O=C([O-])C1=CSC(CC(=O)NCC2CCCC3=[NH+]C=CN32)=C1	REAL300007234514	1	39	0.0	-78.46	330.90	8.12	-70.34
O=C([O-])C1=CC=C(CC(=O)NCC2CCCC3=[NH+]C=CN32)C=C1F	REAL300007234515	1	42	0.0	-84.54	343.90	9.01	-75.53
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC2CCCC3=[NH+]C=CN32)S1	REAL300007234516	1	46	0.0	-59.85	363.70	9.85	-50.00
O=C([O-])C12CCC(C(=O)NCC3CCCC4=[NH+]C=CN43)(CC1)CC2	REAL300007234517	1	49	0.0	-69.94	355.76	9.14	-60.80
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC(F)=CC(F)=C3)CC2)C1	REAL300007234597	0	50	0.0	-46.97	377.29	10.65	-36.32
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC(F)=CC(F)=C3)CC2)C1	REAL300007234597	1	50	0.0	-50.33	384.77	11.11	-39.22
CN1N=C2CCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CC2=C1C(=O)[O-]	REAL300007235817	0	54	0.0	-86.64	410.22	10.50	-76.14
CN1N=C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2=C1C(=O)[O-]	REAL300007236488	0	51	0.0	-72.93	391.14	9.90	-63.03
CN1N=C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2=C1C(=O)[O-]	REAL300007236488	1	51	0.0	-72.14	388.09	9.85	-62.29
CN1N=C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2=C1C(=O)[O-]	REAL300007237413	0	48	0.0	-79.23	362.99	8.40	-70.83
CN1N=C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2=C1C(=O)[O-]	REAL300007237440	0	45	0.0	-68.27	343.32	7.71	-60.56
CN1N=C2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2=C1C(=O)[O-]	REAL300007237440	1	45	0.0	-68.84	335.43	7.47	-61.37
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=NN(C)C(C(=O)[O-])=C4C3)CN21	REAL300007237446	1	46	0.0	-69.78	357.50	8.01	-61.77
CN1N=C2CCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CC2=C1C(=O)[O-]	REAL300007237447	0	54	0.0	-73.62	410.24	10.40	-63.22
CN1N=C2CCN(C(=O)C3CCCC[N@@H+]3C)CC2=C1C(=O)[O-]	REAL300007237529	0	44	0.0	-71.92	316.51	6.37	-65.55
CN1N=C2CCN(C(=O)C3CCCC[N@H+]3C)CC2=C1C(=O)[O-]	REAL300007237529	1	44	0.0	-72.42	322.30	6.62	-65.80
CC(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)N1CC[NH+](C)CC1	REAL300007237530	1	49	0.0	-75.60	358.92	5.08	-70.52
CN1N=C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2=C1C(=O)[O-]	REAL300007237574	0	44	0.0	-71.92	316.52	6.37	-65.55
CN1N=C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2=C1C(=O)[O-]	REAL300007237574	1	44	0.0	-68.65	328.16	6.91	-61.74
CN1N=C2CCN(C(=O)C3(C)CC[NH+](CC4=CC=CC=C4)CC3)CC2=C1C(=O)[O-]	REAL300007237632	0	57	0.0	-71.65	411.69	10.32	-61.33
CN1N=C2CCN(C(=O)C3CC[NH+](C)CC3)CC2=C1C(=O)[O-]	REAL300007237666	0	44	0.0	-82.40	334.03	6.98	-75.42
CN1N=C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2=C1C(=O)[O-]	REAL300007237692	0	39	0.0	-78.39	323.91	8.73	-69.66
CN1N=C2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2=C1C(=O)[O-]	REAL300007237726	0	53	0.0	-74.70	355.68	8.38	-66.32
CN1N=C2CCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2=C1C(=O)[O-]	REAL300007237731	0	53	0.0	-79.10	388.03	9.07	-70.03
CN1N=C2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)CC2=C1C(=O)[O-]	REAL300007237731	1	53	0.0	-79.11	388.02	9.07	-70.04
CN1N=C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)CC2=C1C(=O)[O-]	REAL300007237749	1	51	0.0	-72.49	392.29	9.59	-62.90
CN1N=C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)CC2=C1C(=O)[O-]	REAL300007237749	1	51	0.0	-78.30	394.35	9.86	-68.44
CN1N=C2CCN(C(=O)C3CC[NH+](C)CC3)CC2=C1C(=O)[O-]	REAL300007237803	0	44	0.0	-82.40	334.03	6.98	-75.42
CN1N=C2CCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CC2=C1C(=O)[O-]	REAL300007237808	0	47	0.0	-81.96	374.96	7.60	-74.36
CN1N=C2CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2=C1C(=O)[O-]	REAL300007237832	0	54	0.0	-66.44	384.22	9.14	-57.30
CN1N=C2CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2=C1C(=O)[O-]	REAL300007237832	1	54	0.0	-69.31	380.87	9.02	-60.29
CN1N=C2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2=C1C(=O)[O-]	REAL300007237833	0	55	0.0	-57.60	400.94	7.58	-50.02
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007237866	1	45	0.0	-74.95	360.58	8.38	-66.57
CN1N=C2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2=C1C(=O)[O-]	REAL300007237867	1	51	0.0	-82.42	387.84	7.05	-75.37
CC[N@H+](CC1=CC=C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C=C1)C(C)C	REAL300007237870	0	56	0.0	-56.95	412.96	10.13	-46.82
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C=C1)C(C)C	REAL300007237870	1	56	0.0	-83.94	403.90	9.71	-74.23
CN1N=C2CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC2=C1C(=O)[O-]	REAL300007237919	0	51	0.0	-77.93	390.95	9.75	-68.18
CN1N=C2CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2=C1C(=O)[O-]	REAL300007237919	1	51	0.0	-78.78	388.99	9.70	-69.08
CN1N=C2CCN(C(=O)C3CC[NH+](C4CCSC4)CC3)CC2=C1C(=O)[O-]	REAL300007237920	0	52	0.0	-87.84	393.24	9.21	-78.63
CN1N=C2CCN(C(=O)C(C3=CC=CC=C3)N3CC[NH+](C)CC3)CC2=C1C(=O)[O-]	REAL300007237947	1	56	0.0	-64.34	412.15	7.52	-56.82
CN1N=C2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC2=C1C(=O)[O-]	REAL300007237948	0	55	0.0	-78.07	386.34	7.33	-70.74
CCC(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[NH+](CC)CC	REAL300007237952	0	49	0.0	-64.48	349.94	7.59	-56.89
CC(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300007237954	0	50	0.0	-73.75	382.55	9.38	-64.37
CC(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007237954	1	50	0.0	-73.86	380.47	9.29	-64.57
CN1N=C2CCN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)CC2=C1C(=O)[O-]	REAL300007237966	0	57	0.0	-68.79	423.83	11.54	-57.25
CN1N=C2CCN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)CC2=C1C(=O)[O-]	REAL300007237966	1	57	0.0	-53.66	423.44	11.42	-42.24
CN1N=C2CCN(C(=O)C3=CC=C(C[NH+](C)C)N=C3)CC2=C1C(=O)[O-]	REAL300007237988	0	46	0.0	-84.87	361.44	6.69	-78.18
CCC[NH+](CCC)CCCC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007237997	0	55	0.0	-78.19	412.13	9.68	-68.51
CN1N=C2CCN(C(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)CC2=C1C(=O)[O-]	REAL300007237998	1	55	0.0	-68.98	413.10	7.12	-61.86
CC[N@H+](C)C(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300007237999	0	50	0.0	-69.45	370.94	9.18	-60.27
CC[N@@H+](C)C(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300007237999	1	50	0.0	-69.80	375.56	9.72	-60.08
CN1N=C2CCN(C(=O)C3C[N@H+](C)CCO3)CC2=C1C(=O)[O-]	REAL300007238001	1	42	0.0	-88.73	319.69	5.57	-83.16
CN1N=C2CCN(C(=O)C3C[N@@H+](C)CCO3)CC2=C1C(=O)[O-]	REAL300007238001	1	42	0.0	-74.21	312.54	5.41	-68.80
CC[NH+](CC)C(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300007238004	0	53	0.0	-69.46	385.70	9.65	-59.81
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238013	1	45	0.0	-68.85	358.99	8.19	-60.66
CN1N=C2CCN(C(=O)C(C3=CC=C(Cl)C=C3)[NH+](C)C)CC2=C1C(=O)[O-]	REAL300007238018	1	47	0.0	-71.51	370.45	8.99	-62.52
CN1N=C2CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC2=C1C(=O)[O-]	REAL300007238031	0	51	0.0	-59.86	390.70	9.68	-50.18
CN1N=C2CCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)CC2=C1C(=O)[O-]	REAL300007238039	0	54	0.0	-60.29	408.81	10.44	-49.85
CN1N=C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2=C1C(=O)[O-]	REAL300007238046	0	44	0.0	-74.65	338.24	7.01	-67.64
CN1N=C2CCN(C(=O)CCCC[NH+](C)C)CC2=C1C(=O)[O-]	REAL300007238056	0	46	0.0	-80.67	354.94	7.59	-73.08
CC(C)C(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[NH+](C)C	REAL300007238065	0	46	0.0	-73.17	327.74	6.88	-66.29
CN1N=C2CCN(C(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)CC2=C1C(=O)[O-]	REAL300007238067	1	55	0.0	-87.29	423.82	9.99	-77.30
CN1N=C2CCN(C(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)CC2=C1C(=O)[O-]	REAL300007238067	1	55	0.0	-90.78	417.21	9.96	-80.82
CN1N=C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)CC2=C1C(=O)[O-]	REAL300007238079	0	54	0.0	-71.15	393.11	9.92	-61.23
CN1N=C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)CC2=C1C(=O)[O-]	REAL300007238079	1	54	0.0	-71.60	398.92	10.19	-61.41
CC1=C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C=NN1C1=CC=[NH+]C=C1	REAL300007238081	1	45	0.0	-68.34	363.27	6.94	-61.40
CN1N=C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)CC2=C1C(=O)[O-]	REAL300007238089	0	54	0.0	-59.81	407.44	10.39	-49.42
CN1N=C2CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC2=C1C(=O)[O-]	REAL300007238103	1	47	0.0	-67.79	371.31	7.90	-59.89
CN1N=C2CCN(C(=O)C3=CC=C(CC[NH+](C)C)C=C3)CC2=C1C(=O)[O-]	REAL300007238104	0	50	0.0	-88.63	388.39	9.38	-79.25
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238116	1	43	0.0	-67.59	339.18	5.93	-61.66
CN1N=C2CCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)CC2=C1C(=O)[O-]	REAL300007238118	1	52	0.0	-87.44	396.41	9.16	-78.28
CN1N=C2CCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)CC2=C1C(=O)[O-]	REAL300007238118	1	52	0.0	-87.40	400.11	9.28	-78.12
CN1N=C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2=C1C(=O)[O-]	REAL300007238149	0	44	0.0	-71.43	335.69	7.38	-64.05
CN1N=C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2=C1C(=O)[O-]	REAL300007238149	1	44	0.0	-70.75	335.79	7.39	-63.36
CC(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[NH+]1CCSCC1	REAL300007238175	1	45	0.0	-72.05	345.96	7.34	-64.71
CN1N=C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2=C1C(=O)[O-]	REAL300007238181	0	49	0.0	-73.63	359.38	7.96	-65.67
CN1N=C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2=C1C(=O)[O-]	REAL300007238181	1	49	0.0	-73.69	357.41	7.80	-65.89
CN1N=C2CCN(C(=O)C[N@H+](C)CCC3=CC=CC=C3)CC2=C1C(=O)[O-]	REAL300007238183	0	50	0.0	-76.78	388.74	9.84	-66.94
CN1N=C2CCN(C(=O)C[N@@H+](C)CCC3=CC=CC=C3)CC2=C1C(=O)[O-]	REAL300007238183	1	50	0.0	-76.89	388.71	9.85	-67.04
COCCOCC[N@H+](C)CCC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238184	0	54	0.0	-78.04	417.74	6.09	-71.95
COCCOCC[N@@H+](C)CCC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238184	1	54	0.0	-79.41	417.79	6.11	-73.30
CN1N=C2CCN(C(=O)CC3(O)CCC[N@H+](C)C3)CC2=C1C(=O)[O-]	REAL300007238189	0	48	0.0	-76.97	347.32	5.71	-71.26
CN1N=C2CCN(C(=O)CC3(O)CCC[N@@H+](C)C3)CC2=C1C(=O)[O-]	REAL300007238189	1	48	0.0	-76.14	357.01	5.87	-70.27
CN1N=C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)CC2=C1C(=O)[O-]	REAL300007238210	1	53	0.0	-73.73	401.64	8.78	-64.95
CN1N=C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)CC2=C1C(=O)[O-]	REAL300007238210	1	53	0.0	-77.31	393.56	8.45	-68.86
CN1N=C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)CC2=C1C(=O)[O-]	REAL300007238211	1	53	0.0	-76.31	388.00	8.08	-68.23
CN1N=C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)CC2=C1C(=O)[O-]	REAL300007238211	1	53	0.0	-72.92	393.85	8.43	-64.49
CCCCCC[N@H+](C)CC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238213	0	52	0.0	-75.13	393.30	9.17	-65.96
CCCCCC[N@@H+](C)CC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238213	1	52	0.0	-75.12	393.33	9.17	-65.95
CN1N=C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2=C1C(=O)[O-]	REAL300007238223	0	45	0.0	-39.46	317.45	6.81	-32.65
CN1N=C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2=C1C(=O)[O-]	REAL300007238231	1	39	0.0	-55.76	324.36	8.81	-46.95
CN1N=C2CCN(C(=O)C[N@H+](C)C3CCSC3)CC2=C1C(=O)[O-]	REAL300007238247	0	45	0.0	-79.88	348.91	7.63	-72.25
CN1N=C2CCN(C(=O)C[N@@H+](C)C3CCSC3)CC2=C1C(=O)[O-]	REAL300007238247	1	45	0.0	-76.32	350.51	7.61	-68.71
CC(C)[NH+]1CCN(CCC(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC1	REAL300007238264	0	55	0.0	-77.66	404.95	6.65	-71.01
CC(C)N1CC[NH+](CCC(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC1	REAL300007238264	1	55	0.0	-78.55	401.46	6.46	-72.09
CC(C)[NH+]1CCN(CCCC(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC1	REAL300007238265	0	58	0.0	-75.74	426.46	7.45	-68.29
CC(C)N1CC[NH+](CCCC(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC1	REAL300007238265	1	58	0.0	-79.15	423.27	7.28	-71.87
CN1N=C2CCN(C(=O)C3CCCC4CCC[N@@H+]43)CC2=C1C(=O)[O-]	REAL300007238266	0	48	0.0	-65.97	354.38	8.15	-57.82
CN1N=C2CCN(C(=O)C3CCCC4CCC[N@H+]43)CC2=C1C(=O)[O-]	REAL300007238266	1	48	0.0	-65.84	352.57	8.02	-57.82
CN1N=C2CCN(C(=O)C3=CN(CC[NH+](C)C)N=C3)CC2=C1C(=O)[O-]	REAL300007238268	0	47	0.0	-83.29	370.49	6.55	-76.74
CN1N=C2CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)CC2=C1C(=O)[O-]	REAL300007238277	0	56	0.0	-82.70	422.41	8.81	-73.89
CN1N=C2CCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)CC2=C1C(=O)[O-]	REAL300007238280	0	53	0.0	-86.63	405.09	8.77	-77.86
CN1N=C2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)CC2=C1C(=O)[O-]	REAL300007238280	1	53	0.0	-82.52	396.04	8.56	-73.96
CC(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007238285	1	51	0.0	-46.47	386.47	9.79	-36.68
CC(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007238285	1	51	0.0	-73.75	381.89	9.66	-64.09
CCC(CC)C(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[NH+]1CCOCC1	REAL300007238302	1	57	0.0	-67.47	391.96	7.46	-60.01
CCCC(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[NH+](C)C	REAL300007238306	0	46	0.0	-73.45	338.19	7.12	-66.33
CN1N=C2CCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)CC2=C1C(=O)[O-]	REAL300007238308	0	54	0.0	-82.80	412.50	10.64	-72.16
CN1N=C2CCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)CC2=C1C(=O)[O-]	REAL300007238308	1	54	0.0	-83.41	414.92	10.73	-72.68
CN1N=C2CCN(C(=O)C3=NN(CC[NH+](C)C)C=C3)CC2=C1C(=O)[O-]	REAL300007238323	0	47	0.0	-59.28	371.48	7.23	-52.05
CN1N=C2CCN(C(=O)C3=CC=NN3CC[NH+](C)C)CC2=C1C(=O)[O-]	REAL300007238324	0	47	0.0	-63.69	366.45	6.63	-57.06
C[C@@H]1[C@H](C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC[N@@H+]1C	REAL300007238330	0	44	0.0	-79.37	325.13	6.76	-72.61
C[C@@H]1[C@H](C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC[N@H+]1C	REAL300007238330	1	44	0.0	-80.37	330.99	6.60	-73.77
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238332	1	48	0.0	-70.62	375.56	8.69	-61.93
CC[C@@H]1[C@@H](C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC[N@@H+]1C	REAL300007238335	0	47	0.0	-78.63	347.12	7.06	-71.57
CC[C@@H]1[C@@H](C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC[N@H+]1C	REAL300007238335	1	47	0.0	-78.39	347.80	7.27	-71.12
CN1N=C2CCN(C(=O)C3=NNC(C4CCC[N@@H+]4C)=C3)CC2=C1C(=O)[O-]	REAL300007238338	1	48	0.0	-65.65	365.00	6.20	-59.45
CN1N=C2CCN(C(=O)C3=NNC(C4CCC[N@H+]4C)=C3)CC2=C1C(=O)[O-]	REAL300007238338	1	48	0.0	-64.51	372.60	6.79	-57.72
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238339	1	43	0.0	-69.70	334.86	7.16	-62.54
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238339	1	43	0.0	-70.08	336.41	7.38	-62.70
CC1C[N@H+](C)CC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)O1	REAL300007238347	1	45	0.0	-89.64	333.64	5.90	-83.74
CC1C[N@@H+](C)CC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)O1	REAL300007238347	1	45	0.0	-87.27	334.12	6.29	-80.98
CN1N=C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)CC2=C1C(=O)[O-]	REAL300007238353	1	50	0.0	-70.43	382.76	7.90	-62.53
CN1N=C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)CC2=C1C(=O)[O-]	REAL300007238353	1	50	0.0	-67.53	381.77	7.66	-59.87
CC1=[NH+]C=CN1CC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238357	1	39	0.0	-70.16	318.00	6.99	-63.17
CC(C[NH+]1CCOCC1)C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238359	0	48	0.0	-78.09	358.55	5.95	-72.14
CN1N=C2CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)CC2=C1C(=O)[O-]	REAL300007238360	0	55	0.0	-82.81	420.13	8.23	-74.58
CC1CC[NH+](CC(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC1	REAL300007238375	0	47	0.0	-74.53	352.51	7.91	-66.62
CC[N@@H+]1CCOC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C1	REAL300007238389	1	45	0.0	-74.73	333.71	6.15	-68.58
CC[N@H+]1CCOC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C1	REAL300007238389	1	45	0.0	-73.87	330.34	6.04	-67.83
CN1N=C2CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)CC2=C1C(=O)[O-]	REAL300007238429	0	54	0.0	-78.25	393.64	9.26	-68.99
CN1N=C2CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)CC2=C1C(=O)[O-]	REAL300007238429	1	54	0.0	-74.61	394.98	9.28	-65.33
CN1N=C2CCN(C(=O)CCC3CCC[N@@H+]3C)CC2=C1C(=O)[O-]	REAL300007238436	0	47	0.0	-76.42	351.48	7.49	-68.93
CN1N=C2CCN(C(=O)CCC3CCC[N@H+]3C)CC2=C1C(=O)[O-]	REAL300007238436	1	47	0.0	-81.99	357.02	7.95	-74.04
CN1N=C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2=C1C(=O)[O-]	REAL300007238449	0	48	0.0	-86.06	334.74	6.99	-79.07
CN1N=C2CCN(C(=O)C3(C)CC(O)C[N@@H+]3C)CC2=C1C(=O)[O-]	REAL300007238451	0	45	0.0	-69.54	325.10	2.63	-66.91
CN1N=C2CCN(C(=O)C3(C)CC(O)C[N@H+]3C)CC2=C1C(=O)[O-]	REAL300007238451	1	45	0.0	-66.01	325.97	2.27	-63.74
CN1N=C2CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC2=C1C(=O)[O-]	REAL300007238452	0	48	0.0	-67.68	353.97	8.20	-59.48
CN1N=C2CCN(C(=O)C3CCC4CCCC[N@H+]43)CC2=C1C(=O)[O-]	REAL300007238452	1	48	0.0	-69.43	349.28	7.88	-61.55
CN1N=C2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC2=C1C(=O)[O-]	REAL300007238459	0	51	0.0	-76.38	358.76	5.93	-70.45
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C=N1	REAL300007238464	0	54	0.0	-90.21	407.62	7.72	-82.49
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C=N1	REAL300007238464	1	54	0.0	-81.51	400.39	7.96	-73.55
CN1N=C2CCN(C(=O)C3=CC(CN4CC[NH+](C)CC4)=CC=C3)CC2=C1C(=O)[O-]	REAL300007238468	0	56	0.0	-60.54	425.86	7.99	-52.55
CN1N=C2CCN(C(=O)C3=CC=C(CN4CC[NH+](C)CC4)C=C3)CC2=C1C(=O)[O-]	REAL300007238469	0	56	0.0	-82.28	423.63	7.78	-74.50
CN1N=C2CCN(C(=O)C3=CC=C(C[NH+]4CCN(C)CC4)C=C3)CC2=C1C(=O)[O-]	REAL300007238469	1	56	0.0	-60.30	423.97	7.84	-52.46
CC(C)[NH+]1CCC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC1	REAL300007238478	0	50	0.0	-51.49	367.17	8.13	-43.36
CN1N=C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2=C1C(=O)[O-]	REAL300007238560	0	42	0.0	-79.83	312.18	5.61	-74.22
CN1N=C2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2=C1C(=O)[O-]	REAL300007238570	0	45	0.0	-85.99	319.46	6.13	-79.86
CN1N=C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2=C1C(=O)[O-]	REAL300007238570	1	45	0.0	-55.42	322.69	6.25	-49.17
CC1CCC(C)[NH+]1CC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238619	0	47	0.0	-69.92	346.69	7.44	-62.48
CN1N=C2CCN(C(=O)C3=CC(C[NH+](C)C)=CC=C3)CC2=C1C(=O)[O-]	REAL300007238620	0	47	0.0	-78.98	365.83	8.54	-70.44
CN1N=C2CCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)CC2=C1C(=O)[O-]	REAL300007238621	0	54	0.0	-76.49	402.29	10.66	-65.83
CN1N=C2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)CC2=C1C(=O)[O-]	REAL300007238621	1	54	0.0	-75.56	410.62	10.51	-65.05
CN1N=C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2=C1C(=O)[O-]	REAL300007238661	0	44	0.0	-75.38	320.56	6.69	-68.69
C#CC[NH+]1CCC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC1	REAL300007238695	0	46	0.0	-54.25	358.03	8.14	-46.11
CCC[N@@H+]1CCCCC1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238697	0	50	0.0	-72.24	361.26	8.04	-64.20
CCC[N@H+]1CCCCC1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238697	1	50	0.0	-68.32	369.49	8.39	-59.93
CN1N=C2CCN(C(=O)C3=CC=CC=C3C[NH+](C)C)CC2=C1C(=O)[O-]	REAL300007238698	0	47	0.0	-63.64	361.73	8.47	-55.17
CC[NH+]1CCN(CCC(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC1	REAL300007238700	0	52	0.0	-79.21	388.21	6.13	-73.08
CCN1CC[NH+](CCC(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)CC1	REAL300007238700	1	52	0.0	-78.66	388.22	6.14	-72.52
CC(C)C(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[NH+]1CCCCC1	REAL300007238702	0	53	0.0	-71.06	371.61	8.85	-62.21
CN1N=C2CCN(C(=O)C(C3=CC=CC=C3)[NH+](C)C)CC2=C1C(=O)[O-]	REAL300007238703	1	47	0.0	-67.41	360.85	8.65	-58.76
CN1N=C2CCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)CC2=C1C(=O)[O-]	REAL300007238707	0	52	0.0	-76.98	400.26	6.76	-70.22
CN1N=C2CCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)CC2=C1C(=O)[O-]	REAL300007238707	1	52	0.0	-53.52	400.21	6.77	-46.75
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238713	1	48	0.0	-69.83	375.05	8.62	-61.21
CN1N=C2CCN(C(=O)C3=C(C[NH+](C)C)C4=CC=CC=C4O3)CC2=C1C(=O)[O-]	REAL300007238714	0	50	0.0	-65.06	386.28	9.20	-55.86
CN1N=C2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2=C1C(=O)[O-]	REAL300007238719	0	51	0.0	-73.53	364.26	9.12	-64.41
CN1N=C2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2=C1C(=O)[O-]	REAL300007238719	1	51	0.0	-69.02	367.25	8.59	-60.43
CC[N@H+](CC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)C1CC1	REAL300007238721	0	44	0.0	-69.31	338.21	7.45	-61.86
CC[N@@H+](CC(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)C1CC1	REAL300007238721	1	44	0.0	-70.86	336.03	7.44	-63.42
CC(C)C(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[NH+]1CC(C)OC(C)C1	REAL300007238750	1	57	0.0	-68.23	402.44	7.95	-60.28
CC(C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[NH+]1CCCCCC1	REAL300007238751	0	50	0.0	-67.78	354.35	7.76	-60.02
CN1N=C2CCN(C(=O)C3=CC=C4NC5=C(C[N@H+](C)CC5)C4=C3)CC2=C1C(=O)[O-]	REAL300007238793	1	52	0.0	-89.25	399.46	8.89	-80.36
CN1N=C2CCN(C(=O)C3=CC=C4NC5=C(C[N@@H+](C)CC5)C4=C3)CC2=C1C(=O)[O-]	REAL300007238793	1	52	0.0	-89.32	400.86	8.92	-80.40
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)O1	REAL300007238844	0	50	0.0	-48.75	385.64	8.59	-40.16
CN1N=C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2=C1C(=O)[O-]	REAL300007238845	0	50	0.0	-79.13	380.93	8.78	-70.35
CC1=CC=C(N2CCC(C(=O)N3CCC4=NN(C)C(C(=O)[O-])=C4C3)CC2)[NH+]=C1	REAL300007238847	1	53	0.0	-51.14	402.34	8.35	-42.79
CN1N=C2CCN(C(=O)C[N@H+](C)CC3=CC=CC=C3)CC2=C1C(=O)[O-]	REAL300007238848	1	47	0.0	-78.56	366.31	9.00	-69.56
CN1N=C2CCN(C(=O)C[N@@H+](C)CC3=CC=CC=C3)CC2=C1C(=O)[O-]	REAL300007238848	1	47	0.0	-78.57	366.26	9.00	-69.57
CC(C)[C@@H](C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1)[NH+](C)C	REAL300007238859	0	46	0.0	-74.00	330.00	7.04	-66.96
CN1N=C2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2=C1C(=O)[O-]	REAL300007238877	1	42	0.0	-81.82	345.48	6.50	-75.32
CN1N=C2CCN(C(=O)C3=NOC(C[NH+](C)C)=C3)CC2=C1C(=O)[O-]	REAL300007238907	1	43	0.0	-69.51	344.92	6.69	-62.82
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238911	0	54	0.0	-82.89	412.26	10.34	-72.55
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238911	1	54	0.0	-85.15	411.72	10.28	-74.87
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238927	0	47	0.0	-69.23	341.90	7.20	-62.03
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007238927	1	47	0.0	-68.85	344.84	7.33	-61.52
CN1N=C2CCN(C(=O)C=CC3=CC=C(OCC[NH+](C)C)C=C3)CC2=C1C(=O)[O-]	REAL300007238935	0	55	0.0	-66.90	430.98	9.91	-56.99
CN1N=C2CCN(C(=O)COC3CC[NH+](C)CC3)CC2=C1C(=O)[O-]	REAL300007238954	0	48	0.0	-84.76	369.56	7.59	-77.17
CN1N=C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)CC2=C1C(=O)[O-]	REAL300007238959	0	51	0.0	-51.80	391.91	9.09	-42.71
CCC[N@@H+]1CCCC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C1	REAL300007239157	0	50	0.0	-76.12	372.27	8.31	-67.81
CCC[N@H+]1CCCC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C1	REAL300007239157	1	50	0.0	-66.49	363.81	8.42	-58.07
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007239190	0	50	0.0	-71.73	367.31	8.04	-63.69
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007239190	1	50	0.0	-72.15	361.27	8.58	-63.57
CN1N=C2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2=C1C(=O)[O-]	REAL300007239191	0	48	0.0	-74.89	363.34	4.59	-70.30
CN1N=C2CCN(C(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)CC2=C1C(=O)[O-]	REAL300007239299	0	55	0.0	-83.29	414.00	10.64	-72.65
CN1N=C2CCN(C(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)CC2=C1C(=O)[O-]	REAL300007239299	1	55	0.0	-88.10	415.68	10.61	-77.49
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C1	REAL300007239433	0	50	0.0	-74.25	368.45	8.12	-66.13
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C1	REAL300007239433	1	50	0.0	-78.97	367.98	8.13	-70.84
CN1N=C2CCN(C(=O)C3C[N@H+](C)CC3C(F)(F)F)CC2=C1C(=O)[O-]	REAL300007239434	0	44	0.0	-85.56	340.17	6.99	-78.57
CN1N=C2CCN(C(=O)C3C[N@@H+](C)CC3C(F)(F)F)CC2=C1C(=O)[O-]	REAL300007239434	1	44	0.0	-79.22	338.80	7.31	-71.91
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)N1	REAL300007239459	1	45	0.0	-71.17	359.84	6.76	-64.41
CN1N=C2CCN(C(=O)C3=CC(CC[NH+](C)C)=CC=C3)CC2=C1C(=O)[O-]	REAL300007239966	0	50	0.0	-57.15	388.66	9.38	-47.77
CN1N=C2CCN(C(=O)C3=CC=C(OCC[NH+](C)C)C=C3)CC2=C1C(=O)[O-]	REAL300007239973	0	51	0.0	-84.51	395.61	8.31	-76.20
CN1N=C2CCN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)CC2=C1C(=O)[O-]	REAL300007240071	0	57	0.0	-78.84	429.28	11.41	-67.43
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC4=NN(C)C(C(=O)[O-])=C4C3)C=C2)CCO1	REAL300007240073	1	55	0.0	-88.45	419.90	8.74	-79.71
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC4=NN(C)C(C(=O)[O-])=C4C3)C=C2)CCO1	REAL300007240073	1	55	0.0	-61.69	421.50	8.80	-52.89
CN1N=C2CCN(C(=O)[C@H]3C[C@H]([NH+](C)C)C3)CC2=C1C(=O)[O-]	REAL300007240118	0	44	0.0	-77.74	338.48	7.13	-70.61
CN1N=C2CCN(C(=O)[C@H]3CC[C@@H]([NH+](C)C)CC3)CC2=C1C(=O)[O-]	REAL300007240122	0	50	0.0	-69.23	358.50	7.89	-61.34
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C1	REAL300007240193	0	53	0.0	-67.25	381.22	9.11	-58.14
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C1	REAL300007240193	1	53	0.0	-67.25	381.22	9.11	-58.14
CC[N@@H+]1CCCC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C1	REAL300007240194	0	47	0.0	-71.71	339.06	7.39	-64.32
CC[N@H+]1CCCC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C1	REAL300007240194	1	47	0.0	-71.71	339.06	7.39	-64.32
CN1N=C2CCN(C(=O)C3CCC[N@H+](C)C3)CC2=C1C(=O)[O-]	REAL300007240198	0	44	0.0	-77.17	333.16	6.90	-70.27
CN1N=C2CCN(C(=O)C3CCC[N@@H+](C)C3)CC2=C1C(=O)[O-]	REAL300007240198	1	44	0.0	-77.17	333.16	6.90	-70.27
CN(C)CC1=CC=C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)O1	REAL300007240200	0	44	0.0	-52.69	349.83	7.12	-45.57
CN1N=C2CCN(C(=O)C3=CC=C(C[NH+](C)C)O3)CC2=C1C(=O)[O-]	REAL300007240200	1	44	0.0	-52.69	349.83	7.12	-45.57
CN1N=C2CCN(C(=O)C(C)(C)C3CCC[N@H+](C)C3)CC2=C1C(=O)[O-]	REAL300007240206	0	53	0.0	-81.38	360.25	7.51	-73.87
CN1N=C2CCN(C(=O)C(C)(C)C3CCC[N@@H+](C)C3)CC2=C1C(=O)[O-]	REAL300007240206	1	53	0.0	-81.38	360.25	7.51	-73.87
CN1N=C2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2=C1C(=O)[O-]	REAL300007240209	0	46	0.0	-72.52	333.76	8.19	-64.33
CC1(C)CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC(C(=O)[O-])O1	REAL300007241521	0	54	0.0	-63.77	402.13	10.71	-53.06
CC1(C)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC(C(=O)[O-])O1	REAL300007242266	0	51	0.0	-54.25	383.48	10.14	-44.11
CC1(C)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC(C(=O)[O-])O1	REAL300007242266	1	51	0.0	-51.00	377.72	9.69	-41.31
CC1(C)CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC(C(=O)[O-])O1	REAL300007243114	1	51	0.0	-53.67	394.79	10.24	-43.43
CC1(C)CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC(C(=O)[O-])O1	REAL300007243114	1	51	0.0	-56.34	398.81	10.62	-45.72
CC1(C)CN(C(=O)C2CC[NH+](C3CC3)CC2)CC(C(=O)[O-])O1	REAL300007243190	0	48	0.0	-59.23	350.80	8.40	-50.83
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)CN12	REAL300007243223	1	46	0.0	-55.01	350.88	8.27	-46.74
CC1(C)CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC(C(=O)[O-])O1	REAL300007243224	0	54	0.0	-74.71	394.45	10.14	-64.57
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)CC2)=CS1	REAL300007243298	1	53	0.0	-61.52	410.17	8.52	-53.00
CC(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)N1CC[NH+](C)CC1	REAL300007243299	1	49	0.0	-63.14	357.55	5.54	-57.60
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=C1	REAL300007243384	0	57	0.0	-67.62	435.98	10.42	-57.20
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=C1	REAL300007243396	0	57	0.0	-71.42	435.14	12.35	-59.07
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=C1	REAL300007243396	1	57	0.0	-71.30	436.00	12.38	-58.92
CC1(C)CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CC(C(=O)[O-])O1	REAL300007243398	0	57	0.0	-60.63	407.03	10.74	-49.89
CC1(C)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC(C(=O)[O-])O1	REAL300007243457	0	39	0.0	-60.80	316.82	8.99	-51.81
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CCCCC1	REAL300007243487	0	53	0.0	-56.18	355.20	8.69	-47.49
C[N@H+](CCC(=O)N1CC(C(=O)[O-])OC(C)(C)C1)C1CCCCC1	REAL300007243491	0	53	0.0	-58.64	380.33	9.27	-49.37
C[N@@H+](CCC(=O)N1CC(C(=O)[O-])OC(C)(C)C1)C1CCCCC1	REAL300007243491	1	53	0.0	-58.72	380.37	9.30	-49.42
CC1(C)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC(C(=O)[O-])O1	REAL300007243513	1	54	0.0	-55.79	397.71	10.50	-45.29
CC1(C)CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC(C(=O)[O-])O1	REAL300007243513	1	54	0.0	-56.45	394.31	10.37	-46.08
CC1(C)CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC(C(=O)[O-])O1	REAL300007243514	1	51	0.0	-54.56	384.47	9.78	-44.78
CC1(C)CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC(C(=O)[O-])O1	REAL300007243514	1	51	0.0	-57.30	388.49	10.17	-47.13
CC1(C)CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC(C(=O)[O-])O1	REAL300007243570	0	47	0.0	-67.79	371.52	7.93	-59.86
CC1(C)CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC(C(=O)[O-])O1	REAL300007243598	0	54	0.0	-51.34	378.10	9.39	-41.95
CC1(C)CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC(C(=O)[O-])O1	REAL300007243598	1	54	0.0	-51.75	371.29	9.16	-42.59
CC1(C)CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC(C(=O)[O-])O1	REAL300007243599	0	55	0.0	-63.96	393.24	7.80	-56.16
CC1=[NH+]C=CN1CCCC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007243631	1	45	0.0	-58.69	352.92	8.55	-50.14
CC1(C)CN(C(=O)CCCC[NH+]2CCOCC2)CC(C(=O)[O-])O1	REAL300007243632	1	51	0.0	-65.10	380.18	7.26	-57.84
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=C1)C(C)C	REAL300007243634	0	56	0.0	-64.21	406.25	10.37	-53.84
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=C1)C(C)C	REAL300007243634	1	56	0.0	-64.32	398.75	9.97	-54.35
CC1(C)CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC(C(=O)[O-])O1	REAL300007243658	0	51	0.0	-60.93	383.52	9.99	-50.94
CC1(C)CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC(C(=O)[O-])O1	REAL300007243658	1	51	0.0	-60.90	383.55	9.96	-50.94
CC1(C)CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC(C(=O)[O-])O1	REAL300007243659	0	52	0.0	-65.83	385.18	9.42	-56.41
C[NH+]1CCN(C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C2=CC=CC=C2)CC1	REAL300007243687	1	56	0.0	-62.78	407.10	7.91	-54.87
CC1(C)CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC(C(=O)[O-])O1	REAL300007243688	0	55	0.0	-58.60	374.93	7.34	-51.26
CCC(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)[NH+](CC)CC	REAL300007243692	0	49	0.0	-51.46	343.72	7.77	-43.69
CC(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300007243694	0	50	0.0	-55.35	374.35	9.55	-45.80
CC(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007243694	1	50	0.0	-54.54	374.65	9.56	-44.98
CC1(C)CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC(C(=O)[O-])O1	REAL300007243705	0	57	0.0	-58.83	417.10	11.74	-47.09
CC1(C)CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC(C(=O)[O-])O1	REAL300007243705	1	57	0.0	-72.20	416.00	11.64	-60.56
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=N1	REAL300007243733	0	46	0.0	-64.70	354.05	7.19	-57.51
CCC[NH+](CCC)CCCC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007243744	0	55	0.0	-61.32	404.47	9.89	-51.43
CC1(C)CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC(C(=O)[O-])O1	REAL300007243745	1	55	0.0	-51.14	406.03	7.37	-43.77
CC[N@H+](C)C(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)C1=CC=CC=C1	REAL300007243746	0	50	0.0	-51.65	367.95	9.49	-42.16
CC[N@@H+](C)C(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)C1=CC=CC=C1	REAL300007243746	1	50	0.0	-53.27	361.79	9.36	-43.91
CC[NH+](CC)C(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)C1=CC=CC=C1	REAL300007243751	0	53	0.0	-52.49	377.57	9.97	-42.52
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007243758	1	45	0.0	-53.12	351.33	8.38	-44.74
C[NH+](C)C(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)C1=CC=C(Cl)C=C1	REAL300007243760	1	47	0.0	-56.31	370.05	9.39	-46.92
CC1(C)CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC(C(=O)[O-])O1	REAL300007243774	0	51	0.0	-64.83	384.16	9.94	-54.89
CC1(C)CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC(C(=O)[O-])O1	REAL300007243781	0	54	0.0	-79.66	401.89	10.68	-68.98
CCN1CCC([NH+]2CCC(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)CC2)CC1	REAL300007243788	0	62	0.0	-60.73	436.21	8.48	-52.25
CC1C[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)C=C2)CC(C)O1	REAL300007243795	1	58	0.0	-68.99	434.20	9.68	-59.31
CC1(C)CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC(C(=O)[O-])O1	REAL300007243806	1	55	0.0	-66.69	416.31	10.21	-56.48
CC1(C)CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC(C(=O)[O-])O1	REAL300007243806	1	55	0.0	-66.42	405.83	9.68	-56.74
CC1(C)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC(C(=O)[O-])O1	REAL300007243822	0	54	0.0	-51.02	391.04	10.46	-40.56
CC1(C)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC(C(=O)[O-])O1	REAL300007243822	1	54	0.0	-50.42	398.65	10.72	-39.70
CC1=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=NN1C1=CC=[NH+]C=C1	REAL300007243824	1	45	0.0	-83.57	358.21	7.20	-76.37
CC1(C)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC(C(=O)[O-])O1	REAL300007243832	0	54	0.0	-65.52	400.91	10.65	-54.87
CC1(C)CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC(C(=O)[O-])O1	REAL300007243844	1	47	0.0	-73.40	363.60	8.13	-65.27
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=C1	REAL300007243845	0	50	0.0	-68.45	381.84	9.63	-58.82
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007243856	1	43	0.0	-50.98	333.96	6.20	-44.78
CC1(C)CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC(C(=O)[O-])O1	REAL300007243857	1	52	0.0	-86.97	392.45	9.45	-77.52
CC1(C)CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC(C(=O)[O-])O1	REAL300007243857	1	52	0.0	-57.81	391.58	9.43	-48.38
CC(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007243871	0	60	0.0	-54.67	438.26	12.03	-42.64
CC(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)[NH+]1CCSCC1	REAL300007243912	1	45	0.0	-55.00	338.83	7.54	-47.46
C[N@H+](CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1)CC(C)(C)C	REAL300007243918	0	49	0.0	-55.07	349.78	8.01	-47.06
C[N@@H+](CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1)CC(C)(C)C	REAL300007243918	1	49	0.0	-54.60	351.69	8.17	-46.43
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007243920	0	50	0.0	-60.18	381.09	10.04	-50.14
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007243920	1	50	0.0	-60.18	381.09	10.04	-50.14
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007243921	0	54	0.0	-60.22	410.08	6.30	-53.92
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007243921	1	54	0.0	-60.85	410.13	6.29	-54.56
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007243925	0	48	0.0	-59.88	349.47	6.10	-53.78
C[N@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007243925	1	48	0.0	-61.09	339.71	5.92	-55.17
CC1(C)CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(C(=O)[O-])O1	REAL300007243935	0	59	0.0	-66.06	436.25	9.81	-56.25
CC1(C)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC(C(=O)[O-])O1	REAL300007243936	1	53	0.0	-54.20	394.28	9.03	-45.17
CC1(C)CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC(C(=O)[O-])O1	REAL300007243936	1	53	0.0	-55.78	393.29	8.95	-46.83
CC1(C)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC(C(=O)[O-])O1	REAL300007243937	1	53	0.0	-53.02	393.14	8.86	-44.16
CC1(C)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC(C(=O)[O-])O1	REAL300007243937	1	53	0.0	-55.22	394.16	8.99	-46.23
CCCCCC[N@H+](C)CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007243939	0	52	0.0	-57.05	385.67	9.36	-47.69
CCCCCC[N@@H+](C)CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007243939	1	52	0.0	-56.98	385.68	9.38	-47.60
CC1(C)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC(C(=O)[O-])O1	REAL300007243951	1	39	0.0	-62.88	316.66	9.01	-53.87
C[N@H+](CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1)C1CCSC1	REAL300007243969	0	45	0.0	-60.44	341.40	7.85	-52.59
C[N@@H+](CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1)C1CCSC1	REAL300007243969	1	45	0.0	-60.28	341.18	7.87	-52.41
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CC1	REAL300007243985	0	55	0.0	-59.87	397.30	6.85	-53.02
CC(C)N1CC[NH+](CCC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CC1	REAL300007243985	1	55	0.0	-59.12	393.80	6.65	-52.47
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CC1	REAL300007243986	0	58	0.0	-62.09	418.76	7.66	-54.43
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CC1	REAL300007243986	1	58	0.0	-61.74	415.61	7.47	-54.27
CC1(C)CN(C(=O)C2CCCC3CCC[N@@H+]32)CC(C(=O)[O-])O1	REAL300007243987	0	48	0.0	-52.27	334.86	7.70	-44.57
CC1(C)CN(C(=O)C2CCCC3CCC[N@H+]32)CC(C(=O)[O-])O1	REAL300007243987	1	48	0.0	-50.35	338.16	8.03	-42.32
C[NH+](C)CCN1C=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=N1	REAL300007243989	0	47	0.0	-91.62	363.12	6.77	-84.85
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C(=O)[O-])OC(C)(C)C3)CC2)=C1	REAL300007243996	0	59	0.0	-63.25	436.12	9.69	-53.56
CC1(C)CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(C(=O)[O-])O1	REAL300007243998	0	56	0.0	-63.31	414.75	9.02	-54.29
CC1(C)CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC(C(=O)[O-])O1	REAL300007244001	0	53	0.0	-61.33	397.51	8.98	-52.35
CC1(C)CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC(C(=O)[O-])O1	REAL300007244001	1	53	0.0	-63.60	397.45	8.88	-54.72
CC(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007244006	1	51	0.0	-53.55	378.48	9.96	-43.59
CC(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007244006	1	51	0.0	-53.73	377.70	9.90	-43.83
CC1(C)CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC(C(=O)[O-])O1	REAL300007244034	0	54	0.0	-64.31	407.02	10.91	-53.40
CC1(C)CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC(C(=O)[O-])O1	REAL300007244034	1	54	0.0	-64.25	407.40	10.93	-53.32
C[NH+](C)CCN1C=CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=N1	REAL300007244049	0	47	0.0	-93.03	363.49	7.43	-85.60
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244050	0	47	0.0	-63.82	357.92	6.82	-57.00
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244056	1	48	0.0	-54.06	367.91	8.89	-45.17
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=NN1	REAL300007244061	1	48	0.0	-70.52	364.55	6.99	-63.53
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=NN1	REAL300007244061	1	48	0.0	-70.07	365.15	6.98	-63.09
CC1C[N@H+](C)CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)O1	REAL300007244067	1	45	0.0	-57.01	330.20	6.66	-50.35
CC1C[N@@H+](C)CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)O1	REAL300007244067	1	45	0.0	-58.57	329.38	6.59	-51.98
CC1(C)CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC(C(=O)[O-])O1	REAL300007244073	0	54	0.0	-65.18	408.36	10.76	-54.42
CC1(C)CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC(C(=O)[O-])O1	REAL300007244073	1	54	0.0	-63.71	408.07	10.74	-52.97
CC1(C)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC(C(=O)[O-])O1	REAL300007244074	1	50	0.0	-50.94	375.19	8.12	-42.82
CC1(C)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC(C(=O)[O-])O1	REAL300007244074	1	50	0.0	-52.66	374.10	7.92	-44.74
CC(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244079	0	48	0.0	-60.01	350.72	6.11	-53.90
CC1(C)CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC(C(=O)[O-])O1	REAL300007244080	0	55	0.0	-62.62	412.47	8.43	-54.19
CC[N@@H+]1CCOC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007244102	1	45	0.0	-85.61	333.57	6.54	-79.07
CC[N@H+]1CCOC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007244102	1	45	0.0	-75.67	325.85	6.35	-69.32
CC1(C)CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC(C(=O)[O-])O1	REAL300007244136	0	54	0.0	-58.43	386.11	9.47	-48.96
CC1(C)CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC(C(=O)[O-])O1	REAL300007244136	1	54	0.0	-57.72	386.30	9.47	-48.25
CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)CC(C(=O)[O-])O1	REAL300007244155	0	48	0.0	-79.11	326.96	7.19	-71.92
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244159	0	45	0.0	-58.42	321.40	2.57	-55.85
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244159	1	45	0.0	-58.35	324.20	3.12	-55.23
CC1(C)CN(C(=O)C2CCC3CCCC[N@@H+]32)CC(C(=O)[O-])O1	REAL300007244160	0	48	0.0	-50.46	346.17	8.39	-42.07
CC1(C)CN(C(=O)C2CCC3CCCC[N@H+]32)CC(C(=O)[O-])O1	REAL300007244160	1	48	0.0	-50.45	346.29	8.40	-42.05
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244168	0	51	0.0	-60.35	353.19	6.21	-54.14
CC(C)[N@@H+]1CCC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C(C2=CN(C)N=C2)C1	REAL300007244173	0	60	0.0	-64.99	420.02	8.86	-56.13
CC(C)[N@H+]1CCC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C(C2=CN(C)N=C2)C1	REAL300007244173	1	60	0.0	-64.61	442.16	9.58	-55.03
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=N1	REAL300007244174	0	54	0.0	-68.84	399.97	7.95	-60.89
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=N1	REAL300007244174	1	54	0.0	-67.25	393.09	8.14	-59.11
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)=C2)CC1	REAL300007244179	0	56	0.0	-70.28	418.08	8.22	-62.06
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)C=C2)CC1	REAL300007244180	0	56	0.0	-65.75	417.96	8.22	-57.53
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)C=C2)CC1	REAL300007244180	1	56	0.0	-67.92	417.43	8.10	-59.82
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=C1	REAL300007244181	0	57	0.0	-68.08	423.18	9.90	-58.18
CC(C)[NH+]1CCC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CC1	REAL300007244188	0	50	0.0	-81.04	359.56	8.34	-72.70
CC1(C)CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CC(C(=O)[O-])O1	REAL300007244307	0	58	0.0	-67.43	432.57	7.96	-59.47
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=C1	REAL300007244311	0	47	0.0	-67.26	358.29	8.75	-58.51
CC1(C)CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC(C(=O)[O-])O1	REAL300007244312	0	54	0.0	-56.19	402.38	10.72	-45.47
CC1(C)CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC(C(=O)[O-])O1	REAL300007244312	1	54	0.0	-55.04	393.38	10.62	-44.42
C#CC[NH+]1CCC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CC1	REAL300007244380	0	46	0.0	-86.44	350.41	8.36	-78.08
CCC[N@@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244382	0	50	0.0	-51.50	361.76	8.60	-42.90
CCC[N@H+]1CCCCC1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244382	1	50	0.0	-52.23	361.66	8.60	-43.63
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244384	0	47	0.0	-58.97	357.11	8.81	-50.16
CC[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CC1	REAL300007244386	0	52	0.0	-62.29	380.52	6.33	-55.96
CCN1CC[NH+](CCC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CC1	REAL300007244386	1	52	0.0	-59.26	380.56	6.33	-52.93
CC(C)C(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)[NH+]1CCCCC1	REAL300007244388	0	53	0.0	-50.98	365.94	9.18	-41.80
C[NH+](C)C(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)C1=CC=CC=C1	REAL300007244389	1	47	0.0	-54.06	350.05	8.82	-45.24
CC1(C)CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC(C(=O)[O-])O1	REAL300007244393	0	52	0.0	-59.36	392.60	6.96	-52.40
CC1(C)CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC(C(=O)[O-])O1	REAL300007244393	1	52	0.0	-58.18	389.36	7.09	-51.09
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244399	1	48	0.0	-53.81	367.33	8.82	-44.99
C[NH+](C)CC1=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)OC2=CC=CC=C21	REAL300007244400	0	50	0.0	-68.65	378.09	9.55	-59.10
CC1(C)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC(C(=O)[O-])O1	REAL300007244405	0	51	0.0	-52.55	361.47	8.96	-43.59
CC1(C)CN(C(=O)C2CCC[N@H+]2C2CCCC2)CC(C(=O)[O-])O1	REAL300007244405	1	51	0.0	-52.12	347.45	8.32	-43.80
CC(C)C(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)[NH+]1CC(C)OC(C)C1	REAL300007244433	1	57	0.0	-52.53	399.89	8.12	-44.41
CC(C(=O)N1CC(C(=O)[O-])OC(C)(C)C1)[NH+]1CCCCCC1	REAL300007244434	0	50	0.0	-52.68	349.58	8.05	-44.63
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)=CC=C1N2	REAL300007244469	1	52	0.0	-74.28	395.39	9.22	-65.06
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)=CC=C1N2	REAL300007244469	1	52	0.0	-89.78	394.59	9.21	-80.57
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)O1	REAL300007244527	0	50	0.0	-56.98	377.97	8.76	-48.22
CC1(C)CN(C(=O)CCCC[NH+]2CCCC2)CC(C(=O)[O-])O1	REAL300007244528	0	50	0.0	-62.28	373.24	8.98	-53.30
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)CC2)[NH+]=C1	REAL300007244530	1	53	0.0	-78.60	395.48	8.60	-70.00
C[N@H+](CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1)CC1=CC=CC=C1	REAL300007244531	1	47	0.0	-58.11	358.60	9.19	-48.92
C[N@@H+](CC(=O)N1CC(C(=O)[O-])OC(C)(C)C1)CC1=CC=CC=C1	REAL300007244531	1	47	0.0	-58.22	358.60	9.21	-49.01
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)C=C2)CC1	REAL300007244535	0	59	0.0	-66.73	427.44	9.16	-57.57
CC1(C)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC(C(=O)[O-])O1	REAL300007244550	1	42	0.0	-72.48	338.09	6.71	-65.77
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=NO1	REAL300007244579	1	43	0.0	-75.12	337.21	6.93	-68.19
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244584	0	54	0.0	-61.08	401.85	10.89	-50.19
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244584	1	54	0.0	-61.76	396.81	10.48	-51.28
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=C1	REAL300007244608	0	55	0.0	-86.44	423.21	10.12	-76.32
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CC1	REAL300007244625	0	48	0.0	-66.01	361.91	7.79	-58.22
CC1(C)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC(C(=O)[O-])O1	REAL300007244631	0	51	0.0	-58.57	383.74	9.15	-49.42
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)[C@@H](C(F)(F)F)C1	REAL300007244672	0	53	0.0	-56.92	394.99	8.79	-48.13
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)[C@@H](C(F)(F)F)C1	REAL300007244672	1	53	0.0	-55.78	391.37	8.63	-47.15
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007244815	0	50	0.0	-53.59	355.98	8.45	-45.14
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007244815	1	50	0.0	-69.17	355.96	8.60	-60.57
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244848	0	50	0.0	-52.13	361.96	8.48	-43.65
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007244848	1	50	0.0	-52.59	363.28	8.61	-43.98
CC1(C)CN(C(=O)C[NH+]2CCC(CO)CC2)CC(C(=O)[O-])O1	REAL300007244849	1	48	0.0	-56.78	355.57	4.79	-51.99
CC1(C)CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC(C(=O)[O-])O1	REAL300007244946	0	55	0.0	-58.88	405.14	10.82	-48.06
CC1(C)CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC(C(=O)[O-])O1	REAL300007244946	1	55	0.0	-58.33	406.55	10.77	-47.56
CC1(C)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC(C(=O)[O-])O1	REAL300007244984	1	54	0.0	-54.18	405.63	10.87	-43.31
CC1(C)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC(C(=O)[O-])O1	REAL300007244984	1	54	0.0	-54.97	394.26	10.31	-44.66
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007245072	0	50	0.0	-55.05	351.17	8.37	-46.68
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007245072	1	50	0.0	-54.25	360.35	8.35	-45.90
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C(C(F)(F)F)C1	REAL300007245073	0	44	0.0	-59.12	341.07	7.14	-51.98
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C(C(F)(F)F)C1	REAL300007245073	1	44	0.0	-69.52	326.85	6.98	-62.54
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)N1	REAL300007245099	1	45	0.0	-54.34	352.15	6.95	-47.39
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=C1	REAL300007245578	0	50	0.0	-64.00	381.83	9.64	-54.36
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=C1	REAL300007245585	0	51	0.0	-69.33	389.15	8.57	-60.76
CC1(C)CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC(C(=O)[O-])O1	REAL300007245674	0	57	0.0	-65.40	421.68	11.62	-53.78
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)C=C2)CCO1	REAL300007245676	1	55	0.0	-69.59	413.57	9.00	-60.59
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)C=C2)CCO1	REAL300007245676	1	55	0.0	-69.20	414.50	9.04	-60.16
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)CC1	REAL300007245721	0	50	0.0	-71.59	350.72	8.07	-63.52
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007245788	0	53	0.0	-54.66	373.46	9.12	-45.54
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007245788	1	53	0.0	-54.66	373.46	9.12	-45.54
CN(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)O1	REAL300007245794	0	44	0.0	-61.17	343.21	7.38	-53.79
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)O1	REAL300007245794	1	44	0.0	-61.17	343.21	7.38	-53.79
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007245800	0	53	0.0	-56.29	363.52	8.06	-48.23
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C1	REAL300007245800	1	53	0.0	-56.29	363.52	8.06	-48.23
CC1(C)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC(C(=O)[O-])O1	REAL300007245803	0	46	0.0	-47.45	341.48	8.16	-39.29
CC1=NN=C(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N1C	REAL300007245904	0	48	0.0	-58.85	375.10	7.81	-51.04
CCCN(CC1=CC(F)=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007246012	0	49	0.0	-46.42	383.54	11.30	-35.12
CCCN(CC1=CC(F)=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007246012	1	49	0.0	-46.40	375.80	11.28	-35.12
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CCC3)CC(F)(F)C2)C1	REAL300007246310	0	47	0.0	-44.96	340.03	8.75	-36.21
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3(CCC3)CC(F)(F)C2)C1	REAL300007246310	1	47	0.0	-48.15	350.74	9.31	-38.84
O=C([O-])C1(C(F)F)CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300007247541	0	53	0.0	-71.18	396.61	11.26	-59.92
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300007248220	0	50	0.0	-55.37	373.07	10.26	-45.11
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300007248220	1	50	0.0	-59.75	373.29	10.27	-49.48
O=C([O-])C1(C(F)F)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300007249149	0	47	0.0	-63.29	342.21	8.81	-54.48
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300007249178	0	44	0.0	-52.93	331.84	8.48	-44.45
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300007249178	1	44	0.0	-61.92	326.08	8.36	-53.56
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)CN12	REAL300007249184	1	45	0.0	-66.12	344.78	8.76	-57.36
O=C([O-])C1(C(F)F)CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300007249185	0	53	0.0	-60.03	386.34	10.56	-49.47
C[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249267	0	43	0.0	-64.32	315.57	7.62	-56.70
C[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249267	1	43	0.0	-61.09	317.34	7.76	-53.33
CC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)N1CC[NH+](C)CC1	REAL300007249268	1	48	0.0	-70.37	345.90	5.82	-64.55
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249312	0	43	0.0	-64.30	315.98	7.63	-56.67
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249312	1	43	0.0	-52.63	309.20	7.48	-45.15
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=C1	REAL300007249359	0	56	0.0	-68.69	430.61	10.98	-57.71
CC1(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007249371	0	56	0.0	-63.16	400.97	11.23	-51.93
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007249405	0	43	0.0	-63.29	319.61	7.68	-55.61
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300007249431	0	38	0.0	-72.80	303.79	9.22	-63.58
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CCCCC1	REAL300007249465	0	52	0.0	-63.60	345.92	9.15	-54.45
C[N@H+](CCC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1CCCCC1	REAL300007249470	0	52	0.0	-63.61	375.10	9.82	-53.79
C[N@@H+](CCC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1CCCCC1	REAL300007249470	1	52	0.0	-74.66	374.62	9.73	-64.93
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300007249488	1	53	0.0	-72.79	399.70	11.32	-61.47
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300007249488	1	53	0.0	-75.28	391.71	10.96	-64.32
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300007249489	1	50	0.0	-67.17	379.64	10.34	-56.83
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300007249489	1	50	0.0	-62.93	381.83	10.56	-52.37
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007249541	0	43	0.0	-63.29	319.61	7.68	-55.61
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300007249546	0	46	0.0	-69.41	363.06	8.43	-60.98
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300007249570	0	53	0.0	-64.60	365.60	9.69	-54.91
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300007249570	1	53	0.0	-52.86	371.74	9.91	-42.95
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300007249571	0	54	0.0	-56.68	377.81	8.06	-48.62
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249604	1	44	0.0	-61.00	347.67	9.13	-51.87
O=C([O-])C1(C(F)F)CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300007249605	1	50	0.0	-77.10	374.47	7.73	-69.37
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=C1)C(C)C	REAL300007249608	0	55	0.0	-73.42	399.43	10.95	-62.47
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=C1)C(C)C	REAL300007249608	1	55	0.0	-73.40	392.27	10.50	-62.90
O=C([O-])C1(C(F)F)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300007249656	0	50	0.0	-74.67	375.79	10.36	-64.31
O=C([O-])C1(C(F)F)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300007249656	1	50	0.0	-74.83	377.72	10.42	-64.41
O=C([O-])C1(C(F)F)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300007249657	0	51	0.0	-71.33	376.58	9.83	-61.50
C[NH+]1CCN(C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C2=CC=CC=C2)CC1	REAL300007249685	1	55	0.0	-72.13	408.77	9.16	-62.97
O=C([O-])C1(C(F)F)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300007249686	0	54	0.0	-62.87	373.42	8.08	-54.79
CCC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[NH+](CC)CC	REAL300007249690	0	48	0.0	-65.94	338.66	8.68	-57.26
CC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300007249692	0	49	0.0	-59.53	368.59	10.07	-49.46
CC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300007249692	1	49	0.0	-58.71	369.19	10.09	-48.62
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300007249704	0	56	0.0	-75.53	419.31	12.09	-63.44
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300007249704	1	56	0.0	-76.49	416.56	11.92	-64.57
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=N1	REAL300007249727	0	45	0.0	-76.71	349.59	7.42	-69.29
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249736	0	54	0.0	-73.81	398.75	10.32	-63.49
O=C([O-])C1(C(F)F)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC1	REAL300007249737	0	54	0.0	-70.85	395.61	7.42	-63.43
CC[N@H+](C)C(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1=CC=CC=C1	REAL300007249738	0	49	0.0	-50.57	366.25	10.13	-40.44
CC[N@@H+](C)C(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1=CC=CC=C1	REAL300007249738	1	49	0.0	-53.64	364.39	10.08	-43.56
C[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007249740	1	41	0.0	-74.73	301.86	6.23	-68.50
C[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007249740	1	41	0.0	-77.74	302.17	6.16	-71.58
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1=CC=CC=C1	REAL300007249743	0	52	0.0	-68.72	372.91	10.40	-58.32
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249752	1	44	0.0	-54.65	342.46	8.93	-45.72
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1=CC=C(Cl)C=C1	REAL300007249757	1	46	0.0	-73.04	364.81	9.93	-63.11
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300007249770	0	50	0.0	-78.75	376.83	10.48	-68.27
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300007249778	0	53	0.0	-73.60	394.91	11.10	-62.50
CCC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[N@@H+]1CCOC(CC)C1	REAL300007249781	1	53	0.0	-54.34	381.05	8.22	-46.12
CCC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[N@H+]1CCOC(CC)C1	REAL300007249781	1	53	0.0	-62.43	382.75	8.27	-54.16
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007249785	0	43	0.0	-61.55	324.24	7.81	-53.74
C[NH+](C)CCCCC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249795	0	45	0.0	-75.34	341.57	8.27	-67.07
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[NH+](C)C	REAL300007249804	0	45	0.0	-68.35	319.23	7.77	-60.58
O=C([O-])C1(C(F)F)CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300007249806	1	54	0.0	-79.75	404.55	10.72	-69.03
O=C([O-])C1(C(F)F)CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300007249806	1	54	0.0	-82.00	410.54	10.66	-71.34
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300007249818	0	53	0.0	-65.57	382.23	10.72	-54.85
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300007249818	1	53	0.0	-70.15	385.31	10.89	-59.26
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300007249820	1	44	0.0	-80.25	351.80	7.76	-72.49
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300007249828	0	53	0.0	-75.71	395.24	11.20	-64.51
O=C([O-])C1(C(F)F)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300007249842	1	46	0.0	-78.81	357.62	8.54	-70.27
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=C1	REAL300007249843	0	49	0.0	-71.27	374.80	10.15	-61.12
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249855	1	42	0.0	-59.15	328.75	6.81	-52.34
O=C([O-])C1(C(F)F)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300007249857	1	51	0.0	-58.68	374.93	9.69	-48.99
O=C([O-])C1(C(F)F)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300007249857	1	51	0.0	-56.86	379.37	9.81	-47.05
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1CCC1	REAL300007249888	0	43	0.0	-63.66	323.06	8.15	-55.51
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1CCC1	REAL300007249888	1	43	0.0	-56.78	322.94	8.17	-48.61
CC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[NH+]1CCSCC1	REAL300007249914	1	44	0.0	-58.43	332.60	8.09	-50.34
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)CC(C)(C)C	REAL300007249920	0	48	0.0	-58.06	345.27	8.60	-49.46
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)CC(C)(C)C	REAL300007249920	1	48	0.0	-65.77	347.22	8.75	-57.02
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249922	0	49	0.0	-70.50	376.12	10.62	-59.88
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249922	1	49	0.0	-62.55	375.78	10.59	-51.96
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249923	0	53	0.0	-63.89	404.79	6.86	-57.03
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249923	1	53	0.0	-76.13	404.39	6.77	-69.36
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007249928	0	47	0.0	-57.75	337.30	6.36	-51.39
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007249928	1	47	0.0	-70.39	346.49	6.49	-63.90
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300007249949	1	52	0.0	-72.93	388.31	9.48	-63.45
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300007249949	1	52	0.0	-67.79	387.35	9.44	-58.35
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300007249950	1	52	0.0	-62.21	387.05	9.48	-52.73
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300007249950	1	52	0.0	-57.55	380.54	9.10	-48.45
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249952	0	51	0.0	-60.15	380.42	9.95	-50.20
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007249952	1	51	0.0	-68.00	380.72	9.96	-58.04
O=C([O-])C1(C(F)F)CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300007249962	0	44	0.0	-65.34	312.85	7.40	-57.94
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300007249970	1	38	0.0	-77.51	304.01	9.24	-68.27
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1CCSC1	REAL300007249986	0	44	0.0	-69.69	336.48	8.43	-61.26
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1CCSC1	REAL300007249986	1	44	0.0	-62.70	335.94	8.41	-54.29
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007250003	0	54	0.0	-62.79	392.00	7.38	-55.41
CC(C)N1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007250003	1	54	0.0	-63.23	388.54	7.21	-56.02
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007250004	0	57	0.0	-63.49	413.54	8.21	-55.28
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007250004	1	57	0.0	-74.70	412.44	8.08	-66.62
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300007250005	0	47	0.0	-58.47	341.75	8.90	-49.57
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300007250005	1	47	0.0	-63.38	339.81	8.83	-54.55
C[NH+](C)CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=N1	REAL300007250007	0	46	0.0	-79.00	358.44	7.28	-71.72
O=C([O-])C1(C(F)F)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300007250016	0	55	0.0	-78.87	408.49	9.43	-69.44
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300007250019	0	52	0.0	-71.45	383.13	9.56	-61.89
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300007250019	1	52	0.0	-68.83	382.10	9.24	-59.59
CC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007250024	0	50	0.0	-58.73	368.45	10.41	-48.32
CC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007250024	1	50	0.0	-65.60	370.62	10.48	-55.12
CCC(CC)C(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[NH+]1CCOCC1	REAL300007250041	1	56	0.0	-55.38	380.97	8.35	-47.03
CCCC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[NH+](C)C	REAL300007250045	0	45	0.0	-63.67	328.79	8.02	-55.65
O=C([O-])C1(C(F)F)CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300007250047	0	53	0.0	-67.73	399.73	11.36	-56.37
O=C([O-])C1(C(F)F)CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300007250047	1	53	0.0	-75.80	401.20	11.47	-64.33
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=N1	REAL300007250062	0	46	0.0	-70.54	358.47	8.02	-62.52
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250063	0	46	0.0	-65.93	353.60	7.38	-58.55
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC[N@@H+]1C	REAL300007250069	0	43	0.0	-65.41	310.14	7.41	-58.00
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC[N@H+]1C	REAL300007250069	1	43	0.0	-66.00	318.75	7.40	-58.60
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250071	1	47	0.0	-67.07	362.16	9.36	-57.71
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC[N@@H+]1C	REAL300007250074	0	46	0.0	-70.94	334.53	7.83	-63.11
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC[N@H+]1C	REAL300007250074	1	46	0.0	-71.52	333.82	7.92	-63.60
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=NN1	REAL300007250077	1	47	0.0	-77.71	354.85	7.03	-70.68
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=NN1	REAL300007250077	1	47	0.0	-79.21	350.91	6.90	-72.31
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250078	0	42	0.0	-66.38	320.56	7.87	-58.51
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250078	1	42	0.0	-62.70	325.41	8.20	-54.50
CC1C[N@H+](C)CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)O1	REAL300007250086	1	44	0.0	-60.69	324.68	7.16	-53.53
CC1C[N@@H+](C)CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)O1	REAL300007250086	1	44	0.0	-75.10	323.05	6.97	-68.13
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300007250092	0	53	0.0	-71.33	394.67	11.40	-59.93
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300007250092	1	53	0.0	-75.92	400.45	11.13	-64.79
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300007250093	1	49	0.0	-69.75	369.51	8.62	-61.13
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300007250093	1	49	0.0	-66.91	368.39	8.36	-58.55
CC1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250097	1	38	0.0	-55.76	306.10	7.79	-47.97
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250099	0	47	0.0	-74.63	347.51	6.72	-67.91
O=C([O-])C1(C(F)F)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1	REAL300007250100	0	54	0.0	-78.99	406.73	8.89	-70.10
CC1CC[NH+](CC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007250112	0	46	0.0	-58.49	339.27	8.66	-49.83
CC[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007250126	1	44	0.0	-80.21	326.89	6.98	-73.23
CC[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007250126	1	44	0.0	-53.35	320.41	6.88	-46.47
O=C([O-])C1(C(F)F)CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300007250166	0	53	0.0	-72.76	377.11	9.90	-62.86
O=C([O-])C1(C(F)F)CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300007250166	1	53	0.0	-68.95	377.13	9.88	-59.07
C[N@@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250173	0	46	0.0	-72.91	340.54	8.58	-64.33
C[N@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250173	1	46	0.0	-63.24	334.07	8.10	-55.14
O=C([O-])C1(C(F)F)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300007250185	0	47	0.0	-65.73	324.30	7.81	-57.92
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250188	0	44	0.0	-72.57	317.16	3.90	-68.67
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250188	1	44	0.0	-67.12	313.42	3.06	-64.06
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300007250189	0	47	0.0	-62.87	336.40	8.64	-54.23
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300007250189	1	47	0.0	-56.99	336.45	8.79	-48.20
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250196	0	50	0.0	-74.43	350.68	6.74	-67.69
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=N1	REAL300007250201	0	53	0.0	-75.66	398.34	8.82	-66.84
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=N1	REAL300007250201	1	53	0.0	-68.55	387.54	8.70	-59.85
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)=C2)CC1	REAL300007250205	0	55	0.0	-72.74	412.52	8.68	-64.06
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)C=C2)CC1	REAL300007250206	0	55	0.0	-69.65	412.29	8.78	-60.87
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)C=C2)CC1	REAL300007250206	1	55	0.0	-69.57	410.40	8.61	-60.96
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=C1	REAL300007250208	0	56	0.0	-65.56	419.46	10.47	-55.09
CC(C)[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007250216	0	49	0.0	-64.99	351.09	8.69	-56.30
O=C([O-])C1(C(F)F)CCN(C(=O)C23CC[NH+](CC2)C3)CC1	REAL300007250297	0	41	0.0	-74.06	299.50	6.36	-67.70
O=C([O-])C1(C(F)F)CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300007250307	0	44	0.0	-71.61	310.12	7.03	-64.58
O=C([O-])C1(C(F)F)CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300007250307	1	44	0.0	-74.03	308.26	6.97	-67.06
CC1CCC(C)[NH+]1CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250361	0	46	0.0	-62.36	334.65	8.21	-54.15
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=C1	REAL300007250362	0	46	0.0	-68.10	352.32	9.31	-58.79
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300007250363	0	53	0.0	-61.78	383.55	11.26	-50.52
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300007250363	1	53	0.0	-70.08	394.77	11.14	-58.94
C[NH+](C)C1(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CCC1	REAL300007250402	0	43	0.0	-65.89	301.34	7.08	-58.81
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007250436	0	45	0.0	-69.74	345.60	8.94	-60.80
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250438	0	49	0.0	-69.76	347.93	8.73	-61.03
CCC[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250438	1	49	0.0	-51.66	355.66	9.08	-42.58
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250439	0	46	0.0	-54.91	352.14	9.37	-45.54
CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007250441	0	51	0.0	-64.42	374.80	6.86	-57.56
CCN1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007250441	1	51	0.0	-63.32	375.30	6.90	-56.42
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[NH+]1CCCCC1	REAL300007250443	0	52	0.0	-59.72	357.42	9.69	-50.03
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1=CC=CC=C1	REAL300007250444	1	46	0.0	-52.66	348.56	9.49	-43.17
O=C([O-])C1(C(F)F)CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300007250448	0	51	0.0	-74.34	387.72	7.45	-66.89
O=C([O-])C1(C(F)F)CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300007250448	1	51	0.0	-66.54	383.77	7.67	-58.87
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250454	1	47	0.0	-63.66	362.46	9.40	-54.26
C[NH+](C)CC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)OC2=CC=CC=C21	REAL300007250455	0	49	0.0	-65.21	372.63	9.92	-55.29
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300007250460	0	50	0.0	-65.60	347.74	9.45	-56.15
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300007250460	1	50	0.0	-54.17	352.22	9.63	-44.54
CC[N@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1CC1	REAL300007250462	0	43	0.0	-70.00	317.50	7.98	-62.02
CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)C1CC1	REAL300007250462	1	43	0.0	-65.18	318.43	8.10	-57.08
O=C([O-])C1(C(F)F)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC1	REAL300007250491	1	51	0.0	-67.55	388.96	10.98	-56.57
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[NH+]1CC(C)OC(C)C1	REAL300007250492	1	56	0.0	-53.70	390.68	8.74	-44.96
CC(C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[NH+]1CCCCCC1	REAL300007250493	0	49	0.0	-66.29	340.88	8.46	-57.83
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)=CC=C1N2	REAL300007250535	1	51	0.0	-73.81	389.71	9.77	-64.04
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)=CC=C1N2	REAL300007250535	1	51	0.0	-72.36	390.43	9.78	-62.58
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)O1	REAL300007250586	0	49	0.0	-73.57	372.33	9.20	-64.37
O=C([O-])C1(C(F)F)CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300007250587	0	49	0.0	-74.20	366.80	9.40	-64.80
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)CC2)[NH+]=C1	REAL300007250589	1	52	0.0	-63.50	389.92	9.16	-54.34
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)CC1=CC=CC=C1	REAL300007250590	1	46	0.0	-62.26	353.31	9.75	-52.51
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)CC1=CC=CC=C1	REAL300007250590	1	46	0.0	-70.26	353.70	9.79	-60.47
CC(C)[C@@H](C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1)[NH+](C)C	REAL300007250601	0	45	0.0	-65.57	318.37	7.59	-57.98
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300007250618	1	41	0.0	-77.95	333.41	7.23	-70.72
C[NH+](C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=NO1	REAL300007250648	1	42	0.0	-72.98	332.78	7.50	-65.48
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250652	0	53	0.0	-67.55	389.54	11.11	-56.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250652	1	53	0.0	-64.93	397.34	11.20	-53.73
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250668	0	46	0.0	-68.15	326.09	8.33	-59.82
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250668	1	46	0.0	-65.95	322.66	8.20	-57.75
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=C1	REAL300007250676	0	54	0.0	-72.00	418.15	10.68	-61.32
C[NH+]1CCC(OCC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007250695	0	47	0.0	-78.85	356.12	8.25	-70.60
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300007250700	0	50	0.0	-73.12	378.92	9.70	-63.42
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007250899	0	49	0.0	-72.58	359.48	9.04	-63.54
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007250899	1	49	0.0	-71.50	356.72	8.90	-62.60
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250931	0	49	0.0	-67.25	356.88	9.10	-58.15
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007250931	1	49	0.0	-69.43	353.81	8.76	-60.67
O=C([O-])C1(C(F)F)CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300007250932	0	47	0.0	-67.67	350.57	5.37	-62.30
O=C([O-])C1(C(F)F)CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300007251039	0	54	0.0	-66.54	399.70	11.35	-55.19
O=C([O-])C1(C(F)F)CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300007251039	1	54	0.0	-73.96	402.39	11.27	-62.69
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300007251084	1	53	0.0	-64.59	400.32	11.39	-53.20
O=C([O-])C1(C(F)F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300007251084	1	53	0.0	-56.00	399.44	11.32	-44.68
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251175	0	49	0.0	-57.88	354.02	8.82	-49.06
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251175	1	49	0.0	-56.45	354.01	8.85	-47.60
C[N@@H+]1CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C(C(F)(F)F)C1	REAL300007251176	0	43	0.0	-70.76	328.06	7.25	-63.51
C[N@H+]1CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C(C(F)(F)F)C1	REAL300007251176	1	43	0.0	-80.86	326.06	8.15	-72.71
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)N1	REAL300007251201	1	44	0.0	-64.46	347.22	7.53	-56.93
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=C1	REAL300007251712	0	49	0.0	-69.44	374.81	10.14	-59.30
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=C1	REAL300007251720	0	50	0.0	-72.07	381.53	9.10	-62.97
O=C([O-])C1(C(F)F)CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300007251818	0	56	0.0	-66.95	416.37	12.19	-54.76
CC1CN(CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)C=C2)CCO1	REAL300007251820	0	54	0.0	-81.84	405.99	9.42	-72.42
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)C=C2)CCO1	REAL300007251820	1	54	0.0	-74.62	408.88	9.57	-65.05
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)C=C2)CCO1	REAL300007251820	1	54	0.0	-74.62	408.88	9.57	-65.05
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251865	0	43	0.0	-70.88	324.29	7.83	-63.05
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)CC1	REAL300007251869	0	49	0.0	-61.56	344.58	8.62	-52.94
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)=CN12	REAL300007251873	0	41	0.0	-71.81	332.38	9.26	-62.55
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251938	0	52	0.0	-65.80	365.73	9.59	-56.21
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251938	1	52	0.0	-69.59	374.39	9.59	-60.00
CC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251939	0	46	0.0	-59.42	337.36	8.29	-51.13
CC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251939	1	46	0.0	-65.54	338.20	8.36	-57.18
C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251943	0	43	0.0	-72.64	317.48	7.49	-65.15
C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251943	1	43	0.0	-71.50	317.78	7.52	-63.98
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)O1	REAL300007251945	1	43	0.0	-74.14	337.33	7.83	-66.31
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251951	0	52	0.0	-73.48	359.22	8.57	-64.91
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C1	REAL300007251951	1	52	0.0	-77.49	348.68	8.27	-69.22
O=C([O-])C1(C(F)F)CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300007251954	1	45	0.0	-67.45	330.20	9.12	-58.33
O=C([O-])C1COC2(C1)CCN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)CC2	REAL300007253051	0	58	0.0	-77.41	427.33	11.01	-66.40
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300007253684	0	55	0.0	-65.67	407.52	10.39	-55.28
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300007253684	1	55	0.0	-66.32	403.09	9.99	-56.33
O=C([O-])C1COC2(C1)CCN(C(=O)C1CC[NH+](C3CC3)CC1)CC2	REAL300007254575	0	52	0.0	-72.68	375.49	8.66	-64.02
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCC[N@@H+]1C1CC1)CC2	REAL300007254601	0	49	0.0	-63.81	359.44	8.18	-55.63
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCC[N@H+]1C1CC1)CC2	REAL300007254601	1	49	0.0	-62.01	355.13	7.83	-54.18
CC1=[NH+]C=C2CCC(C(=O)N3CCC4(CC(C(=O)[O-])CO4)CC3)CN12	REAL300007254607	1	50	0.0	-67.02	374.71	8.50	-58.52
O=C([O-])C1COC2(C1)CCN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC2	REAL300007254608	0	58	0.0	-67.47	429.25	10.99	-56.48
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007254689	0	48	0.0	-66.54	336.62	7.04	-59.50
C[N@H+]1CCCCC1C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007254689	1	48	0.0	-66.45	339.61	7.14	-59.31
CC(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)N1CC[NH+](C)CC1	REAL300007254690	1	53	0.0	-70.13	375.66	5.56	-64.57
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007254732	0	48	0.0	-63.58	347.60	7.50	-56.08
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007254732	1	48	0.0	-66.94	336.22	7.03	-59.91
C[NH+]1CCC(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)CC1	REAL300007254820	0	48	0.0	-75.64	350.65	7.46	-68.18
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)CC2	REAL300007254845	0	43	0.0	-71.51	334.91	9.05	-62.46
C[NH+](C)CC1(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)CCCCC1	REAL300007254878	0	57	0.0	-69.84	381.10	8.77	-61.07
C[N@H+](CCC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)C1CCCCC1	REAL300007254883	0	57	0.0	-72.31	405.17	9.56	-62.75
C[N@@H+](CCC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)C1CCCCC1	REAL300007254883	1	57	0.0	-72.32	405.17	9.57	-62.75
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CC2	REAL300007254900	1	55	0.0	-67.48	409.59	10.07	-57.41
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CC2	REAL300007254900	1	55	0.0	-72.26	417.39	10.59	-61.67
C[NH+]1CCC(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)CC1	REAL300007254953	0	48	0.0	-75.64	350.65	7.46	-68.18
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)CC2	REAL300007254958	0	51	0.0	-75.51	394.43	8.17	-67.34
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCCC[N@@H+]1C1CCCC1)CC2	REAL300007254981	0	58	0.0	-60.06	394.92	9.46	-50.60
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCCC[N@H+]1C1CCCC1)CC2	REAL300007254981	1	58	0.0	-59.69	398.39	9.55	-50.14
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)CC2	REAL300007254982	0	59	0.0	-67.15	408.03	7.79	-59.36
CC1=[NH+]C=CN1CCCC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255015	1	49	0.0	-69.25	377.26	8.84	-60.41
O=C([O-])C1COC2(C1)CCN(C(=O)CCCC[NH+]1CCOCC1)CC2	REAL300007255016	1	55	0.0	-75.98	404.55	7.52	-68.46
CC[N@H+](CC1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C=C1)C(C)C	REAL300007255019	0	60	0.0	-75.13	430.71	10.63	-64.50
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C=C1)C(C)C	REAL300007255019	1	60	0.0	-75.02	422.39	10.21	-64.81
O=C([O-])C1COC2(C1)CCN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)CC2	REAL300007255069	0	55	0.0	-72.26	408.47	10.25	-62.01
O=C([O-])C1COC2(C1)CCN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)CC2	REAL300007255069	1	55	0.0	-73.44	406.97	10.17	-63.27
O=C([O-])C1COC2(C1)CCN(C(=O)C1CC[NH+](C3CCSC3)CC1)CC2	REAL300007255070	0	56	0.0	-77.49	410.14	9.72	-67.77
O=C([O-])C1COC2(C1)CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)CC2	REAL300007255095	0	59	0.0	-72.47	403.06	7.81	-64.66
CCC(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)[NH+](CC)CC	REAL300007255099	0	53	0.0	-66.88	367.24	8.30	-58.58
CC(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300007255101	0	54	0.0	-70.37	398.72	9.82	-60.55
CC(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300007255101	1	54	0.0	-69.53	397.79	9.79	-59.74
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C=N1	REAL300007255133	0	50	0.0	-75.04	379.06	7.09	-67.95
CCC[NH+](CCC)CCCC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255142	0	59	0.0	-72.76	424.37	9.85	-62.91
CC[N@H+](C)C(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)C1=CC=CC=C1	REAL300007255143	0	54	0.0	-64.23	395.81	9.78	-54.45
CC[N@@H+](C)C(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)C1=CC=CC=C1	REAL300007255143	1	54	0.0	-64.08	394.44	9.79	-54.29
C[N@@H+]1CCOC(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C1	REAL300007255145	1	46	0.0	-71.18	332.37	5.96	-65.22
C[N@H+]1CCOC(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C1	REAL300007255145	1	46	0.0	-78.92	340.01	6.17	-72.75
CC[NH+](CC)C(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)C1=CC=CC=C1	REAL300007255148	0	57	0.0	-65.95	401.40	10.14	-55.81
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255157	1	49	0.0	-65.20	372.04	8.62	-56.58
C[NH+](C)C(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)C1=CC=C(Cl)C=C1	REAL300007255162	1	51	0.0	-68.72	391.64	9.65	-59.07
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)CC2	REAL300007255175	0	55	0.0	-77.49	409.12	10.22	-67.27
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)CC2	REAL300007255183	0	58	0.0	-72.38	425.89	10.93	-61.45
CCC(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)[N@@H+]1CCOC(CC)C1	REAL300007255185	1	58	0.0	-63.84	406.12	7.72	-56.12
CCC(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)[N@H+]1CCOC(CC)C1	REAL300007255185	1	58	0.0	-64.35	404.70	7.86	-56.49
C[NH+](C)CC1(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)CC1	REAL300007255189	0	48	0.0	-66.05	355.35	7.52	-58.53
C[NH+](C)CCCCC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255198	0	50	0.0	-74.12	371.65	8.07	-66.05
CC(C)C(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)[NH+](C)C	REAL300007255207	0	50	0.0	-68.37	345.93	7.29	-61.08
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300007255220	0	58	0.0	-65.02	424.09	11.07	-53.95
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300007255220	1	58	0.0	-64.83	423.83	11.06	-53.77
CC1=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300007255222	1	49	0.0	-75.08	378.59	7.42	-67.66
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)CC2	REAL300007255230	0	58	0.0	-76.10	426.63	10.93	-65.17
O=C([O-])C1COC2(C1)CCN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)CC2	REAL300007255244	1	51	0.0	-76.06	388.16	8.36	-67.70
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C=C1	REAL300007255245	0	54	0.0	-79.50	406.80	9.91	-69.59
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255257	1	47	0.0	-61.91	359.85	6.57	-55.34
O=C([O-])C1COC2(C1)CCN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)CC2	REAL300007255259	1	56	0.0	-69.75	409.26	9.52	-60.23
O=C([O-])C1COC2(C1)CCN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)CC2	REAL300007255259	1	56	0.0	-73.67	409.51	9.56	-64.11
C[N@H+](CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)C1CCC1	REAL300007255290	0	48	0.0	-67.22	352.91	7.89	-59.33
C[N@@H+](CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)C1CCC1	REAL300007255290	1	48	0.0	-68.12	352.51	7.87	-60.25
CC(C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)[NH+]1CCSCC1	REAL300007255313	1	49	0.0	-69.50	363.20	7.81	-61.69
C[N@H+](CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)CC(C)(C)C	REAL300007255319	0	53	0.0	-70.19	374.12	8.28	-61.91
C[N@@H+](CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)CC(C)(C)C	REAL300007255319	1	53	0.0	-69.85	376.06	8.44	-61.41
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255321	0	54	0.0	-74.12	405.42	10.33	-63.79
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255321	1	54	0.0	-73.28	405.91	10.35	-62.93
COCCOCC[N@H+](C)CCC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255322	0	58	0.0	-73.36	434.45	6.55	-66.81
COCCOCC[N@@H+](C)CCC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255322	1	58	0.0	-73.26	434.94	6.59	-66.67
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C1	REAL300007255327	0	52	0.0	-69.48	374.20	6.39	-63.09
C[N@H+]1CCCC(O)(CC(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C1	REAL300007255327	1	52	0.0	-70.23	364.55	6.20	-64.03
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CC2	REAL300007255348	1	57	0.0	-69.67	418.89	9.30	-60.37
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CC2	REAL300007255348	1	57	0.0	-69.48	417.87	9.24	-60.24
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CC2	REAL300007255349	1	57	0.0	-69.82	418.09	9.24	-60.58
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CC2	REAL300007255349	1	57	0.0	-66.80	418.40	9.15	-57.65
CCCCCC[N@H+](C)CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255351	0	56	0.0	-71.56	410.00	9.64	-61.92
CCCCCC[N@@H+](C)CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007255351	1	56	0.0	-71.60	410.01	9.65	-61.95
O=C([O-])C1COC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2	REAL300007255361	0	49	0.0	-63.68	344.90	7.27	-56.41
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)CC2	REAL300007255369	1	43	0.0	-76.04	335.33	9.06	-66.98
C[N@H+](CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)C1CCSC1	REAL300007255383	0	49	0.0	-75.53	365.77	8.12	-67.41
C[N@@H+](CC(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1)C1CCSC1	REAL300007255383	1	49	0.0	-74.69	365.56	8.12	-66.57
CC(C)[NH+]1CCN(CCC(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)CC1	REAL300007255399	0	59	0.0	-69.72	422.11	7.14	-62.58
CC(C)N1CC[NH+](CCC(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)CC1	REAL300007255399	1	59	0.0	-72.26	418.61	6.94	-65.32
CC(C)[NH+]1CCN(CCCC(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)CC1	REAL300007255400	0	62	0.0	-68.52	443.61	7.94	-60.58
CC(C)N1CC[NH+](CCCC(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)CC1	REAL300007255400	1	62	0.0	-73.61	439.96	7.74	-65.87
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCCC3CCC[N@@H+]31)CC2	REAL300007255401	0	52	0.0	-61.71	371.71	8.63	-53.08
O=C([O-])C1COC2(C1)CCN(C(=O)C1CCCC3CCC[N@H+]31)CC2	REAL300007255401	1	52	0.0	-60.83	358.35	7.94	-52.89
C[NH+](C)CCN1C=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C=N1	REAL300007255403	0	51	0.0	-77.84	388.13	7.07	-70.77
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C[N@H+]1CCCC(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C1	REAL300007257277	1	48	0.0	-61.49	341.72	7.50	-53.99
CN(C)CC1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)O1	REAL300007257279	0	48	0.0	-75.68	368.09	7.64	-68.04
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)O1	REAL300007257279	1	48	0.0	-75.68	368.09	7.64	-68.04
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CC1CC(C(=O)[O-])N1C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300007260214	0	47	0.0	-60.92	364.09	10.13	-50.79
CC1CC(C(=O)[O-])N1C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007260214	1	47	0.0	-38.56	353.58	9.42	-29.14
CC1CC(C(=O)[O-])N1C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300007260248	1	47	0.0	-32.51	348.15	9.52	-22.99
CC1CC(C(=O)[O-])N1C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300007260248	1	47	0.0	-64.74	347.86	10.09	-54.65
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300007260249	1	44	0.0	-51.60	348.56	9.71	-41.89
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300007260249	1	44	0.0	-29.90	341.61	8.95	-20.95
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007260288	0	40	0.0	-91.34	322.33	7.99	-83.35
CC1CC(C(=O)[O-])N1C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300007260293	0	50	0.0	-65.45	389.30	9.11	-56.34
CC1CC(C(=O)[O-])N1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007260316	0	48	0.0	-73.10	335.82	7.31	-65.79
CC[N@H+](CC1=CC=C(C(=O)N2C(C)CC2C(=O)[O-])C=C1)C(C)C	REAL300007260331	0	49	0.0	-64.57	358.92	9.59	-54.98
CC[N@@H+](CC1=CC=C(C(=O)N2C(C)CC2C(=O)[O-])C=C1)C(C)C	REAL300007260331	1	49	0.0	-64.30	354.00	9.36	-54.94
CC1CC(C(=O)[O-])N1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007260350	0	44	0.0	-43.23	338.62	9.11	-34.12
CC1CC(C(=O)[O-])N1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007260350	1	44	0.0	-73.67	339.15	9.88	-63.79
CC1CC(C(=O)[O-])N1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007260351	0	45	0.0	-85.80	333.76	8.88	-76.92
CC1CC(C(=O)[O-])N1C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300007260370	1	49	0.0	-73.74	360.16	7.55	-66.19
CC1CC(C(=O)[O-])N1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007260371	0	48	0.0	-74.06	332.58	7.22	-66.84
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300007260379	0	50	0.0	-45.11	379.24	10.69	-34.42
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300007260379	1	50	0.0	-53.24	374.47	11.13	-42.11
CC1CC(C(=O)[O-])N1C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300007260416	1	48	0.0	-46.30	367.77	6.95	-39.35
CC[NH+](CC)C(C(=O)N1C(C)CC1C(=O)[O-])C1=CC=CC=C1	REAL300007260421	0	46	0.0	-38.63	340.12	9.21	-29.42
CC1CC(C(=O)[O-])N1C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300007260422	1	40	0.0	-43.50	328.46	8.93	-34.57
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007260434	0	44	0.0	-91.54	335.60	10.00	-81.54
CC1CC(C(=O)[O-])N1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007260439	0	47	0.0	-67.62	354.99	9.81	-57.81
CCN1CCC([NH+]2CCC(C(=O)N3C(C)CC3C(=O)[O-])CC2)CC1	REAL300007260444	0	55	0.0	-82.46	389.18	8.26	-74.20
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N2C(C)CC2C(=O)[O-])=C1	REAL300007260446	0	57	0.0	-49.61	440.86	13.36	-36.25
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N2C(C)CC2C(=O)[O-])=C1	REAL300007260446	1	57	0.0	-75.13	444.92	14.25	-60.88
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300007260450	1	51	0.0	-94.06	385.67	9.73	-84.33
CC1CC(C(=O)[O-])N1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007260460	1	48	0.0	-53.97	371.18	9.36	-44.61
CC1CC(C(=O)[O-])N1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007260460	1	48	0.0	-65.65	375.53	9.62	-56.03
CC1CC(C(=O)[O-])N1C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300007260475	0	47	0.0	-30.40	341.76	9.45	-20.95
CC1CC(C(=O)[O-])N1C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300007260475	1	47	0.0	-62.32	341.46	10.02	-52.30
CC1=C(C(=O)N2C(C)CC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007260476	1	38	0.0	-67.32	305.80	6.11	-61.21
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007260483	0	47	0.0	-67.72	355.01	9.92	-57.80
CC1CC(C(=O)[O-])N1C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300007260493	0	57	0.0	-58.04	435.03	13.27	-44.77
CC1CC(C(=O)[O-])N1C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300007260493	1	57	0.0	-46.95	430.51	12.87	-34.08
CC1CC(C(=O)[O-])N1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007260498	1	45	0.0	-45.34	339.36	8.52	-36.82
CC1CC(C(=O)[O-])N1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007260498	1	45	0.0	-59.15	344.06	8.76	-50.39
CC1CC(C(=O)[O-])N1C(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C	REAL300007260502	0	54	0.0	-57.38	389.16	10.87	-46.51
CC1CC(C(=O)[O-])N1C(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C	REAL300007260502	1	54	0.0	-54.86	398.95	11.09	-43.77
CC(C(=O)N1C(C)CC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007260510	0	53	0.0	-47.90	398.85	11.52	-36.38
COCCOCC[N@H+](C)CCC(=O)N1C(C)CC1C(=O)[O-]	REAL300007260531	0	47	0.0	-53.34	369.34	5.71	-47.63
COCCOCC[N@@H+](C)CCC(=O)N1C(C)CC1C(=O)[O-]	REAL300007260531	1	47	0.0	-74.31	364.05	6.28	-68.03
CC1CC(C(=O)[O-])N1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007260540	0	52	0.0	-79.39	390.31	9.79	-69.60
CC1CC(C(=O)[O-])N1C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300007260541	1	46	0.0	-32.98	336.63	7.71	-25.27
CC1CC(C(=O)[O-])N1C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300007260541	1	46	0.0	-61.39	348.88	9.01	-52.38
CC1CC(C(=O)[O-])N1C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300007260542	1	46	0.0	-64.80	336.21	7.99	-56.81
CC1CC(C(=O)[O-])N1C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300007260542	1	46	0.0	-62.63	336.21	8.26	-54.37
CC(C)[NH+]1CCN(CCCC(=O)N2C(C)CC2C(=O)[O-])CC1	REAL300007260560	0	51	0.0	-75.69	372.72	7.62	-68.07
CC(C)N1CC[NH+](CCCC(=O)N2C(C)CC2C(=O)[O-])CC1	REAL300007260560	1	51	0.0	-75.30	369.36	7.42	-67.88
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C(C)CC3C(=O)[O-])CC2)=C1	REAL300007260564	0	52	0.0	-74.63	390.23	9.66	-64.97
CC1CC(C(=O)[O-])N1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007260565	0	49	0.0	-74.67	368.81	8.99	-65.68
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300007260568	0	46	0.0	-73.16	356.89	8.82	-64.34
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300007260568	1	46	0.0	-57.31	351.78	8.04	-49.27
CC(C(=O)N1C(C)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007260571	1	44	0.0	-64.47	335.72	9.99	-54.48
CC(C(=O)N1C(C)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007260571	1	44	0.0	-62.88	333.86	10.08	-52.80
CCC(CC)C(C(=O)N1C(C)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300007260580	1	50	0.0	-33.99	339.57	7.10	-26.89
CC1CC(C(=O)[O-])N1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007260594	0	47	0.0	-60.98	366.23	10.32	-50.66
CC1CC(C(=O)[O-])N1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007260594	1	47	0.0	-59.15	365.85	10.17	-48.98
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300007260608	0	47	0.0	-73.14	368.37	10.65	-62.49
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300007260608	1	47	0.0	-56.89	363.34	9.95	-46.94
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300007260609	1	43	0.0	-59.62	334.01	7.78	-51.84
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300007260609	1	43	0.0	-60.68	332.89	7.87	-52.81
CC1CC(C(=O)[O-])N1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300007260611	0	48	0.0	-75.08	366.57	8.41	-66.67
CC1CC(C(=O)[O-])N1C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300007260643	0	52	0.0	-53.67	389.26	8.82	-44.85
CC1CC(C(=O)[O-])N1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300007260643	1	52	0.0	-47.62	388.12	9.18	-38.44
CC(C)[N@@H+]1CCC(C(=O)N2C(C)CC2C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300007260645	0	53	0.0	-49.58	383.67	8.27	-41.31
CC(C)[N@H+]1CCC(C(=O)N2C(C)CC2C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300007260645	1	53	0.0	-83.66	394.56	9.13	-74.53
CC1CC(C(=O)[O-])N1C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300007260646	0	47	0.0	-52.62	348.58	7.25	-45.37
CC1CC(C(=O)[O-])N1C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300007260646	1	47	0.0	-59.73	345.06	6.91	-52.82
CC1CC(C(=O)[O-])N1C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300007260649	0	49	0.0	-87.90	369.41	8.27	-79.63
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300007260650	0	49	0.0	-68.38	371.50	7.35	-61.03
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300007260650	1	49	0.0	-68.07	371.84	7.42	-60.65
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C(C)CC2C(=O)[O-])C=C1	REAL300007260651	0	50	0.0	-90.40	371.84	9.72	-80.68
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007260685	0	51	0.0	-93.94	384.02	8.01	-85.93
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007260687	0	47	0.0	-67.37	345.62	10.57	-56.80
CC1CC(C(=O)[O-])N1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007260687	1	47	0.0	-41.91	358.44	10.00	-31.91
CC1CC(C(=O)[O-])N1C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300007260730	0	45	0.0	-37.45	338.03	6.04	-31.41
CC1CC(C(=O)[O-])N1C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007260730	1	45	0.0	-38.52	339.49	6.32	-32.20
CC1CC(C(=O)[O-])N1C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300007260733	0	43	0.0	-58.69	333.99	9.42	-49.27
CC[NH+](CC)C(C(=O)N1C(C)CC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300007260735	0	49	0.0	-38.73	367.25	10.23	-28.50
CC1CC(C(=O)[O-])N1C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300007260757	1	45	0.0	-56.52	352.12	10.61	-45.91
CC(C)C(C(=O)N1C(C)CC1C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300007260758	1	50	0.0	-44.37	359.37	7.31	-37.06
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300007260776	1	45	0.0	-63.96	348.78	8.49	-55.47
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300007260776	1	45	0.0	-87.74	347.05	9.23	-78.51
CC1=CC=C(N2CCC(C(=O)N3C(C)CC3C(=O)[O-])CC2)[NH+]=C1	REAL300007260816	1	46	0.0	-78.56	346.76	8.49	-70.07
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C(C)CC3C(=O)[O-])C=C2)CC1	REAL300007260819	0	52	0.0	-61.83	378.87	8.20	-53.63
CC1CC(C(=O)[O-])N1C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300007260847	0	47	0.0	-53.46	362.44	10.16	-43.30
CC1CC(C(=O)[O-])N1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300007260847	1	47	0.0	-79.53	365.91	10.52	-69.01
CC1CC(C(=O)[O-])N1C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300007260860	0	48	0.0	-67.47	379.37	9.33	-58.14
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007260872	0	44	0.0	-88.19	338.01	9.26	-78.93
CC1CC(C(=O)[O-])N1C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300007260890	0	46	0.0	-42.34	349.31	7.90	-34.44
CC1CC(C(=O)[O-])N1C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300007260890	1	46	0.0	-68.29	354.25	8.68	-59.61
CC1CC(C(=O)[O-])N1C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300007261034	0	48	0.0	-60.30	365.41	10.23	-50.07
CC1CC(C(=O)[O-])N1C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300007261034	1	48	0.0	-87.84	357.89	10.41	-77.43
CC1CC(C(=O)[O-])N1C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300007261060	1	47	0.0	-47.82	351.51	9.71	-38.11
CC1CC(C(=O)[O-])N1C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300007261060	1	47	0.0	-33.09	348.67	9.53	-23.56
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300007261376	0	44	0.0	-92.25	340.57	8.63	-83.62
CC1CC(C(=O)[O-])N1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007261420	0	50	0.0	-76.30	375.24	11.51	-64.79
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300007261422	1	48	0.0	-95.41	366.03	8.91	-86.50
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300007261422	1	48	0.0	-56.25	364.95	8.07	-48.18
CC1CC(C(=O)[O-])N1C(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300007261460	0	56	0.0	-90.38	420.21	12.02	-78.36
CC1CC(C(=O)[O-])N1C(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300007261460	1	56	0.0	-90.38	420.21	12.02	-78.36
O=C([O-])C1CC2CC1CN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300007262805	0	54	0.0	-83.23	389.89	12.06	-71.17
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300007263575	0	51	0.0	-70.71	368.38	11.18	-59.53
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300007263575	1	51	0.0	-72.42	369.77	11.46	-60.96
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C2	REAL300007264424	1	51	0.0	-75.36	385.09	11.71	-63.65
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C2	REAL300007264424	1	51	0.0	-66.90	383.93	11.68	-55.22
O=C([O-])C1CC2CC1CN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300007264499	0	48	0.0	-78.96	346.12	10.07	-68.89
CC1=[NH+]C=C2CCC(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)CN12	REAL300007264527	1	46	0.0	-69.83	336.36	9.52	-60.31
O=C([O-])C1CC2CC1CN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300007264528	0	54	0.0	-68.88	391.35	11.95	-56.93
CC1=NC(C[NH+]2CCC(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)CC2)=CS1	REAL300007264604	1	53	0.0	-83.90	397.61	9.88	-74.02
CC(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)N1CC[NH+](C)CC1	REAL300007264605	1	49	0.0	-80.60	343.48	6.80	-73.80
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=C1	REAL300007264689	0	57	0.0	-82.20	427.62	11.92	-70.28
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=C1	REAL300007264701	0	57	0.0	-76.32	411.91	14.53	-61.79
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=C1	REAL300007264701	1	57	0.0	-76.37	412.47	14.53	-61.84
CC1(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007264703	0	57	0.0	-63.95	388.66	11.81	-52.14
C[NH+](C)CC1(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CCCCC1	REAL300007264788	0	53	0.0	-91.68	340.63	10.58	-81.10
C[N@H+](CCC(=O)N1CC2CC(C1)C(C(=O)[O-])C2)C1CCCCC1	REAL300007264792	0	53	0.0	-77.24	371.45	10.74	-66.50
C[N@@H+](CCC(=O)N1CC2CC(C1)C(C(=O)[O-])C2)C1CCCCC1	REAL300007264792	1	53	0.0	-78.10	371.76	10.77	-67.33
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300007264815	1	54	0.0	-58.94	374.37	11.99	-46.95
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300007264815	1	54	0.0	-45.60	375.38	12.61	-32.99
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300007264816	1	51	0.0	-76.14	374.77	11.26	-64.88
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300007264816	1	51	0.0	-67.73	373.61	11.22	-56.51
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300007264873	0	47	0.0	-84.75	360.43	9.36	-75.39
C[NH+](C)CCN1N=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=C1C1=CC=CC=C1	REAL300007264878	0	57	0.0	-72.50	415.36	11.40	-61.10
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300007264903	0	54	0.0	-58.75	350.62	11.50	-47.25
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300007264903	1	54	0.0	-66.71	361.11	10.63	-56.08
O=C([O-])C1CC2CC1CN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300007264904	0	55	0.0	-76.16	375.06	8.96	-67.20
CC1=[NH+]C=CN1CCCC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007264935	1	45	0.0	-74.81	344.52	10.08	-64.73
O=C([O-])C1CC2CC1CN(C(=O)CCCC[NH+]1CCOCC1)C2	REAL300007264936	1	51	0.0	-80.86	371.81	8.76	-72.10
CC[N@H+](CC1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=C1)C(C)C	REAL300007264938	0	56	0.0	-69.72	384.82	11.38	-58.34
CC[N@@H+](CC1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=C1)C(C)C	REAL300007264938	1	56	0.0	-84.74	390.78	11.60	-73.14
O=C([O-])C1CC2CC1CN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007264963	0	51	0.0	-60.85	358.46	11.54	-49.31
O=C([O-])C1CC2CC1CN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007264963	1	51	0.0	-74.03	362.70	12.06	-61.97
O=C([O-])C1CC2CC1CN(C(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300007264964	0	52	0.0	-85.91	371.67	10.57	-75.34
C[NH+]1CCN(C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C2=CC=CC=C2)CC1	REAL300007264993	1	56	0.0	-79.55	398.44	9.79	-69.76
O=C([O-])C1CC2CC1CN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2	REAL300007264994	0	55	0.0	-76.14	369.72	9.00	-67.14
CC(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)[N@H+](C)CC1=CC=CC=C1	REAL300007264997	0	50	0.0	-76.06	361.26	10.85	-65.21
CC(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)[N@@H+](C)CC1=CC=CC=C1	REAL300007264997	1	50	0.0	-72.28	365.37	11.04	-61.24
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300007265008	0	57	0.0	-65.27	407.29	13.15	-52.12
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300007265008	1	57	0.0	-82.13	411.73	12.97	-69.16
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=N1	REAL300007265037	0	46	0.0	-84.99	347.34	8.47	-76.52
CCC[NH+](CCC)CCCC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265048	0	55	0.0	-76.96	391.63	11.10	-65.86
O=C([O-])C1CC2CC1CN(C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C2	REAL300007265049	1	55	0.0	-75.28	393.66	8.69	-66.59
CC[N@H+](C)C(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)C1=CC=CC=C1	REAL300007265050	0	50	0.0	-71.77	357.60	10.83	-60.94
CC[N@@H+](C)C(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)C1=CC=CC=C1	REAL300007265050	1	50	0.0	-71.61	358.56	10.83	-60.78
CC[NH+](CC)C(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)C1=CC=CC=C1	REAL300007265055	0	53	0.0	-64.48	369.70	11.28	-53.20
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265061	1	45	0.0	-68.04	338.87	9.83	-58.21
C[NH+](C)C(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)C1=CC=C(Cl)C=C1	REAL300007265063	1	47	0.0	-77.70	356.67	10.69	-67.01
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300007265077	0	51	0.0	-74.21	376.17	11.45	-62.76
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300007265084	0	54	0.0	-73.46	377.38	12.78	-60.68
CCN1CCC([NH+]2CCC(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)CC2)CC1	REAL300007265091	0	62	0.0	-78.80	418.88	9.48	-69.32
CC1C[NH+](CC2=CC=C(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)C=C2)CC(C)O1	REAL300007265098	1	58	0.0	-87.96	426.29	11.18	-76.78
O=C([O-])C1CC2CC1CN(C(=O)CC1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300007265109	1	55	0.0	-74.53	388.96	11.64	-62.89
O=C([O-])C1CC2CC1CN(C(=O)CC1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300007265109	1	55	0.0	-72.33	394.62	11.98	-60.35
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300007265124	0	54	0.0	-44.08	362.92	11.50	-32.58
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300007265124	1	54	0.0	-26.59	358.83	11.26	-15.33
CC1=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=NN1C1=CC=[NH+]C=C1	REAL300007265126	1	45	0.0	-78.40	331.13	9.27	-69.13
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300007265134	0	54	0.0	-74.23	392.89	12.16	-62.07
O=C([O-])C1CC2CC1CN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300007265146	1	47	0.0	-75.29	340.36	10.26	-65.03
C[NH+](C)CCC1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=C1	REAL300007265147	0	50	0.0	-80.23	371.34	11.07	-69.16
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265158	1	43	0.0	-66.51	325.05	7.73	-58.78
O=C([O-])C1CC2CC1CN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300007265159	1	52	0.0	-56.38	359.50	10.38	-46.00
O=C([O-])C1CC2CC1CN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300007265159	1	52	0.0	-73.91	374.91	10.74	-63.17
CC(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007265173	0	60	0.0	-74.19	430.24	13.59	-60.60
CC(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)[NH+]1CCSCC1	REAL300007265213	1	45	0.0	-75.35	326.03	8.90	-66.45
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265220	0	50	0.0	-76.43	372.17	11.53	-64.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265220	1	50	0.0	-76.19	372.17	11.53	-64.66
COCCOCC[N@H+](C)CCC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265221	0	54	0.0	-76.86	401.71	7.80	-69.06
COCCOCC[N@@H+](C)CCC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265221	1	54	0.0	-79.56	401.53	7.82	-71.74
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C1	REAL300007265225	0	48	0.0	-48.78	317.60	7.29	-41.49
C[N@H+]1CCCC(O)(CC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C1	REAL300007265225	1	48	0.0	-48.75	326.90	7.58	-41.17
O=C([O-])C1CC2CC1CN(C(=O)CCC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300007265235	0	59	0.0	-82.03	427.35	11.27	-70.76
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C2	REAL300007265236	1	53	0.0	-59.06	362.96	10.11	-48.95
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C2	REAL300007265236	1	53	0.0	-24.77	351.26	9.44	-15.33
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C2	REAL300007265237	1	53	0.0	-80.38	375.02	10.00	-70.38
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C2	REAL300007265237	1	53	0.0	-27.83	353.83	9.50	-18.33
CCCCCC[N@H+](C)CC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265239	0	52	0.0	-74.16	376.77	10.85	-63.31
CCCCCC[N@@H+](C)CC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265239	1	52	0.0	-74.64	377.22	10.82	-63.82
C[N@H+](CC(=O)N1CC2CC(C1)C(C(=O)[O-])C2)C1CCSC1	REAL300007265268	0	45	0.0	-78.62	332.89	9.37	-69.25
C[N@@H+](CC(=O)N1CC2CC(C1)C(C(=O)[O-])C2)C1CCSC1	REAL300007265268	1	45	0.0	-78.26	332.67	9.36	-68.90
CC(C)[NH+]1CCN(CCC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC1	REAL300007265283	0	55	0.0	-74.70	388.40	8.32	-66.38
CC(C)N1CC[NH+](CCC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC1	REAL300007265283	1	55	0.0	-77.15	385.22	8.15	-69.00
CC(C)[NH+]1CCN(CCCC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC1	REAL300007265284	0	58	0.0	-75.47	409.89	9.11	-66.36
CC(C)N1CC[NH+](CCCC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC1	REAL300007265284	1	58	0.0	-78.08	407.22	8.99	-69.09
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300007265285	0	48	0.0	-52.25	316.37	9.51	-42.74
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300007265285	1	48	0.0	-58.52	312.35	9.24	-49.28
C[NH+](C)CCN1C=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=N1	REAL300007265287	0	47	0.0	-92.24	355.30	8.29	-83.95
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4CC(C3)C(C(=O)[O-])C4)CC2)=C1	REAL300007265294	0	59	0.0	-81.48	427.75	11.19	-70.29
O=C([O-])C1CC2CC1CN(C(=O)CC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300007265296	0	56	0.0	-82.23	405.84	10.48	-71.75
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300007265299	0	53	0.0	-82.35	385.25	10.32	-72.03
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300007265299	1	53	0.0	-79.86	375.14	10.28	-69.58
CC(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007265304	1	51	0.0	-48.94	348.66	11.79	-37.15
CC(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)[N@H+]1CCC2=CC=CC=C2C1	REAL300007265304	1	51	0.0	-30.88	343.38	10.81	-20.07
CCC(CC)C(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)[NH+]1CCOCC1	REAL300007265323	1	57	0.0	-63.35	376.23	9.23	-54.12
O=C([O-])C1CC2CC1CN(C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007265332	0	54	0.0	-80.90	397.23	12.39	-68.51
O=C([O-])C1CC2CC1CN(C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007265332	1	54	0.0	-71.26	386.18	12.66	-58.60
C[NH+](C)CCN1C=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=N1	REAL300007265347	0	47	0.0	-93.07	355.28	8.95	-84.12
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265348	0	47	0.0	-62.31	334.73	8.07	-54.24
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265354	1	48	0.0	-70.75	359.49	10.40	-60.35
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=NN1	REAL300007265358	1	48	0.0	-80.06	348.29	7.92	-72.14
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=NN1	REAL300007265358	1	48	0.0	-81.12	350.11	8.13	-72.99
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300007265370	0	54	0.0	-41.33	382.84	11.81	-29.52
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300007265370	1	54	0.0	-80.18	386.68	12.20	-67.98
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C2	REAL300007265371	1	50	0.0	-46.21	356.49	9.88	-36.33
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C2	REAL300007265371	1	50	0.0	-51.28	348.80	9.14	-42.14
CC(C[NH+]1CCOCC1)C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265375	0	48	0.0	-76.49	343.83	7.69	-68.80
O=C([O-])C1CC2CC1CN(C(=O)CC[NH+]1CCN(C3=CC=CC=N3)CC1)C2	REAL300007265376	0	55	0.0	-82.03	404.10	9.94	-72.09
O=C([O-])C1CC2CC1CN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300007265430	0	54	0.0	-62.76	362.34	11.16	-51.60
O=C([O-])C1CC2CC1CN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300007265430	1	54	0.0	-78.14	376.24	10.89	-67.25
O=C([O-])C1CC2CC1CN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300007265449	0	48	0.0	-88.75	301.25	9.22	-79.53
O=C([O-])C1CC2CC1CN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300007265453	0	48	0.0	-55.97	314.73	9.87	-46.10
O=C([O-])C1CC2CC1CN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300007265453	1	48	0.0	-49.78	323.96	10.13	-39.65
O=C([O-])C1CC2CC1CN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300007265455	0	59	0.0	-60.19	411.22	11.45	-48.74
O=C([O-])C1CC2CC1CN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300007265455	1	59	0.0	-81.34	420.91	10.93	-70.41
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265462	0	51	0.0	-76.61	340.64	7.57	-69.04
CC(C)[N@@H+]1CCC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C(C2=CN(C)N=C2)C1	REAL300007265467	0	60	0.0	-68.74	413.11	11.41	-57.33
CC(C)[N@H+]1CCC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C(C2=CN(C)N=C2)C1	REAL300007265467	1	60	0.0	-87.98	431.70	10.97	-77.01
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=N1	REAL300007265468	0	54	0.0	-75.60	374.63	9.11	-66.49
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=N1	REAL300007265468	1	54	0.0	-92.66	389.82	9.40	-83.26
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)=C2)CC1	REAL300007265473	0	56	0.0	-86.29	394.45	10.35	-75.94
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)C=C2)CC1	REAL300007265474	0	56	0.0	-82.53	408.32	9.50	-73.03
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)C=C2)CC1	REAL300007265474	1	56	0.0	-75.08	409.45	9.60	-65.48
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=C1	REAL300007265475	0	57	0.0	-81.08	411.97	11.11	-69.97
CC(C)[NH+]1CCC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC1	REAL300007265481	0	50	0.0	-77.64	347.96	9.73	-67.91
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C(C[NH+]3CCC(CO)CC3)C=C1)C2	REAL300007265595	0	58	0.0	-76.76	424.60	9.46	-67.30
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=C1	REAL300007265599	0	47	0.0	-73.89	335.81	10.93	-62.96
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007265600	0	54	0.0	-73.95	393.01	12.22	-61.73
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007265600	1	54	0.0	-68.39	380.91	12.22	-56.17
C#CC[NH+]1CCC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC1	REAL300007265666	0	46	0.0	-81.87	338.82	9.75	-72.12
CCC[N@@H+]1CCCCC1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265668	0	50	0.0	-26.51	318.88	9.01	-17.50
CCC[N@H+]1CCCCC1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265668	1	50	0.0	-74.53	342.72	9.68	-64.85
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265670	0	47	0.0	-68.09	341.96	10.32	-57.77
CC[NH+]1CCN(CCC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC1	REAL300007265672	0	52	0.0	-76.41	371.65	7.81	-68.60
CCN1CC[NH+](CCC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC1	REAL300007265672	1	52	0.0	-77.17	372.15	7.84	-69.33
CC(C)C(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)[NH+]1CCCCC1	REAL300007265674	0	53	0.0	-73.39	344.65	9.84	-63.55
C[NH+](C)C(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)C1=CC=CC=C1	REAL300007265675	1	47	0.0	-73.49	339.93	10.16	-63.33
O=C([O-])C1CC2CC1CN(C(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007265679	0	52	0.0	-72.71	374.72	8.41	-64.30
O=C([O-])C1CC2CC1CN(C(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007265679	1	52	0.0	-56.94	359.80	8.83	-48.11
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265685	1	48	0.0	-69.45	359.00	10.33	-59.12
C[NH+](C)CC1=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)OC2=CC=CC=C21	REAL300007265686	0	50	0.0	-66.23	376.06	11.03	-55.20
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300007265691	0	51	0.0	-71.05	335.05	9.52	-61.53
O=C([O-])C1CC2CC1CN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300007265691	1	51	0.0	-71.25	356.16	10.46	-60.79
O=C([O-])C1CC2CC1CN(C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1)C2	REAL300007265719	1	52	0.0	-64.16	382.23	11.85	-52.31
CC(C)C(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)[NH+]1CC(C)OC(C)C1	REAL300007265720	1	57	0.0	-68.01	391.20	9.70	-58.31
CC(C(=O)N1CC2CC(C1)C(C(=O)[O-])C2)[NH+]1CCCCCC1	REAL300007265721	0	50	0.0	-59.77	338.16	9.47	-50.30
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)=CC=C1N2	REAL300007265757	1	52	0.0	-76.12	384.35	10.66	-65.46
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)=CC=C1N2	REAL300007265757	1	52	0.0	-95.12	386.14	10.67	-84.45
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)O1	REAL300007265815	0	50	0.0	-83.19	352.70	10.80	-72.39
O=C([O-])C1CC2CC1CN(C(=O)CCCC[NH+]1CCCC1)C2	REAL300007265816	0	50	0.0	-78.46	363.26	10.38	-68.08
CC1=CC=C(N2CCC(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)CC2)[NH+]=C1	REAL300007265818	1	53	0.0	-76.71	382.37	9.97	-66.74
C[N@H+](CC(=O)N1CC2CC(C1)C(C(=O)[O-])C2)CC1=CC=CC=C1	REAL300007265819	1	47	0.0	-76.88	349.70	10.68	-66.20
C[N@@H+](CC(=O)N1CC2CC(C1)C(C(=O)[O-])C2)CC1=CC=CC=C1	REAL300007265819	1	47	0.0	-77.35	349.71	10.68	-66.67
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)C=C2)CC1	REAL300007265823	0	59	0.0	-73.40	419.38	10.65	-62.75
O=C([O-])C1CC2CC1CN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300007265837	1	42	0.0	-81.61	329.46	8.23	-73.38
C[NH+](C)CC1=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=NO1	REAL300007265866	1	43	0.0	-77.64	329.32	8.44	-69.20
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265872	0	54	0.0	-77.20	383.40	12.27	-64.93
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007265872	1	54	0.0	-56.88	380.50	12.09	-44.79
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=C1	REAL300007265896	0	55	0.0	-75.58	414.45	11.60	-63.98
C[NH+]1CCC(OCC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC1	REAL300007265913	0	48	0.0	-84.31	353.27	9.30	-75.01
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300007265919	0	51	0.0	-83.98	362.06	11.53	-72.45
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)[C@@H](C(F)(F)F)C1	REAL300007265960	0	53	0.0	-73.07	366.50	10.52	-62.55
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)[C@@H](C(F)(F)F)C1	REAL300007265960	1	53	0.0	-70.09	386.25	10.29	-59.80
CCC[N@@H+]1CCCC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C1	REAL300007266104	0	50	0.0	-65.89	344.70	10.08	-55.81
CCC[N@H+]1CCCC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C1	REAL300007266104	1	50	0.0	-72.89	355.92	10.00	-62.89
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007266136	0	50	0.0	-70.45	351.81	9.99	-60.46
CC(C)C[N@H+]1CCCC1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007266136	1	50	0.0	-44.27	330.49	9.96	-34.31
O=C([O-])C1CC2CC1CN(C(=O)C[NH+]1CCC(CO)CC1)C2	REAL300007266139	0	48	0.0	-74.69	346.97	6.30	-68.39
O=C([O-])C1CC2CC1CN(C(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)C2	REAL300007266233	0	55	0.0	-60.43	374.50	12.66	-47.77
O=C([O-])C1CC2CC1CN(C(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)C2	REAL300007266233	1	55	0.0	-87.31	394.60	12.19	-75.12
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C2	REAL300007266271	1	54	0.0	-65.01	394.36	12.23	-52.78
O=C([O-])C1CC2CC1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C2	REAL300007266271	1	54	0.0	-45.80	374.21	11.86	-33.94
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C1	REAL300007266360	0	50	0.0	-64.86	338.43	9.80	-55.06
CC(C)[N@H+]1CCCC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C1	REAL300007266360	1	50	0.0	-38.45	325.79	9.49	-28.96
C[N@@H+]1CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300007266361	0	44	0.0	-54.22	306.70	8.63	-45.59
C[N@H+]1CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300007266361	1	44	0.0	-92.13	334.12	8.70	-83.43
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)N1	REAL300007266387	1	45	0.0	-69.52	343.09	8.42	-61.10
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=C1	REAL300007266861	0	50	0.0	-80.52	357.68	11.76	-68.76
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=C1	REAL300007266867	0	51	0.0	-83.12	380.56	10.05	-73.07
O=C([O-])C1CC2CC1CN(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300007266957	0	57	0.0	-72.63	412.75	13.09	-59.54
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)C=C2)CCO1	REAL300007266959	1	55	0.0	-90.86	391.26	10.47	-80.39
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)C=C2)CCO1	REAL300007266959	1	55	0.0	-90.19	404.93	10.51	-79.68
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)CC1	REAL300007267002	0	50	0.0	-74.78	341.95	9.61	-65.17
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)=CN21	REAL300007267007	0	42	0.0	-76.31	329.29	10.25	-66.06
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C1	REAL300007267068	0	53	0.0	-50.74	352.70	10.82	-39.92
CC(C)C[N@H+]1CCCC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C1	REAL300007267068	1	53	0.0	-59.64	363.65	10.84	-48.80
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)O1	REAL300007267073	1	44	0.0	-85.53	320.46	9.68	-75.85
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C1	REAL300007267078	0	53	0.0	-88.37	327.13	8.88	-79.49
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C1	REAL300007267078	1	53	0.0	-71.43	322.26	9.26	-62.17
O=C([O-])C1CC2CC1CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300007267081	0	46	0.0	-64.16	307.38	8.82	-55.34
O=C([O-])C1CC2CC1CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300007267081	1	46	0.0	-64.05	326.07	10.32	-53.73
CC(C)(C)OCC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007267162	0	56	0.0	-46.25	404.55	9.33	-36.92
CC(C)(C)OCC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007267162	1	56	0.0	-43.54	397.02	8.87	-34.67
CC(C)(C)OCC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007267286	0	56	0.0	-47.46	403.67	9.31	-38.15
CC(C)(C)OCC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007267286	1	56	0.0	-44.24	397.03	8.86	-35.38
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007267365	0	47	0.0	-72.57	350.35	9.17	-63.40
CC(SC1=CC=CC=C1C(=O)N1CCCC[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300007267366	0	50	0.0	-67.46	376.77	10.70	-56.76
CCOC1=CC(C(=O)N2CCCC[C@H]([NH+](C)C)C2)=CC=C1OCC(=O)[O-]	REAL300007267367	0	54	0.0	-76.75	401.38	9.86	-66.89
C[NH+](C)[C@H]1CCCCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007267368	0	49	0.0	-74.81	366.95	10.79	-64.02
C[NH+](C)[C@H]1CCCCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007267369	0	47	0.0	-79.19	349.41	10.25	-68.94
C[NH+](C)[C@H]1CCCCN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007267370	0	51	0.0	-73.35	399.70	5.65	-67.70
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300007267371	0	45	0.0	-69.38	347.21	9.58	-59.80
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300007267372	0	45	0.0	-69.38	347.21	9.58	-59.80
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCC[C@H]([NH+](C)C)C2)C=C1	REAL300007267373	0	53	0.0	-75.24	395.18	10.49	-64.75
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300007267374	0	50	0.0	-76.30	375.40	9.98	-66.32
C[NH+](C)[C@H]1CCCCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300007267375	0	49	0.0	-67.14	357.98	10.51	-56.63
CC1=CC(C(=O)N2CCCC[C@H]([NH+](C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300007267376	0	53	0.0	-76.04	374.52	9.92	-66.12
C[NH+](C)[C@H]1CCCCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300007267377	0	46	0.0	-76.41	345.59	9.98	-66.43
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300007267378	0	43	0.0	-70.96	314.32	8.66	-62.30
C[NH+](C)[C@H]1CCCCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007267379	0	46	0.0	-77.05	345.60	9.99	-67.06
CC1=NC(C(=O)N2CCCC[C@H]([NH+](C)C)C2)=CC=C1C(=O)[O-]	REAL300007267380	0	45	0.0	-65.47	335.84	8.64	-56.83
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300007267381	0	43	0.0	-62.97	340.35	9.51	-53.46
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300007267382	0	46	0.0	-68.37	341.44	9.66	-58.71
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300007267383	0	53	0.0	-70.62	392.19	12.71	-57.91
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCC[C@H]([NH+](C)C)C1	REAL300007267384	0	46	0.0	-70.09	350.74	8.81	-61.28
C[NH+](C)[C@H]1CCCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300007267385	0	52	0.0	-66.88	357.31	9.99	-56.89
C[NH+](C)[C@H]1CCCCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300007267386	0	50	0.0	-75.45	346.91	9.36	-66.09
C[NH+](C)[C@H]1CCCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300007267387	0	53	0.0	-72.89	355.42	9.60	-63.29
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300007267388	0	45	0.0	-86.76	349.77	7.96	-78.80
C[NH+](C)[C@H]1CCCCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300007267389	0	50	0.0	-71.40	378.94	9.69	-61.71
C[NH+](C)[C@H]1CCCCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300007267390	0	56	0.0	-70.14	399.81	12.22	-57.92
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300007267391	0	44	0.0	-67.41	337.97	8.95	-58.46
C[NH+](C)[C@H]1CCCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300007267392	0	50	0.0	-62.01	352.74	9.65	-52.36
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300007267393	0	47	0.0	-70.36	350.00	9.18	-61.18
C[NH+](C)[C@H]1CCCCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300007267394	0	52	0.0	-75.82	387.77	9.78	-66.04
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300007267395	0	46	0.0	-69.05	342.39	9.71	-59.34
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300007267396	0	47	0.0	-73.90	352.27	10.22	-63.68
C[NH+](C)[C@H]1CCCCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300007267397	0	44	0.0	-75.98	336.39	8.61	-67.37
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300007267398	0	49	0.0	-64.31	357.53	10.37	-53.94
C[NH+](C)[C@H]1CCCCN(C(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300007267399	0	46	0.0	-75.56	353.71	5.08	-70.48
C[NH+](C)[C@H]1CCCCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300007267400	0	44	0.0	-58.43	337.91	8.93	-49.50
CC1=CC=C(C(=O)N2CCCC[C@H]([NH+](C)C)C2)C=C1C(=O)[O-]	REAL300007267401	0	46	0.0	-75.99	339.39	9.51	-66.48
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCC[C@H]([NH+](C)C)C1	REAL300007267402	0	45	0.0	-65.96	336.66	7.77	-58.19
C[NH+](C)[C@H]1CCCCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300007267403	0	49	0.0	-84.64	370.55	8.85	-75.79
C[NH+](C)[C@H]1CCCCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300007267404	0	50	0.0	-74.23	361.11	9.05	-65.18
C[NH+](C)[C@H]1CCCCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300007267405	0	50	0.0	-67.24	363.08	8.13	-59.11
C[NH+](C)[C@H]1CCCCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300007267406	0	51	0.0	-55.78	348.30	10.25	-45.53
C[NH+](C)[C@H]1CCCCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300007267408	0	50	0.0	-64.41	362.91	10.86	-53.55
C[NH+](C)[C@H]1CCCCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300007267409	0	50	0.0	-71.40	378.94	9.69	-61.71
C[NH+](C)[C@H]1CCCCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300007267410	0	50	0.0	-86.18	378.95	11.38	-74.80
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCC[C@H]([NH+](C)C)C1	REAL300007267411	0	46	0.0	-69.62	338.58	9.57	-60.05
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCC[C@H]([NH+](C)C)C1	REAL300007267412	0	45	0.0	-67.88	328.95	7.64	-60.24
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCC[C@H]([NH+](C)C)C1	REAL300007267413	0	46	0.0	-72.52	339.89	9.56	-62.96
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300007267414	0	43	0.0	-68.84	322.60	9.09	-59.75
C[NH+](C)[C@H]1CCCCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300007267415	0	50	0.0	-70.10	360.13	10.10	-60.00
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCC[C@H]([NH+](C)C)C2)=C1	REAL300007267416	0	46	0.0	-61.99	346.34	7.39	-54.60
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300007267417	0	49	0.0	-69.61	363.79	10.51	-59.10
C[NH+](C)[C@H]1CCCCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300007267418	0	47	0.0	-68.52	353.57	9.74	-58.78
CC1=C(C(=O)N2CCCC[C@H]([NH+](C)C)C2)C=C(C(=O)[O-])S1	REAL300007267419	0	43	0.0	-67.56	331.29	8.83	-58.73
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300007267420	0	43	0.0	-72.42	350.43	9.71	-62.71
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCC[C@H]([NH+](C)C)C2)=C1	REAL300007267421	0	47	0.0	-78.31	346.68	8.28	-70.03
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCCC[C@H]([NH+](C)C)C1	REAL300007267422	0	46	0.0	-66.38	349.06	9.69	-56.69
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300007267423	0	46	0.0	-74.97	355.74	10.40	-64.57
C[NH+](C)[C@H]1CCCCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300007267424	0	48	0.0	-72.19	354.44	8.76	-63.43
C[NH+](C)[C@H]1CCCCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007267425	0	47	0.0	-79.17	349.58	10.28	-68.89
C[NH+](C)[C@H]1CCCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300007267426	0	50	0.0	-62.01	352.74	9.65	-52.36
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300007267427	0	44	0.0	-39.96	327.32	8.88	-31.08
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300007267428	0	44	0.0	-69.58	333.77	8.80	-60.78
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300007267429	0	44	0.0	-67.88	333.96	7.68	-60.20
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCC[C@H]([NH+](C)C)C1	REAL300007267430	0	46	0.0	-72.61	334.02	9.50	-63.11
C[NH+](C)[C@H]1CCCCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300007267431	0	46	0.0	-77.12	345.57	8.49	-68.63
C[NH+](C)[C@H]1CCCCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300007267432	0	48	0.0	-60.02	336.34	7.40	-52.62
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300007267433	0	49	0.0	-76.40	359.33	11.01	-65.39
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCC[C@H]([NH+](C)C)C1	REAL300007267434	0	49	0.0	-78.69	362.33	10.46	-68.23
C[NH+](C)[C@H]1CCCCN(C(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300007267435	0	43	0.0	-73.24	337.18	9.14	-64.10
C[NH+](C)[C@H]1CCCCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300007267436	0	46	0.0	-80.02	350.18	10.02	-70.00
C[NH+](C)[C@H]1CCCCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300007267437	0	50	0.0	-71.39	372.93	10.65	-60.74
C[NH+](C)[C@H]1CCCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300007267438	0	53	0.0	-72.89	355.42	9.60	-63.29
CC1=CC2=NC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300007267510	0	45	0.0	-54.28	352.93	8.32	-45.96
CC1=CC2=NC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300007267510	1	45	0.0	-53.27	347.41	8.35	-44.92
COC1=C2NC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=CC=C1	REAL300007267633	0	51	0.0	-53.53	393.43	7.51	-46.02
COC1=C2NC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=CC=C1	REAL300007267633	1	51	0.0	-50.33	391.52	7.06	-43.27
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3C(=O)CNC3=O)C=C2)C1	REAL300007267766	0	46	0.0	-58.46	361.03	5.31	-53.15
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3C(=O)CNC3=O)C=C2)C1	REAL300007267766	1	46	0.0	-57.90	355.02	5.36	-52.54
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300007269587	0	58	0.0	-74.90	401.14	10.07	-64.83
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300007269611	0	55	0.0	-62.47	385.89	9.29	-53.18
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300007269611	1	55	0.0	-70.02	383.14	9.28	-60.74
CC1=[NH+]C=C2CCC(C(=O)N3CCC([C@H]4CCOC[C@H]4C(=O)[O-])CC3)CN12	REAL300007269617	1	56	0.0	-63.59	400.51	9.92	-53.67
C[N@@H+]1CCCCC1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007269684	0	54	0.0	-62.30	373.66	8.99	-53.31
C[N@H+]1CCCCC1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007269684	1	54	0.0	-63.31	364.85	8.50	-54.81
CC(C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300007269685	1	59	0.0	-71.81	403.42	7.06	-64.75
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007269720	0	54	0.0	-62.25	372.96	8.96	-53.29
C[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007269720	1	54	0.0	-73.03	363.31	8.46	-64.57
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CC1CCC(C)[NH+]1CC(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270563	0	57	0.0	-62.46	391.74	9.34	-53.12
C[NH+](C)CC1=CC=CC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)=C1	REAL300007270564	0	57	0.0	-75.27	412.02	10.62	-64.65
C[NH+](C)C1(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)CCC1	REAL300007270596	0	54	0.0	-63.89	361.01	8.25	-55.64
C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)CC1	REAL300007270618	0	56	0.0	-84.76	402.87	10.15	-74.61
CCC[N@@H+]1CCCCC1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270620	0	60	0.0	-69.88	413.02	10.30	-59.58
CCC[N@H+]1CCCCC1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270620	1	60	0.0	-62.24	405.97	10.06	-52.18
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270621	0	57	0.0	-68.32	405.98	10.52	-57.80
CC[NH+]1CCN(CCC(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)CC1	REAL300007270623	0	62	0.0	-78.08	431.04	7.91	-70.17
CCN1CC[NH+](CCC(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)CC1	REAL300007270623	1	62	0.0	-78.35	431.54	7.98	-70.37
CC(C)[N@H+](C)CC(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270624	0	53	0.0	-65.19	368.56	8.61	-56.58
CC(C)[N@@H+](C)CC(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270624	1	53	0.0	-64.90	368.57	8.62	-56.28
CC(C)C(C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300007270625	0	63	0.0	-61.52	415.01	10.96	-50.56
C[NH+](C)C(C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300007270626	1	57	0.0	-64.02	400.56	10.49	-53.53
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270633	1	58	0.0	-62.50	417.84	10.49	-52.01
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300007270639	0	61	0.0	-62.07	406.97	11.00	-51.07
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300007270639	1	61	0.0	-69.29	419.04	10.74	-58.55
CC[N@H+](CC(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1)C1CC1	REAL300007270641	0	54	0.0	-62.50	380.98	9.32	-53.18
CC[N@@H+](CC(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1)C1CC1	REAL300007270641	1	54	0.0	-71.07	380.52	9.45	-61.62
CC(C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1)[NH+]1CCCCCC1	REAL300007270661	0	60	0.0	-62.53	400.19	9.64	-52.89
C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270664	0	51	0.0	-70.25	355.98	8.17	-62.08
C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270664	1	51	0.0	-63.80	352.38	7.99	-55.81
CC(C)(C)[NH2+]CC(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270727	0	53	0.0	-72.80	373.06	7.13	-65.67
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)O1	REAL300007270728	0	60	0.0	-75.57	429.09	10.50	-65.07
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300007270729	0	60	0.0	-71.92	424.45	10.71	-61.21
C[N@H+](CC(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300007270731	1	57	0.0	-71.14	410.80	11.01	-60.13
C[N@@H+](CC(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300007270731	1	57	0.0	-78.61	410.76	10.99	-67.62
CC(C)[C@@H](C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1)[NH+](C)C	REAL300007270739	0	56	0.0	-63.29	375.00	8.90	-54.39
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300007270757	1	52	0.0	-78.04	391.39	8.57	-69.47
C[NH+](C)CC1=CC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)=NO1	REAL300007270775	1	53	0.0	-80.78	388.38	8.59	-72.19
CC(C)[N@@H+]1CCCC1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270788	0	57	0.0	-64.99	380.38	9.48	-55.51
CC(C)[N@H+]1CCCC1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270788	1	57	0.0	-62.00	383.89	9.62	-52.38
C[NH+]1CCC(OCC(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)CC1	REAL300007270807	0	58	0.0	-82.65	414.04	9.58	-73.07
CCC[N@@H+]1CCCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007270949	0	60	0.0	-69.35	414.77	10.15	-59.20
CCC[N@H+]1CCCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007270949	1	60	0.0	-67.63	408.98	10.32	-57.31
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270972	0	60	0.0	-63.52	412.45	10.26	-53.26
CC(C)C[N@H+]1CCCC1C(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)[O-])CC1	REAL300007270972	1	60	0.0	-71.98	411.39	9.98	-62.00
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300007270973	0	58	0.0	-77.17	407.52	6.58	-70.59
CC(C)[N@@H+]1CCCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271153	0	60	0.0	-69.51	411.94	10.10	-59.41
CC(C)[N@H+]1CCCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271153	1	60	0.0	-68.72	402.74	9.99	-58.73
C[N@@H+]1CC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300007271154	0	54	0.0	-69.60	387.67	8.63	-60.97
C[N@H+]1CC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300007271154	1	54	0.0	-83.97	382.51	8.92	-75.05
CC1=C(C)[NH+]=C(CCC(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)N1	REAL300007271177	1	55	0.0	-63.73	402.64	8.62	-55.11
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)=C1	REAL300007271560	0	60	0.0	-76.95	434.51	11.46	-65.49
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271681	0	54	0.0	-68.38	381.60	9.02	-59.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)CC1	REAL300007271685	0	60	0.0	-64.88	402.99	9.88	-55.00
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271740	0	63	0.0	-63.45	425.51	11.05	-52.40
CC(C)C[N@H+]1CCCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271740	1	63	0.0	-63.45	425.51	11.05	-52.40
CC[N@@H+]1CCCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271741	0	57	0.0	-81.95	395.36	9.59	-72.36
CC[N@H+]1CCCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271741	1	57	0.0	-81.95	395.36	9.59	-72.36
C[N@@H+]1CCCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271746	0	54	0.0	-78.64	377.29	8.92	-69.72
C[N@H+]1CCCC(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271746	1	54	0.0	-78.64	377.29	8.92	-69.72
CN(C)CC1=CC=C(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)O1	REAL300007271748	0	54	0.0	-74.40	392.82	8.92	-65.48
C[NH+](C)CC1=CC=C(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)O1	REAL300007271748	1	54	0.0	-74.40	392.82	8.92	-65.48
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271754	0	63	0.0	-71.46	410.56	9.35	-62.11
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C1	REAL300007271754	1	63	0.0	-71.46	410.56	9.35	-62.11
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300007271757	0	56	0.0	-63.60	382.99	10.19	-53.41
CC1=CN2C=C(NC(=O)CN3CCCC(C(=O)[O-])C3)C=CC2=N1	REAL300007271815	0	43	0.0	-55.50	334.99	8.04	-47.46
CC1=CN2C=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=CC2=N1	REAL300007271815	1	43	0.0	-58.39	336.30	8.48	-49.91
CC1=CN2C=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=CC2=N1	REAL300007271815	1	43	0.0	-58.39	336.30	8.48	-49.91
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(C=CCO3)CC2)C1	REAL300007271896	0	46	0.0	-47.20	340.77	7.52	-39.68
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(C=CCO3)CC2)C1	REAL300007271896	1	46	0.0	-47.20	340.77	7.52	-39.68
CC(C)OC1=CC(F)=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300007272040	1	47	0.0	-50.31	359.61	7.77	-42.54
CC(C)OC1=CC(F)=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300007272040	1	47	0.0	-52.16	360.41	8.22	-43.94
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3CNS(=O)(=O)C3=C2)C1	REAL300007272164	1	43	0.0	-56.49	343.17	2.73	-53.76
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3CNS(=O)(=O)C3=C2)C1	REAL300007272164	1	43	0.0	-58.00	342.36	2.28	-55.72
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC23CCCC3)C1	REAL300007272251	0	48	0.0	-47.19	333.27	7.36	-39.83
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC23CCCC3)C1	REAL300007272251	1	48	0.0	-47.30	338.89	7.24	-40.06
O=C([O-])C1CCC[N@@H+](CC(=O)N2[C@H](CO)CC[C@H]2CO)C1	REAL300007272300	0	45	0.0	-46.49	324.76	1.55	-44.94
O=C([O-])C1CCC[N@H+](CC(=O)N2[C@H](CO)CC[C@H]2CO)C1	REAL300007272300	1	45	0.0	-42.88	322.66	1.08	-41.80
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2C2=CC=CN=C2)C1	REAL300007272418	0	49	0.0	-48.31	386.46	9.02	-39.29
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2C2=CC=CN=C2)C1	REAL300007272418	1	49	0.0	-50.18	380.24	8.99	-41.19
CC1CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300007272532	0	47	0.0	-49.81	353.28	8.23	-41.58
CC1CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300007272532	1	47	0.0	-50.71	359.49	8.24	-42.47
CC1=CSC(CCN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300007272633	0	45	0.0	-52.53	356.41	7.95	-44.58
CC1=CSC(CCN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300007272633	1	45	0.0	-52.65	356.78	8.00	-44.65
CN1N=CC2=C1CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300007272739	0	47	0.0	-54.83	358.24	6.86	-47.97
CN1N=CC2=C1CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300007272739	1	47	0.0	-55.59	359.44	6.90	-48.69
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2COC(F)F)C1	REAL300007272846	0	47	0.0	-47.84	348.39	8.60	-39.24
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2COC(F)F)C1	REAL300007272846	1	47	0.0	-47.22	341.85	8.66	-38.56
CC12CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)(C1)C(C)(C)O2	REAL300007272918	0	48	0.0	-48.86	347.36	5.93	-42.93
CC12CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)(C1)C(C)(C)O2	REAL300007272918	1	48	0.0	-50.71	353.52	5.91	-44.80
C[C@@H]1C[C@]1(CC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007273010	0	50	0.0	-46.90	386.09	10.47	-36.43
C[C@@H]1C[C@]1(CC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007273010	1	50	0.0	-44.13	378.31	10.02	-34.11
CN1C=C([C@@H]2C[C@H]2CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=N1	REAL300007273116	0	54	0.0	-52.66	412.48	10.93	-41.73
CN1C=C([C@@H]2C[C@H]2CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=N1	REAL300007273116	1	54	0.0	-48.20	403.27	10.26	-37.94
CC(C)OC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300007273231	1	50	0.0	-49.47	392.24	8.74	-40.73
CC(C)OC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300007273231	1	50	0.0	-51.80	392.58	9.19	-42.61
O=C([O-])CCCC(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273382	1	61	0.0	-81.94	422.69	9.59	-72.35
CC(CC(=O)[O-])CC(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273383	1	64	0.0	-82.22	435.30	10.04	-72.18
O=C([O-])COCC(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273384	1	59	0.0	-83.81	414.83	8.82	-74.99
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273385	1	62	0.0	-49.03	420.09	9.85	-39.18
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273386	1	62	0.0	-49.03	420.09	9.85	-39.18
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273387	1	59	0.0	-82.19	409.41	10.31	-71.88
CCC(C(=O)[O-])C(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273388	1	61	0.0	-48.16	420.66	9.42	-38.74
CC(C)C(C(=O)[O-])C(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273389	1	64	0.0	-47.82	436.74	9.99	-37.83
O=C([O-])[C@@H]1C[C@H]1C(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273390	1	59	0.0	-76.85	413.64	9.71	-67.14
O=C([O-])[C@H]1C[C@@H](C(=O)NC(C[NH+]2CCOCC2)C23CC4CC(CC(C4)C2)C3)C1	REAL300007273391	1	62	0.0	-88.48	426.80	10.01	-78.47
CCCC(C(=O)[O-])C(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273392	1	64	0.0	-49.15	438.72	10.12	-39.03
COC(C(=O)[O-])C(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273393	1	59	0.0	-51.16	411.93	8.67	-42.49
C[C@]1(C(=O)NC(C[NH+]2CCOCC2)C23CC4CC(CC(C4)C2)C3)C[C@H]1C(=O)[O-]	REAL300007273394	1	62	0.0	-90.90	430.66	10.26	-80.64
CC(C(=O)[O-])C(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300007273395	1	58	0.0	-77.89	396.91	9.59	-68.30
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(N3C=CN=N3)CC2)C1	REAL300007273439	0	43	0.0	-51.26	343.57	5.81	-45.45
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(N3C=CN=N3)CC2)C1	REAL300007273439	1	43	0.0	-50.10	339.08	5.41	-44.69
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCNS(=O)(=O)CC2)C1	REAL300007273548	0	48	0.0	-52.09	343.96	4.06	-48.03
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCNS(=O)(=O)CC2)C1	REAL300007273548	1	48	0.0	-56.58	349.27	3.51	-53.07
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCCC(O)C2)C1	REAL300007273642	0	50	0.0	-50.01	355.33	4.98	-45.03
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCCC(O)C2)C1	REAL300007273642	1	50	0.0	-50.04	360.91	5.05	-44.99
O=C([O-])C1CCC[N@H+](CC(=O)NC23CCC(C(F)(F)F)(CC2)C3)C1	REAL300007273789	0	47	0.0	-50.04	361.38	8.16	-41.88
O=C([O-])C1CCC[N@@H+](CC(=O)NC23CCC(C(F)(F)F)(CC2)C3)C1	REAL300007273789	1	47	0.0	-49.46	362.07	8.14	-41.32
O=C([O-])C1=CC(CNC(=O)C2CC[NH+](C3CC3)CC2)=CC=C1C(F)(F)F	REAL300007275414	0	47	0.0	-73.70	374.79	9.25	-64.45
O=C([O-])C1=CC(CNC(=O)C2CCC[N@@H+]2C2CC2)=CC=C1C(F)(F)F	REAL300007275437	0	44	0.0	-71.91	356.45	8.77	-63.14
O=C([O-])C1=CC(CNC(=O)C2CCC[N@H+]2C2CC2)=CC=C1C(F)(F)F	REAL300007275437	1	44	0.0	-66.18	357.79	8.77	-57.41
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC=C(C(F)(F)F)C(C(=O)[O-])=C3)CN12	REAL300007275443	1	45	0.0	-66.73	372.97	9.13	-57.60
C[NH+](C)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275503	0	36	0.0	-71.89	305.34	6.39	-65.50
C[N@@H+]1CCCCC1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275504	0	43	0.0	-68.33	338.00	7.82	-60.51
C[N@H+]1CCCCC1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275504	1	43	0.0	-66.09	347.27	7.99	-58.10
CC(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300007275505	1	48	0.0	-73.28	378.60	6.23	-67.05
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275539	0	43	0.0	-66.10	347.30	8.00	-58.10
C[N@H+]1CCCC[C@H]1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275539	1	43	0.0	-70.48	337.99	7.81	-62.67
C[NH+]1CCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007275595	0	43	0.0	-73.44	349.93	8.05	-65.39
O=C([O-])C1=CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC=C1C(F)(F)F	REAL300007275625	0	38	0.0	-73.24	335.50	9.88	-63.36
C[NH+](C)CC1(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CCCCC1	REAL300007275652	0	52	0.0	-80.38	390.00	10.06	-70.32
C[N@H+](CCC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CCCCC1	REAL300007275657	0	52	0.0	-73.55	403.75	9.99	-63.56
C[N@@H+](CCC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CCCCC1	REAL300007275657	1	52	0.0	-73.11	403.76	9.98	-63.13
C[N@@H+]1CCCC1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275671	0	40	0.0	-67.85	330.43	7.46	-60.39
C[N@H+]1CCCC1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275671	1	40	0.0	-67.55	325.34	6.95	-60.60
C[NH+]1CCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007275719	0	43	0.0	-73.44	349.93	8.05	-65.39
O=C([O-])C1=CC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC=C1C(F)(F)F	REAL300007275731	0	53	0.0	-64.96	403.29	10.21	-54.75
O=C([O-])C1=CC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)=CC=C1C(F)(F)F	REAL300007275731	1	53	0.0	-66.20	398.00	10.34	-55.86
CC1=[NH+]C=CN1CCCC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275761	1	44	0.0	-69.73	376.31	9.31	-60.42
O=C([O-])C1=CC(CNC(=O)CCCC[NH+]2CCOCC2)=CC=C1C(F)(F)F	REAL300007275762	1	50	0.0	-76.69	403.61	8.00	-68.69
C[C@@H](C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+](C)C	REAL300007275768	0	39	0.0	-68.31	323.44	6.79	-61.52
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275769	0	40	0.0	-72.10	325.43	6.95	-65.15
C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275769	1	40	0.0	-67.85	330.43	7.47	-60.38
C[C@H](C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+](C)C	REAL300007275773	0	39	0.0	-70.95	323.51	6.79	-64.16
C[NH+](C)C1(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007275781	0	40	0.0	-74.35	333.87	7.77	-66.58
CCC(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+](CC)CC	REAL300007275840	0	48	0.0	-65.76	371.61	8.77	-56.99
CC(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300007275842	0	49	0.0	-72.16	400.48	10.40	-61.76
CC(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007275842	1	49	0.0	-72.03	400.22	10.40	-61.63
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300007275860	0	45	0.0	-76.43	379.27	8.42	-68.01
CCC[NH+](CCC)CCCC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275864	0	54	0.0	-73.16	427.90	10.62	-62.54
CC[N@H+](C)C(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007275865	0	49	0.0	-64.53	397.86	10.54	-53.99
CC[N@@H+](C)C(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007275865	1	49	0.0	-64.95	397.86	10.54	-54.41
C[N@@H+]1CCOC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007275866	1	41	0.0	-75.66	342.73	6.85	-68.81
C[N@H+]1CCOC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007275866	1	41	0.0	-66.33	335.61	6.70	-59.63
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275877	1	44	0.0	-66.53	370.99	9.12	-57.41
C[NH+](C)CC1(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007275889	0	43	0.0	-65.13	356.97	8.17	-56.96
C[NH+](C)CCCCC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275894	0	45	0.0	-74.94	370.70	8.53	-66.41
CC(C)C(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+](C)C	REAL300007275902	0	45	0.0	-70.81	352.74	8.63	-62.18
O=C([O-])C1=CC(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC=C1C(F)(F)F	REAL300007275916	1	46	0.0	-80.77	388.75	8.49	-72.28
C[NH+](C)CCC1=CC=C(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300007275917	0	49	0.0	-79.79	405.98	10.72	-69.07
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275924	1	42	0.0	-64.18	354.65	7.46	-56.72
CCC[N@H+](C)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275931	0	42	0.0	-71.17	344.57	7.81	-63.36
CCC[N@@H+](C)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275931	1	42	0.0	-71.16	344.57	7.81	-63.35
C[N@H+](CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CCC1	REAL300007275952	0	43	0.0	-68.76	351.56	8.38	-60.38
C[N@@H+](CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CCC1	REAL300007275952	1	43	0.0	-69.53	351.46	8.37	-61.16
CC(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+]1CCSCC1	REAL300007275967	1	44	0.0	-72.00	360.72	8.23	-63.77
C[N@H+](CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)CC(C)(C)C	REAL300007275969	0	48	0.0	-70.68	373.17	8.80	-61.88
C[N@@H+](CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)CC(C)(C)C	REAL300007275969	1	48	0.0	-70.31	374.97	8.91	-61.40
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275971	0	49	0.0	-75.43	404.48	10.83	-64.60
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275971	1	49	0.0	-75.23	404.48	10.84	-64.39
CC[C@@H](C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+](C)C	REAL300007275974	0	42	0.0	-69.80	335.99	7.39	-62.41
C[N@@H+]1CCCC(O)(CC(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007275976	0	47	0.0	-67.11	365.96	6.55	-60.56
C[N@H+]1CCCC(O)(CC(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007275976	1	47	0.0	-70.73	375.65	6.76	-63.97
CCCCCC[N@H+](C)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275996	0	51	0.0	-72.23	409.07	10.15	-62.08
CCCCCC[N@@H+](C)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007275996	1	51	0.0	-72.44	409.07	10.14	-62.30
O=C([O-])C1=CC(CNC(=O)C23CCC[NH+]2CCC3)=CC=C1C(F)(F)F	REAL300007276007	0	44	0.0	-70.15	350.00	8.39	-61.76
O=C([O-])C1=CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC=C1C(F)(F)F	REAL300007276015	1	38	0.0	-76.16	335.78	9.90	-66.26
C[N@H+](CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CCSC1	REAL300007276025	0	44	0.0	-75.14	364.83	8.62	-66.52
C[N@@H+](CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CCSC1	REAL300007276025	1	44	0.0	-76.28	364.62	8.64	-67.64
O=C([O-])C1=CC(CNC(=O)C2CCCC3CCC[N@@H+]32)=CC=C1C(F)(F)F	REAL300007276040	0	47	0.0	-64.22	369.75	9.22	-55.00
O=C([O-])C1=CC(CNC(=O)C2CCCC3CCC[N@H+]32)=CC=C1C(F)(F)F	REAL300007276040	1	47	0.0	-67.96	362.04	8.97	-58.99
C[NH+](C)CCN1C=C(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300007276041	0	46	0.0	-80.52	389.65	7.89	-72.63
CCCC(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+](C)C	REAL300007276066	0	45	0.0	-72.51	360.59	8.78	-63.73
C[NH+](C)CCN1C=CC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300007276078	0	46	0.0	-82.01	390.03	7.90	-74.11
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276079	0	46	0.0	-72.01	385.11	7.86	-64.15
C[C@@H]1[C@H](C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300007276082	0	43	0.0	-72.14	341.96	7.37	-64.77
C[C@@H]1[C@H](C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC[N@H+]1C	REAL300007276082	1	43	0.0	-71.00	348.18	7.65	-63.35
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276084	1	47	0.0	-66.66	391.30	9.60	-57.06
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300007276087	0	46	0.0	-71.23	362.04	8.12	-63.11
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC[N@H+]1C	REAL300007276087	1	46	0.0	-73.72	367.23	8.44	-65.28
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276090	1	42	0.0	-66.38	351.98	8.18	-58.20
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276090	1	42	0.0	-68.74	357.88	8.70	-60.04
CC1C[N@H+](C)CC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300007276094	1	44	0.0	-81.50	363.90	7.59	-73.91
CC1C[N@@H+](C)CC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300007276094	1	44	0.0	-80.56	357.21	7.56	-73.00
O=C([O-])C1=CC(CNC(=O)C[NH+]2CCCC2)=CC=C1C(F)(F)F	REAL300007276100	0	40	0.0	-70.24	330.82	7.54	-62.70
CC1=[NH+]C=CN1CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276102	1	38	0.0	-67.50	334.77	8.01	-59.49
CC(C[NH+]1CCOCC1)C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276104	0	47	0.0	-73.31	376.64	7.12	-66.19
CC1CC[NH+](CC(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007276123	0	46	0.0	-71.40	368.30	8.89	-62.51
CC[N@@H+]1CCOC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007276134	1	44	0.0	-73.63	360.51	7.49	-66.14
CC[N@H+]1CCOC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007276134	1	44	0.0	-79.17	360.50	7.50	-71.67
O=C([O-])C1=CC(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)=CC=C1C(F)(F)F	REAL300007276164	0	53	0.0	-70.29	410.01	10.27	-60.02
O=C([O-])C1=CC(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)=CC=C1C(F)(F)F	REAL300007276164	1	53	0.0	-71.81	410.68	10.28	-61.53
C[N@@H+]1CCCC1CCC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276169	0	46	0.0	-74.68	372.73	8.89	-65.79
C[N@H+]1CCCC1CCC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276169	1	46	0.0	-72.56	367.29	8.44	-64.12
O=C([O-])C1=CC(CNC(=O)C23CCC[NH+](CCC2)C3)=CC=C1C(F)(F)F	REAL300007276178	0	47	0.0	-73.42	362.73	8.60	-64.82
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276180	0	44	0.0	-68.32	353.06	4.74	-63.58
C[N@H+]1CC(O)CC1(C)C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276180	1	44	0.0	-74.02	353.51	4.48	-69.54
O=C([O-])C1=CC(CNC(=O)C2CCC3CCCC[N@@H+]32)=CC=C1C(F)(F)F	REAL300007276181	0	47	0.0	-65.50	367.17	8.88	-56.62
O=C([O-])C1=CC(CNC(=O)C2CCC3CCCC[N@H+]32)=CC=C1C(F)(F)F	REAL300007276181	1	47	0.0	-65.82	366.13	8.87	-56.95
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276187	0	50	0.0	-67.67	386.15	7.47	-60.20
CC[NH+](CC)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276202	0	42	0.0	-68.81	341.44	7.76	-61.05
CC(C)[NH+]1CCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007276204	0	49	0.0	-70.61	380.59	9.00	-61.61
O=C([O-])C1=CC(CNC(=O)C23CC[NH+](CC2)C3)=CC=C1C(F)(F)F	REAL300007276280	0	41	0.0	-73.33	336.96	6.91	-66.42
CCC(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+](C)C	REAL300007276283	0	42	0.0	-69.57	335.58	7.42	-62.15
O=C([O-])C1=CC(CNC(=O)C23CC[N@H+](C2)CCC3)=CC=C1C(F)(F)F	REAL300007276291	0	44	0.0	-71.88	347.27	7.63	-64.25
O=C([O-])C1=CC(CNC(=O)C23CC[N@@H+](C2)CCC3)=CC=C1C(F)(F)F	REAL300007276291	1	44	0.0	-73.84	347.22	7.61	-66.23
CC1CCC(C)[NH+]1CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276329	0	46	0.0	-67.65	362.48	8.42	-59.23
C[NH+](C)CC1=CC=CC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300007276330	0	46	0.0	-75.70	383.50	9.87	-65.83
C[NH+](C)C1(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CCC1	REAL300007276359	0	43	0.0	-74.45	339.53	7.56	-66.89
C#CC[NH+]1CCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007276380	0	45	0.0	-75.20	374.62	9.20	-66.00
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276382	0	49	0.0	-67.42	377.18	9.23	-58.19
CCC[N@H+]1CCCCC1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276382	1	49	0.0	-65.48	386.62	9.38	-56.10
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276383	0	46	0.0	-63.79	376.23	10.11	-53.68
CC[NH+]1CCN(CCC(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007276385	0	51	0.0	-72.82	403.45	7.02	-65.80
CCN1CC[NH+](CCC(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007276385	1	51	0.0	-73.52	403.95	7.05	-66.47
CC(C)[N@H+](C)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276386	0	42	0.0	-69.12	339.76	7.59	-61.53
CC(C)[N@@H+](C)CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276386	1	42	0.0	-69.11	339.76	7.60	-61.51
CC(C)C(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+]1CCCCC1	REAL300007276387	0	52	0.0	-66.70	393.86	9.87	-56.83
C[NH+](C)C(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007276388	1	46	0.0	-71.51	380.03	9.89	-61.62
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276394	1	47	0.0	-66.88	390.75	9.54	-57.34
O=C([O-])C1=CC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)=CC=C1C(F)(F)F	REAL300007276399	0	50	0.0	-70.41	381.33	9.74	-60.67
O=C([O-])C1=CC(CNC(=O)C2CCC[N@H+]2C2CCCC2)=CC=C1C(F)(F)F	REAL300007276399	1	50	0.0	-70.36	382.89	9.82	-60.54
CC[N@H+](CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CC1	REAL300007276401	0	43	0.0	-68.46	351.70	8.38	-60.08
CC[N@@H+](CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CC1	REAL300007276401	1	43	0.0	-68.69	351.72	8.43	-60.26
CC(C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+]1CCCCCC1	REAL300007276416	0	49	0.0	-68.51	376.43	9.18	-59.33
C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276419	0	40	0.0	-68.85	331.29	7.42	-61.43
C[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276419	1	40	0.0	-72.17	325.35	6.95	-65.22
CC(C)(C)[NH2+]CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276474	0	42	0.0	-70.36	344.29	6.12	-64.24
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300007276475	0	49	0.0	-75.77	401.17	9.29	-66.48
O=C([O-])C1=CC(CNC(=O)CCCC[NH+]2CCCC2)=CC=C1C(F)(F)F	REAL300007276476	0	49	0.0	-73.48	396.67	9.71	-63.77
C[N@H+](CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300007276478	1	46	0.0	-75.13	382.00	10.00	-65.13
C[N@@H+](CC(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300007276478	1	46	0.0	-75.15	382.05	9.99	-65.16
CC(C)[C@@H](C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)[NH+](C)C	REAL300007276486	0	45	0.0	-68.33	351.59	8.90	-59.43
O=C([O-])C1=CC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=CC=C1C(F)(F)F	REAL300007276504	1	41	0.0	-80.56	364.64	7.84	-72.72
C[NH+](C)CC1=CC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=NO1	REAL300007276519	1	42	0.0	-82.29	363.42	7.37	-74.92
CC(C)[N@@H+]1CCCC1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276530	0	46	0.0	-69.72	358.14	8.67	-61.05
CC(C)[N@H+]1CCCC1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276530	1	46	0.0	-66.79	364.14	8.52	-58.27
C[NH+]1CCC(OCC(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007276547	0	47	0.0	-77.96	385.30	8.49	-69.47
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007276677	0	49	0.0	-67.95	382.83	9.63	-58.32
CCC[N@H+]1CCCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007276677	1	49	0.0	-71.11	389.07	9.42	-61.69
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276697	0	49	0.0	-67.34	390.01	9.61	-57.73
CC(C)C[N@H+]1CCCC1C(=O)NCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300007276697	1	49	0.0	-67.38	390.05	9.58	-57.80
O=C([O-])C1=CC(CNC(=O)C[NH+]2CCC(CO)CC2)=CC=C1C(F)(F)F	REAL300007276698	0	47	0.0	-72.92	379.14	5.59	-67.33
CC(C)[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007276864	0	49	0.0	-66.96	377.98	9.39	-57.57
CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007276864	1	49	0.0	-66.98	377.97	9.40	-57.58
C[N@@H+]1CC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300007276865	0	43	0.0	-79.03	359.74	8.67	-70.36
C[N@H+]1CC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300007276865	1	43	0.0	-81.32	361.62	8.22	-73.10
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N1	REAL300007276887	1	44	0.0	-67.36	375.58	7.68	-59.68
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300007277237	0	49	0.0	-77.33	405.99	10.72	-66.61
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007277345	0	43	0.0	-75.11	354.89	8.12	-66.99
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300007277349	0	49	0.0	-64.49	377.63	9.07	-55.42
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007277401	0	52	0.0	-70.97	406.49	10.11	-60.86
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007277401	1	52	0.0	-70.97	406.49	10.11	-60.86
CC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007277402	0	46	0.0	-70.48	367.57	8.67	-61.81
CC[N@H+]1CCCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007277402	1	46	0.0	-70.48	367.57	8.67	-61.81
C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007277407	0	43	0.0	-73.02	349.90	8.00	-65.02
C[N@H+]1CCCC(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007277407	1	43	0.0	-73.02	349.90	8.00	-65.02
CN(C)CC1=CC=C(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300007277409	0	43	0.0	-77.55	368.83	8.10	-69.45
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300007277409	1	43	0.0	-77.55	368.83	8.10	-69.45
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007277415	0	52	0.0	-74.65	395.34	9.52	-65.13
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300007277415	1	52	0.0	-74.65	395.34	9.52	-65.13
O=C([O-])C1=CC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC=C1C(F)(F)F	REAL300007277418	0	45	0.0	-68.93	363.39	9.72	-59.21
CCOC1=CC=C(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2)C=C1	REAL300007277490	0	54	0.0	-47.09	398.47	9.00	-38.09
CCOC1=CC(NC(=O)CN2CCCC(C(=O)[O-])C2)=CC(OCC)=C1	REAL300007277608	0	51	0.0	-51.73	393.40	7.76	-43.97
CCOC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(OCC)=C1	REAL300007277608	1	51	0.0	-48.60	385.93	7.31	-41.29
CCOC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(OCC)=C1	REAL300007277608	1	51	0.0	-48.60	385.93	7.31	-41.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@@H](O)C[C@@H]2C2=NC(C3CC3)=NO2)C1	REAL300007277805	0	50	0.0	-55.71	393.99	4.13	-51.58
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@@H](O)[C@@H](O)CC3(CCOCC3)C2)C1	REAL300007277948	0	56	0.0	-50.14	378.77	1.95	-48.19
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=NC=C2F)C1	REAL300007278039	0	42	0.0	-49.42	330.73	6.01	-43.41
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=NC=C2F)C1	REAL300007278039	1	42	0.0	-51.67	332.50	6.45	-45.22
C[NH+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278268	0	33	0.0	-58.75	300.12	7.13	-51.62
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278289	0	37	0.0	-57.09	326.04	8.02	-49.07
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278289	1	37	0.0	-54.72	326.22	8.10	-46.62
C[C@@H](C(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1)[NH+](C)C	REAL300007278308	0	36	0.0	-59.47	318.44	7.47	-52.00
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278309	0	37	0.0	-53.81	318.02	7.60	-46.21
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278309	1	37	0.0	-58.30	326.68	8.12	-50.18
C[C@H](C(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1)[NH+](C)C	REAL300007278312	0	36	0.0	-59.37	318.56	7.46	-51.91
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278336	0	39	0.0	-57.40	339.38	8.55	-48.85
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278336	1	39	0.0	-58.11	339.57	8.47	-49.64
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1)[NH+](C)C	REAL300007278341	0	39	0.0	-53.27	330.56	8.14	-45.13
O=C([O-])C(NC(=O)C[NH+]1CCCC1)C1=CC=CC(I)=C1	REAL300007278354	0	37	0.0	-56.28	324.10	8.15	-48.13
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278355	1	35	0.0	-55.65	329.17	8.72	-46.93
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278367	0	39	0.0	-57.36	336.46	8.41	-48.95
CCC(C(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1)[NH+](C)C	REAL300007278372	0	39	0.0	-58.23	331.08	8.00	-50.23
CC(C)[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278383	0	39	0.0	-55.53	334.75	8.24	-47.29
CC(C)[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278383	1	39	0.0	-54.76	334.56	8.32	-46.44
C[N@@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278388	0	37	0.0	-54.37	325.42	8.07	-46.30
C[N@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278388	1	37	0.0	-58.91	320.34	7.62	-51.29
CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C1=CC=CC(I)=C1	REAL300007278396	0	39	0.0	-56.36	339.31	6.78	-49.58
NS(=O)(=O)NCCC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007278542	0	53	0.0	-56.33	405.51	2.28	-54.05
NS(=O)(=O)NCCC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007278542	1	53	0.0	-53.56	398.04	1.82	-51.74
COC1(C(F)(F)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300007278717	1	50	0.0	-46.25	365.79	6.61	-39.64
COC1(C(F)(F)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300007278717	1	50	0.0	-44.95	363.83	6.15	-38.80
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC(O)C2=CC=C(Br)C=C2)C1	REAL300007278921	0	47	0.0	-51.53	382.09	6.43	-45.10
O=C([O-])C1CCC[N@H+](CC(=O)NCCC(O)C2=CC=C(Br)C=C2)C1	REAL300007278921	1	47	0.0	-52.19	388.11	6.48	-45.71
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300007280276	0	54	0.0	-76.55	398.28	11.63	-64.92
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C[C@H]2C1	REAL300007281046	0	51	0.0	-63.67	375.79	10.66	-53.01
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C[C@H]2C1	REAL300007281046	1	51	0.0	-66.76	375.68	10.66	-56.10
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@@H+]3CC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300007281895	1	51	0.0	-66.45	392.67	11.20	-55.25
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@H+]3CC3=CC=C(Cl)C=C3)C[C@H]2C1	REAL300007281895	1	51	0.0	-67.26	394.32	11.28	-55.98
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@H]2C1	REAL300007281970	0	48	0.0	-71.54	353.43	9.53	-62.01
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)CN12	REAL300007281998	1	46	0.0	-65.40	343.73	9.01	-56.39
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C[C@H]2C1	REAL300007281999	0	54	0.0	-71.03	402.51	11.69	-59.34
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)CC2)=CS1	REAL300007282075	1	53	0.0	-75.43	405.69	9.39	-66.04
CC(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)N1CC[NH+](C)CC1	REAL300007282076	1	49	0.0	-72.40	349.51	6.25	-66.15
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=C1	REAL300007282160	0	57	0.0	-75.77	433.38	11.35	-64.42
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=C1	REAL300007282172	0	57	0.0	-80.75	431.19	13.28	-67.47
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=C1	REAL300007282172	1	57	0.0	-75.23	432.98	13.33	-61.90
CC1(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007282174	0	57	0.0	-71.95	404.27	11.66	-60.29
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CCCCC1	REAL300007282259	0	53	0.0	-76.54	355.65	9.59	-66.95
C[N@H+](CCC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)C1CCCCC1	REAL300007282263	0	53	0.0	-67.29	379.53	10.27	-57.02
C[N@@H+](CCC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)C1CCCCC1	REAL300007282263	1	53	0.0	-72.49	377.71	10.21	-62.28
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300007282286	1	54	0.0	-69.65	394.75	11.47	-58.18
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@H+]3CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300007282286	1	54	0.0	-71.36	402.91	11.75	-59.61
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300007282287	1	51	0.0	-67.29	382.35	10.74	-56.55
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)C[C@H]2C1	REAL300007282287	1	51	0.0	-68.06	384.00	10.83	-57.23
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C[C@H]2C1	REAL300007282344	0	47	0.0	-75.96	364.60	8.79	-67.17
C[NH+](C)CCN1N=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=C1C1=CC=CC=C1	REAL300007282349	0	57	0.0	-80.38	432.83	10.92	-69.46
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1	REAL300007282374	0	54	0.0	-62.98	369.94	10.29	-52.69
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@H+]3C3CCCC3)C[C@H]2C1	REAL300007282374	1	54	0.0	-64.38	368.43	10.17	-54.21
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C[C@H]2C1	REAL300007282375	0	55	0.0	-74.91	382.45	8.50	-66.41
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282406	1	45	0.0	-68.72	351.46	9.51	-59.21
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@H]2C1	REAL300007282407	1	51	0.0	-76.41	377.59	8.19	-68.22
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=C1)C(C)C	REAL300007282409	0	56	0.0	-76.82	393.49	11.00	-65.82
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=C1)C(C)C	REAL300007282409	1	56	0.0	-75.15	392.81	10.81	-64.34
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C[C@H]2C1	REAL300007282434	0	51	0.0	-73.41	381.85	10.89	-62.52
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C[C@H]2C1	REAL300007282434	1	51	0.0	-71.70	382.22	10.93	-60.77
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CC[NH+](C4CCSC4)CC3)C[C@H]2C1	REAL300007282435	0	52	0.0	-79.59	379.91	10.23	-69.36
C[NH+]1CCN(C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C2=CC=CC=C2)CC1	REAL300007282464	1	56	0.0	-68.87	404.19	8.85	-60.02
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@H]2C1	REAL300007282465	0	55	0.0	-70.62	375.82	8.49	-62.13
CC(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)[N@H+](C)CC1=CC=CC=C1	REAL300007282468	0	50	0.0	-69.92	372.81	10.53	-59.39
CC(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007282468	1	50	0.0	-66.56	372.40	10.49	-56.07
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)C[C@H]2C1	REAL300007282479	0	57	0.0	-68.85	412.90	12.37	-56.48
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)C[C@H]2C1	REAL300007282479	1	57	0.0	-65.99	414.71	12.63	-53.36
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=N1	REAL300007282508	0	46	0.0	-76.03	349.64	7.74	-68.29
CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282519	0	55	0.0	-73.15	397.40	10.53	-62.62
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)C[C@H]2C1	REAL300007282520	1	55	0.0	-67.90	406.23	8.50	-59.40
CC[N@H+](C)C(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)C1=CC=CC=C1	REAL300007282521	0	50	0.0	-62.44	369.23	10.47	-51.97
CC[N@@H+](C)C(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)C1=CC=CC=C1	REAL300007282521	1	50	0.0	-65.65	367.26	10.51	-55.14
CC[NH+](CC)C(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)C1=CC=CC=C1	REAL300007282526	0	53	0.0	-67.21	376.54	11.06	-56.15
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282532	1	45	0.0	-64.71	348.69	9.37	-55.34
C[NH+](C)C(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)C1=CC=C(Cl)C=C1	REAL300007282534	1	47	0.0	-67.66	368.05	10.34	-57.32
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C[C@H]2C1	REAL300007282548	0	51	0.0	-77.85	377.46	10.74	-67.11
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C[C@H]2C1	REAL300007282555	0	54	0.0	-74.87	395.76	11.48	-63.39
CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)CC2)CC1	REAL300007282562	0	62	0.0	-75.40	432.04	9.35	-66.05
CC1C[NH+](CC2=CC=C(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)C=C2)CC(C)O1	REAL300007282569	1	58	0.0	-79.40	422.08	10.58	-68.82
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)C[C@H]2C1	REAL300007282580	1	55	0.0	-77.74	403.26	10.62	-67.12
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)C[C@H]2C1	REAL300007282580	1	55	0.0	-80.14	413.87	11.16	-68.98
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C[C@H]2C1	REAL300007282595	0	54	0.0	-67.50	384.81	11.23	-56.27
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C[C@H]2C1	REAL300007282595	1	54	0.0	-63.82	396.99	11.65	-52.17
CC1=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=NN1C1=CC=[NH+]C=C1	REAL300007282597	1	45	0.0	-79.39	348.42	8.07	-71.32
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C[C@H]2C1	REAL300007282605	0	54	0.0	-78.00	395.08	11.51	-66.49
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C[C@H]2C1	REAL300007282617	1	47	0.0	-78.48	361.00	9.00	-69.48
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=C1	REAL300007282618	0	50	0.0	-80.15	376.02	10.50	-69.65
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282629	1	43	0.0	-62.20	328.70	7.22	-54.98
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)C[C@H]2C1	REAL300007282630	1	52	0.0	-75.81	389.56	10.42	-65.39
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)C[C@H]2C1	REAL300007282630	1	52	0.0	-70.65	382.21	10.26	-60.39
CC(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007282644	0	60	0.0	-68.20	435.96	12.97	-55.23
CC(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)[NH+]1CCSCC1	REAL300007282684	1	45	0.0	-70.01	331.68	8.28	-61.73
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282691	0	50	0.0	-72.95	378.67	11.03	-61.92
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282691	1	50	0.0	-73.47	378.46	11.02	-62.45
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282692	0	54	0.0	-72.13	407.46	7.22	-64.91
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282692	1	54	0.0	-73.91	407.48	7.24	-66.67
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C1	REAL300007282696	0	48	0.0	-70.95	346.81	7.05	-63.90
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C1	REAL300007282696	1	48	0.0	-68.43	349.53	6.99	-61.44
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CCC[NH+]3CCN(C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300007282706	0	59	0.0	-77.89	433.61	10.74	-67.15
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)C[C@H]2C1	REAL300007282707	1	53	0.0	-72.20	379.89	9.49	-62.71
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)C[C@H]2C1	REAL300007282707	1	53	0.0	-68.09	392.05	9.92	-58.17
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)C[C@H]2C1	REAL300007282708	1	53	0.0	-71.28	391.47	9.91	-61.37
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)C[C@H]2C1	REAL300007282708	1	53	0.0	-68.14	391.53	9.84	-58.30
CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282710	0	52	0.0	-64.56	384.84	10.38	-54.18
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282710	1	52	0.0	-70.09	383.03	10.34	-59.75
C[N@H+](CC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)C1CCSC1	REAL300007282739	0	45	0.0	-71.17	340.61	8.87	-62.30
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)C1CCSC1	REAL300007282739	1	45	0.0	-65.33	340.38	8.88	-56.45
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC1	REAL300007282754	0	55	0.0	-73.26	396.47	7.84	-65.42
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC1	REAL300007282754	1	55	0.0	-72.96	394.49	7.82	-65.14
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC1	REAL300007282755	0	58	0.0	-69.86	415.00	8.45	-61.41
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC1	REAL300007282755	1	58	0.0	-73.49	412.67	8.37	-65.12
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC4CCC[N@@H+]43)C[C@H]2C1	REAL300007282756	0	48	0.0	-62.12	339.76	9.08	-53.04
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC4CCC[N@H+]43)C[C@H]2C1	REAL300007282756	1	48	0.0	-65.04	331.65	8.71	-56.33
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=N1	REAL300007282758	0	47	0.0	-77.72	360.81	7.75	-69.97
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)CC2)=C1	REAL300007282765	0	59	0.0	-77.45	433.01	10.57	-66.88
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)C[C@H]2C1	REAL300007282767	0	56	0.0	-77.29	412.13	9.94	-67.35
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C[C@H]2C1	REAL300007282770	0	53	0.0	-73.72	386.21	9.99	-63.73
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C[C@H]2C1	REAL300007282770	1	53	0.0	-73.67	385.99	9.94	-63.73
CC(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007282775	1	51	0.0	-68.98	370.39	10.80	-58.18
CC(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007282775	1	51	0.0	-66.57	376.13	10.91	-55.66
CCC(CC)C(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)[NH+]1CCOCC1	REAL300007282794	1	57	0.0	-62.53	383.06	8.92	-53.61
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C[C@H]2C1	REAL300007282803	0	54	0.0	-76.17	404.52	11.84	-64.33
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C[C@H]2C1	REAL300007282803	1	54	0.0	-75.00	401.83	11.77	-63.23
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=N1	REAL300007282818	0	47	0.0	-80.74	361.48	8.36	-72.38
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282819	0	47	0.0	-66.40	354.21	7.76	-58.64
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282825	1	48	0.0	-65.06	365.87	9.85	-55.21
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=NN1	REAL300007282829	1	48	0.0	-78.17	356.10	7.58	-70.59
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=NN1	REAL300007282829	1	48	0.0	-77.04	355.15	7.32	-69.72
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)C[C@H]2C1	REAL300007282841	0	54	0.0	-73.22	407.05	11.73	-61.49
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)C[C@H]2C1	REAL300007282841	1	54	0.0	-76.89	407.15	11.77	-65.12
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C[C@H]2C1	REAL300007282842	1	50	0.0	-62.86	376.23	9.50	-53.36
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C[C@H]2C1	REAL300007282842	1	50	0.0	-69.53	374.65	9.27	-60.26
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282846	0	48	0.0	-74.40	350.52	7.12	-67.28
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)C[C@H]2C1	REAL300007282847	0	55	0.0	-76.75	409.87	9.35	-67.40
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1	REAL300007282901	0	54	0.0	-69.31	381.82	10.32	-58.99
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1	REAL300007282901	1	54	0.0	-71.09	384.40	10.43	-60.66
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1	REAL300007282920	0	48	0.0	-72.11	327.76	8.25	-63.86
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC4CCCC[N@@H+]43)C[C@H]2C1	REAL300007282924	0	48	0.0	-63.74	345.24	9.40	-54.34
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC4CCCC[N@H+]43)C[C@H]2C1	REAL300007282924	1	48	0.0	-63.30	339.91	9.00	-54.30
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CC34CCOC4)C[C@H]2C1	REAL300007282926	0	59	0.0	-77.52	430.76	10.50	-67.02
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CC34CCOC4)C[C@H]2C1	REAL300007282926	1	59	0.0	-81.63	428.16	10.73	-70.90
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007282933	0	51	0.0	-71.78	350.56	7.10	-64.68
CC(C)[N@@H+]1CCC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C(C2=CN(C)N=C2)C1	REAL300007282938	0	60	0.0	-76.21	425.98	10.21	-66.00
CC(C)[N@H+]1CCC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C(C2=CN(C)N=C2)C1	REAL300007282938	1	60	0.0	-75.75	439.95	10.51	-65.24
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=N1	REAL300007282939	0	54	0.0	-79.67	399.43	9.11	-70.56
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=N1	REAL300007282939	1	54	0.0	-74.15	384.77	8.50	-65.65
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)=C2)CC1	REAL300007282944	0	56	0.0	-81.40	414.99	9.15	-72.25
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)C=C2)CC1	REAL300007282945	0	56	0.0	-74.47	413.09	9.13	-65.34
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)C=C2)CC1	REAL300007282945	1	56	0.0	-78.89	411.61	8.97	-69.92
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=C1	REAL300007282946	0	57	0.0	-74.68	418.87	10.82	-63.86
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC1	REAL300007282952	0	50	0.0	-73.43	352.41	8.99	-64.44
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C(C[NH+]4CCC(CO)CC4)C=C3)C[C@H]2C1	REAL300007283066	0	58	0.0	-81.56	426.77	8.81	-72.75
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=C1	REAL300007283070	0	47	0.0	-77.33	354.53	9.69	-67.64
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C[C@H]2C1	REAL300007283071	0	54	0.0	-80.93	393.20	11.62	-69.31
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C[C@H]2C1	REAL300007283071	1	54	0.0	-71.61	396.51	11.50	-60.11
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC1	REAL300007283137	0	46	0.0	-75.40	346.94	9.25	-66.15
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007283139	0	50	0.0	-66.90	347.64	9.08	-57.82
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007283139	1	50	0.0	-65.56	351.13	9.26	-56.30
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007283141	0	47	0.0	-67.27	351.86	9.69	-57.58
CC[NH+]1CCN(CCC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC1	REAL300007283143	0	52	0.0	-74.93	379.22	7.28	-67.65
CCN1CC[NH+](CCC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC1	REAL300007283143	1	52	0.0	-72.90	377.93	7.26	-65.64
CC(C)C(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)[NH+]1CCCCC1	REAL300007283145	0	53	0.0	-62.52	365.24	10.13	-52.39
C[NH+](C)C(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)C1=CC=CC=C1	REAL300007283146	1	47	0.0	-55.35	350.96	9.93	-45.42
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C[C@H]2C1	REAL300007283150	0	52	0.0	-69.92	391.35	8.07	-61.85
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C[C@H]2C1	REAL300007283150	1	52	0.0	-71.37	387.54	8.09	-63.28
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007283156	1	48	0.0	-64.64	368.96	9.89	-54.75
C[NH+](C)CC1=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)OC2=CC=CC=C21	REAL300007283157	0	50	0.0	-65.21	375.67	10.46	-54.75
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@@H+]3C3CCCC3)C[C@H]2C1	REAL300007283162	0	51	0.0	-65.60	354.56	10.24	-55.36
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCC[N@H+]3C3CCCC3)C[C@H]2C1	REAL300007283162	1	51	0.0	-65.33	354.65	10.13	-55.20
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C(C3=CC=CC=C3)[NH+]3CCSCC3)C[C@H]2C1	REAL300007283190	1	52	0.0	-66.36	390.76	11.44	-54.92
CC(C)C(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)[NH+]1CC(C)OC(C)C1	REAL300007283191	1	57	0.0	-65.02	391.25	9.00	-56.02
CC(C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)[NH+]1CCCCCC1	REAL300007283192	0	50	0.0	-64.06	347.68	8.90	-55.16
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)=CC=C1N2	REAL300007283228	1	52	0.0	-79.40	389.61	10.11	-69.29
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)=CC=C1N2	REAL300007283228	1	52	0.0	-79.61	389.59	10.12	-69.49
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)O1	REAL300007283286	0	50	0.0	-72.76	377.15	9.82	-62.94
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1	REAL300007283287	0	50	0.0	-73.21	369.62	9.86	-63.35
CC1=CC=C(N2CCC(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)CC2)[NH+]=C1	REAL300007283289	1	53	0.0	-69.26	393.62	9.55	-59.71
C[N@H+](CC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)CC1=CC=CC=C1	REAL300007283290	1	47	0.0	-73.38	355.99	10.17	-63.21
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1)CC1=CC=CC=C1	REAL300007283290	1	47	0.0	-73.20	357.16	10.19	-63.01
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)C=C2)CC1	REAL300007283294	0	59	0.0	-75.64	417.60	9.79	-65.85
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C[C@H]2C1	REAL300007283308	1	42	0.0	-76.96	333.93	7.66	-69.30
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=NO1	REAL300007283337	1	43	0.0	-81.67	337.28	7.94	-73.73
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007283343	0	54	0.0	-72.97	401.25	11.46	-61.51
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007283343	1	54	0.0	-73.52	399.33	11.71	-61.81
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=C1	REAL300007283367	0	55	0.0	-78.36	420.79	11.04	-67.32
C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC1	REAL300007283384	0	48	0.0	-76.99	360.41	8.76	-68.23
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C[C@H]2C1	REAL300007283390	0	51	0.0	-74.54	381.33	10.22	-64.32
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)[C@@H](C(F)(F)F)C1	REAL300007283431	0	53	0.0	-69.95	390.71	9.60	-60.35
CC(C)(C)[N@H+]1C[C@H](C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)[C@@H](C(F)(F)F)C1	REAL300007283431	1	53	0.0	-65.25	388.90	9.62	-55.63
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C1	REAL300007283575	0	50	0.0	-73.23	364.70	9.57	-63.66
CCC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C1	REAL300007283575	1	50	0.0	-63.54	352.68	9.49	-54.05
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007283607	0	50	0.0	-64.23	356.90	9.19	-55.04
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007283607	1	50	0.0	-67.83	351.18	9.85	-57.98
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C[NH+]3CCC(CO)CC3)C[C@H]2C1	REAL300007283610	0	48	0.0	-72.10	352.72	5.74	-66.36
O=C([O-])[C@H]1C[C@H]2CN(C(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)C[C@H]2C1	REAL300007283704	0	55	0.0	-77.14	403.40	11.85	-65.29
O=C([O-])[C@H]1C[C@H]2CN(C(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)C[C@H]2C1	REAL300007283704	1	55	0.0	-81.08	406.38	11.84	-69.24
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC(F)=C3)C[C@H]2C1	REAL300007283742	1	54	0.0	-66.06	394.89	11.48	-54.58
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3CCCC[N@H+]3CC3=CC=CC(F)=C3)C[C@H]2C1	REAL300007283742	1	54	0.0	-67.40	403.07	11.76	-55.64
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C1	REAL300007283831	0	50	0.0	-70.50	358.00	9.28	-61.22
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C1	REAL300007283831	1	50	0.0	-63.57	348.01	9.09	-54.48
C[N@@H+]1CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C(C(F)(F)F)C1	REAL300007283832	0	44	0.0	-75.91	341.46	8.19	-67.72
C[N@H+]1CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C(C(F)(F)F)C1	REAL300007283832	1	44	0.0	-84.08	335.81	7.93	-76.15
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)N1	REAL300007283858	1	45	0.0	-62.67	351.72	7.93	-54.74
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=C1	REAL300007284332	0	50	0.0	-76.88	378.86	10.57	-66.31
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=C1	REAL300007284338	0	51	0.0	-76.47	383.32	9.44	-67.03
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)C[C@H]2C1	REAL300007284428	0	57	0.0	-74.79	419.03	12.55	-62.24
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)C=C2)CCO1	REAL300007284430	1	55	0.0	-88.09	403.09	9.91	-78.18
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)C=C2)CCO1	REAL300007284430	1	55	0.0	-80.63	400.94	9.83	-70.80
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)CC1	REAL300007284473	0	50	0.0	-64.40	348.04	8.98	-55.42
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C1	REAL300007284539	0	53	0.0	-67.34	378.68	10.13	-57.21
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C1	REAL300007284539	1	53	0.0	-67.34	378.68	10.13	-57.21
CN(C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)O1	REAL300007284544	0	44	0.0	-75.58	340.29	8.37	-67.21
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)O1	REAL300007284544	1	44	0.0	-75.58	340.29	8.37	-67.21
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C1	REAL300007284549	0	53	0.0	-75.76	363.04	9.11	-66.65
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C1	REAL300007284549	1	53	0.0	-75.76	363.04	9.11	-66.65
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C[C@H]2C1	REAL300007284552	0	46	0.0	-64.67	331.54	9.68	-54.99
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300007285824	0	57	0.0	-76.98	412.92	12.01	-64.97
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300007286542	0	54	0.0	-69.11	393.70	12.30	-56.81
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300007286542	1	54	0.0	-65.35	390.09	11.89	-53.46
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300007287404	1	54	0.0	-71.95	408.87	12.78	-59.17
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300007287404	1	54	0.0	-63.79	407.90	11.54	-52.25
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300007287489	0	51	0.0	-62.16	361.97	9.67	-52.49
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300007287519	0	48	0.0	-60.21	349.68	9.46	-50.75
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300007287519	1	48	0.0	-66.16	344.93	8.91	-57.25
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)CN12	REAL300007287525	1	49	0.0	-60.07	363.37	9.54	-50.53
O=C([O-])C1(C2CCC2)CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300007287526	0	57	0.0	-67.53	406.36	11.39	-56.14
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)CC2)=CS1	REAL300007287604	1	56	0.0	-75.83	420.27	9.77	-66.06
CC(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)N1CC[NH+](C)CC1	REAL300007287605	1	52	0.0	-67.79	361.38	6.45	-61.34
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=C1	REAL300007287692	0	60	0.0	-73.77	448.93	11.91	-61.86
CC1(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007287705	0	60	0.0	-66.87	419.98	12.21	-54.66
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300007287763	0	42	0.0	-67.23	321.84	10.18	-57.05
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CCCCC1	REAL300007287796	0	56	0.0	-60.14	372.19	10.19	-49.95
C[N@H+](CCC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)C1CCCCC1	REAL300007287801	0	56	0.0	-67.81	393.28	10.76	-57.05
C[N@@H+](CCC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)C1CCCCC1	REAL300007287801	1	56	0.0	-66.22	395.86	10.71	-55.51
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300007287822	1	57	0.0	-74.12	410.60	12.05	-62.07
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300007287822	1	57	0.0	-56.25	419.81	12.28	-43.97
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300007287823	1	54	0.0	-72.80	398.55	12.33	-60.47
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300007287823	1	54	0.0	-64.67	397.58	11.09	-53.58
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300007287880	0	50	0.0	-68.14	381.44	9.30	-58.84
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300007287905	0	57	0.0	-67.21	387.16	10.76	-56.45
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300007287905	1	57	0.0	-63.58	387.95	10.82	-52.76
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300007287906	0	58	0.0	-73.66	397.40	8.93	-64.73
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007287937	1	48	0.0	-71.26	364.87	10.79	-60.47
O=C([O-])C1(C2CCC2)CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300007287938	1	54	0.0	-72.95	393.14	8.76	-64.19
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=C1)C(C)C	REAL300007287940	0	59	0.0	-68.54	417.98	11.79	-56.75
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=C1)C(C)C	REAL300007287940	1	59	0.0	-75.80	410.06	11.47	-64.33
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007287965	0	54	0.0	-66.93	395.90	11.27	-55.66
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007287965	1	54	0.0	-65.20	398.06	11.41	-53.79
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300007287966	0	55	0.0	-84.26	391.76	10.42	-73.84
C[NH+]1CCN(C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C2=CC=CC=C2)CC1	REAL300007287994	1	59	0.0	-68.78	421.00	9.25	-59.53
O=C([O-])C1(C2CCC2)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300007287995	0	58	0.0	-68.26	387.70	8.64	-59.62
CCC(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[NH+](CC)CC	REAL300007287999	0	52	0.0	-64.94	355.60	10.01	-54.93
CC(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300007288001	0	53	0.0	-63.13	389.57	10.98	-52.15
CC(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007288001	1	53	0.0	-69.72	389.39	10.92	-58.80
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300007288012	0	60	0.0	-61.00	427.85	12.92	-48.08
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300007288012	1	60	0.0	-70.01	426.16	12.93	-57.08
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=N1	REAL300007288038	0	49	0.0	-81.50	363.51	8.57	-72.93
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288048	0	58	0.0	-68.85	417.43	11.38	-57.47
O=C([O-])C1(C2CCC2)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300007288049	1	58	0.0	-64.77	416.64	8.36	-56.41
CC[N@H+](C)C(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)C1=CC=CC=C1	REAL300007288050	0	53	0.0	-56.04	386.96	11.04	-45.00
CC[N@@H+](C)C(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)C1=CC=CC=C1	REAL300007288050	1	53	0.0	-66.36	385.56	10.91	-55.45
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)C1=CC=CC=C1	REAL300007288055	0	56	0.0	-61.54	392.54	11.80	-49.74
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288062	1	48	0.0	-59.71	360.52	9.86	-49.85
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)C1=CC=C(Cl)C=C1	REAL300007288066	1	50	0.0	-54.93	381.95	10.78	-44.15
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300007288079	0	54	0.0	-71.72	394.70	11.32	-60.40
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300007288086	0	57	0.0	-73.36	412.12	12.03	-61.33
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)CC2)CC1	REAL300007288092	0	65	0.0	-75.39	443.01	9.53	-65.86
O=C([O-])C1(C2CCC2)CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007288112	1	58	0.0	-83.48	425.46	11.90	-71.58
O=C([O-])C1(C2CCC2)CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007288112	1	58	0.0	-77.25	422.39	11.48	-65.77
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300007288127	0	57	0.0	-62.39	412.50	12.26	-50.13
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300007288127	1	57	0.0	-54.45	413.38	12.21	-42.24
CC1=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300007288129	1	48	0.0	-77.82	365.92	8.44	-69.38
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300007288137	0	57	0.0	-72.06	411.44	12.03	-60.03
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300007288150	1	50	0.0	-77.84	376.57	9.34	-68.50
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=C1	REAL300007288151	0	53	0.0	-74.85	392.38	11.01	-63.84
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288163	1	46	0.0	-65.33	342.04	7.55	-57.78
O=C([O-])C1(C2CCC2)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007288164	1	55	0.0	-78.42	402.85	11.70	-66.72
O=C([O-])C1(C2CCC2)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007288164	1	55	0.0	-58.30	403.08	11.70	-46.60
CC(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007288176	0	63	0.0	-63.39	444.92	13.18	-50.21
CC(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[NH+]1CCSCC1	REAL300007288222	1	48	0.0	-63.14	352.45	9.08	-54.06
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)CC(C)(C)C	REAL300007288228	0	52	0.0	-61.11	364.30	9.50	-51.61
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)CC(C)(C)C	REAL300007288228	1	52	0.0	-65.16	366.41	9.61	-55.55
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288230	0	53	0.0	-68.35	395.11	11.46	-56.89
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288230	1	53	0.0	-64.35	395.50	11.53	-52.82
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288231	0	57	0.0	-65.51	425.55	7.71	-57.80
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288231	1	57	0.0	-68.79	425.63	7.74	-61.05
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007288235	0	51	0.0	-72.57	363.46	7.59	-64.98
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007288235	1	51	0.0	-68.72	352.52	7.27	-61.45
O=C([O-])C1(C2CCC2)CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300007288252	0	62	0.0	-72.81	451.75	11.26	-61.55
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300007288253	1	56	0.0	-67.84	408.03	10.40	-57.44
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300007288253	1	56	0.0	-67.14	396.01	10.05	-57.09
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300007288254	1	56	0.0	-74.24	396.86	9.93	-64.31
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300007288254	1	56	0.0	-73.65	405.65	11.17	-62.48
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288256	0	55	0.0	-62.42	400.09	10.85	-51.57
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288256	1	55	0.0	-59.63	402.50	10.98	-48.65
O=C([O-])C1(C2CCC2)CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300007288266	0	48	0.0	-60.13	333.46	8.54	-51.59
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300007288274	1	42	0.0	-69.43	322.12	10.19	-59.24
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)C1CCSC1	REAL300007288291	0	48	0.0	-67.39	354.22	9.38	-58.01
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)C1CCSC1	REAL300007288291	1	48	0.0	-67.45	354.20	9.36	-58.09
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007288306	0	58	0.0	-73.65	411.71	8.29	-65.36
CC(C)N1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007288306	1	58	0.0	-65.44	409.29	8.08	-57.36
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007288307	0	61	0.0	-67.13	431.73	9.15	-57.98
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007288307	1	61	0.0	-69.10	431.11	8.94	-60.16
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300007288308	0	51	0.0	-71.54	348.66	9.36	-62.18
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300007288308	1	51	0.0	-58.93	347.44	9.67	-49.26
C[NH+](C)CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=N1	REAL300007288310	0	50	0.0	-74.97	374.95	8.22	-66.75
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)CC2)=C1	REAL300007288318	0	62	0.0	-69.18	451.65	11.13	-58.05
O=C([O-])C1(C2CCC2)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300007288320	0	59	0.0	-69.49	430.25	10.44	-59.05
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300007288323	0	56	0.0	-66.78	402.57	10.39	-56.39
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300007288323	1	56	0.0	-53.58	404.26	10.32	-43.26
CC(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007288328	0	54	0.0	-57.90	388.69	12.18	-45.72
CC(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007288328	1	54	0.0	-61.09	393.11	11.47	-49.62
CCC(CC)C(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[NH+]1CCOCC1	REAL300007288345	1	60	0.0	-63.16	398.74	9.11	-54.05
O=C([O-])C1(C2CCC2)CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007288352	0	57	0.0	-73.08	422.42	12.32	-60.76
O=C([O-])C1(C2CCC2)CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007288352	1	57	0.0	-80.38	419.25	13.12	-67.26
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=N1	REAL300007288368	0	50	0.0	-87.61	374.84	9.12	-78.49
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288369	0	50	0.0	-64.41	366.62	8.08	-56.33
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288375	1	51	0.0	-61.42	383.40	10.32	-51.10
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC[N@@H+]1C	REAL300007288378	0	50	0.0	-76.37	350.03	8.63	-67.74
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC[N@H+]1C	REAL300007288378	1	50	0.0	-65.14	356.06	8.90	-56.24
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=NN1	REAL300007288381	1	51	0.0	-80.86	380.08	8.49	-72.37
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=NN1	REAL300007288381	1	51	0.0	-76.35	368.88	8.49	-67.86
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288382	0	46	0.0	-65.68	340.94	8.78	-56.90
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288382	1	46	0.0	-67.87	340.58	8.99	-58.88
CC1C[N@H+](C)CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)O1	REAL300007288390	1	48	0.0	-78.40	343.74	7.66	-70.74
CC1C[N@@H+](C)CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)O1	REAL300007288390	1	48	0.0	-77.67	350.97	8.08	-69.59
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300007288396	0	57	0.0	-67.13	414.00	12.22	-54.91
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300007288396	1	57	0.0	-63.20	423.93	12.20	-51.00
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300007288397	1	53	0.0	-57.97	393.21	10.06	-47.91
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300007288397	1	53	0.0	-61.20	394.18	9.63	-51.57
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288402	0	51	0.0	-62.82	366.45	7.56	-55.26
O=C([O-])C1(C2CCC2)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300007288403	0	58	0.0	-72.16	425.43	9.93	-62.23
CC1CC[NH+](CC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007288413	0	50	0.0	-59.87	360.00	9.54	-50.33
CC[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007288428	1	48	0.0	-76.44	347.22	8.04	-68.40
CC[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007288428	1	48	0.0	-51.66	338.33	7.69	-43.97
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300007288468	0	57	0.0	-73.30	399.81	10.90	-62.40
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300007288468	1	57	0.0	-73.87	395.26	11.62	-62.25
C[N@@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288475	0	50	0.0	-65.55	361.03	9.46	-56.09
C[N@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288475	1	50	0.0	-71.18	358.54	9.33	-61.85
O=C([O-])C1(C2CCC2)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300007288488	0	51	0.0	-74.14	344.02	8.78	-65.36
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288492	0	48	0.0	-72.46	331.77	5.55	-66.91
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288492	1	48	0.0	-64.13	334.68	4.33	-59.80
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300007288493	0	51	0.0	-57.36	361.54	9.85	-47.51
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300007288493	1	51	0.0	-56.83	357.80	9.67	-47.16
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288501	0	54	0.0	-67.37	369.49	7.81	-59.56
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=N1	REAL300007288506	0	57	0.0	-81.58	405.07	10.25	-71.33
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=N1	REAL300007288506	1	57	0.0	-73.58	414.45	9.50	-64.08
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)=C2)CC1	REAL300007288511	0	59	0.0	-75.03	429.18	9.61	-65.42
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)C=C2)CC1	REAL300007288512	0	59	0.0	-78.40	429.28	9.63	-68.77
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)C=C2)CC1	REAL300007288512	1	59	0.0	-72.77	427.97	9.47	-63.30
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=C1	REAL300007288513	0	60	0.0	-68.96	430.88	11.01	-57.95
CC(C)[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007288521	0	53	0.0	-73.55	371.04	9.68	-63.87
O=C([O-])C1(C2CCC2)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300007288608	0	48	0.0	-71.71	330.30	7.96	-63.75
O=C([O-])C1(C2CCC2)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300007288608	1	48	0.0	-76.94	324.34	8.65	-68.29
CC1CCC(C)[NH+]1CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288661	0	50	0.0	-58.94	351.27	9.00	-49.94
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=C1	REAL300007288662	0	50	0.0	-74.71	370.52	10.19	-64.52
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007288663	0	57	0.0	-71.15	410.43	12.34	-58.81
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007288663	1	57	0.0	-57.11	405.77	11.93	-45.18
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007288733	0	49	0.0	-75.94	361.39	9.64	-66.30
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288735	0	53	0.0	-60.28	374.33	10.04	-50.24
CCC[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288735	1	53	0.0	-60.40	374.57	9.87	-50.53
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288736	0	50	0.0	-60.16	366.36	10.12	-50.04
CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007288738	0	55	0.0	-75.36	394.47	7.74	-67.62
CCN1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007288738	1	55	0.0	-65.15	396.05	7.78	-57.37
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[NH+]1CCCCC1	REAL300007288740	0	56	0.0	-56.67	382.06	10.80	-45.87
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)C1=CC=CC=C1	REAL300007288741	1	50	0.0	-56.96	367.04	10.40	-46.56
O=C([O-])C1(C2CCC2)CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007288745	0	55	0.0	-70.93	407.43	8.57	-62.36
O=C([O-])C1(C2CCC2)CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007288745	1	55	0.0	-71.10	403.81	9.30	-61.80
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288751	1	51	0.0	-60.40	382.85	10.27	-50.13
C[NH+](C)CC1=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)OC2=CC=CC=C21	REAL300007288752	0	53	0.0	-61.77	395.41	11.29	-50.48
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300007288758	0	54	0.0	-63.11	375.49	10.54	-52.57
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300007288758	1	54	0.0	-62.91	369.53	10.44	-52.47
O=C([O-])C1(C2CCC2)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300007288787	1	55	0.0	-58.84	405.52	11.95	-46.89
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[NH+]1CC(C)OC(C)C1	REAL300007288788	1	60	0.0	-55.02	416.74	9.83	-45.19
CC(C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)[NH+]1CCCCCC1	REAL300007288789	0	53	0.0	-59.00	365.01	9.41	-49.59
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)=CC=C1N2	REAL300007288827	1	55	0.0	-86.37	404.85	10.50	-75.87
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)=CC=C1N2	REAL300007288827	1	55	0.0	-85.29	404.86	10.48	-74.81
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)O1	REAL300007288883	0	53	0.0	-72.83	391.91	10.21	-62.62
O=C([O-])C1(C2CCC2)CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300007288884	0	53	0.0	-70.63	388.77	10.43	-60.20
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)CC2)[NH+]=C1	REAL300007288886	1	56	0.0	-68.22	408.95	10.11	-58.11
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)CC1=CC=CC=C1	REAL300007288887	1	50	0.0	-61.05	375.44	10.82	-50.23
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C2CCC2)C1)CC1=CC=CC=C1	REAL300007288887	1	50	0.0	-63.99	373.07	10.69	-53.30
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)C=C2)CC1	REAL300007288891	0	62	0.0	-84.40	438.57	10.65	-73.75
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300007288910	1	45	0.0	-74.02	350.01	8.17	-65.85
C[NH+](C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=NO1	REAL300007288942	1	46	0.0	-79.93	351.78	8.36	-71.57
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288946	0	57	0.0	-74.01	416.60	12.03	-61.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288946	1	57	0.0	-70.00	414.96	12.02	-57.98
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288965	0	50	0.0	-64.73	353.47	9.09	-55.64
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007288965	1	50	0.0	-68.70	343.38	9.24	-59.46
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=C1	REAL300007288972	0	58	0.0	-79.25	440.29	11.66	-67.59
C[NH+]1CCC(OCC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007288993	0	51	0.0	-77.81	375.82	9.26	-68.55
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300007288998	0	54	0.0	-74.29	397.04	10.59	-63.70
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)[C@@H](C(F)(F)F)C1	REAL300007289043	0	56	0.0	-61.17	405.09	9.94	-51.23
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)[C@@H](C(F)(F)F)C1	REAL300007289043	1	56	0.0	-51.85	405.85	10.08	-41.77
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007289195	0	53	0.0	-70.42	377.18	10.32	-60.10
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007289195	1	53	0.0	-58.78	367.95	9.87	-48.91
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007289228	0	53	0.0	-62.62	364.32	10.11	-52.51
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007289228	1	53	0.0	-56.05	375.00	9.64	-46.41
O=C([O-])C1(C2CCC2)CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300007289229	0	51	0.0	-60.64	370.84	6.22	-54.42
O=C([O-])C1(C2CCC2)CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300007289331	0	58	0.0	-83.72	419.96	12.32	-71.40
O=C([O-])C1(C2CCC2)CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300007289331	1	58	0.0	-85.25	421.67	12.24	-73.01
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300007289372	1	57	0.0	-72.85	404.98	12.57	-60.28
O=C([O-])C1(C2CCC2)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300007289372	1	57	0.0	-58.21	417.57	12.06	-46.15
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007289469	0	53	0.0	-71.43	371.91	10.52	-60.91
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007289469	1	53	0.0	-74.48	374.70	9.79	-64.69
C[N@@H+]1CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C(C(F)(F)F)C1	REAL300007289470	0	47	0.0	-67.50	350.05	8.34	-59.16
C[N@H+]1CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C(C(F)(F)F)C1	REAL300007289470	1	47	0.0	-75.20	348.32	8.44	-66.76
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)N1	REAL300007289494	1	48	0.0	-60.83	368.62	8.45	-52.38
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=C1	REAL300007289999	0	53	0.0	-76.11	393.05	11.03	-65.08
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=C1	REAL300007290007	0	54	0.0	-70.89	399.61	9.95	-60.94
O=C([O-])C1(C2CCC2)CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300007290108	0	60	0.0	-67.05	437.21	13.04	-54.01
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)C=C2)CCO1	REAL300007290110	1	58	0.0	-75.84	417.61	10.30	-65.54
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)C=C2)CCO1	REAL300007290110	1	58	0.0	-88.90	414.99	10.64	-78.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)CC1	REAL300007290157	0	53	0.0	-73.78	359.25	9.30	-64.48
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007290225	0	56	0.0	-77.89	382.03	10.34	-67.55
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007290225	1	56	0.0	-77.89	382.03	10.34	-67.55
CC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007290226	0	50	0.0	-64.73	348.43	9.25	-55.48
CC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007290226	1	50	0.0	-64.73	348.43	9.25	-55.48
CN(C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)O1	REAL300007290232	0	47	0.0	-76.34	355.44	8.71	-67.63
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)O1	REAL300007290232	1	47	0.0	-76.34	355.44	8.71	-67.63
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007290238	0	56	0.0	-72.31	379.05	9.78	-62.53
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C1	REAL300007290238	1	56	0.0	-72.31	379.05	9.78	-62.53
O=C([O-])C1(C2CCC2)CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300007290241	0	49	0.0	-68.85	353.14	9.41	-59.44
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCC2(C1)CCCCC2	REAL300007290313	0	53	0.0	-47.18	370.71	9.20	-37.98
COC1=CC=C2CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCC2=C1	REAL300007290436	0	54	0.0	-51.95	401.93	9.03	-42.92
C[C@H](O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300007290526	0	44	0.0	-51.91	341.59	5.58	-46.33
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OCCO)=C2)C1	REAL300007290622	0	45	0.0	-51.82	347.20	4.45	-47.37
O=C([O-])C1CCCN(CC(=O)NC2=CN=C3OCCC3=C2)C1	REAL300007290824	0	41	0.0	-53.90	315.36	4.11	-49.79
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN=C3OCCC3=C2)C1	REAL300007290824	1	41	0.0	-53.61	314.73	3.66	-49.95
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN=C3OCCC3=C2)C1	REAL300007290824	1	41	0.0	-53.61	314.73	3.66	-49.95
CCC1=NC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=NO1	REAL300007290933	0	48	0.0	-59.49	378.54	7.40	-52.09
CC(C)(C)C1=CC=C(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300007291055	0	58	0.0	-45.96	413.00	11.01	-34.95
CC(C)(C)C1=CC=C(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300007291055	1	58	0.0	-46.78	413.09	11.04	-35.74
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C=CC(F)(F)F)=C2)C1	REAL300007291174	0	44	0.0	-52.30	355.25	9.62	-42.68
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C=CC(F)(F)F)=C2)C1	REAL300007291174	1	44	0.0	-51.73	360.71	9.59	-42.14
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(N3C=NC=N3)CC2)C1	REAL300007291270	0	43	0.0	-52.76	344.13	7.94	-44.82
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(N3C=NC=N3)CC2)C1	REAL300007291270	1	43	0.0	-47.48	338.65	7.95	-39.53
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(C2)CCCCO3)C1	REAL300007291344	0	48	0.0	-43.72	342.53	6.99	-36.73
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(C2)CCCCO3)C1	REAL300007291344	1	48	0.0	-46.73	348.69	7.41	-39.32
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C[C@@H]21	REAL300007292693	0	52	0.0	-80.81	386.68	9.14	-71.67
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C[C@@H]21	REAL300007293449	0	49	0.0	-64.06	363.08	8.14	-55.92
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C[C@@H]21	REAL300007293449	1	49	0.0	-72.01	365.31	8.49	-63.52
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@@H+]3CC3=CC=C(Cl)C=C3)C[C@@H]21	REAL300007294306	1	49	0.0	-70.96	380.64	8.70	-62.26
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@H+]3CC3=CC=C(Cl)C=C3)C[C@@H]21	REAL300007294306	1	49	0.0	-69.54	382.44	9.06	-60.48
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@@H]21	REAL300007294383	0	46	0.0	-74.61	339.79	7.03	-67.58
CC1=[NH+]C=C2CCC(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)CN12	REAL300007294413	1	44	0.0	-73.49	337.40	6.75	-66.74
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C[C@@H]21	REAL300007294414	0	52	0.0	-60.75	388.63	9.22	-51.53
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)CC2)=CS1	REAL300007294488	1	51	0.0	-54.24	393.71	7.24	-47.00
CC(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)N1CC[NH+](C)CC1	REAL300007294489	1	47	0.0	-78.08	344.18	4.02	-74.06
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300007294575	0	55	0.0	-84.64	421.23	8.91	-75.73
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300007294587	0	55	0.0	-86.27	418.99	10.80	-75.47
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300007294587	1	55	0.0	-86.63	418.99	10.81	-75.82
CC1(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007294589	0	55	0.0	-75.80	391.02	9.15	-66.65
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C[C@@H]21	REAL300007294648	0	37	0.0	-56.79	292.27	7.19	-49.60
C[NH+](C)CC1(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CCCCC1	REAL300007294678	0	51	0.0	-71.26	342.59	6.74	-64.52
C[N@H+](CCC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)C1CCCCC1	REAL300007294682	0	51	0.0	-74.53	367.80	7.85	-66.68
C[N@@H+](CCC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)C1CCCCC1	REAL300007294682	1	51	0.0	-76.39	365.58	7.76	-68.63
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=C(F)C=C3)C[C@@H]21	REAL300007294705	1	52	0.0	-69.03	377.68	8.76	-60.27
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@H+]3CC3=CC=C(F)C=C3)C[C@@H]21	REAL300007294705	1	52	0.0	-73.28	389.84	9.24	-64.04
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)C[C@@H]21	REAL300007294706	1	49	0.0	-71.74	370.31	8.24	-63.50
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)C[C@@H]21	REAL300007294706	1	49	0.0	-70.41	372.12	8.61	-61.80
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C[C@@H]21	REAL300007294762	0	45	0.0	-58.80	351.00	6.28	-52.52
C[NH+](C)CCN1N=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=C1C1=CC=CC=C1	REAL300007294767	0	55	0.0	-85.85	423.76	8.55	-77.30
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C[C@@H]21	REAL300007294791	0	52	0.0	-65.09	357.94	7.82	-57.27
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@H+]3C3CCCC3)C[C@@H]21	REAL300007294791	1	52	0.0	-66.95	356.12	7.69	-59.26
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C[C@@H]21	REAL300007294792	0	53	0.0	-52.04	362.70	5.68	-46.36
CC1=[NH+]C=CN1CCCC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007294824	1	43	0.0	-74.56	338.17	7.06	-67.50
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]21	REAL300007294825	1	49	0.0	-82.78	365.43	5.74	-77.04
CC[N@H+](CC1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=C1)C(C)C	REAL300007294827	0	54	0.0	-88.96	382.52	8.63	-80.33
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=C1)C(C)C	REAL300007294827	1	54	0.0	-59.94	379.95	8.38	-51.56
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300007294851	0	49	0.0	-77.03	369.45	8.46	-68.57
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300007294851	1	49	0.0	-75.56	369.19	8.49	-67.07
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CC[NH+](C4CCSC4)CC3)C[C@@H]21	REAL300007294852	0	50	0.0	-84.87	371.30	7.92	-76.95
C[NH+]1CCN(C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C2=CC=CC=C2)CC1	REAL300007294880	1	54	0.0	-73.52	393.29	6.44	-67.08
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@@H]21	REAL300007294881	0	53	0.0	-72.58	363.05	5.96	-66.62
CC(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)[N@H+](C)CC1=CC=CC=C1	REAL300007294886	0	48	0.0	-69.18	361.44	8.05	-61.13
CC(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007294886	1	48	0.0	-71.00	361.38	8.06	-62.94
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)C[C@@H]21	REAL300007294897	0	55	0.0	-78.71	411.90	10.10	-68.61
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)C[C@@H]21	REAL300007294897	1	55	0.0	-79.16	406.56	9.89	-69.27
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=N1	REAL300007294925	0	44	0.0	-87.51	336.37	5.70	-81.81
CCC[NH+](CCC)CCCC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007294936	0	53	0.0	-77.43	389.46	8.39	-69.04
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)C[C@@H]21	REAL300007294937	1	53	0.0	-69.53	389.44	5.84	-63.69
CC[N@H+](C)C(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=CC=C1	REAL300007294938	0	48	0.0	-59.54	354.54	7.95	-51.59
CC[N@@H+](C)C(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=CC=C1	REAL300007294938	1	48	0.0	-63.62	354.69	8.00	-55.62
CC[NH+](CC)C(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=CC=C1	REAL300007294943	0	51	0.0	-69.56	367.46	8.29	-61.27
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007294949	1	43	0.0	-63.46	335.66	6.87	-56.59
C[NH+](C)C(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=C(Cl)C=C1	REAL300007294951	1	45	0.0	-71.31	353.10	7.86	-63.45
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C[C@@H]21	REAL300007294965	0	49	0.0	-83.16	367.05	8.35	-74.81
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C[C@@H]21	REAL300007294972	0	52	0.0	-63.77	381.95	9.01	-54.76
CCN1CCC([NH+]2CCC(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)CC2)CC1	REAL300007294979	0	60	0.0	-77.51	420.76	6.91	-70.60
CC1C[NH+](CC2=CC=C(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CC(C)O1	REAL300007294986	1	56	0.0	-61.66	414.94	8.03	-53.63
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)C[C@@H]21	REAL300007294997	1	53	0.0	-87.67	401.68	8.68	-78.99
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)C[C@@H]21	REAL300007294997	1	53	0.0	-89.52	394.76	8.66	-80.86
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C[C@@H]21	REAL300007295013	0	52	0.0	-71.50	376.15	8.96	-62.54
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C[C@@H]21	REAL300007295013	1	52	0.0	-66.76	386.02	9.28	-57.48
CC1=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=NN1C1=CC=[NH+]C=C1	REAL300007295015	1	43	0.0	-72.20	336.31	5.61	-66.59
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C[C@@H]21	REAL300007295023	0	52	0.0	-60.29	381.61	9.01	-51.28
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C[C@@H]21	REAL300007295035	1	45	0.0	-77.88	347.62	6.39	-71.49
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300007295036	0	48	0.0	-66.60	362.55	7.99	-58.61
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295047	1	41	0.0	-66.87	317.51	4.70	-62.17
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)C[C@@H]21	REAL300007295048	1	50	0.0	-80.92	370.67	7.85	-73.07
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)C[C@@H]21	REAL300007295048	1	50	0.0	-88.10	378.19	8.04	-80.06
CC(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007295062	0	58	0.0	-70.98	425.77	10.59	-60.39
CC(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)[NH+]1CCSCC1	REAL300007295102	1	43	0.0	-69.68	323.53	6.01	-63.67
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295109	0	48	0.0	-73.42	367.83	8.60	-64.82
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295109	1	48	0.0	-73.41	367.84	8.60	-64.81
COCCOCC[N@H+](C)CCC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295110	0	52	0.0	-74.31	397.33	4.82	-69.49
COCCOCC[N@@H+](C)CCC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295110	1	52	0.0	-74.90	397.57	4.88	-70.02
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300007295114	0	46	0.0	-67.43	327.44	4.32	-63.11
C[N@H+]1CCCC(O)(CC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300007295114	1	46	0.0	-66.81	337.14	4.52	-62.29
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CCC[NH+]3CCN(C4=CC=CC=C4)CC3)C[C@@H]21	REAL300007295124	0	57	0.0	-82.54	421.45	8.30	-74.24
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)C[C@@H]21	REAL300007295125	1	51	0.0	-73.91	372.99	7.26	-66.65
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)C[C@@H]21	REAL300007295125	1	51	0.0	-72.84	379.33	7.47	-65.37
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)C[C@@H]21	REAL300007295126	1	51	0.0	-71.32	379.47	7.44	-63.88
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)C[C@@H]21	REAL300007295126	1	51	0.0	-74.53	379.37	7.45	-67.08
CCCCCC[N@H+](C)CC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295128	0	50	0.0	-71.59	372.43	7.92	-63.67
CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295128	1	50	0.0	-71.60	372.43	7.92	-63.68
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C[C@@H]21	REAL300007295140	1	37	0.0	-55.57	292.57	7.21	-48.36
C[N@H+](CC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)C1CCSC1	REAL300007295158	0	43	0.0	-73.37	327.87	6.32	-67.05
C[N@@H+](CC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)C1CCSC1	REAL300007295158	1	43	0.0	-76.22	327.91	6.41	-69.81
CC(C)[NH+]1CCN(CCC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300007295173	0	53	0.0	-78.58	378.79	5.10	-73.48
CC(C)N1CC[NH+](CCC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300007295173	1	53	0.0	-75.69	379.34	5.16	-70.53
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300007295174	0	56	0.0	-76.20	405.55	6.17	-70.03
CC(C)N1CC[NH+](CCCC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300007295174	1	56	0.0	-78.15	400.84	5.97	-72.18
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC4CCC[N@@H+]43)C[C@@H]21	REAL300007295175	0	46	0.0	-68.06	320.59	6.27	-61.79
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC4CCC[N@H+]43)C[C@@H]21	REAL300007295175	1	46	0.0	-64.98	334.14	6.85	-58.13
C[NH+](C)CCN1C=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=N1	REAL300007295177	0	45	0.0	-85.10	346.62	5.23	-79.87
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)CC2)=C1	REAL300007295184	0	57	0.0	-79.66	422.87	8.20	-71.46
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)C[C@@H]21	REAL300007295186	0	54	0.0	-79.71	401.46	7.53	-72.18
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C[C@@H]21	REAL300007295189	0	51	0.0	-80.19	384.23	7.38	-72.81
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C[C@@H]21	REAL300007295189	1	51	0.0	-77.23	383.59	7.37	-69.86
CC(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007295194	1	49	0.0	-67.01	362.34	8.36	-58.65
CC(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007295194	1	49	0.0	-43.08	362.71	8.41	-34.67
CCC(CC)C(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)[NH+]1CCOCC1	REAL300007295213	1	55	0.0	-61.75	374.76	6.41	-55.34
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300007295222	0	52	0.0	-81.40	391.44	9.34	-72.06
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300007295222	1	52	0.0	-82.78	392.76	9.33	-73.45
C[NH+](C)CCN1C=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=N1	REAL300007295237	0	45	0.0	-89.25	350.91	5.87	-83.38
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295238	0	45	0.0	-63.22	341.93	5.28	-57.94
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295244	1	46	0.0	-69.38	354.65	7.40	-61.98
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=NN1	REAL300007295248	1	46	0.0	-80.06	343.55	4.91	-75.15
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=NN1	REAL300007295248	1	46	0.0	-81.43	342.82	4.86	-76.57
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)C[C@@H]21	REAL300007295260	0	52	0.0	-76.50	384.12	9.27	-67.23
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)C[C@@H]21	REAL300007295260	1	52	0.0	-82.52	385.75	9.23	-73.29
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C[C@@H]21	REAL300007295261	1	48	0.0	-64.22	365.60	7.03	-57.19
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C[C@@H]21	REAL300007295261	1	48	0.0	-75.66	360.99	6.68	-68.98
CC(C[NH+]1CCOCC1)C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295265	0	46	0.0	-78.54	338.61	4.68	-73.86
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)C[C@@H]21	REAL300007295266	0	53	0.0	-79.38	399.22	6.95	-72.43
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21	REAL300007295321	0	52	0.0	-73.02	368.58	7.90	-65.12
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C[C@@H]21	REAL300007295321	1	52	0.0	-74.70	370.82	7.93	-66.77
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21	REAL300007295340	0	46	0.0	-77.00	314.96	5.76	-71.24
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC4CCCC[N@@H+]43)C[C@@H]21	REAL300007295344	0	46	0.0	-64.85	326.58	6.50	-58.35
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC4CCCC[N@H+]43)C[C@@H]21	REAL300007295344	1	46	0.0	-62.72	325.84	6.52	-56.20
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295352	0	49	0.0	-66.30	338.48	4.75	-61.55
CC(C)[N@@H+]1CCC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C(C2=CN(C)N=C2)C1	REAL300007295357	0	58	0.0	-79.03	415.07	7.77	-71.26
CC(C)[N@H+]1CCC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C(C2=CN(C)N=C2)C1	REAL300007295357	1	58	0.0	-79.81	419.97	7.51	-72.30
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=N1	REAL300007295358	0	52	0.0	-80.93	392.66	6.79	-74.14
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=N1	REAL300007295358	1	52	0.0	-79.82	373.50	6.19	-73.63
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)=C2)CC1	REAL300007295363	0	54	0.0	-73.07	401.02	6.63	-66.44
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CC1	REAL300007295364	0	54	0.0	-63.26	397.80	6.39	-56.87
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CC1	REAL300007295364	1	54	0.0	-92.83	399.23	6.48	-86.35
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300007295365	0	55	0.0	-88.06	405.83	8.29	-79.77
CC(C)[NH+]1CCC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300007295372	0	48	0.0	-75.02	344.82	6.81	-68.21
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C(C[NH+]4CCC(CO)CC4)C=C3)C[C@@H]21	REAL300007295489	0	56	0.0	-63.17	413.28	6.31	-56.86
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300007295493	0	45	0.0	-83.83	344.77	7.27	-76.56
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300007295494	0	52	0.0	-51.37	379.14	9.27	-42.10
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300007295494	1	52	0.0	-73.75	384.00	9.02	-64.73
C#CC[NH+]1CCC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300007295561	0	44	0.0	-78.91	335.16	6.77	-72.14
CCC[N@@H+]1CCCCC1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295563	0	48	0.0	-68.23	346.10	7.01	-61.22
CCC[N@H+]1CCCCC1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295563	1	48	0.0	-71.76	340.28	6.80	-64.96
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295565	0	45	0.0	-61.54	338.50	7.21	-54.33
CC[NH+]1CCN(CCC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300007295567	0	50	0.0	-81.14	364.84	4.66	-76.48
CCN1CC[NH+](CCC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300007295567	1	50	0.0	-75.80	366.11	4.72	-71.08
CC(C)C(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)[NH+]1CCCCC1	REAL300007295569	0	51	0.0	-66.78	353.22	7.43	-59.35
C[NH+](C)C(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=CC=C1	REAL300007295570	1	45	0.0	-64.54	336.86	7.36	-57.18
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300007295574	0	50	0.0	-70.31	379.88	5.66	-64.65
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300007295574	1	50	0.0	-71.42	380.47	5.57	-65.85
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295580	1	46	0.0	-65.48	356.02	7.38	-58.10
C[NH+](C)CC1=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)OC2=CC=CC=C21	REAL300007295581	0	48	0.0	-60.06	369.62	8.03	-52.03
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@@H+]3C3CCCC3)C[C@@H]21	REAL300007295586	0	49	0.0	-72.24	343.65	7.76	-64.48
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCC[N@H+]3C3CCCC3)C[C@@H]21	REAL300007295586	1	49	0.0	-71.28	342.10	7.65	-63.63
CC(C)C(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)[NH+]1CC(C)OC(C)C1	REAL300007295614	1	55	0.0	-70.68	389.12	6.37	-64.31
CC(C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)[NH+]1CCCCCC1	REAL300007295615	0	48	0.0	-70.10	331.91	6.66	-63.44
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)=CC=C1N2	REAL300007295650	1	50	0.0	-99.50	377.32	7.61	-91.89
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)=CC=C1N2	REAL300007295650	1	50	0.0	-95.00	375.70	7.53	-87.47
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)O1	REAL300007295708	0	48	0.0	-82.00	365.83	7.33	-74.67
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21	REAL300007295709	0	48	0.0	-79.67	358.02	7.46	-72.21
CC1=CC=C(N2CCC(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)CC2)[NH+]=C1	REAL300007295711	1	51	0.0	-74.87	379.15	6.87	-68.00
C[N@H+](CC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)CC1=CC=CC=C1	REAL300007295712	1	45	0.0	-74.49	345.36	7.75	-66.74
C[N@@H+](CC(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1)CC1=CC=CC=C1	REAL300007295712	1	45	0.0	-74.62	345.40	7.76	-66.86
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CC1	REAL300007295716	0	57	0.0	-90.29	409.19	7.56	-82.73
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C[C@@H]21	REAL300007295731	1	40	0.0	-83.40	321.60	5.18	-78.22
C[NH+](C)CC1=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=NO1	REAL300007295760	1	41	0.0	-82.51	323.88	5.28	-77.23
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295765	0	52	0.0	-77.42	388.18	8.96	-68.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007295765	1	52	0.0	-74.77	386.34	9.28	-65.49
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300007295789	0	53	0.0	-89.92	409.23	8.60	-81.32
C[NH+]1CCC(OCC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300007295806	0	46	0.0	-86.11	347.11	6.29	-79.82
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C[C@@H]21	REAL300007295812	0	49	0.0	-86.03	369.62	7.79	-78.24
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)[C@@H](C(F)(F)F)C1	REAL300007295853	0	51	0.0	-80.63	377.96	7.16	-73.47
CC(C)(C)[N@H+]1C[C@H](C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)[C@@H](C(F)(F)F)C1	REAL300007295853	1	51	0.0	-70.24	374.42	7.10	-63.14
CCC[N@@H+]1CCCC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300007295998	0	48	0.0	-77.07	341.00	6.89	-70.18
CCC[N@H+]1CCCC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300007295998	1	48	0.0	-76.50	351.77	7.05	-69.45
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007296031	0	48	0.0	-68.81	337.93	7.41	-61.40
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007296031	1	48	0.0	-70.93	339.82	7.34	-63.59
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C[NH+]3CCC(CO)CC3)C[C@@H]21	REAL300007296034	0	46	0.0	-71.36	342.31	3.31	-68.05
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)C[C@@H]21	REAL300007296129	0	53	0.0	-82.06	389.75	9.32	-72.74
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)C[C@@H]21	REAL300007296129	1	53	0.0	-89.97	394.46	9.33	-80.64
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC(F)=C3)C[C@@H]21	REAL300007296168	1	52	0.0	-72.49	384.00	9.05	-63.44
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3CCCC[N@H+]3CC3=CC=CC(F)=C3)C[C@@H]21	REAL300007296168	1	52	0.0	-71.43	378.83	8.83	-62.60
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300007296256	0	48	0.0	-72.64	337.17	6.77	-65.87
CC(C)[N@H+]1CCCC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300007296256	1	48	0.0	-47.60	336.21	6.87	-40.73
C[N@@H+]1CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C(C(F)(F)F)C1	REAL300007296257	0	42	0.0	-79.06	328.87	5.73	-73.33
C[N@H+]1CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C(C(F)(F)F)C1	REAL300007296257	1	42	0.0	-83.55	316.29	5.90	-77.65
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)N1	REAL300007296282	1	43	0.0	-70.18	338.32	5.49	-64.69
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300007296764	0	48	0.0	-81.91	367.31	8.10	-73.81
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300007296771	0	49	0.0	-89.86	370.69	6.94	-82.92
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)C[C@@H]21	REAL300007296861	0	55	0.0	-76.33	406.76	10.03	-66.30
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CCO1	REAL300007296863	1	53	0.0	-95.39	396.11	7.39	-88.00
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CCO1	REAL300007296863	1	53	0.0	-64.22	387.51	7.30	-56.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300007296906	0	48	0.0	-66.37	337.19	6.79	-59.58
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300007296972	0	51	0.0	-72.24	369.28	7.77	-64.47
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300007296972	1	51	0.0	-72.24	369.28	7.77	-64.47
CN(C)CC1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)O1	REAL300007296978	0	42	0.0	-85.36	330.27	5.98	-79.38
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)O1	REAL300007296978	1	42	0.0	-85.36	330.27	5.98	-79.38
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300007296984	0	51	0.0	-88.38	344.53	6.25	-82.13
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300007296984	1	51	0.0	-88.38	344.53	6.25	-82.13
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C[C@@H]21	REAL300007296987	0	44	0.0	-68.15	318.41	7.46	-60.69
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007298079	0	56	0.0	-84.13	403.13	12.26	-71.87
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300007299414	0	50	0.0	-60.76	348.00	10.15	-50.61
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3C(C)(C)C(=O)[O-])CN12	REAL300007299437	1	48	0.0	-69.22	349.61	9.73	-59.49
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC3C(C)(C)C(=O)[O-])CC2)=CS1	REAL300007299498	1	55	0.0	-78.04	408.14	10.20	-67.84
CC(C(=O)N1CCCC1C(C)(C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300007299499	1	51	0.0	-57.70	350.42	7.11	-50.59
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC2C(C)(C)C(=O)[O-])C=C1	REAL300007299570	0	59	0.0	-78.61	431.90	11.92	-66.69
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=C1	REAL300007299575	0	59	0.0	-80.68	431.92	13.78	-66.90
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=C1	REAL300007299575	1	59	0.0	-80.71	432.40	14.05	-66.66
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300007299627	0	41	0.0	-63.44	301.84	10.15	-53.29
C[NH+](C)CC1(C(=O)N2CCCC2C(C)(C)C(=O)[O-])CCCCC1	REAL300007299652	0	55	0.0	-79.70	346.90	9.73	-69.97
C[N@H+](CCC(=O)N1CCCC1C(C)(C)C(=O)[O-])C1CCCCC1	REAL300007299655	0	55	0.0	-75.74	378.01	10.85	-64.89
C[N@@H+](CCC(=O)N1CCCC1C(C)(C)C(=O)[O-])C1CCCCC1	REAL300007299655	1	55	0.0	-75.90	379.00	10.79	-65.11
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007299716	0	49	0.0	-65.32	360.50	9.20	-56.12
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007299732	0	57	0.0	-67.29	384.25	9.06	-58.23
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007299760	1	47	0.0	-72.84	354.24	10.21	-62.63
CC(C)(C(=O)[O-])C1CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300007299761	1	53	0.0	-78.07	376.11	8.77	-69.30
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300007299762	0	58	0.0	-66.63	395.28	11.60	-55.03
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300007299762	1	58	0.0	-67.66	389.71	11.28	-56.38
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007299780	0	53	0.0	-54.12	380.04	11.44	-42.68
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007299780	1	53	0.0	-74.94	379.99	11.46	-63.48
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007299781	0	54	0.0	-85.60	385.85	10.92	-74.68
CC(C)(C(=O)[O-])C1CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007299809	0	57	0.0	-74.95	375.53	9.09	-65.86
CC(C(=O)N1CCCC1C(C)(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300007299814	0	52	0.0	-73.02	371.42	10.89	-62.13
CC(C(=O)N1CCCC1C(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300007299814	1	52	0.0	-47.00	368.05	11.20	-35.80
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300007299822	0	59	0.0	-57.43	418.39	13.18	-44.25
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300007299822	1	59	0.0	-77.86	417.02	12.92	-64.94
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C=N1	REAL300007299838	0	48	0.0	-68.22	345.87	8.60	-59.62
CCC[NH+](CCC)CCCC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007299845	0	57	0.0	-74.74	402.59	11.42	-63.32
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007299852	1	47	0.0	-66.00	345.07	9.95	-56.05
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007299865	0	53	0.0	-82.97	377.80	11.40	-71.57
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007299870	0	56	0.0	-76.68	396.83	12.03	-64.65
CCN1CCC([NH+]2CCC(C(=O)N3CCCC3C(C)(C)C(=O)[O-])CC2)CC1	REAL300007299876	0	64	0.0	-79.27	433.77	9.77	-69.50
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC3C(C)(C)C(=O)[O-])C=C2)CC(C)O1	REAL300007299883	1	60	0.0	-87.21	430.24	11.07	-76.14
CC(C)(C(=O)[O-])C1CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007299894	1	57	0.0	-82.82	407.22	11.18	-71.64
CC(C)(C(=O)[O-])C1CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007299894	1	57	0.0	-82.89	414.66	11.62	-71.27
CC1=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007299910	1	47	0.0	-72.90	346.29	8.79	-64.11
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007299913	0	56	0.0	-82.86	392.91	12.07	-70.79
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007299924	1	49	0.0	-79.01	363.66	9.61	-69.40
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C=C1	REAL300007299925	0	52	0.0	-74.79	372.63	10.96	-63.83
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007299930	1	45	0.0	-49.26	325.39	7.88	-41.38
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007299931	1	54	0.0	-68.11	381.55	10.82	-57.29
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007299931	1	54	0.0	-77.03	378.30	10.72	-66.31
CC(C(=O)N1CCCC1C(C)(C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007299941	0	62	0.0	-71.66	437.87	13.55	-58.11
CC(C(=O)N1CCCC1C(C)(C)C(=O)[O-])[NH+]1CCSCC1	REAL300007299970	1	47	0.0	-72.25	330.45	8.80	-63.45
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007299977	0	52	0.0	-75.35	378.57	11.60	-63.75
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007299977	1	52	0.0	-74.70	378.49	11.57	-63.13
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007299978	0	56	0.0	-75.91	408.50	7.72	-68.19
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007299978	1	56	0.0	-76.10	406.02	7.81	-68.29
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2C(C)(C)C(=O)[O-])C1	REAL300007299981	0	50	0.0	-68.37	339.83	7.20	-61.17
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2C(C)(C)C(=O)[O-])C1	REAL300007299981	1	50	0.0	-74.43	337.75	7.22	-67.21
CC(C)(C(=O)[O-])C1CCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007299988	0	61	0.0	-80.78	435.19	11.32	-69.46
CCCCCC[N@H+](C)CC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007299990	0	54	0.0	-74.84	386.05	10.97	-63.87
CCCCCC[N@@H+](C)CC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007299990	1	54	0.0	-72.91	382.81	10.87	-62.04
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300007300000	1	41	0.0	-81.15	307.23	10.33	-70.82
C[N@H+](CC(=O)N1CCCC1C(C)(C)C(=O)[O-])C1CCSC1	REAL300007300016	0	47	0.0	-76.22	339.12	9.44	-66.78
C[N@@H+](CC(=O)N1CCCC1C(C)(C)C(=O)[O-])C1CCSC1	REAL300007300016	1	47	0.0	-77.40	338.45	9.42	-67.98
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2C(C)(C)C(=O)[O-])CC1	REAL300007300029	0	57	0.0	-74.42	396.32	8.35	-66.07
CC(C)N1CC[NH+](CCC(=O)N2CCCC2C(C)(C)C(=O)[O-])CC1	REAL300007300029	1	57	0.0	-77.18	398.01	8.46	-68.72
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2C(C)(C)C(=O)[O-])CC1	REAL300007300030	0	60	0.0	-72.08	411.34	8.86	-63.22
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2C(C)(C)C(=O)[O-])CC1	REAL300007300030	1	60	0.0	-76.24	414.25	8.95	-67.29
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300007300031	0	50	0.0	-63.81	339.78	9.72	-54.09
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300007300031	1	50	0.0	-71.34	331.52	9.24	-62.10
C[NH+](C)CCN1C=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C=N1	REAL300007300033	0	49	0.0	-82.42	361.66	8.24	-74.18
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC3C(C)(C)C(=O)[O-])CC2)=C1	REAL300007300036	0	61	0.0	-80.47	434.59	11.14	-69.33
CC(C)(C(=O)[O-])C1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007300038	0	58	0.0	-81.16	416.07	10.66	-70.50
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300007300040	0	55	0.0	-77.70	379.10	10.34	-67.36
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300007300040	1	55	0.0	-79.24	397.50	10.33	-68.91
CC(C(=O)N1CCCC1C(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007300045	1	53	0.0	-70.70	376.72	11.50	-59.20
CC(C(=O)N1CCCC1C(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007300045	1	53	0.0	-73.43	375.62	11.55	-61.88
CC(C)(C(=O)[O-])C1CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007300068	0	56	0.0	-78.75	400.44	12.32	-66.43
CC(C)(C(=O)[O-])C1CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007300068	1	56	0.0	-80.04	405.32	12.45	-67.59
C[NH+](C)CCN1C=CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=N1	REAL300007300081	0	49	0.0	-88.41	365.09	8.99	-79.42
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007300082	0	49	0.0	-60.59	351.10	8.48	-52.11
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007300083	1	50	0.0	-67.66	363.43	10.36	-57.30
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=NN1	REAL300007300087	1	50	0.0	-79.90	360.54	8.43	-71.47
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=NN1	REAL300007300087	1	50	0.0	-79.48	363.61	8.41	-71.07
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300007300096	0	56	0.0	-57.54	402.24	12.36	-45.18
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300007300096	1	56	0.0	-79.44	409.05	12.25	-67.19
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007300100	1	50	0.0	-54.13	347.74	7.66	-46.47
CC(C)(C(=O)[O-])C1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300007300101	0	57	0.0	-79.26	411.44	9.96	-69.30
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007300145	0	56	0.0	-72.52	380.66	11.02	-61.50
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007300145	1	56	0.0	-75.87	382.62	10.88	-64.99
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300007300161	0	50	0.0	-67.63	337.89	9.53	-58.10
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300007300161	1	50	0.0	-65.04	342.06	9.93	-55.11
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC3C(C)(C)C(=O)[O-])=C2)CC1	REAL300007300175	0	58	0.0	-71.37	408.83	9.56	-61.81
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC3C(C)(C)C(=O)[O-])C=C2)CC1	REAL300007300176	0	58	0.0	-73.52	409.04	9.58	-63.94
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC3C(C)(C)C(=O)[O-])C=C2)CC1	REAL300007300176	1	58	0.0	-83.83	409.43	9.52	-74.31
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C=C1	REAL300007300177	0	59	0.0	-72.18	415.25	11.26	-60.92
CC(C)[NH+]1CCC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])CC1	REAL300007300184	0	52	0.0	-77.57	355.88	9.76	-67.81
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007300273	0	60	0.0	-85.46	424.59	9.37	-76.09
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=C1	REAL300007300277	0	49	0.0	-78.09	355.32	10.18	-67.91
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007300278	0	56	0.0	-74.95	400.48	12.21	-62.74
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007300278	1	56	0.0	-73.28	397.68	12.11	-61.17
C#CC[NH+]1CCC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])CC1	REAL300007300325	0	48	0.0	-82.29	351.80	9.89	-72.40
CC[NH+]1CCN(CCC(=O)N2CCCC2C(C)(C)C(=O)[O-])CC1	REAL300007300328	0	54	0.0	-76.95	381.94	7.96	-68.99
CCN1CC[NH+](CCC(=O)N2CCCC2C(C)(C)C(=O)[O-])CC1	REAL300007300328	1	54	0.0	-77.02	381.38	7.92	-69.10
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007300335	1	50	0.0	-68.77	368.68	10.46	-58.31
CC(C(=O)N1CCCC1C(C)(C)C(=O)[O-])[NH+]1CCCCCC1	REAL300007300363	0	52	0.0	-66.16	348.32	9.54	-56.62
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3C(C)(C)C(=O)[O-])=CC=C1N2	REAL300007300394	1	54	0.0	-80.78	386.94	10.56	-70.22
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3C(C)(C)C(=O)[O-])=CC=C1N2	REAL300007300394	1	54	0.0	-77.01	384.88	10.53	-66.48
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])O1	REAL300007300438	0	52	0.0	-79.33	378.24	10.23	-69.10
CC(C)(C(=O)[O-])C1CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300007300439	0	52	0.0	-77.29	372.99	10.50	-66.79
CC1=CC=C(N2CCC(C(=O)N3CCCC3C(C)(C)C(=O)[O-])CC2)[NH+]=C1	REAL300007300441	1	55	0.0	-62.46	388.21	10.25	-52.21
C[N@H+](CC(=O)N1CCCC1C(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300007300442	1	49	0.0	-77.80	358.98	10.80	-67.00
C[N@@H+](CC(=O)N1CCCC1C(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300007300442	1	49	0.0	-76.31	356.15	10.76	-65.55
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC3C(C)(C)C(=O)[O-])C=C2)CC1	REAL300007300446	0	61	0.0	-74.18	418.17	10.48	-63.70
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007300458	1	44	0.0	-80.11	333.30	8.12	-71.99
C[NH+](C)CC1=CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=NO1	REAL300007300480	1	45	0.0	-80.60	339.50	8.51	-72.09
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007300485	0	56	0.0	-81.53	401.01	12.09	-69.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C(C)(C)C(=O)[O-]	REAL300007300485	1	56	0.0	-77.13	392.11	11.66	-65.47
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC2C(C)(C)C(=O)[O-])C=C1	REAL300007300508	0	57	0.0	-82.32	422.03	11.62	-70.70
C[NH+]1CCC(OCC(=O)N2CCCC2C(C)(C)C(=O)[O-])CC1	REAL300007300520	0	50	0.0	-80.13	357.73	9.08	-71.05
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007300526	0	53	0.0	-79.74	382.72	10.78	-68.96
CCC[N@@H+]1CCCC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C1	REAL300007300664	0	52	0.0	-67.94	349.43	10.00	-57.94
CCC[N@H+]1CCCC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C1	REAL300007300664	1	52	0.0	-74.18	360.79	9.83	-64.35
CC(C)(C(=O)[O-])C1CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300007300693	0	50	0.0	-74.40	351.25	6.29	-68.11
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C1	REAL300007300863	0	52	0.0	-71.41	354.77	9.73	-61.68
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C1	REAL300007300863	1	52	0.0	-72.04	355.82	9.70	-62.34
C[N@@H+]1CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300007300864	0	46	0.0	-83.94	339.39	8.72	-75.22
C[N@H+]1CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300007300864	1	46	0.0	-78.04	337.71	8.71	-69.33
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2C(C)(C)C(=O)[O-])N1	REAL300007300887	1	47	0.0	-69.03	351.11	8.46	-60.57
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=C1	REAL300007301269	0	52	0.0	-78.47	377.77	11.01	-67.46
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C=C1	REAL300007301276	0	53	0.0	-82.71	385.16	9.98	-72.73
CC(C)(C(=O)[O-])C1CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007301359	0	59	0.0	-76.08	419.00	13.17	-62.91
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC3C(C)(C)C(=O)[O-])C=C2)CCO1	REAL300007301361	1	57	0.0	-85.74	402.04	10.54	-75.20
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC3C(C)(C)C(=O)[O-])C=C2)CCO1	REAL300007301361	1	57	0.0	-86.47	402.71	10.49	-75.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2C(C)(C)C(=O)[O-])CC1	REAL300007301387	0	52	0.0	-68.68	342.40	9.44	-59.24
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3C(C)(C)C(=O)[O-])=CN21	REAL300007301392	0	44	0.0	-71.60	329.17	10.08	-61.52
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C1	REAL300007301440	0	55	0.0	-54.94	364.76	11.65	-43.29
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C1	REAL300007301440	1	55	0.0	-66.87	360.63	10.58	-56.29
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])O1	REAL300007301446	1	46	0.0	-81.32	342.21	9.00	-72.32
CC(C)(C(=O)[O-])C1CCCN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300007301454	0	48	0.0	-48.77	324.76	9.27	-39.50
CC(C)(C(=O)[O-])C1CCCN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300007301454	1	48	0.0	-54.54	333.09	9.63	-44.91
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007302517	0	53	0.0	-62.01	390.62	11.20	-50.81
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])CC3(C)C)CN12	REAL300007303805	1	45	0.0	-53.71	342.32	8.84	-44.87
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C(=O)[O-])CC3(C)C)CC2)=CS1	REAL300007303857	1	52	0.0	-61.52	398.01	8.95	-52.57
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC2(C)C)C=C1	REAL300007303919	0	56	0.0	-65.50	427.65	11.01	-54.49
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)=C1	REAL300007303925	0	56	0.0	-69.57	424.35	12.88	-56.69
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)=C1	REAL300007303925	1	56	0.0	-69.44	425.30	12.92	-56.52
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])CC2(C)C)CCCCC1	REAL300007303993	0	52	0.0	-55.35	352.43	9.07	-46.28
C[N@H+](CCC(=O)N1CC(C(=O)[O-])CC1(C)C)C1CCCCC1	REAL300007303995	0	52	0.0	-57.40	372.03	9.86	-47.54
C[N@@H+](CCC(=O)N1CC(C(=O)[O-])CC1(C)C)C1CCCCC1	REAL300007303995	1	52	0.0	-57.51	372.13	9.87	-47.64
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007304054	0	46	0.0	-65.55	358.59	8.46	-57.09
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007304073	0	54	0.0	-57.49	374.74	8.07	-49.42
CC1(C)CC(C(=O)[O-])CN1C(=O)CCCC[NH+]1CCOCC1	REAL300007304097	1	50	0.0	-63.51	371.88	7.86	-55.65
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)C=C1)C(C)C	REAL300007304098	0	55	0.0	-61.24	391.86	10.74	-50.50
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)C=C1)C(C)C	REAL300007304098	1	55	0.0	-61.89	386.41	10.50	-51.39
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007304115	0	50	0.0	-58.67	374.50	10.47	-48.20
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007304115	1	50	0.0	-59.79	376.83	10.62	-49.17
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007304116	0	51	0.0	-66.15	368.96	9.60	-56.55
CC1(C)CC(C(=O)[O-])CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007304138	0	54	0.0	-57.68	370.72	8.12	-49.56
CC(C(=O)N1CC(C(=O)[O-])CC1(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300007304141	0	49	0.0	-52.79	367.03	10.20	-42.59
CC(C(=O)N1CC(C(=O)[O-])CC1(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300007304141	1	49	0.0	-53.61	366.88	10.18	-43.43
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300007304149	0	56	0.0	-62.92	413.12	12.00	-50.92
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300007304149	1	56	0.0	-56.87	407.87	12.31	-44.56
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)C=N1	REAL300007304166	0	45	0.0	-62.14	343.95	7.83	-54.31
CCC[NH+](CCC)CCCC(=O)N1CC(C(=O)[O-])CC1(C)C	REAL300007304173	0	54	0.0	-59.35	396.14	10.47	-48.88
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007304191	0	50	0.0	-64.45	371.27	10.37	-54.08
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007304196	0	53	0.0	-64.68	390.15	11.18	-53.50
CCC(C(=O)N1CC(C(=O)[O-])CC1(C)C)[N@@H+]1CCOC(CC)C1	REAL300007304199	1	53	0.0	-53.79	376.14	8.11	-45.68
CCC(C(=O)N1CC(C(=O)[O-])CC1(C)C)[N@H+]1CCOC(CC)C1	REAL300007304199	1	53	0.0	-51.71	376.63	8.28	-43.43
CCN1CCC([NH+]2CCC(C(=O)N3CC(C(=O)[O-])CC3(C)C)CC2)CC1	REAL300007304202	0	61	0.0	-60.32	420.35	8.68	-51.64
CC1C[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC3(C)C)C=C2)CC(C)O1	REAL300007304209	1	57	0.0	-67.14	423.18	10.20	-56.94
CC1(C)CC(C(=O)[O-])CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007304218	1	54	0.0	-66.52	401.58	10.69	-55.83
CC1(C)CC(C(=O)[O-])CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007304218	1	54	0.0	-65.50	408.24	10.73	-54.77
CC1=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300007304232	1	44	0.0	-71.45	346.04	7.73	-63.72
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007304235	0	53	0.0	-64.85	388.58	11.10	-53.75
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007304246	1	46	0.0	-70.35	355.48	8.65	-61.70
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)C=C1	REAL300007304247	0	49	0.0	-67.95	370.77	10.15	-57.80
CC(C(=O)N1CC(C(=O)[O-])CC1(C)C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007304260	0	59	0.0	-53.67	430.33	12.64	-41.03
CC(C(=O)N1CC(C(=O)[O-])CC1(C)C)[NH+]1CCSCC1	REAL300007304282	1	44	0.0	-53.58	331.05	8.18	-45.40
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC1(C)C	REAL300007304289	0	49	0.0	-58.16	372.75	10.66	-47.50
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC1(C)C	REAL300007304289	1	49	0.0	-58.19	372.77	10.67	-47.52
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])CC1(C)C	REAL300007304290	0	53	0.0	-58.56	401.78	6.88	-51.68
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])CC1(C)C	REAL300007304290	1	53	0.0	-59.58	401.79	6.90	-52.68
CC1(C)CC(C(=O)[O-])CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007304297	0	58	0.0	-64.12	427.88	10.39	-53.73
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC1(C)C)C1CCSC1	REAL300007304319	0	44	0.0	-57.88	333.05	8.46	-49.42
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC1(C)C)C1CCSC1	REAL300007304319	1	44	0.0	-58.49	332.89	8.49	-50.00
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])CC2(C)C)CC1	REAL300007304329	0	54	0.0	-58.86	383.86	7.05	-51.81
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(=O)[O-])CC2(C)C)CC1	REAL300007304330	0	57	0.0	-59.97	410.46	8.24	-51.73
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(=O)[O-])CC2(C)C)CC1	REAL300007304330	1	57	0.0	-60.28	406.78	8.03	-52.25
C[NH+](C)CCN1C=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)C=N1	REAL300007304332	0	46	0.0	-70.46	352.96	7.35	-63.11
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C(=O)[O-])CC3(C)C)CC2)=C1	REAL300007304335	0	58	0.0	-61.58	427.78	10.25	-51.33
CC1(C)CC(C(=O)[O-])CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007304337	0	55	0.0	-61.57	406.38	9.59	-51.98
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300007304340	0	52	0.0	-61.26	379.44	9.55	-51.71
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300007304340	1	52	0.0	-61.31	379.11	9.54	-51.77
CC(C(=O)N1CC(C(=O)[O-])CC1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007304345	0	50	0.0	-53.35	364.33	10.45	-42.90
CC(C(=O)N1CC(C(=O)[O-])CC1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300007304345	1	50	0.0	-53.52	365.26	10.53	-42.99
CC(C(=O)N1CC(C(=O)[O-])CC1(C)C)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300007304347	1	55	0.0	-57.16	407.12	9.42	-47.74
CC1(C)CC(C(=O)[O-])CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007304364	0	53	0.0	-62.39	396.50	11.41	-50.98
CC1(C)CC(C(=O)[O-])CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007304364	1	53	0.0	-62.82	398.14	11.48	-51.34
C[NH+](C)CCN1C=CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)=N1	REAL300007304375	0	46	0.0	-65.54	355.71	7.97	-57.57
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC1(C)C	REAL300007304376	0	46	0.0	-60.21	348.96	7.39	-52.82
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C(=O)[O-])CC1(C)C	REAL300007304377	1	47	0.0	-52.49	359.56	9.48	-43.01
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)=NN1	REAL300007304380	1	47	0.0	-68.50	356.39	7.51	-60.99
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)=NN1	REAL300007304380	1	47	0.0	-68.68	356.82	7.50	-61.18
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300007304388	0	53	0.0	-63.94	397.01	11.22	-52.72
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300007304388	1	53	0.0	-62.43	396.93	11.22	-51.21
CC1(C)CC(C(=O)[O-])CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300007304392	0	54	0.0	-60.96	404.13	9.00	-51.96
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007304428	0	53	0.0	-55.98	374.78	9.99	-45.99
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007304428	1	53	0.0	-56.63	378.86	10.07	-46.56
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC3(C)C)=C2)CC1	REAL300007304453	0	55	0.0	-65.20	407.27	8.75	-56.45
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC3(C)C)C=C2)CC1	REAL300007304454	0	55	0.0	-66.50	406.03	8.56	-57.94
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC3(C)C)C=C2)CC1	REAL300007304454	1	55	0.0	-65.23	406.36	8.62	-56.61
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)C=C1	REAL300007304455	0	56	0.0	-65.73	412.71	10.42	-55.31
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007304532	0	57	0.0	-67.86	421.54	8.48	-59.38
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)=C1	REAL300007304536	0	46	0.0	-66.01	347.79	9.30	-56.71
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007304537	0	53	0.0	-56.55	385.00	11.44	-45.11
CC1(C)CC(C(=O)[O-])CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007304537	1	53	0.0	-56.71	385.00	11.45	-45.26
CC[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])CC2(C)C)CC1	REAL300007304578	0	51	0.0	-60.14	371.07	6.77	-53.37
CCN1CC[NH+](CCC(=O)N2CC(C(=O)[O-])CC2(C)C)CC1	REAL300007304578	1	51	0.0	-57.40	372.19	6.90	-50.50
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])CC1(C)C	REAL300007304584	1	47	0.0	-52.26	359.05	9.42	-42.84
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CC3(C)C)=CC=C1N2	REAL300007304631	1	51	0.0	-61.38	383.69	9.71	-51.67
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CC3(C)C)=CC=C1N2	REAL300007304631	1	51	0.0	-60.70	383.05	9.71	-50.99
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)O1	REAL300007304671	0	49	0.0	-57.59	371.40	9.46	-48.13
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])CC3(C)C)CC2)[NH+]=C1	REAL300007304672	1	52	0.0	-56.67	387.63	9.19	-47.48
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC1(C)C)CC1=CC=CC=C1	REAL300007304673	1	46	0.0	-56.67	350.29	9.83	-46.84
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC1(C)C)CC1=CC=CC=C1	REAL300007304673	1	46	0.0	-56.62	350.28	9.83	-46.79
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC3(C)C)C=C2)CC1	REAL300007304676	0	58	0.0	-65.53	416.01	9.68	-55.85
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007304685	1	41	0.0	-69.79	327.95	7.29	-62.50
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])CC1(C)C	REAL300007304712	0	53	0.0	-59.29	394.45	11.28	-48.01
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])CC1(C)C	REAL300007304712	1	53	0.0	-58.91	395.42	11.13	-47.78
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC2(C)C)C=C1	REAL300007304729	0	54	0.0	-67.40	415.15	10.72	-56.68
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007304743	0	50	0.0	-59.38	377.09	9.98	-49.40
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)C(C(F)(F)F)C1	REAL300007305037	0	43	0.0	-66.70	324.28	7.55	-59.15
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)C(C(F)(F)F)C1	REAL300007305037	1	43	0.0	-66.98	323.95	7.48	-59.50
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)=C1	REAL300007305377	0	49	0.0	-68.71	370.89	10.14	-58.57
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)C=C1	REAL300007305382	0	50	0.0	-67.11	378.08	9.09	-58.02
CC1(C)CC(C(=O)[O-])CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007305454	0	56	0.0	-62.12	413.32	12.20	-49.92
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC3(C)C)C=C2)CCO1	REAL300007305456	1	54	0.0	-66.47	394.39	9.46	-57.01
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC3(C)C)C=C2)CCO1	REAL300007305456	1	54	0.0	-67.18	395.37	9.48	-57.70
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])CC3(C)C)=CN21	REAL300007305480	0	41	0.0	-53.80	330.54	9.40	-44.40
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC2(C)C)C1	REAL300007305517	0	52	0.0	-54.39	364.55	9.83	-44.56
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC2(C)C)C1	REAL300007305517	1	52	0.0	-53.28	364.71	9.98	-43.30
CC1(C)CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC2=CC=CC=C21	REAL300007305611	0	56	0.0	-49.86	397.04	10.33	-39.53
CC1(C)CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC2=CC=CC=C21	REAL300007305611	1	56	0.0	-50.50	398.30	10.38	-40.12
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Br)C=C2O)C1	REAL300007305742	0	41	0.0	-50.54	341.76	5.21	-45.33
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(Br)C=C2O)C1	REAL300007305742	1	41	0.0	-49.37	347.95	5.23	-44.14
CC(C)N1C=NC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300007305833	0	46	0.0	-47.63	354.01	7.95	-39.68
CC(C)N1C=NC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300007305833	1	46	0.0	-49.80	360.20	7.97	-41.83
C[NH+](C)C1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C(C)(C)C1	REAL300007305865	0	47	0.0	-92.02	358.10	8.82	-83.20
CCOC1=CC(C(=O)N2CC([NH+](C)C)CC2(C)C)=CC=C1OCC(=O)[O-]	REAL300007305866	0	54	0.0	-85.81	409.13	9.50	-76.31
C[NH+](C)C1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C(C)(C)C1	REAL300007305867	0	49	0.0	-83.03	376.88	10.47	-72.56
C[NH+](C)C1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C(C)(C)C1	REAL300007305868	0	47	0.0	-84.64	364.37	10.16	-74.48
C[NH+](C)C1CN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)(C)C1	REAL300007305869	0	51	0.0	-81.22	409.52	5.34	-75.88
C[NH+](C)C1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)(C)C1	REAL300007305870	0	45	0.0	-59.82	355.21	9.21	-50.61
C[NH+](C)C1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)(C)C1	REAL300007305871	0	45	0.0	-59.82	355.21	9.21	-50.61
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC([NH+](C)C)CC2(C)C)C=C1	REAL300007305872	0	53	0.0	-87.83	402.20	10.12	-77.71
C[NH+](C)C1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C(C)(C)C1	REAL300007305873	0	49	0.0	-77.07	368.31	10.20	-66.87
CC1=CC(C(=O)N2CC([NH+](C)C)CC2(C)C)=CC(C)=C1OCC(=O)[O-]	REAL300007305874	0	53	0.0	-84.60	401.47	10.34	-74.26
C[NH+](C)C1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C(C)(C)C1	REAL300007305875	0	46	0.0	-92.98	355.47	9.64	-83.34
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)(C)C1	REAL300007305876	0	43	0.0	-82.79	330.62	8.61	-74.18
C[NH+](C)C1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)(C)C1	REAL300007305877	0	46	0.0	-95.52	355.46	9.66	-85.86
CC1=NC(C(=O)N2CC([NH+](C)C)CC2(C)C)=CC=C1C(=O)[O-]	REAL300007305878	0	45	0.0	-70.16	345.02	8.30	-61.86
C[NH+](C)C1CN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C(C)(C)C1	REAL300007305879	0	43	0.0	-58.48	348.34	9.14	-49.34
C[NH+](C)C1CN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)(C)C1	REAL300007305880	0	46	0.0	-90.27	349.20	9.31	-80.96
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC([NH+](C)C)CC1(C)C	REAL300007305881	0	46	0.0	-84.13	360.50	8.51	-75.62
C[NH+](C)C1CN(C(=O)CC2CCC(C(=O)[O-])CC2)C(C)(C)C1	REAL300007305882	0	52	0.0	-72.61	367.35	9.65	-62.96
C[NH+](C)C1CN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C(C)(C)C1	REAL300007305883	0	45	0.0	-93.30	359.32	7.69	-85.61
C[NH+](C)C1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C(C)(C)C1	REAL300007305884	0	50	0.0	-95.08	378.00	9.83	-85.25
C[NH+](C)C1CN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C(C)(C)C1	REAL300007305885	0	56	0.0	-73.53	410.02	11.88	-61.65
C[NH+](C)C1CN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)C(C)(C)C1	REAL300007305886	0	44	0.0	-63.45	347.37	8.57	-54.88
C[NH+](C)C1CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)(C)C1	REAL300007305887	0	47	0.0	-80.58	358.06	8.83	-71.75
C[NH+](C)C1CN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)(C)C1	REAL300007305888	0	46	0.0	-74.63	349.22	9.32	-65.31
C[NH+](C)C1CN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C)(C)C1	REAL300007305889	0	47	0.0	-81.70	359.15	9.84	-71.86
C[NH+](C)C1CN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)C(C)(C)C1	REAL300007305890	0	44	0.0	-81.62	348.85	8.38	-73.24
C[NH+](C)C1CN(C(=O)COCC2=C(C(=O)[O-])N=CO2)C(C)(C)C1	REAL300007305891	0	46	0.0	-92.20	363.58	4.67	-87.53
C[NH+](C)C1CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C(C)(C)C1	REAL300007305892	0	44	0.0	-71.35	350.47	8.75	-62.60
CC1=CC=C(C(=O)N2CC([NH+](C)C)CC2(C)C)C=C1C(=O)[O-]	REAL300007305893	0	46	0.0	-97.74	341.56	9.05	-88.69
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC([NH+](C)C)CC1(C)C	REAL300007305894	0	45	0.0	-61.14	341.83	7.38	-53.76
C[NH+](C)C1CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C(C)(C)C1	REAL300007305895	0	49	0.0	-104.72	380.48	8.51	-96.21
C[NH+](C)C1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C(C)(C)C1	REAL300007305896	0	50	0.0	-94.29	372.79	8.75	-85.54
C[NH+](C)C1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C(C)(C)C1	REAL300007305897	0	50	0.0	-82.77	373.66	7.78	-74.99
C[NH+](C)C1CN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C(C)(C)C1	REAL300007305898	0	51	0.0	-70.29	361.64	10.07	-60.22
C[NH+](C)C1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C(C)(C)C1	REAL300007305900	0	50	0.0	-95.08	378.00	9.83	-85.25
C[NH+](C)C1CN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C(C)(C)C1	REAL300007305901	0	50	0.0	-104.44	388.83	11.08	-93.36
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC([NH+](C)C)CC1(C)C	REAL300007305902	0	46	0.0	-62.59	346.64	9.15	-53.44
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC([NH+](C)C)CC1(C)C	REAL300007305903	0	45	0.0	-79.31	335.41	7.21	-72.10
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC([NH+](C)C)CC1(C)C	REAL300007305904	0	46	0.0	-77.16	347.38	9.24	-67.92
C[NH+](C)C1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)(C)C1	REAL300007305905	0	43	0.0	-79.17	339.58	9.03	-70.14
C[NH+](C)C1CN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)C(C)(C)C1	REAL300007305906	0	50	0.0	-84.08	371.17	9.80	-74.28
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC([NH+](C)C)CC2(C)C)=C1	REAL300007305907	0	46	0.0	-52.00	355.16	7.00	-45.00
C[NH+](C)C1CN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C)(C)C1	REAL300007305908	0	49	0.0	-79.86	370.61	10.13	-69.73
C[NH+](C)C1CN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C(C)(C)C1	REAL300007305909	0	47	0.0	-80.30	364.54	9.48	-70.82
CC1=C(C(=O)N2CC([NH+](C)C)CC2(C)C)C=C(C(=O)[O-])S1	REAL300007305910	0	43	0.0	-63.43	339.17	8.43	-55.00
C[NH+](C)C1CN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C(C)(C)C1	REAL300007305911	0	43	0.0	-86.20	355.52	9.08	-77.12
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC([NH+](C)C)CC2(C)C)=C1	REAL300007305912	0	47	0.0	-83.76	367.89	8.23	-75.53
C[NH+](C)C1CN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C(C)(C)C1	REAL300007305913	0	46	0.0	-98.88	360.82	9.76	-89.12
C[NH+](C)C1CN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C(C)(C)C1	REAL300007305914	0	48	0.0	-80.56	363.92	8.44	-72.12
C[NH+](C)C1CN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C(C)(C)C1	REAL300007305915	0	47	0.0	-84.66	364.39	10.16	-74.50
C[NH+](C)C1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C(C)(C)C1	REAL300007305916	0	44	0.0	-62.19	351.14	8.14	-54.05
C[NH+](C)C1CN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C(C)(C)C1	REAL300007305917	0	44	0.0	-80.65	351.36	8.26	-72.39
C[NH+](C)C1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C(C)(C)C1	REAL300007305918	0	44	0.0	-65.09	342.83	7.27	-57.82
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC([NH+](C)C)CC1(C)C	REAL300007305919	0	46	0.0	-87.61	341.27	9.06	-78.55
C[NH+](C)C1CN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C(C)(C)C1	REAL300007305920	0	46	0.0	-84.55	360.16	8.38	-76.17
C[NH+](C)C1CN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C(C)(C)C1	REAL300007305921	0	48	0.0	-78.93	349.22	7.25	-71.68
C[NH+](C)C1CN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C(C)(C)C1	REAL300007305922	0	49	0.0	-85.34	366.16	10.62	-74.72
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC([NH+](C)C)CC1(C)C	REAL300007305923	0	49	0.0	-97.13	372.18	10.13	-87.00
C[NH+](C)C1CN(C(=O)CC2=CC(C(=O)[O-])=CS2)C(C)(C)C1	REAL300007305924	0	43	0.0	-91.76	347.03	8.80	-82.96
C[NH+](C)C1CN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C(C)(C)C1	REAL300007305925	0	46	0.0	-98.63	360.01	9.69	-88.94
C[NH+](C)C1CN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C(C)(C)C1	REAL300007305926	0	50	0.0	-70.63	375.01	10.09	-60.54
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C34CC5CC(CC(C5)C3)C4)CC2)C1	REAL300007305996	0	58	0.0	-47.19	392.76	10.52	-36.67
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C34CC5CC(CC(C5)C3)C4)CC2)C1	REAL300007305996	1	58	0.0	-46.50	392.12	10.50	-36.00
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007306244	1	46	0.0	-52.21	359.39	9.18	-43.03
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007306244	1	46	0.0	-54.39	354.51	9.48	-44.91
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007306423	0	59	0.0	-49.18	409.56	7.18	-42.00
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007306423	1	59	0.0	-50.05	409.42	7.19	-42.86
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCCOC12CCOCC2	REAL300007306541	0	52	0.0	-47.09	366.46	6.00	-41.09
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCCOC12CCOCC2	REAL300007306541	1	52	0.0	-45.94	365.61	5.56	-40.38
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCCOC12CCC2	REAL300007306613	0	48	0.0	-45.14	347.15	6.88	-38.26
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCCOC12CCC2	REAL300007306613	1	48	0.0	-46.16	352.63	6.85	-39.31
CC1=CC=C2CC(C)(C)N(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300007306806	0	53	0.0	-44.28	378.77	10.95	-33.33
CC1=CC=C2CC(C)(C)N(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300007306806	1	53	0.0	-47.95	386.17	11.39	-36.56
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CC(C4CC4)=NO3)CC2)C1	REAL300007306924	0	52	0.0	-48.30	382.47	8.83	-39.47
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CC(C4CC4)=NO3)CC2)C1	REAL300007306924	1	52	0.0	-50.99	389.92	9.30	-41.69
CC1(C)C(O)C(C)(C)C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007307010	0	50	0.0	-47.61	361.64	5.42	-42.19
CC1(C)C(O)C(C)(C)C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007307010	1	50	0.0	-50.00	362.22	5.51	-44.49
O=C([O-])[C@]12CCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)[C@H]1CCCC2	REAL300007308095	0	57	0.0	-82.20	410.23	12.17	-70.03
O=C([O-])[C@]12CCN(C(=O)C3CC[NH+](C4CC4)CC3)[C@H]1CCCC2	REAL300007309418	0	51	0.0	-80.21	357.57	9.90	-70.31
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)CN12	REAL300007309445	1	49	0.0	-70.45	357.92	9.68	-60.77
CC1=NC(C[NH+]2CCC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)CC2)=CS1	REAL300007309508	1	56	0.0	-81.38	417.64	9.93	-71.45
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)N1CC[NH+](C)CC1	REAL300007309509	1	52	0.0	-74.41	368.55	7.57	-66.84
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007309581	0	60	0.0	-83.38	443.98	11.87	-71.51
O=C([O-])[C@]12CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)[C@H]1CCCC2	REAL300007309638	0	42	0.0	-61.10	310.50	9.99	-51.11
C[NH+](C)CC1(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CCCCC1	REAL300007309666	0	56	0.0	-58.23	359.63	10.15	-48.08
C[N@H+](CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)C1CCCCC1	REAL300007309670	0	56	0.0	-65.81	390.80	11.31	-54.50
C[N@@H+](CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)C1CCCCC1	REAL300007309670	1	56	0.0	-74.85	387.33	10.69	-64.16
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)[C@H]1CCCC2	REAL300007309731	0	50	0.0	-85.69	375.00	9.29	-76.40
O=C([O-])[C@]12CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)[C@H]1CCCC2	REAL300007309746	0	58	0.0	-82.22	401.12	9.21	-73.01
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007309773	1	48	0.0	-66.36	364.38	10.31	-56.05
O=C([O-])[C@]12CCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]1CCCC2	REAL300007309774	1	54	0.0	-80.96	387.20	8.68	-72.28
CC[N@H+](CC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1)C(C)C	REAL300007309775	0	59	0.0	-72.94	412.74	11.84	-61.10
CC[N@@H+](CC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1)C(C)C	REAL300007309775	1	59	0.0	-73.15	404.21	11.43	-61.72
O=C([O-])[C@]12CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007309794	0	54	0.0	-66.38	391.84	11.63	-54.75
O=C([O-])[C@]12CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007309794	1	54	0.0	-75.75	394.26	11.61	-64.14
O=C([O-])[C@]12CCN(C(=O)C3CC[NH+](C4CCSC4)CC3)[C@H]1CCCC2	REAL300007309795	0	55	0.0	-81.27	387.26	10.52	-70.75
O=C([O-])[C@]12CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)[C@H]1CCCC2	REAL300007309823	0	58	0.0	-74.43	388.87	9.15	-65.28
CCC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[NH+](CC)CC	REAL300007309827	0	52	0.0	-61.46	352.09	9.21	-52.25
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[N@H+](C)CC1=CC=CC=C1	REAL300007309829	0	53	0.0	-67.45	382.79	11.01	-56.44
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[N@@H+](C)CC1=CC=CC=C1	REAL300007309829	1	53	0.0	-67.77	382.52	11.01	-56.76
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007309837	0	60	0.0	-69.86	425.73	13.22	-56.64
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007309837	1	60	0.0	-83.96	423.40	12.89	-71.07
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=N1	REAL300007309851	0	49	0.0	-88.48	359.48	8.29	-80.19
CCC[NH+](CCC)CCCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007309858	0	58	0.0	-76.12	411.49	11.32	-64.80
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007309866	1	48	0.0	-57.32	358.03	10.44	-46.88
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)[C@H]1CCCC2	REAL300007309880	0	54	0.0	-70.96	382.46	11.11	-59.85
O=C([O-])[C@]12CCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)[C@H]1CCCC2	REAL300007309885	0	57	0.0	-80.53	405.47	12.02	-68.51
CCN1CCC([NH+]2CCC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)CC2)CC1	REAL300007309890	0	65	0.0	-82.91	435.06	9.38	-73.53
O=C([O-])[C@]12CCN(C(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)[C@H]1CCCC2	REAL300007309909	1	58	0.0	-86.31	426.38	11.85	-74.46
O=C([O-])[C@]12CCN(C(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)[C@H]1CCCC2	REAL300007309909	1	58	0.0	-85.26	416.06	11.33	-73.93
CC1=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=NN1C1=CC=[NH+]C=C1	REAL300007309924	1	48	0.0	-76.39	354.80	8.34	-68.05
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)[C@H]1CCCC2	REAL300007309927	0	57	0.0	-70.88	399.20	11.82	-59.06
O=C([O-])[C@]12CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)[C@H]1CCCC2	REAL300007309938	1	50	0.0	-81.52	370.08	9.46	-72.06
C[NH+](C)CCC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007309939	0	53	0.0	-74.23	381.32	10.83	-63.40
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007309945	1	46	0.0	-66.68	339.40	7.69	-58.99
O=C([O-])[C@]12CCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)[C@H]1CCCC2	REAL300007309946	1	55	0.0	-85.28	392.06	10.73	-74.55
O=C([O-])[C@]12CCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)[C@H]1CCCC2	REAL300007309946	1	55	0.0	-78.36	402.51	11.21	-67.15
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007309955	0	63	0.0	-68.84	445.93	13.51	-55.33
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[NH+]1CCSCC1	REAL300007309989	1	48	0.0	-70.70	337.83	8.69	-62.01
C[N@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)CC(C)(C)C	REAL300007309995	0	52	0.0	-68.80	356.96	9.46	-59.34
C[N@@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)CC(C)(C)C	REAL300007309995	1	52	0.0	-69.26	359.06	9.60	-59.66
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007309997	0	53	0.0	-72.43	388.26	11.50	-60.93
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007309997	1	53	0.0	-72.25	388.35	11.50	-60.75
COCCOCC[N@H+](C)CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007309998	0	57	0.0	-66.49	420.55	8.32	-58.17
COCCOCC[N@@H+](C)CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007309998	1	57	0.0	-65.34	420.57	8.33	-57.01
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007310001	0	51	0.0	-65.51	349.49	7.26	-58.25
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007310001	1	51	0.0	-64.87	359.21	7.47	-57.40
O=C([O-])[C@]12CCN(C(=O)CCC[NH+]3CCN(C4=CC=CC=C4)CC3)[C@H]1CCCC2	REAL300007310011	0	62	0.0	-80.98	443.23	11.24	-69.74
CCCCCC[N@H+](C)CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310013	0	55	0.0	-70.41	392.85	10.82	-59.59
CCCCCC[N@@H+](C)CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310013	1	55	0.0	-70.52	393.00	10.81	-59.71
O=C([O-])[C@]12CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)[C@H]1CCCC2	REAL300007310027	1	42	0.0	-74.56	314.57	9.90	-64.66
C[N@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)C1CCSC1	REAL300007310042	0	48	0.0	-69.78	352.92	9.46	-60.32
C[N@@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)C1CCSC1	REAL300007310042	1	48	0.0	-71.64	352.89	9.48	-62.16
CC(C)[NH+]1CCN(CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007310055	0	58	0.0	-76.53	402.25	8.08	-68.45
CC(C)N1CC[NH+](CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007310055	1	58	0.0	-74.91	403.60	8.26	-66.65
CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007310056	0	61	0.0	-77.91	421.82	8.84	-69.07
CC(C)N1CC[NH+](CCCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007310056	1	61	0.0	-76.84	425.60	9.10	-67.74
O=C([O-])[C@]12CCN(C(=O)C3CCCC4CCC[N@@H+]43)[C@H]1CCCC2	REAL300007310057	0	51	0.0	-69.67	345.53	9.32	-60.35
O=C([O-])[C@]12CCN(C(=O)C3CCCC4CCC[N@H+]43)[C@H]1CCCC2	REAL300007310057	1	51	0.0	-54.87	344.91	9.77	-45.10
C[NH+](C)CCN1C=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=N1	REAL300007310059	0	50	0.0	-78.89	366.85	7.90	-70.99
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)CC2)=C1	REAL300007310062	0	62	0.0	-78.36	443.11	11.10	-67.26
O=C([O-])[C@]12CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)[C@H]1CCCC2	REAL300007310064	0	59	0.0	-78.62	421.73	10.44	-68.18
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)[C@H]1CCCC2	REAL300007310066	0	56	0.0	-71.19	398.09	10.51	-60.68
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)[C@H]1CCCC2	REAL300007310066	1	56	0.0	-73.02	395.61	10.45	-62.57
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007310071	1	54	0.0	-71.42	385.45	11.36	-60.06
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[N@H+]1CCC2=CC=CC=C2C1	REAL300007310071	1	54	0.0	-58.48	384.55	12.00	-46.48
O=C([O-])[C@]12CCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007310091	0	57	0.0	-81.93	414.74	12.29	-69.64
O=C([O-])[C@]12CCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007310091	1	57	0.0	-79.74	416.68	12.55	-67.19
C[NH+](C)CCN1C=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=N1	REAL300007310105	0	50	0.0	-84.46	375.09	9.04	-75.42
C[NH+](C)CCN1N=CC=C1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310106	0	50	0.0	-63.05	363.36	8.26	-54.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310107	1	51	0.0	-69.57	375.66	10.34	-59.23
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC[N@@H+]1C	REAL300007310110	0	50	0.0	-71.69	345.10	9.21	-62.48
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC[N@H+]1C	REAL300007310110	1	50	0.0	-70.98	350.70	9.56	-61.42
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=NN1	REAL300007310113	1	51	0.0	-81.55	370.70	8.24	-73.31
C[N@H+]1CCCC1C1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=NN1	REAL300007310113	1	51	0.0	-86.08	374.86	8.53	-77.55
CC1C[N@H+](C)CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007310120	1	48	0.0	-65.27	339.27	8.37	-56.90
CC1C[N@@H+](C)CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007310120	1	48	0.0	-91.12	336.59	7.66	-83.46
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)[C@H]1CCCC2	REAL300007310124	0	57	0.0	-70.29	409.64	12.42	-57.87
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)[C@H]1CCCC2	REAL300007310124	1	57	0.0	-64.29	419.63	12.87	-51.42
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310129	1	51	0.0	-78.88	364.32	7.85	-71.03
O=C([O-])[C@]12CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)[C@H]1CCCC2	REAL300007310130	0	58	0.0	-77.89	419.46	9.86	-68.03
CC1CC[NH+](CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007310140	0	50	0.0	-69.22	351.80	9.54	-59.68
CC[N@@H+]1CCOC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007310153	1	48	0.0	-82.01	336.16	8.05	-73.96
CC[N@H+]1CCOC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007310153	1	48	0.0	-87.44	340.09	7.99	-79.45
O=C([O-])[C@]12CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)[C@H]1CCCC2	REAL300007310185	0	57	0.0	-75.21	396.22	11.10	-64.11
O=C([O-])[C@]12CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)[C@H]1CCCC2	REAL300007310185	1	57	0.0	-74.16	392.26	10.85	-63.31
C[N@@H+]1CCCC1CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310191	0	50	0.0	-80.00	355.84	9.65	-70.35
C[N@H+]1CCCC1CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310191	1	50	0.0	-75.93	355.64	9.65	-66.28
O=C([O-])[C@]12CCN(C(=O)C3CCC4CCCC[N@@H+]43)[C@H]1CCCC2	REAL300007310203	0	51	0.0	-64.46	354.83	9.88	-54.58
O=C([O-])[C@]12CCN(C(=O)C3CCC4CCCC[N@H+]43)[C@H]1CCCC2	REAL300007310203	1	51	0.0	-65.09	355.73	10.03	-55.06
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=C2)CC1	REAL300007310217	0	59	0.0	-72.57	416.58	9.23	-63.34
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)C=C2)CC1	REAL300007310218	0	59	0.0	-83.91	426.10	10.26	-73.65
CN1CC[NH+](CC2=CC=C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)C=C2)CC1	REAL300007310218	1	59	0.0	-91.69	421.91	9.47	-82.22
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007310219	0	60	0.0	-88.94	428.78	11.29	-77.65
CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007310227	0	53	0.0	-74.88	364.39	9.56	-65.32
O=C([O-])[C@]12CCN(C(=O)C34CC[N@H+](C3)CCC4)[C@H]1CCCC2	REAL300007310300	0	48	0.0	-76.70	323.53	7.93	-68.77
O=C([O-])[C@]12CCN(C(=O)C34CC[N@@H+](C3)CCC4)[C@H]1CCCC2	REAL300007310300	1	48	0.0	-71.15	325.47	8.55	-62.60
CC1CCC(C)[NH+]1CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310340	0	50	0.0	-65.30	350.61	9.28	-56.02
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=C1	REAL300007310341	0	50	0.0	-73.70	367.57	10.80	-62.90
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007310342	0	57	0.0	-70.10	400.38	12.15	-57.95
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007310342	1	57	0.0	-70.13	401.88	12.26	-57.87
C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007310393	0	49	0.0	-80.16	358.39	9.75	-70.41
CC[NH+]1CCN(CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007310395	0	55	0.0	-80.16	390.63	7.95	-72.21
CCN1CC[NH+](CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007310395	1	55	0.0	-74.27	386.38	7.61	-66.66
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310402	1	51	0.0	-68.56	374.63	10.25	-58.31
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[NH+]1CCCCCC1	REAL300007310433	0	53	0.0	-65.74	357.71	9.51	-56.23
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=CC=C1N2	REAL300007310467	1	55	0.0	-100.32	401.67	10.78	-89.54
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=CC=C1N2	REAL300007310467	1	55	0.0	-98.52	398.40	10.57	-87.95
CC[NH+](CC)CC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007310510	0	53	0.0	-72.75	389.86	10.89	-61.86
O=C([O-])[C@]12CCN(C(=O)CCCC[NH+]3CCCC3)[C@H]1CCCC2	REAL300007310511	0	53	0.0	-78.17	379.25	10.35	-67.82
CC1=CC=C(N2CCC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)CC2)[NH+]=C1	REAL300007310513	1	56	0.0	-77.91	402.17	10.09	-67.82
C[N@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)CC1=CC=CC=C1	REAL300007310514	1	50	0.0	-72.77	365.79	10.65	-62.12
C[N@@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)CC1=CC=CC=C1	REAL300007310514	1	50	0.0	-73.32	365.92	10.65	-62.67
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)C=C2)CC1	REAL300007310518	0	62	0.0	-81.39	436.56	10.85	-70.54
O=C([O-])[C@]12CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)[C@H]1CCCC2	REAL300007310534	1	45	0.0	-79.10	345.65	8.75	-70.35
C[NH+](C)CC1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=NO1	REAL300007310558	1	46	0.0	-77.68	342.28	8.01	-69.67
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310562	0	57	0.0	-77.16	409.47	12.13	-65.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310562	1	57	0.0	-73.20	408.73	12.17	-61.03
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310580	0	50	0.0	-62.82	337.69	9.29	-53.53
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007310580	1	50	0.0	-70.33	338.81	9.33	-61.00
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007310587	0	58	0.0	-87.60	431.22	11.54	-76.06
C[NH+]1CCC(OCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007310602	0	51	0.0	-84.02	371.98	9.46	-74.56
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)[C@H]1CCCC2	REAL300007310607	0	54	0.0	-82.71	390.81	10.70	-72.01
CCC[N@@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007310755	0	53	0.0	-60.24	375.93	10.63	-49.61
CCC[N@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007310755	1	53	0.0	-66.60	365.84	10.19	-56.41
O=C([O-])[C@]12CCN(C(=O)C[NH+]3CCC(CO)CC3)[C@H]1CCCC2	REAL300007310783	0	51	0.0	-72.16	365.51	6.44	-65.72
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007310967	0	53	0.0	-62.36	356.83	9.50	-52.86
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007310967	1	53	0.0	-66.40	360.96	9.96	-56.44
C[N@@H+]1CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C(C(F)(F)F)C1	REAL300007310968	0	47	0.0	-62.02	353.35	8.91	-53.11
C[N@H+]1CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C(C(F)(F)F)C1	REAL300007310968	1	47	0.0	-81.96	350.07	8.67	-73.29
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)N1	REAL300007310990	1	48	0.0	-68.83	360.10	8.43	-60.40
C[NH+](C)CCC1=CC=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=C1	REAL300007311387	0	53	0.0	-76.77	390.07	11.65	-65.12
C[NH+](C)CCOC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007311395	0	54	0.0	-90.22	393.64	9.95	-80.27
O=C([O-])[C@]12CCN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)[C@H]1CCCC2	REAL300007311488	0	60	0.0	-78.87	428.91	13.04	-65.83
CC1C[N@H+](CC2=CC=C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)C=C2)CCO1	REAL300007311490	1	58	0.0	-72.85	404.80	10.12	-62.73
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)C=C2)CCO1	REAL300007311490	1	58	0.0	-94.46	420.79	10.59	-83.87
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007311520	0	53	0.0	-77.64	358.35	9.49	-68.15
CC1=[NH+]C=C2C=CC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=CN21	REAL300007311524	0	45	0.0	-71.03	348.62	10.88	-60.15
CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007311574	0	56	0.0	-69.15	385.52	10.33	-58.82
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007311574	1	56	0.0	-68.31	393.97	11.01	-57.30
CC[N@@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007311575	0	50	0.0	-80.56	342.01	9.11	-71.45
CC[N@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007311575	1	50	0.0	-58.17	344.79	9.66	-48.51
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007311581	1	47	0.0	-83.56	349.22	8.83	-74.73
O=C([O-])[C@]12CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)[C@H]1CCCC2	REAL300007311589	0	49	0.0	-71.67	346.83	9.74	-61.93
O=C([O-])[C@]12CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)[C@H]1CCCC2	REAL300007311589	1	49	0.0	-67.46	345.97	10.21	-57.25
O=C([O-])[C@]12CCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)[C@H]1CCCC2	REAL300007312651	0	57	0.0	-82.20	410.23	12.17	-70.03
O=C([O-])[C@]12CCN(C(=O)C3CC[NH+](C4CC4)CC3)[C@H]1CCCC2	REAL300007313974	0	51	0.0	-80.21	357.57	9.90	-70.31
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)CN12	REAL300007314001	1	49	0.0	-70.45	357.92	9.68	-60.77
CC1=NC(C[NH+]2CCC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)CC2)=CS1	REAL300007314064	1	56	0.0	-81.38	417.64	9.93	-71.45
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)N1CC[NH+](C)CC1	REAL300007314065	1	52	0.0	-74.41	368.55	7.57	-66.84
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007314137	0	60	0.0	-83.38	443.98	11.87	-71.51
O=C([O-])[C@]12CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)[C@H]1CCCC2	REAL300007314194	0	42	0.0	-61.10	310.50	9.99	-51.11
C[NH+](C)CC1(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CCCCC1	REAL300007314222	0	56	0.0	-58.23	359.63	10.15	-48.08
C[N@H+](CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)C1CCCCC1	REAL300007314226	0	56	0.0	-65.81	390.80	11.31	-54.50
C[N@@H+](CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)C1CCCCC1	REAL300007314226	1	56	0.0	-74.85	387.33	10.69	-64.16
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)[C@H]1CCCC2	REAL300007314287	0	50	0.0	-85.69	375.00	9.29	-76.40
O=C([O-])[C@]12CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)[C@H]1CCCC2	REAL300007314302	0	58	0.0	-82.22	401.12	9.21	-73.01
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314329	1	48	0.0	-66.36	364.38	10.31	-56.05
O=C([O-])[C@]12CCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]1CCCC2	REAL300007314330	1	54	0.0	-80.96	387.20	8.68	-72.28
CC[N@H+](CC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1)C(C)C	REAL300007314331	0	59	0.0	-72.94	412.74	11.84	-61.10
CC[N@@H+](CC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1)C(C)C	REAL300007314331	1	59	0.0	-73.15	404.21	11.43	-61.72
O=C([O-])[C@]12CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007314350	0	54	0.0	-66.38	391.84	11.63	-54.75
O=C([O-])[C@]12CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007314350	1	54	0.0	-75.75	394.26	11.61	-64.14
O=C([O-])[C@]12CCN(C(=O)C3CC[NH+](C4CCSC4)CC3)[C@H]1CCCC2	REAL300007314351	0	55	0.0	-81.27	387.26	10.52	-70.75
O=C([O-])[C@]12CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)[C@H]1CCCC2	REAL300007314379	0	58	0.0	-74.43	388.87	9.15	-65.28
CCC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[NH+](CC)CC	REAL300007314383	0	52	0.0	-61.46	352.09	9.21	-52.25
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[N@H+](C)CC1=CC=CC=C1	REAL300007314385	0	53	0.0	-67.45	382.79	11.01	-56.44
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[N@@H+](C)CC1=CC=CC=C1	REAL300007314385	1	53	0.0	-67.77	382.52	11.01	-56.76
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007314393	0	60	0.0	-69.86	425.73	13.22	-56.64
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007314393	1	60	0.0	-83.96	423.40	12.89	-71.07
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=N1	REAL300007314407	0	49	0.0	-88.48	359.48	8.29	-80.19
CCC[NH+](CCC)CCCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314414	0	58	0.0	-76.12	411.49	11.32	-64.80
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314422	1	48	0.0	-57.32	358.03	10.44	-46.88
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)[C@H]1CCCC2	REAL300007314436	0	54	0.0	-70.96	382.46	11.11	-59.85
O=C([O-])[C@]12CCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)[C@H]1CCCC2	REAL300007314441	0	57	0.0	-80.53	405.47	12.02	-68.51
CCN1CCC([NH+]2CCC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)CC2)CC1	REAL300007314446	0	65	0.0	-82.91	435.06	9.38	-73.53
O=C([O-])[C@]12CCN(C(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)[C@H]1CCCC2	REAL300007314465	1	58	0.0	-86.31	426.38	11.85	-74.46
O=C([O-])[C@]12CCN(C(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)[C@H]1CCCC2	REAL300007314465	1	58	0.0	-85.26	416.06	11.33	-73.93
CC1=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=NN1C1=CC=[NH+]C=C1	REAL300007314480	1	48	0.0	-76.39	354.80	8.34	-68.05
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)[C@H]1CCCC2	REAL300007314483	0	57	0.0	-70.88	399.20	11.82	-59.06
O=C([O-])[C@]12CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)[C@H]1CCCC2	REAL300007314494	1	50	0.0	-81.52	370.08	9.46	-72.06
C[NH+](C)CCC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007314495	0	53	0.0	-74.23	381.32	10.83	-63.40
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314501	1	46	0.0	-66.68	339.40	7.69	-58.99
O=C([O-])[C@]12CCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)[C@H]1CCCC2	REAL300007314502	1	55	0.0	-85.28	392.06	10.73	-74.55
O=C([O-])[C@]12CCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)[C@H]1CCCC2	REAL300007314502	1	55	0.0	-78.36	402.51	11.21	-67.15
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007314511	0	63	0.0	-68.84	445.93	13.51	-55.33
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[NH+]1CCSCC1	REAL300007314545	1	48	0.0	-70.70	337.83	8.69	-62.01
C[N@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)CC(C)(C)C	REAL300007314551	0	52	0.0	-68.80	356.96	9.46	-59.34
C[N@@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)CC(C)(C)C	REAL300007314551	1	52	0.0	-69.26	359.06	9.60	-59.66
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314553	0	53	0.0	-72.43	388.26	11.50	-60.93
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314553	1	53	0.0	-72.25	388.35	11.50	-60.75
COCCOCC[N@H+](C)CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314554	0	57	0.0	-66.49	420.55	8.32	-58.17
COCCOCC[N@@H+](C)CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314554	1	57	0.0	-65.34	420.57	8.33	-57.01
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007314557	0	51	0.0	-65.51	349.49	7.26	-58.25
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007314557	1	51	0.0	-64.87	359.21	7.47	-57.40
O=C([O-])[C@]12CCN(C(=O)CCC[NH+]3CCN(C4=CC=CC=C4)CC3)[C@H]1CCCC2	REAL300007314567	0	62	0.0	-80.98	443.23	11.24	-69.74
CCCCCC[N@H+](C)CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314569	0	55	0.0	-70.41	392.85	10.82	-59.59
CCCCCC[N@@H+](C)CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314569	1	55	0.0	-70.52	393.00	10.81	-59.71
O=C([O-])[C@]12CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)[C@H]1CCCC2	REAL300007314583	1	42	0.0	-74.56	314.57	9.90	-64.66
C[N@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)C1CCSC1	REAL300007314598	0	48	0.0	-69.78	352.92	9.46	-60.32
C[N@@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)C1CCSC1	REAL300007314598	1	48	0.0	-71.64	352.89	9.48	-62.16
CC(C)[NH+]1CCN(CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007314611	0	58	0.0	-76.53	402.25	8.08	-68.45
CC(C)N1CC[NH+](CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007314611	1	58	0.0	-74.91	403.60	8.26	-66.65
CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007314612	0	61	0.0	-77.91	421.82	8.84	-69.07
CC(C)N1CC[NH+](CCCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007314612	1	61	0.0	-76.84	425.60	9.10	-67.74
O=C([O-])[C@]12CCN(C(=O)C3CCCC4CCC[N@@H+]43)[C@H]1CCCC2	REAL300007314613	0	51	0.0	-69.67	345.53	9.32	-60.35
O=C([O-])[C@]12CCN(C(=O)C3CCCC4CCC[N@H+]43)[C@H]1CCCC2	REAL300007314613	1	51	0.0	-54.87	344.91	9.77	-45.10
C[NH+](C)CCN1C=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=N1	REAL300007314615	0	50	0.0	-78.89	366.85	7.90	-70.99
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)CC2)=C1	REAL300007314618	0	62	0.0	-78.36	443.11	11.10	-67.26
O=C([O-])[C@]12CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)[C@H]1CCCC2	REAL300007314620	0	59	0.0	-78.62	421.73	10.44	-68.18
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)[C@H]1CCCC2	REAL300007314622	0	56	0.0	-71.19	398.09	10.51	-60.68
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)[C@H]1CCCC2	REAL300007314622	1	56	0.0	-73.02	395.61	10.45	-62.57
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007314627	1	54	0.0	-71.42	385.45	11.36	-60.06
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[N@H+]1CCC2=CC=CC=C2C1	REAL300007314627	1	54	0.0	-58.48	384.55	12.00	-46.48
O=C([O-])[C@]12CCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007314647	0	57	0.0	-81.93	414.74	12.29	-69.64
O=C([O-])[C@]12CCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007314647	1	57	0.0	-79.74	416.68	12.55	-67.19
C[NH+](C)CCN1C=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=N1	REAL300007314661	0	50	0.0	-84.46	375.09	9.04	-75.42
C[NH+](C)CCN1N=CC=C1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314662	0	50	0.0	-63.05	363.36	8.26	-54.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314663	1	51	0.0	-69.57	375.66	10.34	-59.23
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC[N@@H+]1C	REAL300007314666	0	50	0.0	-71.69	345.10	9.21	-62.48
CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC[N@H+]1C	REAL300007314666	1	50	0.0	-70.98	350.70	9.56	-61.42
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=NN1	REAL300007314669	1	51	0.0	-81.55	370.70	8.24	-73.31
C[N@H+]1CCCC1C1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=NN1	REAL300007314669	1	51	0.0	-86.08	374.86	8.53	-77.55
CC1C[N@H+](C)CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007314676	1	48	0.0	-65.27	339.27	8.37	-56.90
CC1C[N@@H+](C)CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007314676	1	48	0.0	-91.12	336.59	7.66	-83.46
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)[C@H]1CCCC2	REAL300007314680	0	57	0.0	-70.29	409.64	12.42	-57.87
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)[C@H]1CCCC2	REAL300007314680	1	57	0.0	-64.29	419.63	12.87	-51.42
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314685	1	51	0.0	-78.88	364.32	7.85	-71.03
O=C([O-])[C@]12CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)[C@H]1CCCC2	REAL300007314686	0	58	0.0	-77.89	419.46	9.86	-68.03
CC1CC[NH+](CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007314696	0	50	0.0	-69.22	351.80	9.54	-59.68
CC[N@@H+]1CCOC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007314709	1	48	0.0	-82.01	336.16	8.05	-73.96
CC[N@H+]1CCOC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007314709	1	48	0.0	-87.44	340.09	7.99	-79.45
O=C([O-])[C@]12CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)[C@H]1CCCC2	REAL300007314741	0	57	0.0	-75.21	396.22	11.10	-64.11
O=C([O-])[C@]12CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)[C@H]1CCCC2	REAL300007314741	1	57	0.0	-74.16	392.26	10.85	-63.31
C[N@@H+]1CCCC1CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314747	0	50	0.0	-80.00	355.84	9.65	-70.35
C[N@H+]1CCCC1CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314747	1	50	0.0	-75.93	355.64	9.65	-66.28
O=C([O-])[C@]12CCN(C(=O)C3CCC4CCCC[N@@H+]43)[C@H]1CCCC2	REAL300007314759	0	51	0.0	-64.46	354.83	9.88	-54.58
O=C([O-])[C@]12CCN(C(=O)C3CCC4CCCC[N@H+]43)[C@H]1CCCC2	REAL300007314759	1	51	0.0	-65.09	355.73	10.03	-55.06
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=C2)CC1	REAL300007314773	0	59	0.0	-72.57	416.58	9.23	-63.34
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)C=C2)CC1	REAL300007314774	0	59	0.0	-83.91	426.10	10.26	-73.65
CN1CC[NH+](CC2=CC=C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)C=C2)CC1	REAL300007314774	1	59	0.0	-91.69	421.91	9.47	-82.22
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007314775	0	60	0.0	-88.94	428.78	11.29	-77.65
CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007314783	0	53	0.0	-74.88	364.39	9.56	-65.32
O=C([O-])[C@]12CCN(C(=O)C34CC[N@H+](C3)CCC4)[C@H]1CCCC2	REAL300007314856	0	48	0.0	-76.70	323.53	7.93	-68.77
O=C([O-])[C@]12CCN(C(=O)C34CC[N@@H+](C3)CCC4)[C@H]1CCCC2	REAL300007314856	1	48	0.0	-71.15	325.47	8.55	-62.60
CC1CCC(C)[NH+]1CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314896	0	50	0.0	-65.30	350.61	9.28	-56.02
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=C1	REAL300007314897	0	50	0.0	-73.70	367.57	10.80	-62.90
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007314898	0	57	0.0	-70.10	400.38	12.15	-57.95
O=C([O-])[C@]12CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)[C@H]1CCCC2	REAL300007314898	1	57	0.0	-70.13	401.88	12.26	-57.87
C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007314949	0	49	0.0	-80.16	358.39	9.75	-70.41
CC[NH+]1CCN(CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007314951	0	55	0.0	-80.16	390.63	7.95	-72.21
CCN1CC[NH+](CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007314951	1	55	0.0	-74.27	386.38	7.61	-66.66
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007314958	1	51	0.0	-68.56	374.63	10.25	-58.31
CC(C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)[NH+]1CCCCCC1	REAL300007314989	0	53	0.0	-65.74	357.71	9.51	-56.23
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=CC=C1N2	REAL300007315023	1	55	0.0	-100.32	401.67	10.78	-89.54
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=CC=C1N2	REAL300007315023	1	55	0.0	-98.52	398.40	10.57	-87.95
CC[NH+](CC)CC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007315066	0	53	0.0	-72.75	389.86	10.89	-61.86
O=C([O-])[C@]12CCN(C(=O)CCCC[NH+]3CCCC3)[C@H]1CCCC2	REAL300007315067	0	53	0.0	-78.17	379.25	10.35	-67.82
CC1=CC=C(N2CCC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)CC2)[NH+]=C1	REAL300007315069	1	56	0.0	-77.91	402.17	10.09	-67.82
C[N@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)CC1=CC=CC=C1	REAL300007315070	1	50	0.0	-72.77	365.79	10.65	-62.12
C[N@@H+](CC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12)CC1=CC=CC=C1	REAL300007315070	1	50	0.0	-73.32	365.92	10.65	-62.67
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)C=C2)CC1	REAL300007315074	0	62	0.0	-81.39	436.56	10.85	-70.54
O=C([O-])[C@]12CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)[C@H]1CCCC2	REAL300007315090	1	45	0.0	-79.10	345.65	8.75	-70.35
C[NH+](C)CC1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=NO1	REAL300007315114	1	46	0.0	-77.68	342.28	8.01	-69.67
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007315118	0	57	0.0	-77.16	409.47	12.13	-65.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007315118	1	57	0.0	-73.20	408.73	12.17	-61.03
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007315136	0	50	0.0	-62.82	337.69	9.29	-53.53
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12	REAL300007315136	1	50	0.0	-70.33	338.81	9.33	-61.00
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007315143	0	58	0.0	-87.60	431.22	11.54	-76.06
C[NH+]1CCC(OCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007315158	0	51	0.0	-84.02	371.98	9.46	-74.56
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)[C@H]1CCCC2	REAL300007315163	0	54	0.0	-82.71	390.81	10.70	-72.01
CCC[N@@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007315311	0	53	0.0	-60.24	375.93	10.63	-49.61
CCC[N@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007315311	1	53	0.0	-66.60	365.84	10.19	-56.41
O=C([O-])[C@]12CCN(C(=O)C[NH+]3CCC(CO)CC3)[C@H]1CCCC2	REAL300007315339	0	51	0.0	-72.16	365.51	6.44	-65.72
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007315523	0	53	0.0	-62.36	356.83	9.50	-52.86
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007315523	1	53	0.0	-66.40	360.96	9.96	-56.44
C[N@@H+]1CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C(C(F)(F)F)C1	REAL300007315524	0	47	0.0	-62.02	353.35	8.91	-53.11
C[N@H+]1CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C(C(F)(F)F)C1	REAL300007315524	1	47	0.0	-81.96	350.07	8.67	-73.29
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)N1	REAL300007315546	1	48	0.0	-68.83	360.10	8.43	-60.40
C[NH+](C)CCC1=CC=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=C1	REAL300007315943	0	53	0.0	-76.77	390.07	11.65	-65.12
C[NH+](C)CCOC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007315951	0	54	0.0	-90.22	393.64	9.95	-80.27
O=C([O-])[C@]12CCN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)[C@H]1CCCC2	REAL300007316044	0	60	0.0	-78.87	428.91	13.04	-65.83
CC1C[N@H+](CC2=CC=C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)C=C2)CCO1	REAL300007316046	1	58	0.0	-72.85	404.80	10.12	-62.73
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)C=C2)CCO1	REAL300007316046	1	58	0.0	-94.46	420.79	10.59	-83.87
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007316076	0	53	0.0	-77.64	358.35	9.49	-68.15
CC1=[NH+]C=C2C=CC(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=CN21	REAL300007316080	0	45	0.0	-71.03	348.62	10.88	-60.15
CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007316130	0	56	0.0	-69.15	385.52	10.33	-58.82
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007316130	1	56	0.0	-68.31	393.97	11.01	-57.30
CC[N@@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007316131	0	50	0.0	-80.56	342.01	9.11	-71.45
CC[N@H+]1CCCC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007316131	1	50	0.0	-58.17	344.79	9.66	-48.51
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007316137	1	47	0.0	-83.56	349.22	8.83	-74.73
O=C([O-])[C@]12CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)[C@H]1CCCC2	REAL300007316145	0	49	0.0	-71.67	346.83	9.74	-61.93
O=C([O-])[C@]12CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)[C@H]1CCCC2	REAL300007316145	1	49	0.0	-67.46	345.97	10.21	-57.25
O=C([O-])C1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2(C1)CCOCC2	REAL300007317083	0	58	0.0	-65.10	413.09	11.05	-54.05
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CC3)CC2)C2(C1)CCOCC2	REAL300007318305	0	52	0.0	-60.19	364.47	8.87	-51.32
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])CC34CCOCC4)CN12	REAL300007318330	1	50	0.0	-54.78	359.71	8.52	-46.26
CC(C(=O)N1CC(C(=O)[O-])CC12CCOCC2)N1CC[NH+](C)CC1	REAL300007318396	1	53	0.0	-63.73	362.39	5.54	-58.19
C[N@@H+]1CCCC[C@H]1C(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318429	0	48	0.0	-55.00	331.47	7.45	-47.55
C[N@H+]1CCCC[C@H]1C(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318429	1	48	0.0	-59.46	320.27	6.84	-52.62
C[NH+]1CCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007318500	0	48	0.0	-63.54	336.89	7.54	-56.00
O=C([O-])C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C2(C1)CCOCC2	REAL300007318524	0	43	0.0	-63.09	319.04	9.09	-54.00
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CCCCC1	REAL300007318552	0	57	0.0	-62.29	363.76	8.71	-53.58
C[N@H+](CCC(=O)N1CC(C(=O)[O-])CC12CCOCC2)C1CCCCC1	REAL300007318556	0	57	0.0	-61.72	390.87	9.59	-52.13
C[N@@H+](CCC(=O)N1CC(C(=O)[O-])CC12CCOCC2)C1CCCCC1	REAL300007318556	1	57	0.0	-61.85	390.86	9.59	-52.26
C[NH+]1CCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007318613	0	48	0.0	-63.54	336.89	7.54	-56.00
O=C([O-])C1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C2(C1)CCOCC2	REAL300007318616	0	51	0.0	-59.64	377.00	8.20	-51.44
O=C([O-])C1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C2(C1)CCOCC2	REAL300007318631	0	59	0.0	-64.23	404.60	8.13	-56.10
CC1=[NH+]C=CN1CCCC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318660	1	49	0.0	-58.27	363.40	8.89	-49.38
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCOCC2)C2(C1)CCOCC2	REAL300007318661	1	55	0.0	-64.96	390.69	7.57	-57.39
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C=C1)C(C)C	REAL300007318663	0	60	0.0	-61.12	410.83	10.49	-50.63
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C=C1)C(C)C	REAL300007318663	1	60	0.0	-61.32	405.16	10.24	-51.08
O=C([O-])C1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C2(C1)CCOCC2	REAL300007318701	0	55	0.0	-62.77	394.73	10.26	-52.51
O=C([O-])C1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C2(C1)CCOCC2	REAL300007318701	1	55	0.0	-62.64	395.99	10.30	-52.34
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C2(C1)CCOCC2	REAL300007318702	0	56	0.0	-66.37	391.70	9.57	-56.80
O=C([O-])C1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C2(C1)CCOCC2	REAL300007318727	0	59	0.0	-62.45	388.55	7.63	-54.82
CCC(C(=O)N1CC(C(=O)[O-])CC12CCOCC2)[NH+](CC)CC	REAL300007318731	0	53	0.0	-53.34	352.78	7.91	-45.43
CC(C(=O)N1CC(C(=O)[O-])CC12CCOCC2)[N@H+](C)CC1=CC=CC=C1	REAL300007318733	0	54	0.0	-58.07	381.26	9.77	-48.30
CC(C(=O)N1CC(C(=O)[O-])CC12CCOCC2)[N@@H+](C)CC1=CC=CC=C1	REAL300007318733	1	54	0.0	-56.65	382.82	9.81	-46.84
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C=N1	REAL300007318753	0	50	0.0	-65.67	362.60	7.54	-58.13
CCC[NH+](CCC)CCCC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318759	0	59	0.0	-61.88	414.35	10.20	-51.68
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318769	1	49	0.0	-54.53	354.49	8.67	-45.86
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C2(C1)CCOCC2	REAL300007318784	0	55	0.0	-64.04	391.46	10.23	-53.81
O=C([O-])C1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C2(C1)CCOCC2	REAL300007318790	0	58	0.0	-65.36	408.13	10.90	-54.46
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007318795	0	48	0.0	-53.99	329.11	7.38	-46.61
C[NH+](C)CCCCC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318803	0	50	0.0	-63.15	357.78	8.13	-55.02
CC1=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C=NN1C1=CC=[NH+]C=C1	REAL300007318824	1	49	0.0	-71.31	361.70	7.39	-63.92
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C2(C1)CCOCC2	REAL300007318827	0	58	0.0	-64.46	407.49	10.86	-53.60
O=C([O-])C1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C2(C1)CCOCC2	REAL300007318839	1	51	0.0	-70.68	373.07	8.32	-62.36
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C=C1	REAL300007318840	0	54	0.0	-67.57	388.73	9.91	-57.66
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318846	1	47	0.0	-52.03	340.28	6.57	-45.46
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC12CCOCC2)C1CCC1	REAL300007318867	0	48	0.0	-57.62	338.06	7.85	-49.77
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC12CCOCC2)C1CCC1	REAL300007318867	1	48	0.0	-57.66	338.26	7.84	-49.82
CC(C(=O)N1CC(C(=O)[O-])CC12CCOCC2)[NH+]1CCSCC1	REAL300007318887	1	49	0.0	-59.77	343.57	7.51	-52.26
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC12CCOCC2)CC(C)(C)C	REAL300007318893	0	53	0.0	-58.85	360.44	8.31	-50.54
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC12CCOCC2)CC(C)(C)C	REAL300007318893	1	53	0.0	-58.52	360.89	8.35	-50.17
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318895	0	54	0.0	-64.15	391.27	10.30	-53.85
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318895	1	54	0.0	-64.25	390.98	10.30	-53.95
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318896	0	58	0.0	-62.53	420.44	6.63	-55.90
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318896	1	58	0.0	-62.82	420.59	6.60	-56.22
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007318900	0	52	0.0	-60.58	351.66	5.56	-55.02
C[N@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007318900	1	52	0.0	-59.84	361.56	5.77	-54.07
CCCCCC[N@H+](C)CC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318912	0	56	0.0	-60.89	395.57	9.61	-51.28
CCCCCC[N@@H+](C)CC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318912	1	56	0.0	-60.83	395.88	9.61	-51.22
O=C([O-])C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C2(C1)CCOCC2	REAL300007318926	1	43	0.0	-63.58	319.28	9.10	-54.48
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC12CCOCC2)C1CCSC1	REAL300007318937	0	49	0.0	-64.62	351.33	8.10	-56.52
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC12CCOCC2)C1CCSC1	REAL300007318937	1	49	0.0	-64.44	351.41	8.12	-56.32
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007318951	0	59	0.0	-59.83	407.81	7.18	-52.65
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007318952	0	62	0.0	-60.46	424.16	7.59	-52.87
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007318952	1	62	0.0	-62.90	425.76	7.75	-55.15
O=C([O-])C1CN(C(=O)C2CCCC3CCC[N@@H+]32)C2(C1)CCOCC2	REAL300007318953	0	52	0.0	-51.20	357.26	8.59	-42.61
O=C([O-])C1CN(C(=O)C2CCCC3CCC[N@H+]32)C2(C1)CCOCC2	REAL300007318953	1	52	0.0	-55.06	343.34	7.94	-47.12
C[NH+](C)CCN1C=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C=N1	REAL300007318955	0	51	0.0	-71.68	371.69	7.14	-64.54
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C2(C1)CCOCC2	REAL300007318960	0	57	0.0	-67.02	403.98	9.09	-57.93
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C2(C1)CCOCC2	REAL300007318960	1	57	0.0	-66.00	398.07	9.28	-56.72
CC(C(=O)N1CC(C(=O)[O-])CC12CCOCC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007318965	0	55	0.0	-56.31	387.51	10.23	-46.08
CC(C(=O)N1CC(C(=O)[O-])CC12CCOCC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300007318965	1	55	0.0	-56.27	388.74	10.26	-46.01
O=C([O-])C1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C2(C1)CCOCC2	REAL300007318984	0	58	0.0	-66.19	415.90	11.10	-55.09
O=C([O-])C1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C2(C1)CCOCC2	REAL300007318984	1	58	0.0	-65.34	418.28	11.18	-54.16
C[NH+](C)CCN1C=CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)=N1	REAL300007318997	0	51	0.0	-65.38	373.96	7.75	-57.63
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007318998	0	51	0.0	-62.13	366.59	7.07	-55.06
C[C@@H]1[C@H](C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC[N@@H+]1C	REAL300007319000	0	48	0.0	-63.31	326.18	6.88	-56.43
C[C@@H]1[C@H](C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC[N@H+]1C	REAL300007319000	1	48	0.0	-62.06	331.36	7.59	-54.47
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319001	1	52	0.0	-55.25	377.85	9.11	-46.14
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC[N@@H+]1C	REAL300007319004	0	51	0.0	-61.45	344.51	7.40	-54.05
CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC[N@H+]1C	REAL300007319004	1	51	0.0	-58.82	349.20	7.91	-50.91
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)=NN1	REAL300007319006	1	52	0.0	-68.02	375.13	7.29	-60.73
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)=NN1	REAL300007319006	1	52	0.0	-68.36	375.54	7.27	-61.09
CC1C[N@H+](C)CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)O1	REAL300007319012	1	49	0.0	-59.33	339.23	6.29	-53.04
CC1C[N@@H+](C)CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)O1	REAL300007319012	1	49	0.0	-59.05	346.33	6.43	-52.62
CC1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319019	1	43	0.0	-56.06	321.89	7.60	-48.46
CC(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319021	1	52	0.0	-58.11	362.43	6.51	-51.60
CC1CC[NH+](CC(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007319036	0	51	0.0	-59.10	354.66	8.35	-50.75
CC[N@@H+]1CCOC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007319047	1	49	0.0	-59.89	343.75	6.41	-53.48
CC[N@H+]1CCOC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007319047	1	49	0.0	-53.77	335.93	6.11	-47.66
O=C([O-])C1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C2(C1)CCOCC2	REAL300007319078	0	58	0.0	-60.41	394.83	9.67	-50.74
O=C([O-])C1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C2(C1)CCOCC2	REAL300007319078	1	58	0.0	-59.59	393.59	9.62	-49.97
C[N@@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319085	0	51	0.0	-59.54	360.25	8.49	-51.05
C[N@H+]1CCCC1CCC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319085	1	51	0.0	-61.40	354.75	8.01	-53.39
O=C([O-])C1CN(C(=O)C2CCC3CCCC[N@@H+]32)C2(C1)CCOCC2	REAL300007319096	0	52	0.0	-52.90	351.40	8.25	-44.65
O=C([O-])C1CN(C(=O)C2CCC3CCCC[N@H+]32)C2(C1)CCOCC2	REAL300007319096	1	52	0.0	-52.16	358.15	8.73	-43.43
CC(C)[NH+]1CCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007319116	0	54	0.0	-60.70	367.56	8.47	-52.23
O=C([O-])C1CN(C(=O)C23CC[NH+](CC2)C3)C2(C1)CCOCC2	REAL300007319182	0	46	0.0	-62.95	317.59	6.23	-56.72
O=C([O-])C1CN(C(=O)C23CC[N@H+](C2)CCC3)C2(C1)CCOCC2	REAL300007319191	0	49	0.0	-58.43	325.13	6.77	-51.66
O=C([O-])C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C2(C1)CCOCC2	REAL300007319191	1	49	0.0	-62.73	326.54	6.85	-55.88
CC1CCC(C)[NH+]1CC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319229	0	51	0.0	-55.35	347.59	7.80	-47.55
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)=C1	REAL300007319230	0	51	0.0	-67.00	366.57	9.05	-57.95
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C2(C1)CCOCC2	REAL300007319231	0	58	0.0	-61.41	414.07	11.05	-50.36
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C2(C1)CCOCC2	REAL300007319231	1	58	0.0	-62.73	409.25	10.86	-51.87
C#CC[NH+]1CCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007319285	0	50	0.0	-64.23	360.55	8.67	-55.56
CC[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007319287	0	56	0.0	-61.52	391.06	6.67	-54.85
CCN1CC[NH+](CCC(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007319287	1	56	0.0	-61.76	390.52	6.60	-55.16
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319292	1	52	0.0	-55.07	377.87	9.15	-45.92
CC[N@H+](CC(=O)N1CC(C(=O)[O-])CC12CCOCC2)C1CC1	REAL300007319298	0	48	0.0	-54.82	340.69	7.89	-46.93
CC[N@@H+](CC(=O)N1CC(C(=O)[O-])CC12CCOCC2)C1CC1	REAL300007319298	1	48	0.0	-56.93	338.54	7.81	-49.12
CC(C(=O)N1CC(C(=O)[O-])CC12CCOCC2)[NH+]1CCCCCC1	REAL300007319325	0	54	0.0	-55.35	355.05	8.20	-47.15
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CC34CCOCC4)=CC=C1N2	REAL300007319363	1	56	0.0	-72.57	402.19	9.49	-63.08
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CC34CCOCC4)=CC=C1N2	REAL300007319363	1	56	0.0	-71.70	401.71	9.48	-62.22
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)O1	REAL300007319401	0	54	0.0	-57.37	389.04	9.26	-48.11
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCCC2)C2(C1)CCOCC2	REAL300007319402	0	54	0.0	-62.01	382.14	9.19	-52.82
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])CC34CCOCC4)CC2)[NH+]=C1	REAL300007319404	1	57	0.0	-56.73	401.93	8.75	-47.98
C[N@H+](CC(=O)N1CC(C(=O)[O-])CC12CCOCC2)CC1=CC=CC=C1	REAL300007319405	1	51	0.0	-62.68	368.49	9.46	-53.22
C[N@@H+](CC(=O)N1CC(C(=O)[O-])CC12CCOCC2)CC1=CC=CC=C1	REAL300007319405	1	51	0.0	-62.60	368.85	9.46	-53.14
O=C([O-])C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C2(C1)CCOCC2	REAL300007319430	1	46	0.0	-71.07	346.67	7.08	-63.99
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)=NO1	REAL300007319452	1	47	0.0	-72.14	348.79	7.25	-64.89
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319456	0	58	0.0	-64.72	411.79	11.14	-53.58
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319456	1	58	0.0	-59.64	415.45	10.86	-48.78
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319469	0	51	0.0	-52.96	336.04	8.06	-44.90
CC(C)[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])CC12CCOCC2	REAL300007319469	1	51	0.0	-52.76	352.34	7.83	-44.93
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007319489	0	52	0.0	-64.21	372.39	7.62	-56.59
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C2(C1)CCOCC2	REAL300007319494	0	55	0.0	-59.56	394.74	9.64	-49.92
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007319642	0	54	0.0	-58.54	365.64	8.80	-49.74
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007319642	1	54	0.0	-57.68	376.04	8.89	-48.79
O=C([O-])C1CN(C(=O)C[NH+]2CCC(CO)CC2)C2(C1)CCOCC2	REAL300007319667	0	52	0.0	-60.70	365.50	5.04	-55.66
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007319848	0	54	0.0	-57.71	371.56	8.65	-49.06
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007319848	1	54	0.0	-57.19	360.76	8.66	-48.53
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C(C(F)(F)F)C1	REAL300007319849	0	48	0.0	-66.64	352.93	7.53	-59.11
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C(C(F)(F)F)C1	REAL300007319849	1	48	0.0	-70.21	342.72	7.29	-62.92
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])CC23CCOCC3)N1	REAL300007319873	1	49	0.0	-55.75	362.67	7.27	-48.48
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)=C1	REAL300007320265	0	54	0.0	-68.31	389.06	9.88	-58.43
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C=C1	REAL300007320272	0	55	0.0	-63.52	395.14	8.80	-54.72
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007320386	0	48	0.0	-61.53	341.56	7.69	-53.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])CC23CCOCC3)CC1	REAL300007320390	0	54	0.0	-61.58	359.70	8.31	-53.27
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])CC34CCOCC4)=CN21	REAL300007320394	0	46	0.0	-57.94	340.59	8.85	-49.09
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007320445	0	57	0.0	-58.84	380.26	9.39	-49.45
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007320445	1	57	0.0	-58.88	394.06	9.60	-49.28
CC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007320446	0	51	0.0	-60.65	350.11	7.96	-52.69
CC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007320446	1	51	0.0	-59.54	353.14	8.09	-51.45
C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007320450	0	48	0.0	-58.17	326.06	7.36	-50.81
C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C1	REAL300007320450	1	48	0.0	-59.18	326.59	7.49	-51.69
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)O1	REAL300007320452	1	48	0.0	-61.17	354.25	7.86	-53.31
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C2(C1)CCOCC2	REAL300007320460	0	50	0.0	-47.74	345.30	8.44	-39.30
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C2(C1)CCOCC2	REAL300007320460	1	50	0.0	-48.87	339.75	8.89	-39.98
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)CCC2	REAL300007321426	0	60	0.0	-69.24	413.73	13.20	-56.04
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1CC[NH+](C3CC3)CC1)CCC2	REAL300007322677	0	54	0.0	-62.60	363.31	10.92	-51.68
CC1=[NH+]C=C2CCC(C(=O)N3CCC[C@@]4(C(=O)[O-])CCCC[C@H]34)CN12	REAL300007322703	1	52	0.0	-59.26	358.01	10.55	-48.71
CC(C(=O)N1CCC[C@@]2(C(=O)[O-])CCCC[C@H]12)N1CC[NH+](C)CC1	REAL300007322770	1	55	0.0	-68.31	364.80	7.78	-60.53
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(C(=O)[O-])CCCC[C@H]12	REAL300007322804	0	50	0.0	-51.25	332.45	9.59	-41.66
C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(C(=O)[O-])CCCC[C@H]12	REAL300007322804	1	50	0.0	-51.40	322.93	9.17	-42.23
C[NH+]1CCC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007322876	0	50	0.0	-71.90	335.76	9.57	-62.33
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CN3C=[NH+]C=C3C=C1)CCC2	REAL300007322901	0	45	0.0	-68.86	322.23	11.26	-57.60
C[NH+](C)CC1(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)CCCCC1	REAL300007322929	0	59	0.0	-72.25	363.48	10.89	-61.36
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CC(C(=O)N1CCC[C@@]2(C(=O)[O-])CCCC[C@H]12)[NH+]1CCCCCC1	REAL300007323719	0	56	0.0	-52.82	362.42	10.49	-42.33
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CC[NH+](CC)CC1=CC=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007323796	0	56	0.0	-76.96	385.97	10.96	-66.00
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C[N@H+](CC(=O)N1CCC[C@@]2(C(=O)[O-])CCCC[C@H]12)CC1=CC=CC=C1	REAL300007323800	1	53	0.0	-60.47	370.12	11.71	-48.76
C[N@@H+](CC(=O)N1CCC[C@@]2(C(=O)[O-])CCCC[C@H]12)CC1=CC=CC=C1	REAL300007323800	1	53	0.0	-58.22	370.51	11.69	-46.53
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C[NH+](C)CC1=CC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)=NO1	REAL300007323848	1	49	0.0	-77.46	348.32	9.37	-68.09
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@@]2(C(=O)[O-])CCCC[C@H]12	REAL300007323852	0	60	0.0	-76.13	416.13	12.97	-63.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@@]2(C(=O)[O-])CCCC[C@H]12	REAL300007323852	1	60	0.0	-62.90	405.28	12.52	-50.38
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@@]2(C(=O)[O-])CCCC[C@H]12	REAL300007323867	0	53	0.0	-59.13	343.93	10.25	-48.88
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@@]2(C(=O)[O-])CCCC[C@H]12	REAL300007323867	1	53	0.0	-54.98	346.86	9.91	-45.07
C[NH+]1CCC(OCC(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007323887	0	54	0.0	-77.38	373.79	10.12	-67.26
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CCC[N@H+]1CCCC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007324042	1	56	0.0	-50.20	365.11	10.91	-39.29
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CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007324251	1	56	0.0	-58.80	368.84	10.68	-48.12
C[N@@H+]1CC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C(C(F)(F)F)C1	REAL300007324252	0	50	0.0	-72.22	331.14	8.95	-63.27
C[N@H+]1CC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C(C(F)(F)F)C1	REAL300007324252	1	50	0.0	-74.70	333.30	9.30	-65.40
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)N1	REAL300007324276	1	51	0.0	-56.92	363.16	9.47	-47.45
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)=C1	REAL300007324668	0	56	0.0	-71.46	394.35	12.13	-59.33
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C=C1	REAL300007324675	0	57	0.0	-79.19	398.82	11.04	-68.15
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)CCC2	REAL300007324765	0	63	0.0	-65.18	432.60	14.13	-51.05
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007324794	0	50	0.0	-71.23	343.06	9.84	-61.39
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)CC1	REAL300007324798	0	56	0.0	-48.26	359.86	10.46	-37.80
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CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007324855	0	59	0.0	-64.74	395.43	11.74	-53.00
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CC[N@@H+]1CCCC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007324856	0	53	0.0	-64.86	355.08	10.20	-54.66
CC[N@H+]1CCCC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007324856	1	53	0.0	-61.71	352.93	10.14	-51.57
C[N@@H+]1CCCC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007324860	0	50	0.0	-67.47	336.34	9.64	-57.83
C[N@H+]1CCCC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C1	REAL300007324860	1	50	0.0	-66.31	329.64	9.85	-56.46
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007324862	1	50	0.0	-79.10	353.65	9.77	-69.33
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CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC2CCC1C2	REAL300007325007	0	53	0.0	-46.80	371.48	9.33	-37.47
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC2CCC1C2	REAL300007325007	1	53	0.0	-46.55	368.23	9.54	-37.01
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC(F)(F)CC1	REAL300007325108	0	52	0.0	-48.57	377.59	9.45	-39.12
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC(F)(F)CC1	REAL300007325108	1	52	0.0	-50.97	374.85	9.35	-41.62
COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2NC=CC2=C1	REAL300007325249	0	51	0.0	-49.72	395.86	7.52	-42.20
COCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2NC=CC2=C1	REAL300007325249	1	51	0.0	-50.42	397.04	7.55	-42.87
COC1=CC2=NC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300007325371	0	49	0.0	-56.56	379.84	8.98	-47.58
COC1=CC2=NC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300007325371	1	49	0.0	-57.41	381.03	9.00	-48.41
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325424	0	50	0.0	-72.03	387.13	10.34	-61.69
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325424	1	50	0.0	-72.93	388.45	10.34	-62.59
CC1(C)CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325425	0	54	0.0	-78.67	419.56	10.62	-68.05
CC1(C)CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325425	1	54	0.0	-79.55	414.77	10.69	-68.86
CC1(C)CC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325426	0	50	0.0	-81.25	388.52	10.34	-70.91
CC1(C)CC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325426	1	50	0.0	-81.25	388.50	10.34	-70.91
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])S2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325427	0	47	0.0	-65.35	382.88	9.50	-55.85
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])S2)C[N@H+]1CC1=CC=CC=C1	REAL300007325427	1	47	0.0	-65.30	382.95	9.48	-55.82
CC1(C)CC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325428	0	49	0.0	-59.41	386.67	8.61	-50.80
CC1(C)CC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)C[N@H+]1CC1=CC=CC=C1	REAL300007325428	1	49	0.0	-59.36	386.79	8.59	-50.77
CC1(C)CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325429	0	56	0.0	-76.93	434.62	11.83	-65.10
CC1(C)CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325429	1	56	0.0	-76.76	434.73	11.81	-64.95
CC1(C)CC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325430	0	49	0.0	-84.18	384.60	8.58	-75.60
CC1(C)CC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325430	1	49	0.0	-84.16	384.58	8.58	-75.58
CC1(C)CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325431	0	54	0.0	-76.78	423.03	11.54	-65.24
CC1(C)CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325431	1	54	0.0	-76.79	423.00	11.53	-65.26
CC1(C)CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325432	0	52	0.0	-73.44	416.68	11.00	-62.44
CC1(C)CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325432	1	52	0.0	-59.94	416.77	11.00	-48.94
CC1(C)CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325433	0	52	0.0	-73.44	416.68	11.00	-62.44
CC1(C)CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325433	1	52	0.0	-59.94	416.77	11.00	-48.94
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])O2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325434	0	47	0.0	-59.70	370.32	8.82	-50.88
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])O2)C[N@H+]1CC1=CC=CC=C1	REAL300007325434	1	47	0.0	-60.52	375.10	8.71	-51.81
CC1(C)CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300007325435	0	56	0.0	-68.13	421.35	11.65	-56.48
CC1(C)CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300007325435	1	56	0.0	-67.60	426.08	11.55	-56.05
CC1(C)CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325436	0	53	0.0	-78.66	413.26	11.01	-67.65
CC1(C)CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325436	1	53	0.0	-78.41	413.34	10.99	-67.42
CC1(C)CC(NC(=O)C2(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325437	0	47	0.0	-51.85	361.18	8.90	-42.95
CC1(C)CC(NC(=O)C2(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300007325437	1	47	0.0	-49.29	361.27	8.88	-40.41
CC1(C)CC(NC(=O)C2(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325438	0	47	0.0	-51.85	361.18	8.90	-42.95
CC1(C)CC(NC(=O)C2(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300007325438	1	47	0.0	-49.29	361.27	8.88	-40.41
CC1(C)CC(NC(=O)C2CCCC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325439	0	56	0.0	-77.59	406.76	10.38	-67.21
CC1(C)CC(NC(=O)C2CCCC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325439	1	56	0.0	-77.86	414.16	10.55	-67.31
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325440	0	49	0.0	-73.02	384.39	8.57	-64.45
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325440	1	49	0.0	-72.74	384.47	8.55	-64.19
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325441	0	49	0.0	-62.72	385.95	8.60	-54.12
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300007325441	1	49	0.0	-62.73	386.01	8.58	-54.15
CC(C)(CC(=O)[O-])CC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300007325442	0	55	0.0	-70.00	397.71	9.77	-60.23
CC(C)(CC(=O)[O-])CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300007325442	1	55	0.0	-69.79	397.82	9.75	-60.04
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)C[N@@H+]1CC1=CC=CC=C1	REAL300007325443	0	50	0.0	-71.86	391.55	10.39	-61.47
CC1(C)CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)C[N@H+]1CC1=CC=CC=C1	REAL300007325443	1	50	0.0	-72.89	388.18	10.50	-62.39
CC1(C)CC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325444	0	48	0.0	-64.95	380.02	6.72	-58.23
CC1(C)CC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300007325444	1	48	0.0	-65.37	381.65	6.73	-58.64
CC1(C)CC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325445	0	56	0.0	-71.30	413.34	10.55	-60.75
CC1(C)CC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300007325445	1	56	0.0	-71.01	413.48	10.53	-60.48
CC1(C)CC(NC(=O)C2CCC(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325446	0	56	0.0	-75.59	402.03	10.50	-65.09
CC1(C)CC(NC(=O)C2CCC(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300007325446	1	56	0.0	-74.35	410.07	10.57	-63.78
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CC1(C)CC(NC(=O)C2=CC(C(=O)[O-])=CS2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325542	0	47	0.0	-76.51	377.14	9.42	-67.09
CC1(C)CC(NC(=O)C2=CC(C(=O)[O-])=CS2)C[N@H+]1CC1=CC=CC=C1	REAL300007325542	1	47	0.0	-76.30	377.32	9.42	-66.88
CC1(C)CC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300007325543	0	55	0.0	-56.14	407.10	8.72	-47.42
CC1(C)CC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300007325543	1	55	0.0	-64.96	412.05	8.69	-56.27
CC(C)[C@]1(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C[C@H]1C(=O)[O-]	REAL300007325544	0	56	0.0	-68.41	416.18	10.40	-58.01
CC(C)[C@]1(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C[C@H]1C(=O)[O-]	REAL300007325544	1	56	0.0	-42.58	412.60	10.55	-32.03
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300007325545	0	56	0.0	-82.86	428.56	11.45	-71.41
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300007325545	1	56	0.0	-85.85	433.23	11.64	-74.21
CC1(C)CC(NC(=O)CC2=CC(C(=O)[O-])=CS2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325546	0	50	0.0	-78.58	404.77	10.16	-68.42
CC1(C)CC(NC(=O)CC2=CC(C(=O)[O-])=CS2)C[N@H+]1CC1=CC=CC=C1	REAL300007325546	1	50	0.0	-79.94	404.88	10.14	-69.80
CC1(C)CC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300007325547	0	53	0.0	-86.18	417.80	11.06	-75.12
CC1(C)CC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C[N@H+]1CC1=CC=CC=C1	REAL300007325547	1	53	0.0	-86.02	417.88	11.03	-74.99
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300007325548	0	53	0.0	-64.58	395.31	9.87	-54.71
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300007325548	1	53	0.0	-63.34	393.76	9.84	-53.50
CC1(C)CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C[N@@H+]1CC1=CC=CC=C1	REAL300007325549	0	60	0.0	-75.00	432.09	11.25	-63.75
CC1(C)CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C[N@H+]1CC1=CC=CC=C1	REAL300007325549	1	60	0.0	-74.77	432.20	11.23	-63.54
O=C([O-])C1CCC[N@H+](CC(=O)N2CC=CCC3(CCOCC3)C2)C1	REAL300007325626	0	52	0.0	-44.51	354.81	8.17	-36.34
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC=CCC3(CCOCC3)C2)C1	REAL300007325626	1	52	0.0	-48.15	360.71	8.74	-39.41
CCOCC1=NC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300007325750	0	48	0.0	-48.01	376.99	3.18	-44.83
CCOCC1=NC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300007325750	1	48	0.0	-49.28	377.84	3.64	-45.64
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3=CC(O)=CC=C32)C1	REAL300007325874	0	48	0.0	-51.21	360.19	6.23	-44.98
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3=CC(O)=CC=C32)C1	REAL300007325874	1	48	0.0	-51.71	361.12	6.25	-45.46
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007327008	0	54	0.0	-87.27	396.54	11.68	-75.59
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CC[NH+](C2CC2)CC1	REAL300007328345	0	48	0.0	-82.45	345.20	9.36	-73.09
CC1=[NH+]C=C2CCC(C(=O)N3CCCC34CC(C(=O)[O-])C4)CN12	REAL300007328366	1	46	0.0	-73.16	343.58	9.19	-63.97
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC34CC(C(=O)[O-])C4)CC2)=CS1	REAL300007328429	1	53	0.0	-83.07	405.63	9.61	-73.46
CC(C(=O)N1CCCC12CC(C(=O)[O-])C2)N1CC[NH+](C)CC1	REAL300007328430	1	49	0.0	-77.91	350.38	6.43	-71.48
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC23CC(C(=O)[O-])C3)C=C1	REAL300007328500	0	57	0.0	-86.55	431.55	11.29	-75.26
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)=C1	REAL300007328505	0	57	0.0	-84.89	427.83	13.13	-71.76
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)=C1	REAL300007328505	1	57	0.0	-85.52	427.72	13.13	-72.39
C[NH+](C)CC1(C(=O)N2CCCC23CC(C(=O)[O-])C3)CCCCC1	REAL300007328578	0	53	0.0	-84.68	352.11	9.93	-74.75
C[N@H+](CCC(=O)N1CCCC12CC(C(=O)[O-])C2)C1CCCCC1	REAL300007328581	0	53	0.0	-80.98	375.99	10.08	-70.90
C[N@@H+](CCC(=O)N1CCCC12CC(C(=O)[O-])C2)C1CCCCC1	REAL300007328581	1	53	0.0	-80.84	375.99	10.12	-70.72
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007328643	0	47	0.0	-91.70	361.61	8.67	-83.03
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007328660	0	55	0.0	-88.28	388.59	8.61	-79.67
CC1=[NH+]C=CN1CCCC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007328687	1	45	0.0	-76.56	348.55	9.42	-67.14
O=C([O-])C1CC2(C1)CCCN2C(=O)CCCC[NH+]1CCOCC1	REAL300007328688	1	51	0.0	-84.14	375.86	8.11	-76.03
CC[N@H+](CC1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)C=C1)C(C)C	REAL300007328689	0	56	0.0	-88.10	396.54	10.98	-77.12
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)C=C1)C(C)C	REAL300007328689	1	56	0.0	-88.59	393.19	11.14	-77.45
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007328707	0	51	0.0	-80.57	379.38	10.79	-69.78
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007328707	1	51	0.0	-80.14	381.50	10.90	-69.24
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007328708	0	52	0.0	-87.31	377.33	9.99	-77.32
O=C([O-])C1CC2(C1)CCCN2C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007328737	0	55	0.0	-80.57	377.17	8.64	-71.93
CC(C(=O)N1CCCC12CC(C(=O)[O-])C2)[N@H+](C)CC1=CC=CC=C1	REAL300007328740	0	50	0.0	-74.42	373.62	10.72	-63.70
CC(C(=O)N1CCCC12CC(C(=O)[O-])C2)[N@@H+](C)CC1=CC=CC=C1	REAL300007328740	1	50	0.0	-77.51	369.59	10.36	-67.15
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300007328748	0	57	0.0	-72.24	410.24	12.39	-59.85
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300007328748	1	57	0.0	-68.23	413.27	12.72	-55.51
C[NH+](C)CC1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)C=N1	REAL300007328764	0	46	0.0	-88.85	349.26	7.91	-80.94
CCC[NH+](CCC)CCCC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007328771	0	55	0.0	-79.37	400.07	10.70	-68.67
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007328778	1	45	0.0	-71.00	343.25	9.21	-61.79
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007328791	0	51	0.0	-91.50	376.62	10.71	-80.79
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007328796	0	54	0.0	-82.39	396.63	11.71	-70.68
CCC(C(=O)N1CCCC12CC(C(=O)[O-])C2)[N@@H+]1CCOC(CC)C1	REAL300007328799	1	54	0.0	-74.89	382.89	8.67	-66.22
CCC(C(=O)N1CCCC12CC(C(=O)[O-])C2)[N@H+]1CCOC(CC)C1	REAL300007328799	1	54	0.0	-74.31	374.69	8.46	-65.85
CCN1CCC([NH+]2CCC(C(=O)N3CCCC34CC(C(=O)[O-])C4)CC2)CC1	REAL300007328802	0	62	0.0	-83.07	428.42	9.09	-73.98
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC34CC(C(=O)[O-])C4)C=C2)CC(C)O1	REAL300007328809	1	58	0.0	-96.94	428.33	10.71	-86.23
O=C([O-])C1CC2(C1)CCCN2C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007328820	1	55	0.0	-92.34	405.04	10.86	-81.48
O=C([O-])C1CC2(C1)CCCN2C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007328820	1	55	0.0	-88.69	414.78	11.25	-77.44
CC1=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)C=NN1C1=CC=[NH+]C=C1	REAL300007328835	1	45	0.0	-88.47	350.80	8.27	-80.20
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007328838	0	54	0.0	-91.79	393.36	11.42	-80.37
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007328849	1	47	0.0	-84.92	360.89	9.06	-75.86
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)C=C1	REAL300007328850	0	50	0.0	-97.48	375.94	10.67	-86.81
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007328855	1	43	0.0	-71.40	329.30	7.34	-64.06
CC(C(=O)N1CCCC12CC(C(=O)[O-])C2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007328866	0	60	0.0	-72.02	437.21	13.20	-58.82
CC(C(=O)N1CCCC12CC(C(=O)[O-])C2)[NH+]1CCSCC1	REAL300007328895	1	45	0.0	-76.22	328.04	8.14	-68.08
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007328902	0	50	0.0	-78.75	376.72	10.91	-67.84
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007328902	1	50	0.0	-78.49	376.64	10.91	-67.58
COCCOCC[N@H+](C)CCC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007328903	0	54	0.0	-79.50	405.57	7.15	-72.35
COCCOCC[N@@H+](C)CCC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007328903	1	54	0.0	-81.24	405.76	7.15	-74.09
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC23CC(C(=O)[O-])C3)C1	REAL300007328906	0	48	0.0	-78.29	344.93	6.80	-71.49
C[N@H+]1CCCC(O)(CC(=O)N2CCCC23CC(C(=O)[O-])C3)C1	REAL300007328906	1	48	0.0	-79.34	335.32	6.61	-72.73
O=C([O-])C1CC2(C1)CCCN2C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007328913	0	59	0.0	-84.83	431.88	10.66	-74.17
CCCCCC[N@H+](C)CC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007328915	0	52	0.0	-77.33	381.31	10.23	-67.10
CCCCCC[N@@H+](C)CC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007328915	1	52	0.0	-77.03	381.23	10.23	-66.80
C[N@H+](CC(=O)N1CCCC12CC(C(=O)[O-])C2)C1CCSC1	REAL300007328940	0	45	0.0	-76.13	339.60	9.00	-67.13
C[N@@H+](CC(=O)N1CCCC12CC(C(=O)[O-])C2)C1CCSC1	REAL300007328940	1	45	0.0	-74.63	339.38	9.01	-65.62
CC(C)[NH+]1CCN(CCC(=O)N2CCCC23CC(C(=O)[O-])C3)CC1	REAL300007328953	0	55	0.0	-81.38	395.46	7.97	-73.41
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC23CC(C(=O)[O-])C3)CC1	REAL300007328954	0	58	0.0	-77.38	409.33	8.11	-69.27
CC(C)N1CC[NH+](CCCC(=O)N2CCCC23CC(C(=O)[O-])C3)CC1	REAL300007328954	1	58	0.0	-80.50	410.76	8.27	-72.23
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCCC2CCC[N@@H+]21	REAL300007328955	0	48	0.0	-71.12	332.70	8.90	-62.22
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCCC2CCC[N@H+]21	REAL300007328955	1	48	0.0	-68.83	338.08	9.05	-59.78
C[NH+](C)CCN1C=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)C=N1	REAL300007328957	0	47	0.0	-88.49	359.35	7.89	-80.60
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC34CC(C(=O)[O-])C4)CC2)=C1	REAL300007328960	0	59	0.0	-84.19	431.28	10.48	-73.71
O=C([O-])C1CC2(C1)CCCN2C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007328962	0	56	0.0	-84.09	410.39	9.84	-74.25
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300007328964	0	53	0.0	-80.81	389.56	9.66	-71.15
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300007328964	1	53	0.0	-71.15	385.55	10.00	-61.15
CC(C(=O)N1CCCC12CC(C(=O)[O-])C2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007328969	0	51	0.0	-75.41	369.01	10.72	-64.69
CC(C(=O)N1CCCC12CC(C(=O)[O-])C2)[N@H+]1CCC2=CC=CC=C2C1	REAL300007328969	1	51	0.0	-77.91	374.49	10.85	-67.06
CC(C(=O)N1CCCC12CC(C(=O)[O-])C2)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300007328971	1	56	0.0	-79.75	411.19	9.66	-70.09
O=C([O-])C1CC2(C1)CCCN2C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007328992	0	54	0.0	-83.76	403.04	11.95	-71.81
O=C([O-])C1CC2(C1)CCCN2C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007328992	1	54	0.0	-83.53	402.85	11.94	-71.59
C[NH+](C)CCN1C=CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)=N1	REAL300007329005	0	47	0.0	-101.04	362.13	8.51	-92.53
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007329006	0	47	0.0	-63.03	354.77	7.93	-55.10
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007329007	1	48	0.0	-73.76	363.53	9.72	-64.04
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)=NN1	REAL300007329011	1	48	0.0	-87.40	360.03	7.78	-79.62
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)=NN1	REAL300007329011	1	48	0.0	-89.39	363.64	8.04	-81.35
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300007329020	0	54	0.0	-78.54	403.28	11.75	-66.79
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300007329020	1	54	0.0	-74.35	394.85	11.66	-62.69
CC(C[NH+]1CCOCC1)C(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007329024	1	48	0.0	-80.03	344.14	6.89	-73.14
O=C([O-])C1CC2(C1)CCCN2C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300007329025	0	55	0.0	-80.68	411.01	9.54	-71.14
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007329068	0	54	0.0	-77.25	381.64	10.34	-66.91
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007329068	1	54	0.0	-80.08	382.62	10.45	-69.63
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC2CCCC[N@@H+]21	REAL300007329084	0	48	0.0	-72.05	339.72	9.20	-62.85
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC2CCCC[N@H+]21	REAL300007329084	1	48	0.0	-73.29	338.02	8.92	-64.37
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC34CC(C(=O)[O-])C4)=C2)CC1	REAL300007329098	0	56	0.0	-80.31	413.75	9.28	-71.03
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC34CC(C(=O)[O-])C4)C=C2)CC1	REAL300007329099	0	56	0.0	-89.21	410.48	8.99	-80.22
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC34CC(C(=O)[O-])C4)C=C2)CC1	REAL300007329099	1	56	0.0	-92.75	409.90	8.86	-83.89
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)C=C1	REAL300007329100	0	57	0.0	-94.15	414.33	10.68	-83.47
CC(C)[NH+]1CCC(C(=O)N2CCCC23CC(C(=O)[O-])C3)CC1	REAL300007329106	0	50	0.0	-82.09	356.40	9.21	-72.88
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007329193	0	58	0.0	-96.93	426.69	8.99	-87.94
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)=C1	REAL300007329197	0	47	0.0	-83.42	354.70	9.84	-73.58
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007329198	0	54	0.0	-78.02	398.67	11.55	-66.47
O=C([O-])C1CC2(C1)CCCN2C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007329198	1	54	0.0	-76.72	401.56	11.83	-64.89
C#CC[NH+]1CCC(C(=O)N2CCCC23CC(C(=O)[O-])C3)CC1	REAL300007329244	0	46	0.0	-85.50	346.76	9.17	-76.33
CC[NH+]1CCN(CCC(=O)N2CCCC23CC(C(=O)[O-])C3)CC1	REAL300007329247	0	52	0.0	-82.92	378.72	7.45	-75.47
CCN1CC[NH+](CCC(=O)N2CCCC23CC(C(=O)[O-])C3)CC1	REAL300007329247	1	52	0.0	-80.01	376.19	7.15	-72.86
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007329254	1	48	0.0	-72.85	362.99	9.66	-63.19
CC(C(=O)N1CCCC12CC(C(=O)[O-])C2)[NH+]1CCCCCC1	REAL300007329283	0	50	0.0	-71.42	344.66	8.79	-62.63
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC34CC(C(=O)[O-])C4)=CC=C1N2	REAL300007329315	1	52	0.0	-87.11	387.01	9.95	-77.16
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC34CC(C(=O)[O-])C4)=CC=C1N2	REAL300007329315	1	52	0.0	-89.30	389.51	10.27	-79.03
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)O1	REAL300007329359	0	50	0.0	-90.50	377.30	10.01	-80.49
O=C([O-])C1CC2(C1)CCCN2C(=O)CCCC[NH+]1CCCC1	REAL300007329360	0	50	0.0	-80.95	368.91	9.83	-71.12
CC1=CC=C(N2CCC(C(=O)N3CCCC34CC(C(=O)[O-])C4)CC2)[NH+]=C1	REAL300007329362	1	53	0.0	-81.77	386.82	9.26	-72.51
C[N@H+](CC(=O)N1CCCC12CC(C(=O)[O-])C2)CC1=CC=CC=C1	REAL300007329363	1	47	0.0	-80.65	354.16	10.06	-70.59
C[N@@H+](CC(=O)N1CCCC12CC(C(=O)[O-])C2)CC1=CC=CC=C1	REAL300007329363	1	47	0.0	-76.61	356.86	10.37	-66.24
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC34CC(C(=O)[O-])C4)C=C2)CC1	REAL300007329367	0	59	0.0	-92.33	419.88	9.93	-82.40
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007329378	1	42	0.0	-85.82	331.36	7.54	-78.28
C[NH+](C)CC1=CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)=NO1	REAL300007329400	1	43	0.0	-86.77	336.62	8.01	-78.76
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007329406	0	54	0.0	-79.77	398.49	11.41	-68.36
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC12CC(C(=O)[O-])C2	REAL300007329406	1	54	0.0	-88.56	402.11	11.65	-76.91
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC23CC(C(=O)[O-])C3)C=C1	REAL300007329429	0	55	0.0	-91.47	418.65	10.94	-80.53
C[NH+]1CCC(OCC(=O)N2CCCC23CC(C(=O)[O-])C3)CC1	REAL300007329441	0	48	0.0	-87.94	357.53	8.46	-79.48
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007329447	0	51	0.0	-91.91	382.52	10.40	-81.51
CCC[N@@H+]1CCCC(C(=O)N2CCCC23CC(C(=O)[O-])C3)C1	REAL300007329584	0	50	0.0	-64.69	354.20	9.83	-54.86
CCC[N@H+]1CCCC(C(=O)N2CCCC23CC(C(=O)[O-])C3)C1	REAL300007329584	1	50	0.0	-78.56	364.35	9.68	-68.88
O=C([O-])C1CC2(C1)CCCN2C(=O)C[NH+]1CCC(CO)CC1	REAL300007329613	0	48	0.0	-77.15	351.00	5.64	-71.51
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC23CC(C(=O)[O-])C3)C1	REAL300007329783	0	50	0.0	-66.37	348.81	9.45	-56.92
CC(C)[N@H+]1CCCC(C(=O)N2CCCC23CC(C(=O)[O-])C3)C1	REAL300007329783	1	50	0.0	-76.95	348.88	9.27	-67.68
C[N@@H+]1CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300007329784	0	44	0.0	-87.99	341.72	8.37	-79.62
C[N@H+]1CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300007329784	1	44	0.0	-82.86	325.28	7.77	-75.09
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC23CC(C(=O)[O-])C3)N1	REAL300007329808	1	45	0.0	-72.05	350.34	8.09	-63.96
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)=C1	REAL300007330182	0	50	0.0	-85.69	377.19	10.69	-75.00
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)C=C1	REAL300007330188	0	51	0.0	-95.71	383.29	9.61	-86.10
O=C([O-])C1CC2(C1)CCCN2C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007330271	0	57	0.0	-80.39	417.25	12.44	-67.95
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC34CC(C(=O)[O-])C4)C=C2)CCO1	REAL300007330273	1	55	0.0	-97.43	408.86	10.05	-87.38
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC34CC(C(=O)[O-])C4)C=C2)CCO1	REAL300007330273	1	55	0.0	-97.64	407.92	10.03	-87.61
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC23CC(C(=O)[O-])C3)CC1	REAL300007330299	0	50	0.0	-73.85	345.11	8.86	-64.99
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC34CC(C(=O)[O-])C4)=CN21	REAL300007330304	0	42	0.0	-76.97	325.65	9.34	-67.63
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC23CC(C(=O)[O-])C3)C1	REAL300007330352	0	53	0.0	-70.27	365.87	10.09	-60.18
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC23CC(C(=O)[O-])C3)C1	REAL300007330352	1	53	0.0	-75.26	377.16	10.27	-64.99
C[NH+](C)CC1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)O1	REAL300007330357	1	44	0.0	-93.78	342.00	8.62	-85.16
O=C([O-])C1CC2(C1)CCCN2C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300007330364	0	46	0.0	-78.79	336.97	8.94	-69.85
O=C([O-])C1CC2(C1)CCCN2C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300007330364	1	46	0.0	-78.59	338.32	9.10	-69.49
O=C([O-])C[C@@H]1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)[C@H]2COC[C@@H]2O1	REAL300007331286	0	56	0.0	-73.46	416.62	9.26	-64.20
O=C([O-])C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)[C@H]2COC[C@@H]2O1	REAL300007332487	0	50	0.0	-70.87	360.73	6.60	-64.27
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](CC(=O)[O-])O[C@H]4COC[C@@H]43)CN12	REAL300007332512	1	48	0.0	-64.01	364.35	6.67	-57.34
CC(C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)N1CC[NH+](C)CC1	REAL300007332578	1	51	0.0	-68.99	371.89	4.07	-64.92
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007332610	0	46	0.0	-63.02	336.40	5.64	-57.38
C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007332610	1	46	0.0	-65.75	324.57	5.19	-60.56
C[NH+]1CCC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007332679	0	46	0.0	-72.03	340.06	5.60	-66.43
O=C([O-])C[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)[C@H]2COC[C@@H]2O1	REAL300007332703	0	41	0.0	-70.11	324.06	7.23	-62.88
C[NH+](C)CC1(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CCCCC1	REAL300007332734	0	55	0.0	-72.36	371.23	7.13	-65.23
C[N@H+](CCC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)C1CCCCC1	REAL300007332738	0	55	0.0	-71.04	393.90	7.73	-63.31
C[N@@H+](CCC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)C1CCCCC1	REAL300007332738	1	55	0.0	-71.44	393.91	7.75	-63.69
C[NH+]1CCC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007332794	0	46	0.0	-72.03	340.06	5.60	-66.43
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)[C@H]2COC[C@@H]2O1	REAL300007332797	0	49	0.0	-72.03	383.66	6.41	-65.62
O=C([O-])C[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@H]2COC[C@@H]2O1	REAL300007332809	0	57	0.0	-68.82	397.55	6.01	-62.81
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007332838	1	47	0.0	-67.93	366.51	7.05	-60.88
O=C([O-])C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)[C@H]2COC[C@@H]2O1	REAL300007332839	1	53	0.0	-73.86	393.71	5.61	-68.25
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C=C1)C(C)C	REAL300007332841	0	58	0.0	-71.78	412.02	8.52	-63.26
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C=C1)C(C)C	REAL300007332841	1	58	0.0	-72.77	417.45	8.80	-63.97
O=C([O-])C[C@@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)[C@H]2COC[C@@H]2O1	REAL300007332879	0	53	0.0	-70.95	396.61	8.34	-62.61
O=C([O-])C[C@@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)[C@H]2COC[C@@H]2O1	REAL300007332879	1	53	0.0	-71.91	397.61	8.38	-63.53
O=C([O-])C[C@@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)[C@H]2COC[C@@H]2O1	REAL300007332880	0	54	0.0	-75.38	399.42	7.82	-67.56
O=C([O-])C[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H]2COC[C@@H]2O1	REAL300007332904	0	57	0.0	-70.04	392.79	5.94	-64.10
CCC(C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)[NH+](CC)CC	REAL300007332908	0	51	0.0	-62.16	356.38	6.17	-55.99
CC(C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)[N@H+](C)CC1=CC=CC=C1	REAL300007332910	0	52	0.0	-67.20	388.16	8.08	-59.12
CC(C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)[N@@H+](C)CC1=CC=CC=C1	REAL300007332910	1	52	0.0	-64.98	388.09	8.00	-56.98
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C=N1	REAL300007332930	0	48	0.0	-74.76	366.72	5.53	-69.23
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007332936	0	57	0.0	-70.72	414.06	8.00	-62.72
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007332946	1	47	0.0	-63.89	361.69	6.83	-57.06
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)[C@H]2COC[C@@H]2O1	REAL300007332961	0	53	0.0	-73.29	397.57	8.35	-64.94
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)[C@H]2COC[C@@H]2O1	REAL300007332966	0	56	0.0	-69.73	414.75	9.11	-60.62
C[NH+](C)CC1(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007332971	0	46	0.0	-59.16	342.39	5.90	-53.26
C[NH+](C)CCCCC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007332979	0	48	0.0	-71.83	361.33	6.21	-65.62
CC1=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C=NN1C1=CC=[NH+]C=C1	REAL300007333000	1	47	0.0	-76.37	371.84	5.69	-70.68
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)[C@H]2COC[C@@H]2O1	REAL300007333003	0	56	0.0	-76.16	413.05	9.10	-67.06
O=C([O-])C[C@@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)[C@H]2COC[C@@H]2O1	REAL300007333015	1	49	0.0	-77.35	376.69	6.50	-70.85
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C=C1	REAL300007333016	0	52	0.0	-75.36	396.14	8.12	-67.24
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333022	1	45	0.0	-61.55	346.56	4.72	-56.83
O=C([O-])C[C@@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)[C@H]2COC[C@@H]2O1	REAL300007333023	1	54	0.0	-77.86	405.03	7.81	-70.05
O=C([O-])C[C@@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)[C@H]2COC[C@@H]2O1	REAL300007333023	1	54	0.0	-69.36	406.21	7.87	-61.49
CCC[N@H+](C)CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333030	0	45	0.0	-68.86	334.76	5.46	-63.40
CCC[N@@H+](C)CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333030	1	45	0.0	-68.71	334.76	5.46	-63.25
C[N@H+](CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)C1CCC1	REAL300007333044	0	46	0.0	-66.89	341.51	5.97	-60.92
C[N@@H+](CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)C1CCC1	REAL300007333044	1	46	0.0	-66.64	341.62	5.97	-60.67
CC(C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)[NH+]1CCSCC1	REAL300007333065	1	47	0.0	-68.38	350.19	5.88	-62.50
C[N@H+](CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)CC(C)(C)C	REAL300007333071	0	51	0.0	-68.64	363.95	6.39	-62.25
C[N@@H+](CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)CC(C)(C)C	REAL300007333071	1	51	0.0	-67.50	365.54	6.57	-60.93
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333073	0	52	0.0	-73.06	394.52	8.41	-64.65
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333073	1	52	0.0	-72.78	394.55	8.44	-64.34
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333074	0	56	0.0	-70.92	424.14	4.69	-66.23
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333074	1	56	0.0	-72.58	424.14	4.69	-67.89
CC[C@@H](C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)[NH+](C)C	REAL300007333077	0	45	0.0	-64.27	321.57	4.82	-59.45
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C1	REAL300007333079	0	50	0.0	-69.07	363.43	4.40	-64.67
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C1	REAL300007333079	1	50	0.0	-69.57	353.50	4.18	-65.39
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333091	0	54	0.0	-70.07	399.26	7.80	-62.27
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333091	1	54	0.0	-69.75	399.26	7.76	-61.99
O=C([O-])C[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)[C@H]2COC[C@@H]2O1	REAL300007333105	1	41	0.0	-72.28	327.07	7.27	-65.01
C[N@H+](CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)C1CCSC1	REAL300007333116	0	47	0.0	-73.21	356.67	6.22	-66.99
C[N@@H+](CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)C1CCSC1	REAL300007333116	1	47	0.0	-72.81	354.80	6.30	-66.51
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007333130	0	57	0.0	-69.70	407.30	5.09	-64.61
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007333130	1	57	0.0	-71.11	411.14	5.26	-65.85
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007333131	0	60	0.0	-68.84	428.39	5.88	-62.96
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007333131	1	60	0.0	-71.71	432.13	6.02	-65.69
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)[C@H]2COC[C@@H]2O1	REAL300007333132	0	50	0.0	-63.44	349.32	6.13	-57.31
O=C([O-])C[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)[C@H]2COC[C@@H]2O1	REAL300007333132	1	50	0.0	-59.58	360.89	6.81	-52.77
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C=N1	REAL300007333134	0	49	0.0	-78.10	375.98	5.22	-72.88
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)[C@H]2COC[C@@H]2O1	REAL300007333139	0	55	0.0	-72.10	410.88	7.33	-64.77
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)[C@H]2COC[C@@H]2O1	REAL300007333139	1	55	0.0	-75.17	411.61	7.36	-67.81
CC(C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007333144	1	53	0.0	-66.59	392.50	8.47	-58.12
CC(C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)[N@H+]1CCC2=CC=CC=C2C1	REAL300007333144	1	53	0.0	-67.33	386.47	8.20	-59.13
O=C([O-])C[C@@H]1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)[C@H]2COC[C@@H]2O1	REAL300007333162	0	56	0.0	-74.45	420.31	9.34	-65.11
O=C([O-])C[C@@H]1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)[C@H]2COC[C@@H]2O1	REAL300007333162	1	56	0.0	-74.61	421.35	9.38	-65.23
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)=N1	REAL300007333175	0	49	0.0	-78.21	376.93	5.82	-72.39
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333176	0	49	0.0	-68.52	372.70	5.20	-63.32
C[C@@H]1[C@H](C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC[N@@H+]1C	REAL300007333178	0	46	0.0	-69.91	331.45	5.08	-64.83
C[C@@H]1[C@H](C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC[N@H+]1C	REAL300007333178	1	46	0.0	-67.43	335.71	5.55	-61.88
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333179	1	50	0.0	-63.55	381.96	7.39	-56.16
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC[N@@H+]1C	REAL300007333182	0	49	0.0	-68.77	351.47	5.56	-63.21
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC[N@H+]1C	REAL300007333182	1	49	0.0	-66.15	351.99	6.10	-60.05
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)=NN1	REAL300007333184	1	50	0.0	-76.03	378.68	5.49	-70.54
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)=NN1	REAL300007333184	1	50	0.0	-75.97	378.81	5.47	-70.50
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)O1	REAL300007333189	1	47	0.0	-77.99	342.79	4.51	-73.48
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)O1	REAL300007333189	1	47	0.0	-72.87	343.22	4.50	-68.37
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333196	1	41	0.0	-65.70	325.34	5.71	-59.99
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333198	1	50	0.0	-70.00	367.86	4.72	-65.28
CC1CC[NH+](CC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007333213	0	49	0.0	-68.69	358.52	6.59	-62.10
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C1	REAL300007333224	1	47	0.0	-75.11	346.64	4.83	-70.28
CC[N@H+]1CCOC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C1	REAL300007333224	1	47	0.0	-71.41	339.73	4.64	-66.77
O=C([O-])C[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)[C@H]2COC[C@@H]2O1	REAL300007333254	0	56	0.0	-68.76	401.32	7.86	-60.90
O=C([O-])C[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)[C@H]2COC[C@@H]2O1	REAL300007333254	1	56	0.0	-66.91	397.12	7.82	-59.09
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333260	0	49	0.0	-69.95	357.48	6.08	-63.87
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333260	1	49	0.0	-72.28	359.16	6.51	-65.77
O=C([O-])C[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)[C@H]2COC[C@@H]2O1	REAL300007333271	0	50	0.0	-62.12	354.85	6.45	-55.67
O=C([O-])C[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)[C@H]2COC[C@@H]2O1	REAL300007333271	1	50	0.0	-64.31	355.21	6.55	-57.76
CC[NH+](CC)CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333290	0	45	0.0	-66.78	327.17	5.17	-61.61
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007333292	0	52	0.0	-68.32	370.77	6.64	-61.68
O=C([O-])C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)[C@H]2COC[C@@H]2O1	REAL300007333358	0	44	0.0	-70.20	319.62	4.26	-65.94
CCC(C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)[NH+](C)C	REAL300007333361	0	45	0.0	-66.22	320.84	4.86	-61.36
O=C([O-])C[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)[C@H]2COC[C@@H]2O1	REAL300007333368	0	47	0.0	-72.11	326.97	4.75	-67.36
O=C([O-])C[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)[C@H]2COC[C@@H]2O1	REAL300007333368	1	47	0.0	-69.83	329.27	5.01	-64.82
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333407	0	49	0.0	-66.27	343.37	5.72	-60.55
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)=C1	REAL300007333408	0	49	0.0	-71.96	373.19	7.25	-64.71
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)[C@H]2COC[C@@H]2O1	REAL300007333409	0	56	0.0	-67.11	407.37	9.20	-57.91
O=C([O-])C[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)[C@H]2COC[C@@H]2O1	REAL300007333409	1	56	0.0	-70.91	416.29	9.09	-61.82
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007333463	0	48	0.0	-71.99	365.28	6.89	-65.10
CC[NH+]1CCN(CCC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007333465	0	54	0.0	-70.92	394.01	4.77	-66.15
CCN1CC[NH+](CCC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007333465	1	54	0.0	-71.43	394.43	4.82	-66.61
CC(C)[N@H+](C)CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333466	0	45	0.0	-66.20	330.47	5.23	-60.97
CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333466	1	45	0.0	-66.01	330.36	5.30	-60.71
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333471	1	50	0.0	-63.16	380.88	7.27	-55.89
CC[N@H+](CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)C1CC1	REAL300007333478	0	46	0.0	-65.25	345.09	6.12	-59.13
CC[N@@H+](CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)C1CC1	REAL300007333478	1	46	0.0	-64.55	340.19	5.86	-58.69
CC(C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)[NH+]1CCCCCC1	REAL300007333505	0	52	0.0	-64.63	363.51	6.46	-58.17
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](CC(=O)[O-])O[C@H]4COC[C@@H]43)=CC=C1N2	REAL300007333542	1	54	0.0	-76.91	407.25	7.64	-69.27
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](CC(=O)[O-])O[C@H]4COC[C@@H]43)=CC=C1N2	REAL300007333542	1	54	0.0	-76.80	406.52	7.66	-69.14
CC(C)(C)[NH2+]CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333578	0	45	0.0	-67.47	334.63	3.72	-63.75
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)O1	REAL300007333580	0	52	0.0	-69.58	392.15	7.21	-62.37
O=C([O-])C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)[C@H]2COC[C@@H]2O1	REAL300007333581	0	52	0.0	-70.52	386.28	7.32	-63.20
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](CC(=O)[O-])O[C@H]4COC[C@@H]43)CC2)[NH+]=C1	REAL300007333583	1	55	0.0	-66.76	409.02	6.84	-59.92
C[N@H+](CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)CC1=CC=CC=C1	REAL300007333584	1	49	0.0	-72.37	372.07	7.60	-64.77
C[N@@H+](CC(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21)CC1=CC=CC=C1	REAL300007333584	1	49	0.0	-72.58	372.08	7.56	-65.02
O=C([O-])C[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)[C@H]2COC[C@@H]2O1	REAL300007333609	1	44	0.0	-77.01	351.04	5.17	-71.84
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)=NO1	REAL300007333631	1	45	0.0	-78.73	350.76	5.41	-73.32
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333635	0	56	0.0	-75.91	418.04	8.88	-67.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333635	1	56	0.0	-72.29	416.19	9.25	-63.04
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333648	0	49	0.0	-63.02	351.17	5.93	-57.09
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](CC(=O)[O-])O[C@H]2COC[C@@H]21	REAL300007333648	1	49	0.0	-63.69	350.98	6.03	-57.66
C[NH+]1CCC(OCC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)CC1	REAL300007333666	0	50	0.0	-74.82	375.89	6.08	-68.74
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)[C@H]2COC[C@@H]2O1	REAL300007333671	0	53	0.0	-70.79	397.46	7.61	-63.18
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C1	REAL300007333819	0	52	0.0	-69.37	378.96	6.92	-62.45
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C1	REAL300007333819	1	52	0.0	-63.20	369.95	7.02	-56.18
O=C([O-])C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)[C@H]2COC[C@@H]2O1	REAL300007333844	1	50	0.0	-71.75	369.35	3.28	-68.47
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C1	REAL300007334020	0	52	0.0	-68.43	374.37	6.81	-61.62
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C1	REAL300007334020	1	52	0.0	-66.71	374.06	6.81	-59.90
C[N@@H+]1CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C(C(F)(F)F)C1	REAL300007334021	0	46	0.0	-77.30	338.64	5.91	-71.39
C[N@H+]1CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C(C(F)(F)F)C1	REAL300007334021	1	46	0.0	-81.70	341.04	6.03	-75.67
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)N1	REAL300007334045	1	47	0.0	-64.47	366.06	5.44	-59.03
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)=C1	REAL300007334436	0	52	0.0	-73.26	395.68	8.10	-65.16
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C=C1	REAL300007334443	0	53	0.0	-72.98	403.13	7.07	-65.91
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C1	REAL300007334558	0	46	0.0	-71.91	345.32	5.81	-66.10
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C[N@@H+](CC(=O)N1CC(C(=O)[O-])OCC12CCC2)CC(C)(C)C	REAL300007337541	1	50	0.0	-53.96	354.01	8.26	-45.70
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007337543	0	51	0.0	-59.84	383.22	10.06	-49.78
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007337543	1	51	0.0	-59.68	382.86	10.15	-49.53
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007337544	0	55	0.0	-59.60	411.95	6.31	-53.29
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007337544	1	55	0.0	-60.61	412.06	6.27	-54.34
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])OCC23CCC3)C1	REAL300007337547	0	49	0.0	-58.34	344.21	5.62	-52.72
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CCCCCC[N@H+](C)CC(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007337558	0	53	0.0	-56.73	387.81	9.37	-47.36
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C[NH+](C)CCN1C=C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C=N1	REAL300007337604	0	48	0.0	-70.20	365.56	6.89	-63.31
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CC(C(=O)N1CC(C(=O)[O-])OCC12CCC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007337615	1	52	0.0	-53.58	379.42	9.90	-43.68
CC(C(=O)N1CC(C(=O)[O-])OCC12CCC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300007337615	1	52	0.0	-53.21	377.88	10.03	-43.18
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CC[C@@H]1[C@@H](C(=O)N2CC(C(=O)[O-])OCC23CCC3)CC[N@H+]1C	REAL300007337653	1	48	0.0	-58.95	341.98	7.54	-51.41
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CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OCC34CCC4)C=C2)CC1	REAL300007337761	1	57	0.0	-64.55	418.83	8.05	-56.50
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C=C1	REAL300007337762	0	58	0.0	-62.55	424.28	9.85	-52.70
CC(C)[NH+]1CCC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)CC1	REAL300007337770	0	51	0.0	-58.52	358.41	8.13	-50.39
O=C([O-])C1CN(C(=O)C23CC[N@H+](C2)CCC3)C2(CCC2)CO1	REAL300007337843	0	46	0.0	-57.66	316.55	6.58	-51.08
O=C([O-])C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C2(CCC2)CO1	REAL300007337843	1	46	0.0	-62.03	317.45	6.58	-55.45
CC1CCC(C)[NH+]1CC(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007337883	0	48	0.0	-51.06	338.83	7.41	-43.65
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)=C1	REAL300007337884	0	48	0.0	-65.95	361.05	8.73	-57.22
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C2(CCC2)CO1	REAL300007337885	0	55	0.0	-59.73	403.33	10.76	-48.97
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C2(CCC2)CO1	REAL300007337885	1	55	0.0	-59.77	404.36	10.71	-49.06
C#CC[NH+]1CCC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)CC1	REAL300007337936	0	47	0.0	-61.59	352.91	8.37	-53.22
CC[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])OCC23CCC3)CC1	REAL300007337938	0	53	0.0	-61.19	382.50	6.30	-54.89
CCN1CC[NH+](CCC(=O)N2CC(C(=O)[O-])OCC23CCC3)CC1	REAL300007337938	1	53	0.0	-58.53	382.49	6.30	-52.23
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007337945	1	49	0.0	-53.15	369.30	8.79	-44.36
CC(C(=O)N1CC(C(=O)[O-])OCC12CCC2)[NH+]1CCCCCC1	REAL300007337976	0	51	0.0	-52.30	349.52	7.97	-44.33
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])OCC34CCC4)=CC=C1N2	REAL300007338010	1	53	0.0	-73.68	395.14	9.12	-64.56
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])OCC34CCC4)=CC=C1N2	REAL300007338010	1	53	0.0	-73.27	396.91	9.30	-63.97
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)O1	REAL300007338052	0	51	0.0	-59.33	376.71	8.54	-50.79
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCCC2)C2(CCC2)CO1	REAL300007338053	0	51	0.0	-61.17	375.21	8.96	-52.21
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])OCC34CCC4)CC2)[NH+]=C1	REAL300007338055	1	54	0.0	-56.37	397.19	8.58	-47.79
C[N@H+](CC(=O)N1CC(C(=O)[O-])OCC12CCC2)CC1=CC=CC=C1	REAL300007338056	1	48	0.0	-57.67	360.55	9.19	-48.48
C[N@@H+](CC(=O)N1CC(C(=O)[O-])OCC12CCC2)CC1=CC=CC=C1	REAL300007338056	1	48	0.0	-57.42	360.43	9.30	-48.12
O=C([O-])C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C2(CCC2)CO1	REAL300007338075	1	43	0.0	-71.24	340.54	6.84	-64.40
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)=NO1	REAL300007338098	1	44	0.0	-74.12	339.58	7.05	-67.07
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007338102	0	55	0.0	-54.74	406.07	10.65	-44.09
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007338102	1	55	0.0	-61.07	403.22	10.87	-50.20
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007338118	0	48	0.0	-51.21	328.10	7.81	-43.40
CC(C)[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])OCC12CCC2	REAL300007338118	1	48	0.0	-50.80	332.65	7.96	-42.84
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])OCC23CCC3)C=C1	REAL300007338125	0	56	0.0	-68.00	425.21	10.08	-57.92
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])OCC23CCC3)CC1	REAL300007338139	0	49	0.0	-64.69	363.84	7.58	-57.11
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C2(CCC2)CO1	REAL300007338144	0	52	0.0	-57.19	385.60	9.27	-47.92
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C1	REAL300007338293	0	51	0.0	-56.18	358.29	8.71	-47.47
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C1	REAL300007338293	1	51	0.0	-56.20	357.74	8.75	-47.45
O=C([O-])C1CN(C(=O)C[NH+]2CCC(CO)CC2)C2(CCC2)CO1	REAL300007338321	0	49	0.0	-57.15	357.49	4.79	-52.36
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C1	REAL300007338504	0	51	0.0	-55.42	351.99	8.28	-47.14
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C1	REAL300007338504	1	51	0.0	-56.17	362.30	8.32	-47.85
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C(C(F)(F)F)C1	REAL300007338505	0	45	0.0	-66.56	331.48	7.56	-59.00
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C(C(F)(F)F)C1	REAL300007338505	1	45	0.0	-68.52	333.42	7.00	-61.52
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])OCC23CCC3)N1	REAL300007338527	1	46	0.0	-53.69	354.12	6.93	-46.76
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)=C1	REAL300007338919	0	51	0.0	-68.26	383.59	9.58	-58.68
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C=C1	REAL300007338927	0	52	0.0	-64.04	390.39	8.52	-55.52
O=C([O-])C1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C2(CCC2)CO1	REAL300007339021	0	58	0.0	-64.36	423.56	11.59	-52.77
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OCC34CCC4)C=C2)CCO1	REAL300007339023	1	56	0.0	-66.78	408.63	9.05	-57.73
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OCC34CCC4)C=C2)CCO1	REAL300007339023	1	56	0.0	-66.30	407.64	8.88	-57.42
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])OCC23CCC3)CC1	REAL300007339054	0	51	0.0	-60.36	352.67	8.12	-52.24
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])OCC34CCC4)=CN21	REAL300007339058	0	43	0.0	-56.84	334.65	8.54	-48.30
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C1	REAL300007339107	0	54	0.0	-56.36	374.16	9.18	-47.18
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C1	REAL300007339107	1	54	0.0	-58.04	380.88	9.22	-48.82
CC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C1	REAL300007339108	0	48	0.0	-57.57	345.45	7.79	-49.78
CC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C1	REAL300007339108	1	48	0.0	-56.03	336.69	7.94	-48.09
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)O1	REAL300007339114	1	45	0.0	-59.93	344.44	7.34	-52.59
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C2(CCC2)CO1	REAL300007339122	0	47	0.0	-46.71	341.33	8.07	-38.64
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C2(CCC2)CO1	REAL300007339122	1	47	0.0	-46.89	329.32	8.52	-38.37
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CCOCC3)C23CC3)C1	REAL300007339256	0	52	0.0	-49.55	361.81	8.19	-41.36
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CCOCC3)C23CC3)C1	REAL300007339256	1	52	0.0	-49.01	361.74	8.19	-40.82
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@@H]3CCC[C@@H]3C23CC3)C1	REAL300007339323	0	48	0.0	-46.05	348.46	9.67	-36.38
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@@H]3C23CC3)C1	REAL300007339323	1	48	0.0	-45.22	347.48	9.64	-35.58
NS(=O)(=O)NCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007339411	0	40	0.0	-58.92	328.07	-2.09	-61.01
NS(=O)(=O)NCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007339411	1	40	0.0	-59.99	328.71	-2.07	-62.06
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300007339524	0	56	0.0	-47.46	409.29	12.30	-35.16
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300007339524	1	56	0.0	-44.58	402.56	11.84	-32.74
CC1(C)CC1(CC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007339644	0	53	0.0	-45.48	383.10	9.84	-35.64
CC1(C)CC1(CC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007339644	1	53	0.0	-47.78	398.07	10.81	-36.97
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CN=C2OC(F)F)C1	REAL300007339764	0	43	0.0	-53.34	353.83	4.89	-48.45
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CN=C2OC(F)F)C1	REAL300007339764	1	43	0.0	-52.15	347.64	4.87	-47.28
COCC1CCOCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007339851	0	48	0.0	-45.90	342.77	6.43	-39.47
COCC1CCOCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007339851	1	48	0.0	-47.15	345.70	7.06	-40.09
CSCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300007339958	0	47	0.0	-46.20	378.23	9.37	-36.83
CSCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300007339958	1	47	0.0	-52.07	387.15	10.47	-41.60
O=C([O-])C1CCC[N@H+](CC(=O)NC2(COC3=CC=CC=C3)CC2)C1	REAL300007340072	0	48	0.0	-45.36	369.22	7.92	-37.44
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(COC3=CC=CC=C3)CC2)C1	REAL300007340072	1	48	0.0	-47.11	377.25	8.36	-38.75
CC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CC=C1S(C)(=O)=O	REAL300007340186	1	46	0.0	-60.49	358.56	5.62	-54.87
CC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=CC=C1S(C)(=O)=O	REAL300007340186	1	46	0.0	-60.97	353.53	5.68	-55.29
O=C([O-])[C@@]1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C[C@@H]1C(F)(F)F	REAL300007341369	0	50	0.0	-57.53	396.80	10.47	-47.06
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@@H]1C(F)(F)F	REAL300007342022	0	47	0.0	-43.63	380.97	9.91	-33.72
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@@H]1C(F)(F)F	REAL300007342022	1	47	0.0	-53.07	383.40	9.50	-43.57
O=C([O-])[C@@]1(CNC(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1C(F)(F)F	REAL300007342929	0	44	0.0	-58.53	353.37	7.91	-50.62
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@@H+]2C2CC2)C[C@@H]1C(F)(F)F	REAL300007342956	0	41	0.0	-41.93	333.11	7.75	-34.18
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@H+]2C2CC2)C[C@@H]1C(F)(F)F	REAL300007342956	1	41	0.0	-43.16	328.11	7.62	-35.54
CC1=[NH+]C=C2CCC(C(=O)NC[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)CN12	REAL300007342962	1	42	0.0	-49.64	345.26	8.13	-41.51
O=C([O-])[C@@]1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C[C@@H]1C(F)(F)F	REAL300007342963	0	50	0.0	-34.66	386.91	10.95	-23.71
C[N@@H+]1CCCCC1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343045	0	40	0.0	-44.94	317.64	6.82	-38.12
C[N@H+]1CCCCC1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343045	1	40	0.0	-46.89	307.95	6.52	-40.37
CC(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)N1CC[NH+](C)CC1	REAL300007343046	1	45	0.0	-56.92	346.60	5.05	-51.87
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343090	0	40	0.0	-44.93	317.62	6.82	-38.11
C[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343090	1	40	0.0	-55.47	312.11	6.25	-49.22
CC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007343148	0	53	0.0	-48.67	409.16	10.82	-37.85
C[NH+]1CCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007343181	0	40	0.0	-58.90	322.22	7.08	-51.82
O=C([O-])[C@@]1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@@H]1C(F)(F)F	REAL300007343207	0	35	0.0	-56.59	305.85	8.74	-47.85
C[NH+](C)CC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CCCCC1	REAL300007343240	0	49	0.0	-40.24	358.69	8.82	-31.42
C[N@H+](CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1CCCCC1	REAL300007343245	0	49	0.0	-50.65	374.08	8.84	-41.81
C[N@@H+](CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1CCCCC1	REAL300007343245	1	49	0.0	-49.91	373.72	8.70	-41.21
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@@H]1C(F)(F)F	REAL300007343262	1	47	0.0	-45.80	379.79	9.40	-36.40
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@@H]1C(F)(F)F	REAL300007343262	1	47	0.0	-49.49	387.31	10.01	-39.48
C[NH+]1CCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007343316	0	40	0.0	-58.90	322.22	7.08	-51.82
O=C([O-])[C@@]1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@@H]1C(F)(F)F	REAL300007343321	0	43	0.0	-67.19	368.98	7.46	-59.73
O=C([O-])[C@@]1(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@@H]1C(F)(F)F	REAL300007343344	0	50	0.0	-42.79	367.97	9.04	-33.75
O=C([O-])[C@@]1(CNC(=O)C2CCCC[N@H+]2C2CCCC2)C[C@@H]1C(F)(F)F	REAL300007343344	1	50	0.0	-42.13	368.31	9.16	-32.97
O=C([O-])[C@@]1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1C(F)(F)F	REAL300007343345	0	51	0.0	-61.65	389.35	7.69	-53.96
CC1=[NH+]C=CN1CCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343378	1	41	0.0	-51.38	346.61	8.15	-43.23
O=C(CCCC[NH+]1CCOCC1)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343379	1	47	0.0	-65.62	377.78	6.44	-59.18
CC[N@H+](CC1=CC=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1)C(C)C	REAL300007343382	0	52	0.0	-62.11	393.63	10.10	-52.01
CC[N@@H+](CC1=CC=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1)C(C)C	REAL300007343382	1	52	0.0	-70.62	396.95	9.75	-60.87
O=C([O-])[C@@]1(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(F)(F)F	REAL300007343431	0	47	0.0	-52.13	380.33	9.69	-42.44
O=C([O-])[C@@]1(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(F)(F)F	REAL300007343431	1	47	0.0	-52.30	380.64	9.70	-42.60
O=C([O-])[C@@]1(CNC(=O)C2CC[NH+](C3CCSC3)CC2)C[C@@H]1C(F)(F)F	REAL300007343432	0	48	0.0	-66.32	383.39	8.71	-57.61
C[NH+]1CCN(C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C2=CC=CC=C2)CC1	REAL300007343458	1	52	0.0	-57.68	412.20	8.39	-49.29
O=C([O-])[C@@]1(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H]1C(F)(F)F	REAL300007343459	0	51	0.0	-51.17	372.08	6.95	-44.22
CCC(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[NH+](CC)CC	REAL300007343463	0	45	0.0	-41.99	338.28	7.27	-34.72
CC(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300007343465	0	46	0.0	-43.04	370.62	9.23	-33.81
CC(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300007343465	1	46	0.0	-45.40	370.54	9.24	-36.16
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@@H]1C(F)(F)F	REAL300007343477	0	53	0.0	-49.47	412.70	11.36	-38.11
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@@H]1C(F)(F)F	REAL300007343477	1	53	0.0	-54.94	418.95	11.16	-43.78
C[NH+](C)CC1=CC=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=N1	REAL300007343499	0	42	0.0	-61.26	349.58	6.86	-54.40
CCC[NH+](CCC)CCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343508	0	51	0.0	-62.81	396.80	8.80	-54.01
CC[N@H+](C)C(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1=CC=CC=C1	REAL300007343509	0	46	0.0	-42.67	371.00	9.37	-33.30
CC[N@@H+](C)C(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1=CC=CC=C1	REAL300007343509	1	46	0.0	-42.19	371.08	9.37	-32.82
C[N@@H+]1CCOC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007343511	1	38	0.0	-61.73	309.76	5.12	-56.61
C[N@H+]1CCOC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007343511	1	38	0.0	-55.51	313.03	5.69	-49.82
CC[NH+](CC)C(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1=CC=CC=C1	REAL300007343514	0	49	0.0	-43.48	375.85	9.41	-34.07
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343523	1	41	0.0	-43.58	341.44	7.96	-35.62
C[NH+](C)C(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1=CC=C(Cl)C=C1	REAL300007343528	1	43	0.0	-43.75	367.12	9.24	-34.51
O=C([O-])[C@@]1(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@@H]1C(F)(F)F	REAL300007343541	0	47	0.0	-69.36	382.46	9.47	-59.89
O=C([O-])[C@@]1(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C[C@@H]1C(F)(F)F	REAL300007343549	0	50	0.0	-63.93	397.31	10.76	-53.17
C[NH+](C)CC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007343555	0	40	0.0	-50.78	330.05	6.76	-44.02
C[NH+](C)CCCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343564	0	42	0.0	-64.18	344.88	6.99	-57.19
CC(C)C(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[NH+](C)C	REAL300007343573	0	42	0.0	-46.31	323.10	6.80	-39.51
O=C([O-])[C@@]1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C[C@@H]1C(F)(F)F	REAL300007343586	0	50	0.0	-44.04	384.86	10.22	-33.82
O=C([O-])[C@@]1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C[C@@H]1C(F)(F)F	REAL300007343586	1	50	0.0	-42.80	394.28	10.37	-32.43
CC1=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=NN1C1=CC=[NH+]C=C1	REAL300007343588	1	41	0.0	-67.08	351.44	7.12	-59.96
O=C([O-])[C@@]1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C[C@@H]1C(F)(F)F	REAL300007343596	0	50	0.0	-63.62	395.36	10.58	-53.04
O=C([O-])[C@@]1(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@@H]1C(F)(F)F	REAL300007343610	1	43	0.0	-66.36	360.14	7.41	-58.95
C[NH+](C)CCC1=CC=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1	REAL300007343611	0	46	0.0	-72.81	380.14	9.16	-63.65
CNC1=[NH+]C(C)=CC=C1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343623	1	39	0.0	-42.85	324.96	6.29	-36.56
O=C([O-])[C@@]1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@@H]1C(F)(F)F	REAL300007343625	1	48	0.0	-51.16	382.62	9.09	-42.07
O=C([O-])[C@@]1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@@H]1C(F)(F)F	REAL300007343625	1	48	0.0	-42.70	382.34	8.96	-33.74
C[N@H+](CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1CCC1	REAL300007343656	0	40	0.0	-46.44	323.80	7.41	-39.03
C[N@@H+](CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1CCC1	REAL300007343656	1	40	0.0	-43.56	321.77	7.22	-36.34
CC(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[NH+]1CCSCC1	REAL300007343680	1	41	0.0	-43.80	334.60	7.20	-36.60
C[N@H+](CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)CC(C)(C)C	REAL300007343686	0	45	0.0	-54.88	347.21	7.31	-47.57
C[N@@H+](CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)CC(C)(C)C	REAL300007343686	1	45	0.0	-44.26	345.80	7.81	-36.45
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343688	0	46	0.0	-48.71	374.80	9.66	-39.05
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343688	1	46	0.0	-48.17	374.44	9.53	-38.64
COCCOCC[N@H+](C)CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343689	0	50	0.0	-51.83	403.79	5.86	-45.97
COCCOCC[N@@H+](C)CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343689	1	50	0.0	-51.75	403.48	5.72	-46.03
C[N@@H+]1CCCC(O)(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007343694	0	44	0.0	-48.48	335.92	5.26	-43.22
C[N@H+]1CCCC(O)(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007343694	1	44	0.0	-47.79	346.00	5.60	-42.19
O=C([O-])[C@@]1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C[C@@H]1C(F)(F)F	REAL300007343715	1	49	0.0	-48.01	379.95	8.48	-39.53
O=C([O-])[C@@]1(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C[C@@H]1C(F)(F)F	REAL300007343715	1	49	0.0	-45.22	379.50	8.35	-36.87
CCCCCC[N@H+](C)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343718	0	48	0.0	-54.72	383.24	8.60	-46.12
CCCCCC[N@@H+](C)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343718	1	48	0.0	-45.75	379.03	8.86	-36.89
O=C([O-])[C@@]1(CNC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C(F)(F)F	REAL300007343728	0	41	0.0	-38.75	320.28	7.19	-31.56
O=C([O-])[C@@]1(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@@H]1C(F)(F)F	REAL300007343736	1	35	0.0	-61.84	308.03	8.93	-52.91
C[N@H+](CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1CCSC1	REAL300007343752	0	41	0.0	-48.28	335.17	7.46	-40.82
C[N@@H+](CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1CCSC1	REAL300007343752	1	41	0.0	-49.46	334.95	7.48	-41.98
CC(C)[NH+]1CCN(CCC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007343769	0	51	0.0	-54.08	391.03	6.41	-47.67
CC(C)N1CC[NH+](CCC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007343769	1	51	0.0	-49.93	387.48	6.11	-43.82
CC(C)[NH+]1CCN(CCCC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007343770	0	54	0.0	-56.46	412.51	7.21	-49.25
CC(C)N1CC[NH+](CCCC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007343770	1	54	0.0	-61.29	412.87	6.62	-54.67
O=C([O-])[C@@]1(CNC(=O)C2CCCC3CCC[N@@H+]32)C[C@@H]1C(F)(F)F	REAL300007343771	0	44	0.0	-39.88	340.37	8.07	-31.81
O=C([O-])[C@@]1(CNC(=O)C2CCCC3CCC[N@H+]32)C[C@@H]1C(F)(F)F	REAL300007343771	1	44	0.0	-40.73	340.23	8.06	-32.67
C[NH+](C)CCN1C=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=N1	REAL300007343773	0	43	0.0	-66.09	359.62	6.59	-59.50
O=C([O-])[C@@]1(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@@H]1C(F)(F)F	REAL300007343782	0	52	0.0	-53.85	408.11	8.44	-45.41
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C[C@@H]1C(F)(F)F	REAL300007343785	0	49	0.0	-55.97	391.68	8.57	-47.40
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C[C@@H]1C(F)(F)F	REAL300007343785	1	49	0.0	-62.20	395.51	8.27	-53.93
CC(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007343790	1	47	0.0	-44.77	370.72	9.79	-34.98
CC(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[N@H+]1CCC2=CC=CC=C2C1	REAL300007343790	1	47	0.0	-44.59	370.35	9.66	-34.93
CCCC(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[NH+](C)C	REAL300007343811	0	42	0.0	-44.58	329.77	7.14	-37.44
O=C([O-])[C@@]1(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(F)(F)F	REAL300007343813	0	50	0.0	-57.05	400.56	10.45	-46.60
O=C([O-])[C@@]1(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(F)(F)F	REAL300007343813	1	50	0.0	-57.12	401.22	10.44	-46.68
C[NH+](C)CCN1C=CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=N1	REAL300007343828	0	43	0.0	-72.76	364.12	6.34	-66.42
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343829	0	43	0.0	-55.52	352.84	6.75	-48.77
C[C@@H]1[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC[N@@H+]1C	REAL300007343835	0	40	0.0	-54.41	312.35	6.21	-48.20
C[C@@H]1[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC[N@H+]1C	REAL300007343835	1	40	0.0	-52.53	317.73	6.73	-45.80
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343837	1	44	0.0	-46.85	361.61	8.44	-38.41
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC[N@@H+]1C	REAL300007343840	0	43	0.0	-54.12	332.86	6.91	-47.21
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC[N@H+]1C	REAL300007343840	1	43	0.0	-51.06	336.70	7.44	-43.62
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343844	1	39	0.0	-42.16	321.91	6.87	-35.29
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343844	1	39	0.0	-43.14	328.21	7.53	-35.61
CC1C[N@H+](C)CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)O1	REAL300007343852	1	41	0.0	-40.37	327.16	6.26	-34.11
CC1C[N@@H+](C)CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)O1	REAL300007343852	1	41	0.0	-68.80	330.76	5.58	-63.22
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@@H]1C(F)(F)F	REAL300007343858	1	46	0.0	-39.11	375.04	8.38	-30.73
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@@H]1C(F)(F)F	REAL300007343858	1	46	0.0	-42.24	369.24	7.52	-34.72
CC1=[NH+]C=CN1CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343862	1	35	0.0	-44.39	305.10	6.84	-37.55
CC(C[NH+]1CCOCC1)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343864	0	44	0.0	-48.00	346.36	6.09	-41.91
CC1CC[NH+](CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007343879	0	43	0.0	-47.57	340.17	7.91	-39.66
CC[N@@H+]1CCOC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007343892	1	41	0.0	-48.87	323.73	6.17	-42.70
CC[N@H+]1CCOC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007343892	1	41	0.0	-65.43	334.61	5.92	-59.51
CN1C=CN=C1C[NH+]1CCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007343930	1	50	0.0	-62.40	393.90	8.80	-53.60
O=C([O-])[C@@]1(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C(F)(F)F	REAL300007343931	0	50	0.0	-50.11	381.65	9.15	-40.96
O=C([O-])[C@@]1(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C(F)(F)F	REAL300007343931	1	50	0.0	-49.63	381.20	9.17	-40.46
C[N@@H+]1CCCC1CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343938	0	43	0.0	-53.17	337.54	7.26	-45.91
C[N@H+]1CCCC1CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343938	1	43	0.0	-50.60	339.63	7.54	-43.06
O=C([O-])[C@@]1(CNC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C(F)(F)F	REAL300007343951	0	44	0.0	-57.10	333.04	7.43	-49.67
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343953	0	41	0.0	-41.02	319.92	3.43	-37.59
C[N@H+]1CC(O)CC1(C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343953	1	41	0.0	-48.15	323.67	3.66	-44.49
O=C([O-])[C@@]1(CNC(=O)C2CCC3CCCC[N@@H+]32)C[C@@H]1C(F)(F)F	REAL300007343954	0	44	0.0	-43.04	336.46	7.71	-35.33
O=C([O-])[C@@]1(CNC(=O)C2CCC3CCCC[N@H+]32)C[C@@H]1C(F)(F)F	REAL300007343954	1	44	0.0	-40.61	337.32	7.71	-32.90
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007343961	0	47	0.0	-52.11	358.13	6.46	-45.65
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=N1	REAL300007343966	0	50	0.0	-59.98	391.22	7.79	-52.19
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=N1	REAL300007343966	1	50	0.0	-61.51	381.66	7.29	-54.22
C[NH+]1CCN(CC2=CC=CC(C(=O)NC[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)=C2)CC1	REAL300007343970	0	52	0.0	-61.60	411.55	7.96	-53.64
C[NH+]1CCN(CC2=CC=C(C(=O)NC[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)C=C2)CC1	REAL300007343971	0	52	0.0	-68.38	416.26	7.75	-60.63
CN1CC[NH+](CC2=CC=C(C(=O)NC[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)C=C2)CC1	REAL300007343971	1	52	0.0	-65.09	411.88	8.02	-57.07
CC(C)[NH+]1CCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007343980	0	46	0.0	-53.26	350.91	7.85	-45.41
O=C([O-])[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C(F)(F)F	REAL300007344061	0	38	0.0	-53.66	307.16	5.72	-47.94
O=C([O-])[C@@]1(CNC(=O)C23CC[N@H+](C2)CCC3)C[C@@H]1C(F)(F)F	REAL300007344071	0	41	0.0	-54.19	317.52	6.48	-47.71
O=C([O-])[C@@]1(CNC(=O)C23CC[N@@H+](C2)CCC3)C[C@@H]1C(F)(F)F	REAL300007344071	1	41	0.0	-55.46	317.40	6.46	-49.00
CC1CCC(C)[NH+]1CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344120	0	43	0.0	-43.54	322.96	6.72	-36.82
C[NH+](C)CC1=CC=CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=C1	REAL300007344121	0	43	0.0	-62.83	353.86	8.72	-54.11
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(F)(F)F	REAL300007344122	0	50	0.0	-49.27	390.57	10.62	-38.65
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(F)(F)F	REAL300007344122	1	50	0.0	-51.40	396.75	10.42	-40.98
C[NH+](C)C1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CCC1	REAL300007344162	0	40	0.0	-41.05	311.29	6.70	-34.35
C#CC[NH+]1CCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007344195	0	42	0.0	-55.76	344.94	8.05	-47.71
CCC[N@@H+]1CCCCC1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344197	0	46	0.0	-43.21	347.15	7.92	-35.29
CCC[N@H+]1CCCCC1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344197	1	46	0.0	-40.88	356.58	8.09	-32.79
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344198	0	43	0.0	-46.41	346.53	8.95	-37.46
CC[NH+]1CCN(CCC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007344200	0	48	0.0	-55.91	374.28	5.90	-50.01
CCN1CC[NH+](CCC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007344200	1	48	0.0	-49.92	372.75	5.63	-44.29
CC(C)C(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[NH+]1CCCCC1	REAL300007344202	0	49	0.0	-43.85	366.32	9.08	-34.77
C[NH+](C)C(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1=CC=CC=C1	REAL300007344203	1	43	0.0	-45.15	350.32	8.72	-36.43
O=C([O-])[C@@]1(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(F)(F)F	REAL300007344207	0	48	0.0	-49.71	388.64	6.63	-43.08
O=C([O-])[C@@]1(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H]1C(F)(F)F	REAL300007344207	1	48	0.0	-48.55	388.59	6.65	-41.90
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344213	1	44	0.0	-46.43	365.29	8.51	-37.92
C[NH+](C)CC1=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)OC2=CC=CC=C21	REAL300007344214	0	46	0.0	-56.02	380.96	9.07	-46.95
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@@H+]2C2CCCC2)C[C@@H]1C(F)(F)F	REAL300007344219	0	47	0.0	-44.77	351.75	8.59	-36.18
O=C([O-])[C@@]1(CNC(=O)C2CCC[N@H+]2C2CCCC2)C[C@@H]1C(F)(F)F	REAL300007344219	1	47	0.0	-44.20	361.62	8.62	-35.58
CC[N@H+](CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1CC1	REAL300007344221	0	40	0.0	-49.95	328.09	6.87	-43.08
CC[N@@H+](CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)C1CC1	REAL300007344221	1	40	0.0	-43.10	321.70	7.25	-35.85
CC(C)C(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[NH+]1CC(C)OC(C)C1	REAL300007344250	1	53	0.0	-41.45	395.05	7.57	-33.88
CC(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[NH+]1CCCCCC1	REAL300007344251	0	46	0.0	-42.79	344.71	7.68	-35.11
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)=CC=C1N2	REAL300007344293	1	48	0.0	-69.57	388.82	9.15	-60.42
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)=CC=C1N2	REAL300007344293	1	48	0.0	-70.17	388.64	9.15	-61.02
CC[NH+](CC)CC1=CC=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)O1	REAL300007344344	0	46	0.0	-59.39	377.87	8.59	-50.80
O=C([O-])[C@@]1(CNC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C(F)(F)F	REAL300007344345	0	46	0.0	-56.15	365.97	8.48	-47.67
CC1=CC=C(N2CCC(C(=O)NC[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)CC2)[NH+]=C1	REAL300007344347	1	49	0.0	-51.76	389.07	8.01	-43.75
C[N@H+](CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)CC1=CC=CC=C1	REAL300007344348	1	43	0.0	-46.95	351.96	8.70	-38.25
C[N@@H+](CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)CC1=CC=CC=C1	REAL300007344348	1	43	0.0	-56.93	356.22	8.44	-48.49
CC(C)[C@@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)[NH+](C)C	REAL300007344359	0	42	0.0	-46.16	317.88	7.41	-38.75
O=C([O-])[C@@]1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@@H]1C(F)(F)F	REAL300007344377	1	38	0.0	-65.23	334.96	6.67	-58.56
C[NH+](C)CC1=CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=NO1	REAL300007344407	1	39	0.0	-68.00	334.78	6.26	-61.74
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344411	0	50	0.0	-54.23	396.75	10.22	-44.01
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344411	1	50	0.0	-56.14	400.24	10.28	-45.86
CC(C)[N@@H+]1CCCC1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344427	0	43	0.0	-43.11	334.26	7.20	-35.91
CC(C)[N@H+]1CCCC1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344427	1	43	0.0	-44.05	328.04	7.47	-36.58
C[NH+]1CCC(OCC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007344453	0	44	0.0	-60.74	355.63	7.33	-53.41
O=C([O-])[C@@]1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@@H]1C(F)(F)F	REAL300007344458	0	47	0.0	-60.85	382.67	9.00	-51.85
CCC[N@@H+]1CCCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007344652	0	46	0.0	-45.41	353.17	8.45	-36.96
CCC[N@H+]1CCCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007344652	1	46	0.0	-51.62	359.40	8.26	-43.36
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344684	0	46	0.0	-41.69	354.68	7.88	-33.81
CC(C)C[N@H+]1CCCC1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007344684	1	46	0.0	-44.98	349.47	8.51	-36.47
O=C([O-])[C@@]1(CNC(=O)C[NH+]2CCC(CO)CC2)C[C@@H]1C(F)(F)F	REAL300007344685	1	44	0.0	-46.81	349.04	4.40	-42.41
O=C([O-])[C@@]1(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C[C@@H]1C(F)(F)F	REAL300007344792	0	51	0.0	-54.52	404.07	10.71	-43.81
O=C([O-])[C@@]1(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C[C@@H]1C(F)(F)F	REAL300007344792	1	51	0.0	-55.48	407.04	10.69	-44.79
CC(C)[N@@H+]1CCCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007344923	0	46	0.0	-44.52	348.32	8.23	-36.29
CC(C)[N@H+]1CCCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007344923	1	46	0.0	-45.64	347.95	8.10	-37.54
C[N@@H+]1CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C(C(F)(F)F)C1	REAL300007344924	0	40	0.0	-50.09	339.63	6.97	-43.12
C[N@H+]1CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C(C(F)(F)F)C1	REAL300007344924	1	40	0.0	-61.81	325.74	6.98	-54.83
CC1=C(C)[NH+]=C(CCC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)N1	REAL300007344950	1	41	0.0	-46.58	345.88	6.52	-40.06
C[NH+](C)CCC1=CC=CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=C1	REAL300007345447	0	46	0.0	-65.62	376.30	9.56	-56.06
C[NH+](C)CCOC1=CC=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1	REAL300007345454	0	47	0.0	-70.21	387.27	8.12	-62.09
O=C([O-])[C@@]1(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C[C@@H]1C(F)(F)F	REAL300007345551	0	53	0.0	-57.89	415.01	11.04	-46.85
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007345597	0	40	0.0	-55.53	325.35	6.96	-48.57
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300007345601	0	46	0.0	-51.40	351.75	7.51	-43.89
CC1=[NH+]C=C2C=CC(C(=O)NC[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)=CN21	REAL300007345605	0	38	0.0	-51.81	327.26	8.50	-43.31
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007345671	0	49	0.0	-49.85	376.84	8.94	-40.91
CC(C)C[N@H+]1CCCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007345671	1	49	0.0	-47.40	367.82	9.11	-38.29
CC[N@@H+]1CCCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007345672	0	43	0.0	-45.62	331.30	7.58	-38.04
CC[N@H+]1CCCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007345672	1	43	0.0	-51.38	337.93	7.51	-43.87
C[N@@H+]1CCCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007345676	0	40	0.0	-51.31	317.85	6.67	-44.64
C[N@H+]1CCCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007345676	1	40	0.0	-47.49	313.99	7.06	-40.43
C[NH+](C)CC1=CC=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)O1	REAL300007345678	1	40	0.0	-58.41	339.14	6.94	-51.47
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007345684	0	49	0.0	-60.37	358.05	7.92	-52.45
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C1	REAL300007345684	1	49	0.0	-59.45	365.31	8.23	-51.22
O=C([O-])[C@@]1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@@H]1C(F)(F)F	REAL300007345687	1	42	0.0	-38.43	326.83	8.15	-30.28
O=C([O-])C1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCCO1	REAL300007347009	0	51	0.0	-64.69	391.42	8.94	-55.75
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCCO1	REAL300007347786	0	48	0.0	-50.05	368.20	7.80	-42.25
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCCO1	REAL300007347786	1	48	0.0	-49.53	374.09	8.35	-41.18
CC1=[NH+]C=C2CCC(C(=O)NCC3(C(=O)[O-])CCCO3)CN21	REAL300007348680	1	43	0.0	-55.07	338.25	6.45	-48.62
O=C([O-])C1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCCO1	REAL300007348681	0	51	0.0	-52.28	392.83	8.89	-43.39
CC1=NC(C[NH+]2CCC(C(=O)NCC3(C(=O)[O-])CCCO3)CC2)=CS1	REAL300007348746	1	50	0.0	-63.14	398.78	6.70	-56.44
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2(C(=O)[O-])CCCO2)C=C1	REAL300007348824	0	54	0.0	-70.74	424.52	8.45	-62.29
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCCO2)=C1	REAL300007348838	0	54	0.0	-74.85	425.16	10.76	-64.09
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCCO2)=C1	REAL300007348838	1	54	0.0	-74.45	425.17	10.77	-63.68
CC1(C(=O)NCC2(C(=O)[O-])CCCO2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007348839	0	54	0.0	-60.91	404.10	9.35	-51.56
C[NH+](C)CC1(C(=O)NCC2(C(=O)[O-])CCCO2)CCCCC1	REAL300007348922	0	50	0.0	-47.33	358.96	7.08	-40.25
C[N@H+](CCC(=O)NCC1(C(=O)[O-])CCCO1)C1CCCCC1	REAL300007348925	0	50	0.0	-57.42	368.70	7.28	-50.14
C[N@@H+](CCC(=O)NCC1(C(=O)[O-])CCCO1)C1CCCCC1	REAL300007348925	1	50	0.0	-57.86	368.69	7.30	-50.56
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCCO1	REAL300007348950	1	48	0.0	-53.25	374.66	7.88	-45.37
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCCO1	REAL300007348950	1	48	0.0	-49.57	374.61	7.87	-41.70
O=C([O-])C1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCCO1	REAL300007349004	0	44	0.0	-68.94	359.52	6.32	-62.62
C[NH+](C)CCN1N=CC(C(=O)NCC2(C(=O)[O-])CCCO2)=C1C1=CC=CC=C1	REAL300007349009	0	54	0.0	-75.01	423.57	8.46	-66.55
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)CCCO1	REAL300007349035	0	51	0.0	-49.50	368.25	7.49	-42.01
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2C2CCCC2)CCCO1	REAL300007349035	1	51	0.0	-50.99	363.29	7.65	-43.34
O=C([O-])C1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CCCO1	REAL300007349036	0	52	0.0	-66.69	381.99	5.98	-60.71
O=C(CCCC[NH+]1CCOCC1)NCC1(C(=O)[O-])CCCO1	REAL300007349064	1	48	0.0	-66.38	368.55	5.30	-61.08
CC[N@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCO2)C=C1)C(C)C	REAL300007349066	0	53	0.0	-68.65	396.98	8.81	-59.84
CC[N@@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCO2)C=C1)C(C)C	REAL300007349066	1	53	0.0	-68.75	387.80	8.37	-60.38
O=C([O-])C1(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCCO1	REAL300007349090	0	48	0.0	-59.42	375.38	8.12	-51.30
O=C([O-])C1(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCCO1	REAL300007349090	1	48	0.0	-59.64	375.40	8.18	-51.46
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CCSC3)CC2)CCCO1	REAL300007349091	0	49	0.0	-66.20	369.67	7.28	-58.92
C[NH+]1CCN(C(C(=O)NCC2(C(=O)[O-])CCCO2)C2=CC=CC=C2)CC1	REAL300007349114	1	53	0.0	-62.92	403.87	7.00	-55.92
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1(C(=O)[O-])CCCO1	REAL300007349115	0	52	0.0	-58.43	363.22	5.36	-53.07
CC(C(=O)NCC1(C(=O)[O-])CCCO1)[N@H+](C)CC1=CC=CC=C1	REAL300007349118	0	47	0.0	-52.45	365.25	7.70	-44.75
CC(C(=O)NCC1(C(=O)[O-])CCCO1)[N@@H+](C)CC1=CC=CC=C1	REAL300007349118	1	47	0.0	-50.03	365.29	7.70	-42.33
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCCO1	REAL300007349128	0	54	0.0	-62.45	413.96	9.76	-52.69
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCCO1	REAL300007349128	1	54	0.0	-63.67	413.95	9.76	-53.91
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCO2)C=N1	REAL300007349159	0	43	0.0	-70.08	344.25	5.32	-64.76
CCC[NH+](CCC)CCCC(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349170	0	52	0.0	-62.03	393.01	7.91	-54.12
O=C([O-])C1(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CCCO1	REAL300007349171	1	52	0.0	-46.41	398.20	5.64	-40.77
CC[N@H+](C)C(C(=O)NCC1(C(=O)[O-])CCCO1)C1=CC=CC=C1	REAL300007349172	0	47	0.0	-50.37	362.81	7.86	-42.51
CC[N@@H+](C)C(C(=O)NCC1(C(=O)[O-])CCCO1)C1=CC=CC=C1	REAL300007349172	1	47	0.0	-50.74	363.58	7.80	-42.94
CC[NH+](CC)C(C(=O)NCC1(C(=O)[O-])CCCO1)C1=CC=CC=C1	REAL300007349177	0	50	0.0	-47.29	369.85	8.21	-39.08
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CCCO1)C1=CC=C(Cl)C=C1	REAL300007349183	1	44	0.0	-51.50	361.91	7.71	-43.79
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCCO1	REAL300007349197	0	48	0.0	-71.94	373.25	8.34	-63.60
O=C([O-])C1(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCCO1	REAL300007349204	0	51	0.0	-69.52	390.02	9.04	-60.48
CCN1CCC([NH+]2CCC(C(=O)NCC3(C(=O)[O-])CCCO3)CC2)CC1	REAL300007349210	0	59	0.0	-60.32	420.10	6.30	-54.02
CC1C[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCCO3)C=C2)CC(C)O1	REAL300007349217	1	55	0.0	-74.65	423.32	8.07	-66.58
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CCCO1	REAL300007349226	1	52	0.0	-67.24	397.76	8.18	-59.06
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CCCO1	REAL300007349226	1	52	0.0	-67.45	404.73	8.22	-59.23
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCCO1	REAL300007349240	0	51	0.0	-50.48	388.73	8.83	-41.65
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CCCO1	REAL300007349240	1	51	0.0	-51.50	379.51	8.68	-42.82
CC1=C(C(=O)NCC2(C(=O)[O-])CCCO2)C=NN1C1=CC=[NH+]C=C1	REAL300007349242	1	42	0.0	-75.42	346.22	5.59	-69.83
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCCO1	REAL300007349250	0	51	0.0	-72.03	390.00	9.05	-62.98
O=C([O-])C1(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCCO1	REAL300007349262	1	44	0.0	-75.16	353.71	5.79	-69.37
C[NH+](C)CCC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCO2)C=C1	REAL300007349263	0	47	0.0	-76.31	370.93	8.04	-68.27
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCCO1	REAL300007349271	1	49	0.0	-61.03	384.20	7.71	-53.32
O=C([O-])C1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCCO1	REAL300007349271	1	49	0.0	-61.71	384.58	7.73	-53.98
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349277	0	58	0.0	-65.19	434.41	10.51	-54.68
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349277	1	58	0.0	-62.65	427.42	10.24	-52.41
CC(C(=O)NCC1(C(=O)[O-])CCCO1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007349285	0	57	0.0	-52.25	428.54	10.16	-42.09
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349324	0	47	0.0	-55.65	369.43	8.14	-47.51
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349324	1	47	0.0	-55.79	369.43	8.14	-47.65
COCCOCC[N@H+](C)CCC(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349325	0	51	0.0	-58.60	398.45	4.32	-54.28
COCCOCC[N@@H+](C)CCC(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349325	1	51	0.0	-60.41	398.47	4.32	-56.09
C[N@@H+]1CCCC(O)(CC(=O)NCC2(C(=O)[O-])CCCO2)C1	REAL300007349328	0	45	0.0	-55.79	331.04	3.85	-51.94
C[N@H+]1CCCC(O)(CC(=O)NCC2(C(=O)[O-])CCCO2)C1	REAL300007349328	1	45	0.0	-58.50	340.59	4.05	-54.45
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1(C(=O)[O-])CCCO1	REAL300007349336	0	56	0.0	-65.62	424.59	7.84	-57.78
CCCCCC[N@H+](C)CC(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349339	0	49	0.0	-53.27	374.01	7.45	-45.82
CCCCCC[N@@H+](C)CC(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349339	1	49	0.0	-53.17	374.02	7.45	-45.72
C[N@H+](CC(=O)NCC1(C(=O)[O-])CCCO1)C1CCSC1	REAL300007349363	0	42	0.0	-55.55	331.01	5.93	-49.62
C[N@@H+](CC(=O)NCC1(C(=O)[O-])CCCO1)C1CCSC1	REAL300007349363	1	42	0.0	-57.50	330.15	5.95	-51.55
CC(C)[NH+]1CCN(CCC(=O)NCC2(C(=O)[O-])CCCO2)CC1	REAL300007349374	0	52	0.0	-62.69	385.64	4.88	-57.81
CC(C)N1CC[NH+](CCC(=O)NCC2(C(=O)[O-])CCCO2)CC1	REAL300007349374	1	52	0.0	-57.37	381.95	4.67	-52.70
CC(C)[NH+]1CCN(CCCC(=O)NCC2(C(=O)[O-])CCCO2)CC1	REAL300007349375	0	55	0.0	-64.35	402.03	5.31	-59.04
CC(C)N1CC[NH+](CCCC(=O)NCC2(C(=O)[O-])CCCO2)CC1	REAL300007349375	1	55	0.0	-62.02	403.46	5.47	-56.55
C[NH+](C)CCN1C=C(C(=O)NCC2(C(=O)[O-])CCCO2)C=N1	REAL300007349377	0	44	0.0	-74.55	354.76	5.20	-69.35
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3(C(=O)[O-])CCCO3)CC2)=C1	REAL300007349382	0	56	0.0	-62.37	424.66	7.70	-54.67
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1(C(=O)[O-])CCCO1	REAL300007349384	0	53	0.0	-61.38	403.09	7.04	-54.34
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCCO1	REAL300007349388	0	50	0.0	-64.66	386.52	7.11	-57.55
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCCO1	REAL300007349388	1	50	0.0	-63.51	386.27	7.04	-56.47
CC(C(=O)NCC1(C(=O)[O-])CCCO1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007349393	1	48	0.0	-52.02	368.88	8.05	-43.97
CC(C(=O)NCC1(C(=O)[O-])CCCO1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007349393	1	48	0.0	-52.77	365.57	8.26	-44.51
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCC1(C(=O)[O-])CCCO1	REAL300007349421	0	51	0.0	-65.69	395.49	8.91	-56.78
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NCC1(C(=O)[O-])CCCO1	REAL300007349421	1	51	0.0	-65.06	395.45	8.91	-56.15
C[NH+](C)CCN1C=CC(C(=O)NCC2(C(=O)[O-])CCCO2)=N1	REAL300007349433	0	44	0.0	-74.95	354.98	5.20	-69.75
C[NH+](C)CCN1N=CC=C1C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349434	0	44	0.0	-61.61	350.13	5.16	-56.45
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349439	1	45	0.0	-54.11	356.24	6.91	-47.20
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCCO1	REAL300007349453	0	51	0.0	-63.53	397.97	8.95	-54.58
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCCO1	REAL300007349453	1	51	0.0	-63.55	397.80	8.96	-54.59
CC(C[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349458	0	45	0.0	-59.58	341.60	4.42	-55.16
O=C([O-])C1(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCCO1	REAL300007349459	0	52	0.0	-61.24	400.82	6.45	-54.79
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CCCO2)CC1	REAL300007349505	1	51	0.0	-67.43	387.82	7.14	-60.29
O=C([O-])C1(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCCO1	REAL300007349506	0	51	0.0	-57.50	374.97	7.55	-49.95
O=C([O-])C1(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)CCCO1	REAL300007349506	1	51	0.0	-56.40	376.34	7.64	-48.76
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CCCO1	REAL300007349526	0	56	0.0	-62.93	422.68	8.13	-54.80
O=C([O-])C1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CCCO1	REAL300007349526	1	56	0.0	-68.79	423.68	7.64	-61.15
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349533	0	48	0.0	-59.10	351.08	4.79	-54.31
CC(C)[N@@H+]1CCC(C(=O)NCC2(C(=O)[O-])CCCO2)C(C2=CN(C)N=C2)C1	REAL300007349536	0	57	0.0	-61.98	412.93	6.96	-55.02
CC(C)[N@H+]1CCC(C(=O)NCC2(C(=O)[O-])CCCO2)C(C2=CN(C)N=C2)C1	REAL300007349536	1	57	0.0	-56.46	420.16	7.42	-49.04
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2(C(=O)[O-])CCCO2)C=N1	REAL300007349537	0	51	0.0	-66.71	386.71	6.07	-60.64
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2(C(=O)[O-])CCCO2)C=N1	REAL300007349537	1	51	0.0	-66.94	386.79	6.06	-60.88
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3(C(=O)[O-])CCCO3)=C2)CC1	REAL300007349543	0	53	0.0	-69.09	407.14	6.61	-62.48
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCCO3)C=C2)CC1	REAL300007349544	0	53	0.0	-73.92	407.05	6.62	-67.30
CN1CC[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCCO3)C=C2)CC1	REAL300007349544	1	53	0.0	-72.73	406.53	6.49	-66.24
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCO2)C=C1	REAL300007349545	0	54	0.0	-70.00	409.62	8.06	-61.94
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCCO1	REAL300007349647	0	55	0.0	-74.46	421.68	6.35	-68.11
C[NH+](C)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCCO2)=C1	REAL300007349651	0	44	0.0	-72.17	348.45	7.18	-64.99
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCCO1	REAL300007349652	0	51	0.0	-58.93	391.45	8.88	-50.05
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCCO1	REAL300007349652	1	51	0.0	-60.02	391.72	8.90	-51.12
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349708	0	44	0.0	-57.23	341.13	7.41	-49.82
CC[NH+]1CCN(CCC(=O)NCC2(C(=O)[O-])CCCO2)CC1	REAL300007349710	0	49	0.0	-62.98	367.73	4.21	-58.77
CCN1CC[NH+](CCC(=O)NCC2(C(=O)[O-])CCCO2)CC1	REAL300007349710	1	49	0.0	-58.44	369.06	4.35	-54.09
CC(C)C(C(=O)NCC1(C(=O)[O-])CCCO1)[NH+]1CCCCC1	REAL300007349713	0	50	0.0	-46.15	359.31	7.13	-39.02
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CCCO1)C1=CC=CC=C1	REAL300007349714	1	44	0.0	-49.11	344.95	7.19	-41.92
O=C([O-])C1(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCCO1	REAL300007349718	0	49	0.0	-56.21	382.98	5.09	-51.12
O=C([O-])C1(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCCO1	REAL300007349718	1	49	0.0	-55.75	383.51	5.10	-50.65
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1(C(=O)[O-])CCCO1	REAL300007349723	1	45	0.0	-53.60	355.70	6.86	-46.74
C[NH+](C)CC1=C(C(=O)NCC2(C(=O)[O-])CCCO2)OC2=CC=CC=C21	REAL300007349724	0	47	0.0	-65.11	369.56	7.51	-57.60
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2C2CCCC2)CCCO1	REAL300007349728	0	48	0.0	-50.27	357.54	7.32	-42.95
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2C2CCCC2)CCCO1	REAL300007349728	1	48	0.0	-51.09	356.57	7.07	-44.02
CC(C)C(C(=O)NCC1(C(=O)[O-])CCCO1)[NH+]1CC(C)OC(C)C1	REAL300007349752	1	54	0.0	-51.93	392.99	6.90	-45.03
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(C(=O)[O-])CCCO3)=CC=C1N2	REAL300007349779	1	49	0.0	-77.80	383.36	7.61	-70.19
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O=C([O-])C1=NOC2=C1CN(C(=O)C[NH+]1CCC(CO)CC1)CC2	REAL300007355816	1	44	0.0	-58.57	341.37	4.56	-54.01
O=C([O-])C1=NOC2=C1CN(C(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)CC2	REAL300007355918	0	51	0.0	-95.94	387.13	10.47	-85.47
O=C([O-])C1=NOC2=C1CN(C(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)CC2	REAL300007355918	1	51	0.0	-53.54	394.51	10.62	-42.92
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C1	REAL300007356058	0	46	0.0	-58.23	345.54	8.07	-50.16
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C1	REAL300007356058	1	46	0.0	-57.88	341.92	7.89	-49.99
C[N@@H+]1CC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C(C(F)(F)F)C1	REAL300007356059	0	40	0.0	-67.24	315.77	7.28	-59.96
C[N@H+]1CC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C(C(F)(F)F)C1	REAL300007356059	1	40	0.0	-68.23	318.28	6.69	-61.54
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)N1	REAL300007356083	1	41	0.0	-55.57	338.79	6.76	-48.81
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)=C1	REAL300007356594	0	46	0.0	-71.86	367.67	9.37	-62.49
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C=C1	REAL300007356602	0	47	0.0	-67.10	373.72	8.28	-58.82
O=C([O-])C1=NOC2=C1CN(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)CC2	REAL300007356704	0	53	0.0	-65.95	407.37	11.38	-54.57
CC1CN(CC2=CC=C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NO4)C=C2)CCO1	REAL300007356706	0	51	0.0	-67.12	399.25	8.75	-58.37
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NO4)C=C2)CCO1	REAL300007356706	1	51	0.0	-67.78	399.24	8.73	-59.05
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NO4)C=C2)CCO1	REAL300007356706	1	51	0.0	-67.78	399.24	8.73	-59.05
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)CC1	REAL300007356753	0	46	0.0	-64.24	335.41	7.79	-56.45
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NO4)=CN21	REAL300007356757	0	38	0.0	-57.22	323.63	8.49	-48.73
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C1	REAL300007356822	0	49	0.0	-58.25	358.08	8.98	-49.27
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C1	REAL300007356822	1	49	0.0	-59.81	364.49	8.82	-50.99
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C1	REAL300007356823	0	43	0.0	-58.38	319.17	7.56	-50.82
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C1	REAL300007356823	1	43	0.0	-75.96	320.31	7.71	-68.25
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)O1	REAL300007356829	1	40	0.0	-60.97	329.34	7.28	-53.69
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C1	REAL300007356835	0	49	0.0	-90.27	338.87	7.47	-82.80
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C1	REAL300007356835	1	49	0.0	-53.77	345.00	7.53	-46.24
O=C([O-])C1=NOC2=C1CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)CC2	REAL300007356838	1	42	0.0	-50.40	320.10	8.53	-41.87
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC=C3Br)CC2)C1	REAL300007356937	1	44	0.0	-44.87	354.07	9.07	-35.80
CC1=CC=C2C(=C1)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CCN2C1CC1	REAL300007357040	0	53	0.0	-50.50	381.47	10.04	-40.46
CC1=CC=C2C(=C1)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CCN2C1CC1	REAL300007357040	1	53	0.0	-46.27	383.83	9.75	-36.52
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CN=CC=C21	REAL300007357106	0	43	0.0	-46.33	326.77	7.98	-38.35
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CN=CC=C21	REAL300007357106	1	43	0.0	-46.80	326.65	7.99	-38.81
CC1=NC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300007357239	0	45	0.0	-55.49	353.01	8.28	-47.21
CC1=NC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300007357239	1	45	0.0	-53.80	347.57	8.30	-45.50
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC=C(C2=CC=C(F)C=C2)O1	REAL300007357359	0	49	0.0	-49.30	392.23	6.90	-42.40
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC=C(C2=CC=C(F)C=C2)O1	REAL300007357359	1	49	0.0	-49.28	392.28	6.90	-42.38
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCCC23CCOCC3)C1	REAL300007357472	0	52	0.0	-46.55	345.72	6.06	-40.49
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCCC23CCOCC3)C1	REAL300007357472	1	52	0.0	-50.61	352.09	6.68	-43.93
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC[C@@]3(CO)CCCC[C@H]23)C1	REAL300007357586	0	54	0.0	-47.23	361.60	7.09	-40.14
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC[C@@]3(CO)CCCC[C@H]23)C1	REAL300007357586	1	54	0.0	-46.51	361.47	7.22	-39.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC[C@@]3(CO)CCC[C@@H]23)C1	REAL300007357702	0	51	0.0	-48.18	361.61	6.32	-41.86
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC[C@@]3(CO)CCC[C@@H]23)C1	REAL300007357702	1	51	0.0	-48.85	356.17	6.34	-42.51
O=C([O-])C1=C(C2CCCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C2)OC=N1	REAL300007358708	0	56	0.0	-91.21	427.06	9.05	-82.16
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C2)OC=N1	REAL300007359264	0	53	0.0	-56.82	410.26	8.55	-48.27
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C2)OC=N1	REAL300007359264	1	53	0.0	-71.03	402.98	8.09	-62.94
O=C([O-])C1=C(C2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)OC=N1	REAL300007360094	0	50	0.0	-84.42	375.71	6.74	-77.68
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)OC=N1	REAL300007360119	0	47	0.0	-74.71	359.45	6.25	-68.46
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@H+]3C3CC3)C2)OC=N1	REAL300007360119	1	47	0.0	-74.73	355.39	6.15	-68.58
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C4=C(C(=O)[O-])N=CO4)C3)CN21	REAL300007360125	1	48	0.0	-76.72	373.92	6.57	-70.15
O=C([O-])C1=C(C2CCCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C2)OC=N1	REAL300007360126	0	56	0.0	-83.70	427.55	8.97	-74.73
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360204	0	46	0.0	-74.24	335.89	5.00	-69.24
C[N@H+]1CCCCC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360204	1	46	0.0	-70.82	345.83	5.48	-65.34
CC(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)N1CC[NH+](C)CC1	REAL300007360205	1	51	0.0	-80.70	373.82	3.48	-77.22
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360245	0	46	0.0	-76.18	346.94	5.55	-70.63
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360245	1	46	0.0	-82.06	338.93	5.18	-76.88
C[NH+]1CCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007360331	0	46	0.0	-85.73	350.50	5.53	-80.20
O=C([O-])C1=C(C2CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)OC=N1	REAL300007360361	0	41	0.0	-87.91	341.02	7.29	-80.62
C[NH+](C)CC1(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CCCCC1	REAL300007360395	0	55	0.0	-93.56	381.59	7.38	-86.18
C[N@H+](CCC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1CCCCC1	REAL300007360400	0	55	0.0	-83.38	404.93	7.60	-75.78
C[N@@H+](CCC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1CCCCC1	REAL300007360400	1	55	0.0	-84.00	404.95	7.60	-76.40
C[N@@H+]1CCCC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360416	0	43	0.0	-75.58	325.20	4.48	-71.10
C[N@H+]1CCCC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360416	1	43	0.0	-74.56	328.34	4.72	-69.84
C[NH+]1CCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007360471	0	46	0.0	-85.73	350.50	5.53	-80.20
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C2)OC=N1	REAL300007360475	0	49	0.0	-89.79	394.96	6.25	-83.54
O=C([O-])C1=C(C2CCCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C2)OC=N1	REAL300007360494	0	56	0.0	-78.74	400.01	8.01	-70.73
O=C([O-])C1=C(C2CCCN(C(=O)C3CCCC[N@H+]3C3CCCC3)C2)OC=N1	REAL300007360494	1	56	0.0	-75.83	397.58	7.55	-68.28
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C2)OC=N1	REAL300007360495	0	57	0.0	-81.58	408.27	5.87	-75.71
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360531	1	47	0.0	-81.11	377.46	6.90	-74.21
O=C([O-])C1=C(C2CCCN(C(=O)CCCC[NH+]3CCOCC3)C2)OC=N1	REAL300007360532	1	53	0.0	-88.15	404.80	5.60	-82.55
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C=C1)C(C)C	REAL300007360535	0	58	0.0	-91.00	428.44	8.55	-82.45
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C=C1)C(C)C	REAL300007360535	1	58	0.0	-90.87	423.19	8.30	-82.57
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360538	0	43	0.0	-72.62	324.92	4.51	-68.11
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360538	1	43	0.0	-76.72	328.46	4.79	-71.93
C[NH+](C)C1(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007360547	0	43	0.0	-86.40	328.54	4.53	-81.87
O=C([O-])C1=C(C2CCCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C2)OC=N1	REAL300007360592	0	53	0.0	-84.12	407.33	8.28	-75.84
O=C([O-])C1=C(C2CCCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C2)OC=N1	REAL300007360592	1	53	0.0	-83.68	407.48	8.23	-75.45
O=C([O-])C1=C(C2CCCN(C(=O)C3CC[NH+](C4CCSC4)CC3)C2)OC=N1	REAL300007360593	0	54	0.0	-90.36	406.09	7.51	-82.85
O=C([O-])C1=C(C2CCCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)OC=N1	REAL300007360616	0	57	0.0	-84.67	399.41	5.68	-78.99
CCC(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+](CC)CC	REAL300007360620	0	51	0.0	-72.16	366.59	6.14	-66.02
CC(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300007360622	0	52	0.0	-81.43	399.81	7.90	-73.53
CC(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007360622	1	52	0.0	-80.26	399.86	7.92	-72.34
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C=N1	REAL300007360652	0	48	0.0	-66.58	380.75	5.31	-61.27
CCC[NH+](CCC)CCCC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360658	0	57	0.0	-83.30	429.08	8.22	-75.08
CC[N@H+](C)C(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1=CC=CC=C1	REAL300007360659	0	52	0.0	-70.42	392.47	7.80	-62.62
CC[N@@H+](C)C(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1=CC=CC=C1	REAL300007360659	1	52	0.0	-69.85	394.71	7.84	-62.01
C[N@@H+]1CCOC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007360661	1	44	0.0	-91.82	340.42	4.24	-87.58
C[N@H+]1CCOC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007360661	1	44	0.0	-71.16	340.07	4.23	-66.93
CC[NH+](CC)C(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1=CC=CC=C1	REAL300007360663	0	55	0.0	-71.49	404.73	8.14	-63.35
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360672	1	47	0.0	-74.44	372.17	6.70	-67.74
C[NH+](C)C(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1=CC=C(Cl)C=C1	REAL300007360677	1	49	0.0	-74.39	391.38	7.68	-66.71
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C2)OC=N1	REAL300007360690	0	53	0.0	-95.08	409.32	8.30	-86.78
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C2)OC=N1	REAL300007360697	0	56	0.0	-82.51	426.73	9.01	-73.50
C[NH+](C)CC1(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007360701	0	46	0.0	-87.34	353.62	5.42	-81.92
C[NH+](C)CCCCC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360709	0	48	0.0	-86.37	371.86	6.13	-80.24
CC(C)C(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+](C)C	REAL300007360718	0	48	0.0	-82.13	346.31	5.35	-76.78
O=C([O-])C1=C(C2CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C2)OC=N1	REAL300007360731	0	56	0.0	-80.38	415.65	8.75	-71.63
O=C([O-])C1=C(C2CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C2)OC=N1	REAL300007360731	1	56	0.0	-73.11	412.46	8.56	-64.55
CC1=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300007360733	1	47	0.0	-90.03	382.08	5.52	-84.51
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C2)OC=N1	REAL300007360741	0	56	0.0	-94.41	426.66	9.02	-85.39
O=C([O-])C1=C(C2CCCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C2)OC=N1	REAL300007360754	1	49	0.0	-76.84	387.89	6.39	-70.45
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C=C1	REAL300007360755	0	52	0.0	-95.94	407.57	8.01	-87.93
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360766	1	45	0.0	-74.34	359.59	4.61	-69.73
O=C([O-])C1=C(C2CCCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)C2)OC=N1	REAL300007360768	1	54	0.0	-92.48	409.13	7.60	-84.88
O=C([O-])C1=C(C2CCCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)C2)OC=N1	REAL300007360768	1	54	0.0	-92.56	409.20	7.61	-84.95
CCC[N@H+](C)CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360777	0	45	0.0	-78.58	345.72	5.36	-73.22
CCC[N@@H+](C)CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360777	1	45	0.0	-78.41	345.72	5.35	-73.06
C[N@H+](CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1CCC1	REAL300007360799	0	46	0.0	-76.29	352.60	5.93	-70.36
C[N@@H+](CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1CCC1	REAL300007360799	1	46	0.0	-75.33	352.64	5.93	-69.40
CC(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+]1CCSCC1	REAL300007360823	1	47	0.0	-79.90	363.44	5.88	-74.02
C[N@H+](CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)CC(C)(C)C	REAL300007360827	0	51	0.0	-78.59	374.33	6.34	-72.25
C[N@@H+](CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)CC(C)(C)C	REAL300007360827	1	51	0.0	-77.83	376.27	6.50	-71.33
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360829	0	52	0.0	-81.49	405.63	8.39	-73.10
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360829	1	52	0.0	-81.61	405.63	8.39	-73.22
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360830	0	56	0.0	-82.43	434.66	4.64	-77.79
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360830	1	56	0.0	-85.37	434.71	4.63	-80.74
CC[C@@H](C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+](C)C	REAL300007360834	0	45	0.0	-74.57	334.18	4.94	-69.63
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007360836	0	50	0.0	-81.81	373.97	4.43	-77.38
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007360836	1	50	0.0	-82.10	364.24	4.27	-77.83
O=C([O-])C1=C(C2CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)C2)OC=N1	REAL300007360857	1	55	0.0	-85.19	410.67	7.00	-78.19
O=C([O-])C1=C(C2CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)C2)OC=N1	REAL300007360857	1	55	0.0	-81.56	418.62	7.35	-74.21
O=C([O-])C1=C(C2CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)C2)OC=N1	REAL300007360858	1	55	0.0	-72.72	417.50	7.19	-65.53
O=C([O-])C1=C(C2CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)C2)OC=N1	REAL300007360858	1	55	0.0	-82.83	418.76	7.34	-75.49
CCCCCC[N@H+](C)CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360860	0	54	0.0	-79.83	410.21	7.70	-72.13
CCCCCC[N@@H+](C)CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360860	1	54	0.0	-79.70	410.22	7.71	-71.99
O=C([O-])C1=C(C2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)OC=N1	REAL300007360870	0	47	0.0	-75.90	344.19	5.29	-70.61
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)OC=N1	REAL300007360878	1	41	0.0	-88.20	341.13	7.33	-80.87
C[N@H+](CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1CCSC1	REAL300007360891	0	47	0.0	-83.07	365.88	6.21	-76.86
C[N@@H+](CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1CCSC1	REAL300007360891	1	47	0.0	-83.12	365.82	6.17	-76.95
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007360908	0	57	0.0	-84.92	421.84	5.17	-79.75
CC(C)N1CC[NH+](CCC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007360908	1	57	0.0	-83.27	418.34	4.97	-78.30
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007360909	0	60	0.0	-81.37	443.38	5.98	-75.39
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007360909	1	60	0.0	-84.38	440.16	5.80	-78.58
O=C([O-])C1=C(C2CCCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)OC=N1	REAL300007360910	0	50	0.0	-73.47	359.49	5.97	-67.50
O=C([O-])C1=C(C2CCCN(C(=O)C3CCCC4CCC[N@H+]43)C2)OC=N1	REAL300007360910	1	50	0.0	-83.20	357.68	6.39	-76.81
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C=N1	REAL300007360912	0	49	0.0	-78.99	387.80	5.13	-73.86
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C2)OC=N1	REAL300007360923	0	55	0.0	-82.51	421.13	7.24	-75.27
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C2)OC=N1	REAL300007360923	1	55	0.0	-85.46	422.10	7.32	-78.14
CC(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007360928	1	53	0.0	-57.99	400.96	8.27	-49.72
CC(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007360928	1	53	0.0	-79.94	400.69	8.27	-71.67
CCC(CC)C(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+]1CCOCC1	REAL300007360946	1	59	0.0	-71.44	409.91	6.27	-65.17
CCCC(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+](C)C	REAL300007360947	0	48	0.0	-75.91	357.81	5.75	-70.16
O=C([O-])C1=C(C2CCCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C2)OC=N1	REAL300007360948	0	56	0.0	-88.44	431.16	9.23	-79.21
O=C([O-])C1=C(C2CCCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C2)OC=N1	REAL300007360948	1	56	0.0	-88.66	432.16	9.26	-79.40
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)=N1	REAL300007360963	0	49	0.0	-101.37	388.32	5.80	-95.57
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360964	0	49	0.0	-71.14	384.30	5.15	-65.99
C[C@@H]1[C@H](C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC[N@@H+]1C	REAL300007360967	0	46	0.0	-81.49	339.99	5.20	-76.29
C[C@@H]1[C@H](C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC[N@H+]1C	REAL300007360967	1	46	0.0	-88.78	348.79	5.36	-83.42
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360969	1	50	0.0	-76.89	392.44	7.22	-69.67
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC[N@@H+]1C	REAL300007360972	0	49	0.0	-86.05	359.17	5.48	-80.57
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC[N@H+]1C	REAL300007360972	1	49	0.0	-81.60	363.88	5.79	-75.81
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)=NN1	REAL300007360974	1	50	0.0	-77.31	389.43	5.34	-71.97
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)=NN1	REAL300007360974	1	50	0.0	-72.38	382.29	4.78	-67.60
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360975	1	45	0.0	-74.08	351.68	5.69	-68.39
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360975	1	45	0.0	-75.69	355.03	6.07	-69.62
CC1C[N@H+](C)CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)O1	REAL300007360981	1	47	0.0	-98.45	360.54	4.92	-93.53
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)O1	REAL300007360981	1	47	0.0	-99.07	353.31	4.51	-94.56
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C2)OC=N1	REAL300007360988	1	52	0.0	-79.42	399.84	6.47	-72.95
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C2)OC=N1	REAL300007360988	1	52	0.0	-73.49	398.80	6.21	-67.28
O=C([O-])C1=C(C2CCCN(C(=O)C[NH+]3CCCC3)C2)OC=N1	REAL300007360991	0	43	0.0	-77.81	330.69	5.07	-72.74
CC1=[NH+]C=CN1CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360993	1	41	0.0	-76.62	334.88	5.52	-71.10
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007360995	0	50	0.0	-83.26	375.41	4.48	-78.78
CC1CC[NH+](CC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007361014	0	49	0.0	-79.09	369.11	6.45	-72.64
CC[N@@H+]1CCOC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007361025	1	47	0.0	-73.85	350.43	4.69	-69.16
CC[N@H+]1CCOC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007361025	1	47	0.0	-87.95	350.25	4.67	-83.28
O=C([O-])C1=C(C2CCCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C2)OC=N1	REAL300007361062	0	56	0.0	-81.09	408.79	7.72	-73.37
O=C([O-])C1=C(C2CCCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C2)OC=N1	REAL300007361062	1	56	0.0	-83.71	408.27	7.70	-76.01
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361068	0	49	0.0	-84.78	373.91	6.50	-78.28
C[N@H+]1CCCC1CCC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361068	1	49	0.0	-80.78	368.47	6.04	-74.74
O=C([O-])C1=C(C2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)OC=N1	REAL300007361080	0	50	0.0	-98.23	354.09	5.61	-92.62
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361082	0	47	0.0	-72.97	345.72	1.30	-71.67
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361082	1	47	0.0	-79.37	345.22	1.32	-78.05
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)OC=N1	REAL300007361083	0	50	0.0	-74.42	370.45	6.73	-67.69
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC4CCCC[N@H+]43)C2)OC=N1	REAL300007361083	1	50	0.0	-73.25	366.68	6.44	-66.81
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361090	0	53	0.0	-82.09	378.28	4.54	-77.55
CC[NH+](CC)CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361106	0	45	0.0	-77.32	338.12	5.03	-72.29
CC(C)[NH+]1CCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007361108	0	52	0.0	-85.05	383.87	6.66	-78.39
O=C([O-])C1=C(C2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)OC=N1	REAL300007361189	0	44	0.0	-63.16	330.64	4.20	-58.96
CCC(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+](C)C	REAL300007361192	0	45	0.0	-76.35	336.74	4.96	-71.39
O=C([O-])C1=C(C2CCCN(C(=O)C34CC[N@H+](C3)CCC4)C2)OC=N1	REAL300007361200	0	47	0.0	-84.14	340.05	4.80	-79.34
O=C([O-])C1=C(C2CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)OC=N1	REAL300007361200	1	47	0.0	-84.61	339.31	4.78	-79.83
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361245	0	49	0.0	-75.03	363.58	5.96	-69.07
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)=C1	REAL300007361246	0	49	0.0	-83.20	385.22	7.17	-76.03
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C2)OC=N1	REAL300007361247	0	56	0.0	-84.90	427.61	9.07	-75.83
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C2)OC=N1	REAL300007361247	1	56	0.0	-91.44	418.06	8.94	-82.50
C[NH+](C)C1(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CCC1	REAL300007361285	0	46	0.0	-78.90	331.43	4.81	-74.09
C#CC[NH+]1CCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007361313	0	48	0.0	-87.94	374.73	6.67	-81.27
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361315	0	52	0.0	-81.00	378.47	6.58	-74.42
CCC[N@H+]1CCCCC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361315	1	52	0.0	-79.78	378.25	6.58	-73.20
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361316	0	49	0.0	-61.20	381.83	7.17	-54.03
CC[NH+]1CCN(CCC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007361318	0	54	0.0	-86.46	404.59	4.61	-81.85
CCN1CC[NH+](CCC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007361318	1	54	0.0	-83.41	405.10	4.65	-78.76
CC(C)[N@H+](C)CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361319	0	45	0.0	-76.26	340.91	5.14	-71.12
CC(C)[N@@H+](C)CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361319	1	45	0.0	-75.43	340.95	5.16	-70.27
CC(C)C(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+]1CCCCC1	REAL300007361320	0	55	0.0	-79.62	395.19	7.30	-72.32
C[NH+](C)C(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1=CC=CC=C1	REAL300007361321	1	49	0.0	-79.02	377.70	7.19	-71.83
O=C([O-])C1=C(C2CCCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C2)OC=N1	REAL300007361325	0	54	0.0	-86.36	417.52	5.28	-81.08
O=C([O-])C1=C(C2CCCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C2)OC=N1	REAL300007361325	1	54	0.0	-76.80	413.62	5.39	-71.41
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361330	1	50	0.0	-75.58	391.94	7.16	-68.42
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)OC2=CC=CC=C21	REAL300007361332	0	52	0.0	-66.35	409.02	7.86	-58.49
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)OC=N1	REAL300007361338	0	53	0.0	-76.79	385.81	7.30	-69.49
O=C([O-])C1=C(C2CCCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)OC=N1	REAL300007361338	1	53	0.0	-79.79	376.79	7.18	-72.61
CC[N@H+](CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1CC1	REAL300007361340	0	46	0.0	-74.87	355.11	5.99	-68.88
CC[N@@H+](CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)C1CC1	REAL300007361340	1	46	0.0	-77.81	347.87	5.87	-71.94
CC(C)C(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+]1CC(C)OC(C)C1	REAL300007361367	1	59	0.0	-76.40	407.70	5.85	-70.55
CC(C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+]1CCCCCC1	REAL300007361368	0	52	0.0	-75.43	373.76	6.29	-69.14
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361372	0	43	0.0	-74.90	328.74	4.80	-70.10
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361372	1	43	0.0	-80.03	324.99	4.50	-75.53
CC(C)(C)[NH2+]CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361455	0	45	0.0	-76.80	345.49	3.68	-73.12
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)O1	REAL300007361457	0	52	0.0	-63.03	403.41	7.04	-55.99
O=C([O-])C1=C(C2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)OC=N1	REAL300007361458	0	52	0.0	-84.66	397.82	7.31	-77.35
CC1=CC=C(N2CCC(C(=O)N3CCCC(C4=C(C(=O)[O-])N=CO4)C3)CC2)[NH+]=C1	REAL300007361460	1	55	0.0	-84.87	419.89	6.93	-77.94
C[N@H+](CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)CC1=CC=CC=C1	REAL300007361461	1	49	0.0	-83.16	383.18	7.55	-75.61
C[N@@H+](CC(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)CC1=CC=CC=C1	REAL300007361461	1	49	0.0	-82.73	383.14	7.54	-75.19
CC(C)[C@@H](C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1)[NH+](C)C	REAL300007361472	0	48	0.0	-81.86	345.64	5.45	-76.41
O=C([O-])C1=C(C2CCCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)OC=N1	REAL300007361490	1	44	0.0	-86.90	363.94	5.10	-81.80
C[NH+](C)CC1=CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)=NO1	REAL300007361517	1	45	0.0	-78.80	361.40	5.19	-73.61
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361521	0	56	0.0	-79.88	426.57	9.05	-70.83
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361521	1	56	0.0	-83.81	430.55	8.98	-74.83
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361534	0	49	0.0	-75.13	361.02	5.86	-69.27
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361534	1	49	0.0	-75.65	353.78	6.05	-69.60
C[NH+]1CCC(OCC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007361557	0	50	0.0	-91.70	386.44	6.12	-85.58
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C2)OC=N1	REAL300007361561	0	53	0.0	-93.28	408.75	7.57	-85.71
CCC[N@@H+]1CCCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007361744	0	52	0.0	-60.13	380.51	6.99	-53.14
CCC[N@H+]1CCCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007361744	1	52	0.0	-80.87	389.66	6.90	-73.97
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361775	0	52	0.0	-75.46	386.62	6.84	-68.62
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007361775	1	52	0.0	-79.93	378.26	7.36	-72.57
O=C([O-])C1=C(C2CCCN(C(=O)C[NH+]3CCC(CO)CC3)C2)OC=N1	REAL300007361776	0	50	0.0	-79.53	379.94	3.13	-76.40
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007361999	0	52	0.0	-60.76	384.78	6.66	-54.10
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007361999	1	52	0.0	-80.49	384.83	6.68	-73.81
C[N@@H+]1CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C(C(F)(F)F)C1	REAL300007362000	0	46	0.0	-97.02	367.27	5.50	-91.52
C[N@H+]1CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C(C(F)(F)F)C1	REAL300007362000	1	46	0.0	-85.77	370.09	5.68	-80.09
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)N1	REAL300007362026	1	47	0.0	-76.55	377.67	5.32	-71.23
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)=C1	REAL300007362505	0	52	0.0	-86.93	406.12	7.94	-78.99
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C=C1	REAL300007362512	0	53	0.0	-94.41	414.01	6.92	-87.49
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007362649	0	46	0.0	-80.01	355.48	5.68	-74.33
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)CC1	REAL300007362653	0	52	0.0	-81.40	375.38	6.42	-74.98
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(C4=C(C(=O)[O-])N=CO4)C3)=CN21	REAL300007362657	0	44	0.0	-84.17	362.65	7.11	-77.06
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007362718	0	55	0.0	-61.42	407.02	7.56	-53.86
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007362718	1	55	0.0	-80.17	404.52	7.46	-72.71
CC[N@@H+]1CCCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007362719	0	49	0.0	-83.79	368.57	6.16	-77.63
CC[N@H+]1CCCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007362719	1	49	0.0	-83.78	368.59	6.17	-77.61
C[N@@H+]1CCCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007362724	0	46	0.0	-86.15	350.91	5.51	-80.64
C[N@H+]1CCCC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007362724	1	46	0.0	-69.95	340.56	5.36	-64.59
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)O1	REAL300007362726	1	46	0.0	-93.51	367.10	5.70	-87.81
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007362732	0	55	0.0	-85.76	379.28	6.10	-79.66
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C1	REAL300007362732	1	55	0.0	-87.70	387.72	6.59	-81.11
O=C([O-])C1=C(C2CCCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)OC=N1	REAL300007362735	1	48	0.0	-82.05	360.60	6.88	-75.17
CC(CCC(F)(F)F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007362780	1	42	0.0	-49.53	331.53	7.36	-42.17
CN(CCC(O)C1=CC=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007362935	0	47	0.0	-48.40	376.95	6.87	-41.53
CN(CCC(O)C1=CC=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007362935	1	47	0.0	-48.77	376.66	6.92	-41.85
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007363050	1	49	0.0	-51.60	385.53	10.43	-41.17
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007363050	1	49	0.0	-53.11	380.81	10.45	-42.66
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)(C)C1O	REAL300007363121	0	50	0.0	-43.26	350.48	5.69	-37.57
CC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)(C)C1O	REAL300007363121	1	50	0.0	-46.32	356.75	6.12	-40.20
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007364230	0	54	0.0	-62.73	395.80	10.43	-52.30
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300007365555	0	48	0.0	-57.88	344.29	8.04	-49.84
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])OCC3(C)C)CN12	REAL300007365580	1	46	0.0	-53.53	343.87	7.89	-45.64
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C(=O)[O-])OCC3(C)C)CC2)=CS1	REAL300007365641	1	53	0.0	-62.28	403.42	8.45	-53.83
CC(C(=O)N1CC(C(=O)[O-])OCC1(C)C)N1CC[NH+](C)CC1	REAL300007365642	1	49	0.0	-62.94	353.10	5.28	-57.66
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])OCC2(C)C)C=C1	REAL300007365712	0	57	0.0	-66.86	431.89	10.19	-56.67
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=C1	REAL300007365717	0	57	0.0	-70.00	431.07	12.14	-57.86
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=C1	REAL300007365717	1	57	0.0	-70.43	430.75	12.13	-58.30
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300007365769	0	39	0.0	-62.01	305.64	8.50	-53.51
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])OCC2(C)C)CCCCC1	REAL300007365794	0	53	0.0	-56.24	352.66	8.48	-47.76
C[N@H+](CCC(=O)N1CC(C(=O)[O-])OCC1(C)C)C1CCCCC1	REAL300007365797	0	53	0.0	-57.40	376.35	9.01	-48.39
C[N@@H+](CCC(=O)N1CC(C(=O)[O-])OCC1(C)C)C1CCCCC1	REAL300007365797	1	53	0.0	-57.57	376.46	9.03	-48.54
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007365858	0	47	0.0	-63.72	364.92	7.66	-56.06
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007365874	0	55	0.0	-59.08	379.39	7.31	-51.77
CC1=[NH+]C=CN1CCCC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007365902	1	45	0.0	-57.81	348.95	8.36	-49.45
CC1(C)COC(C(=O)[O-])CN1C(=O)CCCC[NH+]1CCOCC1	REAL300007365903	1	51	0.0	-63.99	376.24	7.04	-56.95
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C=C1)C(C)C	REAL300007365904	0	56	0.0	-61.68	394.27	9.81	-51.87
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C=C1)C(C)C	REAL300007365904	1	56	0.0	-63.03	393.58	9.89	-53.14
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007365922	0	51	0.0	-59.68	378.12	9.66	-50.02
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007365922	1	51	0.0	-60.06	380.16	9.78	-50.28
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007365923	0	52	0.0	-65.62	376.37	8.86	-56.76
CC1(C)COC(C(=O)[O-])CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007365951	0	55	0.0	-58.30	374.68	7.29	-51.01
CCC(C(=O)N1CC(C(=O)[O-])OCC1(C)C)[NH+](CC)CC	REAL300007365955	0	49	0.0	-50.56	340.56	7.57	-42.99
CC(C(=O)N1CC(C(=O)[O-])OCC1(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300007365957	0	50	0.0	-52.99	371.22	9.33	-43.66
CC(C(=O)N1CC(C(=O)[O-])OCC1(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300007365957	1	50	0.0	-53.23	371.35	9.37	-43.86
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300007365965	0	57	0.0	-58.92	411.33	11.40	-47.52
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300007365965	1	57	0.0	-62.08	418.49	11.21	-50.87
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C=N1	REAL300007365981	0	46	0.0	-65.91	349.48	6.57	-59.34
CCC[NH+](CCC)CCCC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007365988	0	55	0.0	-60.13	399.87	9.60	-50.53
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007365996	1	45	0.0	-52.06	343.63	8.13	-43.93
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007366009	0	51	0.0	-63.85	378.58	9.66	-54.19
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007366014	0	54	0.0	-65.75	395.81	10.39	-55.36
CCN1CCC([NH+]2CCC(C(=O)N3CC(C(=O)[O-])OCC3(C)C)CC2)CC1	REAL300007366020	0	62	0.0	-58.69	428.46	8.02	-50.67
CC1C[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OCC3(C)C)C=C2)CC(C)O1	REAL300007366027	1	58	0.0	-65.87	428.61	9.39	-56.48
CC1(C)COC(C(=O)[O-])CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300007366038	1	55	0.0	-64.82	405.48	9.79	-55.03
CC1(C)COC(C(=O)[O-])CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300007366038	1	55	0.0	-64.78	405.65	9.78	-55.00
CC1=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300007366054	1	45	0.0	-73.69	350.55	6.95	-66.74
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007366057	0	54	0.0	-65.29	395.33	10.37	-54.92
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007366068	1	47	0.0	-72.58	358.24	7.76	-64.82
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C=C1	REAL300007366069	0	50	0.0	-67.28	376.27	9.35	-57.93
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366074	1	43	0.0	-49.71	330.14	5.95	-43.76
CC(C(=O)N1CC(C(=O)[O-])OCC1(C)C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300007366085	0	60	0.0	-53.67	427.11	11.54	-42.13
CC(C(=O)N1CC(C(=O)[O-])OCC1(C)C)[NH+]1CCSCC1	REAL300007366114	1	45	0.0	-54.75	328.88	7.06	-47.69
C[N@H+](CC(=O)N1CC(C(=O)[O-])OCC1(C)C)CC(C)(C)C	REAL300007366120	0	49	0.0	-54.11	345.22	7.78	-46.33
C[N@@H+](CC(=O)N1CC(C(=O)[O-])OCC1(C)C)CC(C)(C)C	REAL300007366120	1	49	0.0	-53.50	348.14	7.96	-45.54
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366122	0	50	0.0	-59.01	377.20	9.81	-49.20
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366122	1	50	0.0	-59.17	377.11	9.83	-49.34
COCCOCC[N@H+](C)CCC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366123	0	54	0.0	-59.37	406.13	6.06	-53.31
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366123	1	54	0.0	-60.13	406.05	6.07	-54.06
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])OCC2(C)C)C1	REAL300007366126	0	48	0.0	-58.59	345.52	5.71	-52.88
C[N@H+]1CCCC(O)(CC(=O)N2CC(C(=O)[O-])OCC2(C)C)C1	REAL300007366126	1	48	0.0	-59.66	335.66	5.52	-54.14
CC1(C)COC(C(=O)[O-])CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007366133	0	59	0.0	-64.61	432.27	9.59	-55.02
CCCCCC[N@H+](C)CC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366135	0	52	0.0	-56.00	381.69	9.14	-46.86
CCCCCC[N@@H+](C)CC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366135	1	52	0.0	-55.86	381.79	9.13	-46.73
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300007366145	1	39	0.0	-62.25	305.46	8.53	-53.72
C[N@H+](CC(=O)N1CC(C(=O)[O-])OCC1(C)C)C1CCSC1	REAL300007366161	0	45	0.0	-58.69	337.22	7.63	-51.06
C[N@@H+](CC(=O)N1CC(C(=O)[O-])OCC1(C)C)C1CCSC1	REAL300007366161	1	45	0.0	-58.17	337.31	7.63	-50.54
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])OCC2(C)C)CC1	REAL300007366175	0	55	0.0	-58.72	388.22	6.24	-52.48
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(=O)[O-])OCC2(C)C)CC1	REAL300007366176	0	58	0.0	-60.93	414.72	7.42	-53.51
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(=O)[O-])OCC2(C)C)CC1	REAL300007366176	1	58	0.0	-60.84	411.65	7.26	-53.58
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300007366177	0	48	0.0	-50.80	334.32	7.86	-42.94
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300007366177	1	48	0.0	-51.52	331.47	7.46	-44.06
C[NH+](C)CCN1C=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C=N1	REAL300007366179	0	47	0.0	-71.84	358.79	6.58	-65.26
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C(=O)[O-])OCC3(C)C)CC2)=C1	REAL300007366182	0	59	0.0	-62.11	432.25	9.43	-52.68
CC1(C)COC(C(=O)[O-])CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300007366184	0	56	0.0	-62.14	410.85	8.77	-53.37
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300007366186	0	53	0.0	-62.60	384.24	8.81	-53.79
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300007366186	1	53	0.0	-62.84	384.05	8.76	-54.08
CC(C(=O)N1CC(C(=O)[O-])OCC1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007366191	1	51	0.0	-53.35	372.37	9.69	-43.66
CC(C(=O)N1CC(C(=O)[O-])OCC1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300007366191	1	51	0.0	-53.50	369.97	9.63	-43.87
CC(C(=O)N1CC(C(=O)[O-])OCC1(C)C)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300007366193	1	56	0.0	-58.28	411.18	8.55	-49.73
CC1(C)COC(C(=O)[O-])CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007366214	0	54	0.0	-62.94	402.71	10.65	-52.29
CC1(C)COC(C(=O)[O-])CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007366214	1	54	0.0	-63.16	402.39	10.67	-52.49
C[NH+](C)CCN1C=CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=N1	REAL300007366227	0	47	0.0	-63.40	359.50	7.18	-56.22
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366228	0	47	0.0	-64.15	354.74	6.57	-57.58
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366229	1	48	0.0	-53.02	363.81	8.64	-44.38
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=NN1	REAL300007366234	1	48	0.0	-69.85	360.57	6.72	-63.13
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=NN1	REAL300007366234	1	48	0.0	-70.08	356.13	6.24	-63.84
CC1C[N@H+](C)CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)O1	REAL300007366239	1	45	0.0	-55.32	325.96	6.24	-49.08
CC1C[N@@H+](C)CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)O1	REAL300007366239	1	45	0.0	-56.21	325.44	5.83	-50.38
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300007366243	0	54	0.0	-64.91	402.35	10.45	-54.46
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300007366243	1	54	0.0	-60.53	395.64	10.63	-49.90
CC(C[NH+]1CCOCC1)C(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366248	1	48	0.0	-59.16	347.20	5.92	-53.24
CC1(C)COC(C(=O)[O-])CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300007366249	0	55	0.0	-61.54	408.62	8.19	-53.35
CC[N@@H+]1CCOC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C1	REAL300007366268	1	45	0.0	-53.54	321.46	5.94	-47.60
CC[N@H+]1CCOC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C1	REAL300007366268	1	45	0.0	-51.38	321.88	6.00	-45.38
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007366294	0	54	0.0	-56.64	383.03	9.26	-47.38
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007366294	1	54	0.0	-56.96	378.22	9.08	-47.88
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300007366310	0	48	0.0	-48.87	345.22	8.16	-40.71
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300007366310	1	48	0.0	-49.14	342.88	8.18	-40.96
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C(=O)[O-])OCC3(C)C)=C2)CC1	REAL300007366324	0	56	0.0	-66.49	412.05	7.92	-58.57
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])OCC3(C)C)C=C2)CC1	REAL300007366325	0	56	0.0	-68.81	412.59	7.95	-60.86
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OCC3(C)C)C=C2)CC1	REAL300007366325	1	56	0.0	-65.90	411.85	7.81	-58.09
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C=C1	REAL300007366326	0	57	0.0	-65.33	418.80	9.65	-55.68
CC(C)[NH+]1CCC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)CC1	REAL300007366333	0	50	0.0	-57.38	353.79	8.03	-49.35
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300007366423	0	58	0.0	-66.05	427.01	7.67	-58.38
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=C1	REAL300007366427	0	47	0.0	-68.04	353.43	8.49	-59.55
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007366428	0	54	0.0	-58.23	388.80	10.54	-47.69
CC1(C)COC(C(=O)[O-])CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007366428	1	54	0.0	-60.00	396.62	10.38	-49.62
C#CC[NH+]1CCC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)CC1	REAL300007366476	0	46	0.0	-61.60	344.14	7.99	-53.61
CC[NH+]1CCN(CCC(=O)N2CC(C(=O)[O-])OCC2(C)C)CC1	REAL300007366479	0	52	0.0	-59.98	375.42	5.96	-54.02
CCN1CC[NH+](CCC(=O)N2CC(C(=O)[O-])OCC2(C)C)CC1	REAL300007366479	1	52	0.0	-58.04	376.67	6.09	-51.95
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366486	1	48	0.0	-52.90	363.28	8.59	-44.31
CC(C(=O)N1CC(C(=O)[O-])OCC1(C)C)[NH+]1CCCCCC1	REAL300007366514	0	50	0.0	-51.62	341.15	7.66	-43.96
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])OCC3(C)C)=CC=C1N2	REAL300007366545	1	52	0.0	-73.60	388.31	8.89	-64.71
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])OCC3(C)C)=CC=C1N2	REAL300007366545	1	52	0.0	-73.63	389.01	8.90	-64.73
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)O1	REAL300007366589	0	50	0.0	-54.79	375.00	8.63	-46.16
CC1(C)COC(C(=O)[O-])CN1C(=O)CCCC[NH+]1CCCC1	REAL300007366590	0	50	0.0	-60.99	369.38	8.74	-52.25
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])OCC3(C)C)CC2)[NH+]=C1	REAL300007366592	1	53	0.0	-56.50	388.28	8.26	-48.24
C[N@H+](CC(=O)N1CC(C(=O)[O-])OCC1(C)C)CC1=CC=CC=C1	REAL300007366593	1	47	0.0	-57.11	354.63	8.99	-48.12
C[N@@H+](CC(=O)N1CC(C(=O)[O-])OCC1(C)C)CC1=CC=CC=C1	REAL300007366593	1	47	0.0	-56.83	354.77	8.96	-47.87
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])OCC3(C)C)C=C2)CC1	REAL300007366597	0	59	0.0	-64.18	421.80	8.87	-55.31
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007366609	1	42	0.0	-72.19	333.78	6.51	-65.68
C[NH+](C)CC1=CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=NO1	REAL300007366631	1	43	0.0	-74.10	333.90	6.67	-67.43
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366636	0	54	0.0	-57.53	400.76	10.33	-47.20
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(=O)[O-])OCC1(C)C	REAL300007366636	1	54	0.0	-56.12	399.73	10.23	-45.89
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])OCC2(C)C)C=C1	REAL300007366659	0	55	0.0	-67.87	419.38	9.87	-58.00
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])OCC2(C)C)CC1	REAL300007366671	0	48	0.0	-65.06	357.94	7.40	-57.66
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007366677	0	51	0.0	-56.73	380.08	9.05	-47.68
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C1	REAL300007366813	0	50	0.0	-55.50	351.86	8.45	-47.05
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C1	REAL300007366813	1	50	0.0	-57.41	360.38	8.25	-49.16
CC1(C)COC(C(=O)[O-])CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300007366840	0	48	0.0	-55.37	351.72	4.55	-50.82
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C1	REAL300007367011	0	50	0.0	-54.07	347.11	8.18	-45.89
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C1	REAL300007367011	1	50	0.0	-54.57	346.96	8.13	-46.44
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C(C(F)(F)F)C1	REAL300007367012	0	44	0.0	-68.10	324.68	6.75	-61.35
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C(C(F)(F)F)C1	REAL300007367012	1	44	0.0	-59.41	330.83	6.61	-52.80
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])OCC2(C)C)N1	REAL300007367036	1	45	0.0	-53.25	348.29	6.71	-46.54
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=C1	REAL300007367420	0	50	0.0	-70.55	375.92	9.34	-61.21
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C=C1	REAL300007367427	0	51	0.0	-66.61	383.58	8.29	-58.32
CC1(C)COC(C(=O)[O-])CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007367509	0	57	0.0	-62.98	417.64	11.37	-51.61
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OCC3(C)C)C=C2)CCO1	REAL300007367511	1	55	0.0	-67.02	401.04	8.67	-58.35
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])OCC3(C)C)C=C2)CCO1	REAL300007367511	1	55	0.0	-67.17	401.09	8.66	-58.51
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])OCC2(C)C)CC1	REAL300007367539	0	50	0.0	-61.41	346.63	7.84	-53.57
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])OCC3(C)C)=CN21	REAL300007367544	0	42	0.0	-57.07	327.06	8.28	-48.79
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C1	REAL300007367593	0	53	0.0	-58.55	375.85	8.93	-49.62
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C1	REAL300007367593	1	53	0.0	-58.05	375.46	8.89	-49.16
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)O1	REAL300007367599	1	44	0.0	-57.24	339.53	7.28	-49.96
CC1(C)COC(C(=O)[O-])CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300007367607	0	46	0.0	-46.27	337.80	7.69	-38.58
CC1(C)COC(C(=O)[O-])CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300007367607	1	46	0.0	-45.32	332.02	8.26	-37.06
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(CO)OCC23CCC3)C1	REAL300007367672	0	49	0.0	-50.93	356.34	4.33	-46.60
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(CO)OCC23CCC3)C1	REAL300007367672	1	49	0.0	-51.92	357.68	4.25	-47.67
CC1=CC=C2C(=C1)N(C)CCN2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007367771	0	49	0.0	-50.44	359.95	8.61	-41.83
CC1=CC=C2C(=C1)N(C)CCN2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007367771	1	49	0.0	-50.85	361.71	8.60	-42.25
COC1=CC=CC(OC)=C1C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007367885	0	55	0.0	-48.10	410.27	9.31	-38.79
COC1=CC=CC(OC)=C1C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300007367885	1	55	0.0	-48.67	410.64	9.33	-39.34
O=C([O-])C12CCC(CNC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)(C1)OC2	REAL300007369170	0	55	0.0	-78.00	417.50	9.09	-68.91
O=C([O-])C12CCC(CNC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)(C1)OC2	REAL300007369871	0	52	0.0	-68.59	401.88	8.50	-60.09
O=C([O-])C12CCC(CNC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)(C1)OC2	REAL300007369871	1	52	0.0	-68.42	399.95	8.56	-59.86
O=C([O-])C12CCC(CNC(=O)C3CC[NH+](C4CC4)CC3)(C1)OC2	REAL300007370803	0	49	0.0	-70.94	365.83	6.72	-64.22
O=C([O-])C12CCC(CNC(=O)C3CCC[N@@H+]3C3CC3)(C1)OC2	REAL300007370833	0	46	0.0	-70.33	347.82	5.93	-64.40
O=C([O-])C12CCC(CNC(=O)C3CCC[N@H+]3C3CC3)(C1)OC2	REAL300007370833	1	46	0.0	-63.67	349.37	6.17	-57.50
CC1=[NH+]C=C2CCC(C(=O)NCC34CCC(C(=O)[O-])(CO3)C4)CN21	REAL300007370839	1	47	0.0	-64.86	364.49	6.60	-58.26
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CC(C)C[N@H+]1CCCC(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)C1	REAL300007373518	1	54	0.0	-69.02	397.57	7.58	-61.44
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C[N@H+]1CCCC[C@H]1C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007376313	1	48	0.0	-69.64	338.36	5.92	-63.72
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O=C([O-])C12COC(CNC(=O)C3CCCC[N@H+]3C3CCCC3)(C1)CCC2	REAL300007376562	1	58	0.0	-53.82	398.71	8.44	-45.38
O=C([O-])C12COC(CNC(=O)C3CCC([NH+]4CCOCC4)CC3)(C1)CCC2	REAL300007376563	0	59	0.0	-78.47	418.37	6.81	-71.66
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007376596	1	49	0.0	-69.93	376.70	7.41	-62.52
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C[NH+](C)C(C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2)C1=CC=CC=C1	REAL300007377402	1	51	0.0	-66.71	380.46	8.00	-58.71
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CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007377411	1	52	0.0	-66.79	391.15	7.65	-59.14
C[NH+](C)CC1=C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)OC2=CC=CC=C21	REAL300007377412	0	54	0.0	-65.07	405.91	8.34	-56.73
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CC[N@H+](CC(=O)NCC12CC(C(=O)[O-])(CO1)CCC2)C1CC1	REAL300007377420	0	48	0.0	-67.37	354.94	6.55	-60.82
CC[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(CO1)CCC2)C1CC1	REAL300007377420	1	48	0.0	-68.27	351.78	6.52	-61.75
CC(C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2)[NH+]1CCCCCC1	REAL300007377450	0	54	0.0	-68.96	371.14	7.19	-61.77
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC34CC(C(=O)[O-])(CO3)CCC4)=CC=C1N2	REAL300007377492	1	56	0.0	-79.90	419.54	8.41	-71.49
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC34CC(C(=O)[O-])(CO3)CCC4)=CC=C1N2	REAL300007377492	1	56	0.0	-79.09	418.63	8.42	-70.67
CC[NH+](CC)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)O1	REAL300007377542	0	54	0.0	-76.16	407.03	7.68	-68.48
O=C(CCCC[NH+]1CCCC1)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007377543	0	54	0.0	-73.63	397.06	7.81	-65.82
CC1=CC=C(N2CCC(C(=O)NCC34CC(C(=O)[O-])(CO3)CCC4)CC2)[NH+]=C1	REAL300007377545	1	57	0.0	-71.45	419.77	7.58	-63.87
C[N@H+](CC(=O)NCC12CC(C(=O)[O-])(CO1)CCC2)CC1=CC=CC=C1	REAL300007377546	1	51	0.0	-74.95	383.34	8.11	-66.84
C[N@@H+](CC(=O)NCC12CC(C(=O)[O-])(CO1)CCC2)CC1=CC=CC=C1	REAL300007377546	1	51	0.0	-74.58	383.31	8.10	-66.48
CC(C)[C@@H](C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2)[NH+](C)C	REAL300007377557	0	50	0.0	-67.29	356.47	6.63	-60.66
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C[NH+](C)CC1=CC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)=NO1	REAL300007377604	1	47	0.0	-79.01	364.03	5.45	-73.56
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007377608	0	58	0.0	-64.98	430.72	9.50	-55.48
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007377608	1	58	0.0	-74.86	427.96	9.52	-65.34
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007377622	0	51	0.0	-65.51	367.62	6.69	-58.82
CC(C)[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007377622	1	51	0.0	-66.13	364.90	6.64	-59.49
C[NH+]1CCC(OCC(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300007377648	0	52	0.0	-78.66	385.69	6.60	-72.06
O=C([O-])C12COC(CNC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)(C1)CCC2	REAL300007377653	0	55	0.0	-77.79	412.82	8.20	-69.59
CCC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007377845	0	54	0.0	-65.72	383.46	7.70	-58.02
CCC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007377845	1	54	0.0	-71.96	389.07	7.51	-64.45
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007377876	0	54	0.0	-67.57	383.83	7.09	-60.48
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007377876	1	54	0.0	-66.96	385.34	7.14	-59.82
O=C([O-])C12COC(CNC(=O)C[NH+]3CCC(CO)CC3)(C1)CCC2	REAL300007377877	1	52	0.0	-72.57	379.52	3.69	-68.88
O=C([O-])C12COC(CNC(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)(C1)CCC2	REAL300007377983	0	59	0.0	-77.90	434.36	9.98	-67.92
O=C([O-])C12COC(CNC(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)(C1)CCC2	REAL300007377983	1	59	0.0	-74.13	436.18	9.92	-64.21
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378113	0	54	0.0	-62.04	378.11	7.48	-54.56
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378113	1	54	0.0	-63.52	378.44	7.48	-56.04
C[N@@H+]1CC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C(C(F)(F)F)C1	REAL300007378114	0	48	0.0	-80.50	360.87	6.76	-73.74
C[N@H+]1CC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C(C(F)(F)F)C1	REAL300007378114	1	48	0.0	-79.34	362.37	6.18	-73.16
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)N1	REAL300007378140	1	49	0.0	-67.41	375.97	5.79	-61.62
C[NH+](C)CCC1=CC=CC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300007378637	0	54	0.0	-77.20	407.33	8.85	-68.35
C[NH+](C)CCOC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300007378644	0	55	0.0	-79.89	414.63	7.79	-72.10
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378781	0	48	0.0	-73.95	355.40	6.22	-67.73
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300007378785	0	54	0.0	-65.67	377.99	7.19	-58.48
CC1=[NH+]C=C2C=CC(C(=O)NCC34CC(C(=O)[O-])(CO3)CCC4)=CN21	REAL300007378789	0	46	0.0	-68.93	358.25	7.79	-61.14
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378853	0	57	0.0	-66.16	401.23	8.39	-57.77
CC(C)C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378853	1	57	0.0	-70.84	406.46	8.21	-62.63
CC[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378854	0	51	0.0	-70.90	368.64	6.77	-64.13
CC[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378854	1	51	0.0	-69.50	367.70	6.78	-62.72
C[N@@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378858	0	48	0.0	-72.66	350.56	6.10	-66.56
C[N@H+]1CCCC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378858	1	48	0.0	-71.40	350.03	6.12	-65.28
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)O1	REAL300007378860	1	48	0.0	-76.36	369.42	6.19	-70.17
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378866	0	57	0.0	-75.95	388.82	7.15	-68.80
C[N@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300007378866	1	57	0.0	-76.22	387.24	7.13	-69.09
O=C([O-])C12COC(CNC(=O)C34CC(C3)C[N@H+]4C3CC3)(C1)CCC2	REAL300007378869	1	50	0.0	-62.12	364.56	7.06	-55.06
O=C([O-])CC1COC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300007380181	0	54	0.0	-74.30	411.80	8.76	-65.54
O=C([O-])CC1COC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300007380926	0	51	0.0	-62.05	389.61	7.70	-54.35
O=C([O-])CC1COC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300007380926	1	51	0.0	-62.17	389.46	7.69	-54.48
O=C([O-])CC1COC(CNC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300007381850	0	48	0.0	-67.93	360.13	6.39	-61.54
CC1=[NH+]C=C2CCC(C(=O)NCC3CC(CC(=O)[O-])CO3)CN21	REAL300007381883	1	46	0.0	-62.66	359.07	6.29	-56.37
O=C([O-])CC1COC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300007381884	0	54	0.0	-67.01	406.09	8.23	-58.78
CC1=NC(C[NH+]2CCC(C(=O)NCC3CC(CC(=O)[O-])CO3)CC2)=CS1	REAL300007381958	1	53	0.0	-73.11	418.80	6.45	-66.66
CC(C(=O)NCC1CC(CC(=O)[O-])CO1)N1CC[NH+](C)CC1	REAL300007381959	1	49	0.0	-69.26	361.66	3.34	-65.92
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2CC(CC(=O)[O-])CO2)C=C1	REAL300007382044	0	57	0.0	-73.78	444.78	8.27	-65.51
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2CC(CC(=O)[O-])CO2)=C1	REAL300007382056	0	57	0.0	-76.80	445.57	10.61	-66.19
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2CC(CC(=O)[O-])CO2)=C1	REAL300007382056	1	57	0.0	-76.39	445.58	10.62	-65.77
CC1(C(=O)NCC2CC(CC(=O)[O-])CO2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007382058	0	57	0.0	-63.43	424.52	9.17	-54.26
O=C([O-])CC1COC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300007382117	0	39	0.0	-68.72	321.58	7.14	-61.58
C[NH+](C)CC1(C(=O)NCC2CC(CC(=O)[O-])CO2)CCCCC1	REAL300007382147	0	53	0.0	-72.87	375.19	7.19	-65.68
C[N@H+](CCC(=O)NCC1CC(CC(=O)[O-])CO1)C1CCCCC1	REAL300007382151	0	53	0.0	-69.18	389.14	7.12	-62.06
C[N@@H+](CCC(=O)NCC1CC(CC(=O)[O-])CO1)C1CCCCC1	REAL300007382151	1	53	0.0	-68.94	389.13	7.11	-61.83
O=C([O-])CC1COC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300007382173	1	54	0.0	-67.95	416.38	8.74	-59.21
O=C([O-])CC1COC(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300007382173	1	54	0.0	-65.98	416.87	8.79	-57.19
O=C([O-])CC1COC(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300007382174	1	51	0.0	-68.38	395.91	7.77	-60.61
O=C([O-])CC1COC(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300007382174	1	51	0.0	-69.01	403.46	8.36	-60.65
O=C([O-])CC1COC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300007382230	0	47	0.0	-73.47	379.95	6.16	-67.31
O=C([O-])CC1COC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300007382258	0	54	0.0	-61.64	383.69	7.51	-54.13
O=C([O-])CC1COC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300007382258	1	54	0.0	-60.77	388.61	7.39	-53.38
O=C([O-])CC1COC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300007382259	0	55	0.0	-61.93	395.92	5.67	-56.26
CC1=[NH+]C=CN1CCCC(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007382291	1	45	0.0	-66.04	361.69	6.43	-59.61
O=C([O-])CC1COC(CNC(=O)CCCC[NH+]2CCOCC2)C1	REAL300007382292	1	51	0.0	-73.15	388.99	5.12	-68.03
CC[N@H+](CC1=CC=C(C(=O)NCC2CC(CC(=O)[O-])CO2)C=C1)C(C)C	REAL300007382294	0	56	0.0	-72.41	413.85	8.47	-63.94
CC[N@@H+](CC1=CC=C(C(=O)NCC2CC(CC(=O)[O-])CO2)C=C1)C(C)C	REAL300007382294	1	56	0.0	-73.46	408.22	8.20	-65.26
O=C([O-])CC1COC(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007382318	0	51	0.0	-69.80	395.29	8.02	-61.78
O=C([O-])CC1COC(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007382318	1	51	0.0	-70.10	394.57	7.95	-62.15
O=C([O-])CC1COC(CNC(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300007382319	0	52	0.0	-75.87	394.50	7.42	-68.45
C[NH+]1CCN(C(C(=O)NCC2CC(CC(=O)[O-])CO2)C2=CC=CC=C2)CC1	REAL300007382347	1	56	0.0	-71.51	427.27	6.69	-64.82
O=C([O-])CC1COC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300007382348	0	55	0.0	-68.64	387.46	5.37	-63.27
CCC(C(=O)NCC1CC(CC(=O)[O-])CO1)[NH+](CC)CC	REAL300007382352	0	49	0.0	-60.89	353.31	5.54	-55.35
CC(C(=O)NCC1CC(CC(=O)[O-])CO1)[N@H+](C)CC1=CC=CC=C1	REAL300007382354	0	50	0.0	-67.44	385.63	7.51	-59.93
CC(C(=O)NCC1CC(CC(=O)[O-])CO1)[N@@H+](C)CC1=CC=CC=C1	REAL300007382354	1	50	0.0	-65.75	385.49	7.50	-58.25
O=C([O-])CC1COC(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300007382365	0	57	0.0	-72.39	434.36	9.58	-62.81
O=C([O-])CC1COC(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300007382365	1	57	0.0	-65.58	428.43	9.83	-55.75
C[NH+](C)CC1=CC=C(C(=O)NCC2CC(CC(=O)[O-])CO2)C=N1	REAL300007382393	0	46	0.0	-73.70	364.64	5.16	-68.54
CCC[NH+](CCC)CCCC(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007382404	0	55	0.0	-68.68	414.01	7.83	-60.85
O=C([O-])CC1COC(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300007382405	1	55	0.0	-66.23	418.62	5.46	-60.77
CC[N@H+](C)C(C(=O)NCC1CC(CC(=O)[O-])CO1)C1=CC=CC=C1	REAL300007382406	0	50	0.0	-64.03	383.17	7.66	-56.37
CC[N@@H+](C)C(C(=O)NCC1CC(CC(=O)[O-])CO1)C1=CC=CC=C1	REAL300007382406	1	50	0.0	-62.40	378.22	7.53	-54.87
CC[NH+](CC)C(C(=O)NCC1CC(CC(=O)[O-])CO1)C1=CC=CC=C1	REAL300007382411	0	53	0.0	-61.41	390.12	8.03	-53.38
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007382418	1	45	0.0	-61.93	356.48	6.25	-55.68
C[NH+](C)C(C(=O)NCC1CC(CC(=O)[O-])CO1)C1=CC=C(Cl)C=C1	REAL300007382420	1	47	0.0	-65.45	382.17	7.53	-57.92
O=C([O-])CC1COC(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300007382434	0	51	0.0	-76.40	393.68	8.17	-68.23
O=C([O-])CC1COC(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300007382441	0	54	0.0	-71.90	410.43	8.87	-63.03
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CC(C(=O)NCC1CC(CC(=O)[O-])CO1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007382666	1	51	0.0	-66.45	389.71	7.94	-58.51
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CN1CC[NH+](CC2=CC=C(C(=O)NCC3CC(CC(=O)[O-])CO3)C=C2)CC1	REAL300007382840	1	56	0.0	-76.71	426.95	6.32	-70.39
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2CC(CC(=O)[O-])CO2)C=C1	REAL300007382841	0	57	0.0	-73.83	430.04	7.87	-65.96
CC(C)[NH+]1CCC(C(=O)NCC2CC(CC(=O)[O-])CO2)CC1	REAL300007382848	0	50	0.0	-67.92	365.95	6.13	-61.79
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C[NH+](C)CC1=CC=CC(C(=O)NCC2CC(CC(=O)[O-])CO2)=C1	REAL300007382971	0	47	0.0	-72.39	368.92	7.02	-65.37
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C#CC[NH+]1CCC(C(=O)NCC2CC(CC(=O)[O-])CO2)CC1	REAL300007383040	0	46	0.0	-72.06	359.95	6.34	-65.72
CCC[N@@H+]1CCCCC1C(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007383042	0	50	0.0	-63.93	363.67	6.40	-57.53
CCC[N@H+]1CCCCC1C(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007383042	1	50	0.0	-62.56	362.87	6.38	-56.18
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007383044	0	47	0.0	-58.49	361.60	7.25	-51.24
CC[NH+]1CCN(CCC(=O)NCC2CC(CC(=O)[O-])CO2)CC1	REAL300007383046	0	52	0.0	-71.12	388.16	4.03	-67.09
CCN1CC[NH+](CCC(=O)NCC2CC(CC(=O)[O-])CO2)CC1	REAL300007383046	1	52	0.0	-68.91	388.82	4.14	-64.77
CC(C)C(C(=O)NCC1CC(CC(=O)[O-])CO1)[NH+]1CCCCC1	REAL300007383048	0	53	0.0	-59.49	379.77	6.86	-52.63
C[NH+](C)C(C(=O)NCC1CC(CC(=O)[O-])CO1)C1=CC=CC=C1	REAL300007383049	1	47	0.0	-65.33	365.37	7.01	-58.32
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CC(C)C1=[NH+]C=CN1CCC(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007383059	1	48	0.0	-62.66	376.13	6.68	-55.98
C[NH+](C)CC1=C(C(=O)NCC2CC(CC(=O)[O-])CO2)OC2=CC=CC=C21	REAL300007383060	0	50	0.0	-63.85	396.06	7.37	-56.48
O=C([O-])CC1COC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300007383065	0	51	0.0	-62.20	377.93	7.16	-55.04
O=C([O-])CC1COC(CNC(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300007383065	1	51	0.0	-62.58	377.37	6.99	-55.59
CC(C)C(C(=O)NCC1CC(CC(=O)[O-])CO1)[NH+]1CC(C)OC(C)C1	REAL300007383093	1	57	0.0	-65.68	408.94	5.78	-59.90
CC(C(=O)NCC1CC(CC(=O)[O-])CO1)[NH+]1CCCCCC1	REAL300007383094	0	50	0.0	-62.52	359.74	5.98	-56.54
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3CC(CC(=O)[O-])CO3)=CC=C1N2	REAL300007383129	1	52	0.0	-77.41	404.75	7.52	-69.89
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3CC(CC(=O)[O-])CO3)=CC=C1N2	REAL300007383129	1	52	0.0	-77.01	404.16	7.42	-69.59
CC[NH+](CC)CC1=CC=C(C(=O)NCC2CC(CC(=O)[O-])CO2)O1	REAL300007383187	0	50	0.0	-71.74	387.25	6.52	-65.22
O=C([O-])CC1COC(CNC(=O)CCCC[NH+]2CCCC2)C1	REAL300007383188	0	50	0.0	-70.20	380.43	6.73	-63.47
CC1=CC=C(N2CCC(C(=O)NCC3CC(CC(=O)[O-])CO3)CC2)[NH+]=C1	REAL300007383190	1	53	0.0	-67.23	404.75	6.60	-60.63
C[N@H+](CC(=O)NCC1CC(CC(=O)[O-])CO1)CC1=CC=CC=C1	REAL300007383191	1	47	0.0	-69.61	367.37	7.12	-62.49
C[N@@H+](CC(=O)NCC1CC(CC(=O)[O-])CO1)CC1=CC=CC=C1	REAL300007383191	1	47	0.0	-69.76	367.43	7.11	-62.65
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3CC(CC(=O)[O-])CO3)C=C2)CC1	REAL300007383195	0	59	0.0	-76.00	436.88	7.38	-68.62
O=C([O-])CC1COC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300007383210	1	42	0.0	-76.56	350.02	4.96	-71.60
C[NH+](C)CC1=CC(C(=O)NCC2CC(CC(=O)[O-])CO2)=NO1	REAL300007383239	1	43	0.0	-77.65	349.50	4.60	-73.05
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007383244	0	54	0.0	-69.95	412.07	8.56	-61.39
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007383244	1	54	0.0	-69.83	413.61	8.66	-61.17
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CC(CC1=CCCCC1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007384774	0	50	0.0	-47.50	363.21	9.66	-37.84
CC(CC1=CCCCC1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007384774	1	50	0.0	-47.50	363.21	9.66	-37.84
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007385855	0	57	0.0	-74.17	441.39	13.01	-61.16
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300007386417	0	54	0.0	-68.10	419.28	12.03	-56.07
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300007386417	1	54	0.0	-65.81	420.45	12.06	-53.75
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300007387257	0	51	0.0	-70.84	392.35	10.78	-60.06
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300007387282	0	48	0.0	-70.70	374.89	9.93	-60.77
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCC[N@H+]1C1CC1	REAL300007387282	1	48	0.0	-63.19	374.29	10.15	-53.04
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CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300007387289	0	57	0.0	-65.59	441.19	12.81	-52.78
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CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCCC[N@H+]1C	REAL300007387369	1	47	0.0	-65.85	362.15	9.46	-56.39
CC(C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300007387370	1	52	0.0	-69.71	397.23	7.80	-61.91
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)[C@@H]1CCCC[N@@H+]1C	REAL300007387410	0	47	0.0	-69.62	355.50	9.22	-60.40
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)[C@@H]1CCCC[N@H+]1C	REAL300007387410	1	47	0.0	-66.26	361.56	9.45	-56.81
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CC[NH+](C)CC1	REAL300007387497	0	47	0.0	-74.58	363.79	9.43	-65.15
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300007387527	0	42	0.0	-73.42	358.91	11.32	-62.10
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300007387561	0	56	0.0	-73.62	396.77	11.23	-62.39
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300007387566	0	56	0.0	-75.20	421.82	11.60	-63.60
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300007387566	1	56	0.0	-76.03	421.83	11.60	-64.43
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCC[N@@H+]1C	REAL300007387583	0	44	0.0	-68.04	346.19	8.84	-59.20
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCC[N@H+]1C	REAL300007387583	1	44	0.0	-67.87	342.68	8.50	-59.37
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CC[NH+](C)CC1	REAL300007387639	0	47	0.0	-74.58	363.79	9.43	-65.15
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007387643	0	50	0.0	-73.49	409.74	10.24	-63.25
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300007387663	0	57	0.0	-71.59	412.62	11.62	-59.97
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300007387663	1	57	0.0	-64.68	414.55	11.54	-53.14
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007387664	0	58	0.0	-69.96	424.33	9.89	-60.07
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1	REAL300007387700	1	48	0.0	-70.90	394.38	10.89	-60.01
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCCC[NH+]1CCOCC1	REAL300007387701	1	54	0.0	-74.22	421.40	9.58	-64.64
CC[N@H+](CC1=CC=C(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C=C1)C(C)C	REAL300007387704	0	59	0.0	-73.55	448.81	12.75	-60.80
CC[N@@H+](CC1=CC=C(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C=C1)C(C)C	REAL300007387704	1	59	0.0	-86.80	437.34	12.39	-74.41
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300007387707	0	44	0.0	-67.97	344.19	8.75	-59.22
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300007387707	1	44	0.0	-73.46	342.72	8.49	-64.97
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1([NH+](C)C)CC1	REAL300007387716	0	44	0.0	-79.61	343.99	8.67	-70.94
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007387762	0	54	0.0	-71.85	428.09	12.41	-59.44
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007387762	1	54	0.0	-75.31	424.40	12.30	-63.01
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007387763	0	55	0.0	-75.23	420.10	11.41	-63.82
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007387787	0	58	0.0	-70.59	419.95	9.91	-60.68
CCC(C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1)[NH+](CC)CC	REAL300007387791	0	52	0.0	-63.41	384.01	10.05	-53.36
CC(C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300007387793	0	53	0.0	-69.13	415.41	11.84	-57.29
CC(C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007387793	1	53	0.0	-74.38	414.75	11.83	-62.55
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CC[N@@H+](C)C(C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300007387833	1	53	0.0	-67.21	408.59	11.98	-55.23
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CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007387864	0	54	0.0	-89.94	421.56	12.22	-77.72
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CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007387916	0	57	0.0	-90.16	438.31	12.93	-77.23
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007387929	1	50	0.0	-78.09	404.40	10.44	-67.65
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CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300007388639	1	50	0.0	-72.04	399.84	11.54	-60.50
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300007388639	1	50	0.0	-71.97	400.11	11.55	-60.42
CC(C)[C@@H](C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1)[NH+](C)C	REAL300007388650	0	49	0.0	-65.07	366.19	9.58	-55.49
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007388668	1	45	0.0	-78.15	377.40	9.03	-69.12
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300007388696	1	46	0.0	-79.74	379.06	9.30	-70.44
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1	REAL300007388700	0	57	0.0	-72.76	441.94	12.92	-59.84
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1	REAL300007388700	1	57	0.0	-86.08	445.49	12.88	-73.20
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1	REAL300007388713	0	50	0.0	-64.03	378.00	9.87	-54.16
CC(C)[N@H+]1CCCC1C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1	REAL300007388713	1	50	0.0	-69.48	368.72	9.91	-59.57
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)COC1CC[NH+](C)CC1	REAL300007388736	0	51	0.0	-83.77	403.36	10.10	-73.67
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007388740	0	54	0.0	-74.11	426.10	11.65	-62.46
CCC[N@@H+]1CCCC(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007388926	0	53	0.0	-65.82	396.07	10.90	-54.92
CCC[N@H+]1CCCC(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007388926	1	53	0.0	-73.13	403.03	10.79	-62.34
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1	REAL300007388957	0	53	0.0	-66.94	400.45	10.58	-56.36
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC1=CC=CC(OCC(=O)[O-])=C1	REAL300007388957	1	53	0.0	-64.79	404.43	10.98	-53.81
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300007388958	0	51	0.0	-72.15	397.30	7.13	-65.02
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007389183	0	53	0.0	-62.78	391.61	10.77	-52.01
CC(C)[N@H+]1CCCC(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007389183	1	53	0.0	-61.13	392.80	10.77	-50.36
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300007389184	0	47	0.0	-70.72	376.49	9.25	-61.47
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300007389184	1	47	0.0	-75.22	373.55	9.64	-65.58
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)N1	REAL300007389210	1	48	0.0	-68.80	393.64	9.28	-59.52
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC(CC[NH+](C)C)=CC=C1	REAL300007389694	0	53	0.0	-72.51	421.58	11.94	-60.57
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300007389701	0	54	0.0	-91.38	426.78	10.87	-80.51
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300007389837	0	47	0.0	-71.38	372.12	9.67	-61.71
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300007389841	0	53	0.0	-54.88	392.31	10.46	-44.42
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC3=CC=CC(OCC(=O)[O-])=C3)=CN21	REAL300007389845	0	45	0.0	-68.70	380.32	11.11	-57.59
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007389906	0	56	0.0	-69.30	421.86	11.49	-57.81
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007389906	1	56	0.0	-74.28	419.94	11.41	-62.87
CC[N@@H+]1CCCC(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007389907	0	50	0.0	-63.87	374.24	10.15	-53.72
CC[N@H+]1CCCC(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007389907	1	50	0.0	-68.51	381.48	10.05	-58.46
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCC[N@H+](C)C1	REAL300007389912	0	47	0.0	-65.70	356.86	9.50	-56.20
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1CCC[N@@H+](C)C1	REAL300007389912	1	47	0.0	-69.62	363.01	9.32	-60.30
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300007389914	1	47	0.0	-75.80	384.50	9.77	-66.03
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300007389920	0	56	0.0	-77.81	397.10	10.13	-67.68
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300007389920	1	56	0.0	-72.53	403.68	10.58	-61.95
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300007389923	1	49	0.0	-67.20	377.94	10.36	-56.84
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCCC2C2CCOCC2)C1	REAL300007389992	1	55	0.0	-48.46	376.50	7.16	-41.30
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCCC2C2=CC=C(F)C=C2)C1	REAL300007390102	0	51	0.0	-49.94	378.41	9.45	-40.49
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCCC2C2=CC=C(F)C=C2)C1	REAL300007390102	1	51	0.0	-51.74	372.07	9.42	-42.32
CN1C=CN=C1[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007390211	0	54	0.0	-52.71	370.88	10.03	-42.68
CN1C=CN=C1[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007390211	1	54	0.0	-45.90	363.33	9.59	-36.31
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007390279	0	46	0.0	-76.38	374.81	9.88	-66.50
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300007390280	0	50	0.0	-82.48	405.90	10.14	-72.34
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007390281	0	46	0.0	-85.56	374.83	9.87	-75.69
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300007390282	0	43	0.0	-71.24	369.12	9.04	-62.20
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300007390283	0	45	0.0	-71.10	373.00	8.15	-62.95
CC(SC1=CC=CC=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007390284	0	53	0.0	-83.53	427.62	11.62	-71.91
C[NH+](C)CC1=CC=C(CCNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007390285	0	52	0.0	-80.86	420.89	11.36	-69.50
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300007390286	0	45	0.0	-87.14	370.91	8.11	-79.03
C[NH+](C)CC1=CC=C(CCNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007390287	0	50	0.0	-80.05	409.34	11.06	-68.99
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300007390288	0	48	0.0	-65.75	403.04	10.54	-55.21
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300007390289	0	48	0.0	-65.75	403.04	10.54	-55.21
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C=C1	REAL300007390290	0	53	0.0	-80.24	432.94	10.88	-69.36
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])O2)C=C1	REAL300007390291	0	43	0.0	-68.66	361.25	8.27	-60.39
C[NH+](C)CC1=CC=C(CCNC(=O)CCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300007390292	0	52	0.0	-77.95	412.24	11.09	-66.86
CC1=CC(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300007390293	0	56	0.0	-78.00	449.92	11.69	-66.31
C[NH+](C)CC1=CC=C(CCNC(=O)CC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007390294	0	49	0.0	-85.42	399.55	10.54	-74.88
C[NH+](C)CC1=CC=C(CCNC(=O)C2CCCC(C(=O)[O-])C2)C=C1	REAL300007390295	0	52	0.0	-84.99	394.40	9.95	-75.04
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300007390296	0	45	0.0	-76.64	370.76	8.09	-68.55
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300007390297	0	45	0.0	-68.77	372.23	8.14	-60.63
C[NH+](C)CC1=CC=C(CCNC(=O)CC(C)(C)CC(=O)[O-])C=C1	REAL300007390298	0	51	0.0	-75.74	384.04	9.30	-66.44
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300007390299	0	46	0.0	-76.16	379.40	9.95	-66.21
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CN=C(C(=O)[O-])C=N2)C=C1	REAL300007390300	0	44	0.0	-70.44	367.81	6.27	-64.17
C[NH+](C)CC1=CC=C(CCNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300007390301	0	52	0.0	-75.76	399.63	10.09	-65.67
C[NH+](C)CC1=CC=C(CCNC(=O)C2CCC(C(=O)[O-])CC2)C=C1	REAL300007390302	0	52	0.0	-81.45	393.15	9.94	-71.51
C[NH+](C)CC1=CC=C(CCNC(=O)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007390303	0	49	0.0	-86.03	399.49	10.55	-75.48
C[NH+](C)CC1=CC=C(CCNC(=O)CN2C=C(C(=O)[O-])N=N2)C=C1	REAL300007390304	0	45	0.0	-88.10	376.64	6.53	-81.57
CC1=NC(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007390305	0	48	0.0	-68.59	388.54	8.66	-59.93
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007390306	0	46	0.0	-76.38	374.81	9.88	-66.50
C[NH+](C)CC1=CC=C(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300007390307	0	49	0.0	-81.29	382.48	9.42	-71.87
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300007390308	0	49	0.0	-80.27	397.01	10.63	-69.64
C[NH+](C)CC1=CC=C(CCNC(=O)C2=C(CC(=O)[O-])OC=C2)C=C1	REAL300007390309	0	46	0.0	-81.27	377.33	8.78	-72.49
CC1=COC(CC(=O)[O-])=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390310	0	49	0.0	-70.35	404.12	9.41	-60.94
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300007390311	0	45	0.0	-75.68	372.42	8.16	-67.52
C[NH+](C)CC1=CC=C(CCNC(=O)C23CC(C(=O)[O-])(C2)C3)C=C1	REAL300007390312	0	47	0.0	-75.11	378.25	9.44	-65.67
C[NH+](C)CC1=CC=C(CCNC(=O)C2(C(=O)[O-])CCC2)C=C1	REAL300007390313	0	46	0.0	-67.00	361.61	8.96	-58.04
C[NH+](C)CC1=CC=C(CCNC(=O)CC2CCC(C(=O)[O-])CC2)C=C1	REAL300007390314	0	55	0.0	-81.64	419.68	10.80	-70.84
C[NH+](C)CC1=CC=C(CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)C=C1	REAL300007390315	0	53	0.0	-83.09	408.92	10.26	-72.83
C[NH+](C)CC1=CC=C(CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C=C1	REAL300007390316	0	56	0.0	-77.62	418.39	10.78	-66.84
C[NH+](C)CC1=CC=C(CCNC(=O)CC(C)(C)CC(=O)[O-])C=C1	REAL300007390317	0	51	0.0	-75.74	384.04	9.30	-66.44
CC(CC(=O)[O-])CC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390318	0	48	0.0	-78.14	374.28	8.92	-69.22
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C=C1	REAL300007390319	0	48	0.0	-81.25	396.74	9.17	-72.08
C[NH+](C)CC1=CC=C(CCNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C=C1	REAL300007390320	0	53	0.0	-86.10	426.97	10.58	-75.52
C[NH+](C)CC1=CC=C(CCNC(=O)C2=NOC(C(=O)[O-])=C2)C=C1	REAL300007390321	0	42	0.0	-66.75	355.75	7.44	-59.31
C[NH+](C)CC1=CC=C(CCNC(=O)C2(C(=O)[O-])CCCC2)C=C1	REAL300007390322	0	49	0.0	-69.33	378.99	9.54	-59.79
C[NH+](C)CC1=CC=C(CCNC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300007390323	0	59	0.0	-77.97	453.78	12.77	-65.20
CC1=C(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C=C(C(=O)[O-])O1	REAL300007390324	0	46	0.0	-72.31	377.95	9.01	-63.30
CC1=C(C(=O)[O-])OC(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)=C1	REAL300007390325	0	46	0.0	-69.27	379.23	8.85	-60.42
C[NH+](C)CC1=CC=C(CCNC(=O)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300007390326	0	46	0.0	-84.73	381.62	8.01	-76.72
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C=CC(=O)[O-])O2)C=C1	REAL300007390327	0	47	0.0	-71.88	394.43	9.46	-62.42
C[NH+](C)CC1=CC=C(CCNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300007390328	0	53	0.0	-67.09	405.96	10.57	-56.52
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300007390329	0	50	0.0	-76.12	405.83	10.15	-65.97
C[NH+](C)CC1=CC=C(CCNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C=C1	REAL300007390330	0	55	0.0	-84.72	443.01	10.42	-74.30
C[NH+](C)CC1=CC=C(CCNC(=O)CCSCC(=O)[O-])C=C1	REAL300007390331	0	46	0.0	-74.41	384.66	9.06	-65.35
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300007390332	0	45	0.0	-68.77	372.23	8.14	-60.63
CN1N=C(C(=O)[O-])C=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390333	0	46	0.0	-76.24	377.27	7.53	-68.71
C[C@@H]1C[C@H](C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)O[C@H]1C(=O)[O-]	REAL300007390334	0	50	0.0	-82.84	397.18	9.38	-73.46
C[NH+](C)CC1=CC=C(CCNC(=O)C(C)(C)CCC(=O)[O-])C=C1	REAL300007390335	0	51	0.0	-80.88	392.79	9.43	-71.45
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300007390336	0	49	0.0	-74.57	397.06	10.64	-63.93
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300007390337	0	50	0.0	-77.72	406.90	11.16	-66.56
C[NH+](C)CC1=CC=C(CCNC(=O)C=CC2=CC(C(=O)[O-])=CO2)C=C1	REAL300007390338	0	47	0.0	-76.85	393.95	9.31	-67.54
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=CC=C2CCC(=O)[O-])C=C1	REAL300007390339	0	52	0.0	-83.49	409.82	11.39	-72.10
C[NH+](C)CC1=CC=C(CCNC(=O)COCC2=C(C(=O)[O-])N=CO2)C=C1	REAL300007390340	0	49	0.0	-87.66	407.61	5.61	-82.05
C[NH+](C)CC1=CC=C(CCNC(=O)C=CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300007390341	0	47	0.0	-74.75	395.43	9.68	-65.07
C[NH+](C)CC1=CC=C(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300007390342	0	49	0.0	-81.29	382.48	9.42	-71.87
CC1=CC=C(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300007390343	0	49	0.0	-85.07	390.81	10.40	-74.67
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CN=CC(C(=O)[O-])=C2)C=C1	REAL300007390344	0	45	0.0	-77.56	369.98	8.07	-69.49
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390345	0	48	0.0	-67.38	386.27	8.73	-58.65
C[NH+](C)CC1=CC=C(CCNC(=O)CN2C=CC(C(=O)[O-])=N2)C=C1	REAL300007390346	0	46	0.0	-95.43	380.90	8.04	-87.39
C[NH+](C)CC1=CC=C(CCNC(=O)CCCN2C=CC(C(=O)[O-])=N2)C=C1	REAL300007390347	0	52	0.0	-95.36	424.56	9.41	-85.95
C[NH+](C)CC1=CC=C(CCNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300007390348	0	46	0.0	-75.36	362.19	8.72	-66.64
C[NH+](C)CC1=CC=C(CCNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C=C1	REAL300007390349	0	53	0.0	-84.58	418.38	9.81	-74.77
C[NH+](C)CC1=CC=C(CCNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C=C1	REAL300007390350	0	53	0.0	-77.36	417.62	8.66	-68.70
C[NH+](C)CC1=CC=C(CCNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300007390351	0	46	0.0	-75.36	362.19	8.72	-66.64
CC1=C(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)OC(C(=O)[O-])=C1	REAL300007390352	0	46	0.0	-69.07	379.06	8.95	-60.12
C[NH+](C)CC1=CC=C(CCNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C=C1	REAL300007390353	0	54	0.0	-68.16	398.21	11.26	-56.90
CC(C)C(C(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390354	0	48	0.0	-72.05	370.20	8.63	-63.42
C[NH+](C)CC1=CC=C(CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300007390355	0	52	0.0	-81.37	388.20	10.64	-70.73
C[NH+](C)CC1=CC=C(CCNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C=C1	REAL300007390357	0	53	0.0	-64.52	414.80	11.70	-52.82
C[NH+](C)CC1=CC=C(CCNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C=C1	REAL300007390358	0	53	0.0	-86.10	426.97	10.58	-75.52
C[NH+](C)CC1=CC=C(CCNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300007390359	0	53	0.0	-94.31	432.84	11.99	-82.32
C[NH+](C)CC1=CC=C(CCNC(=O)C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300007390360	0	50	0.0	-85.79	392.77	11.03	-74.76
C[NH+](C)CC1=CC=C(CCNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007390361	0	46	0.0	-80.06	366.63	8.85	-71.21
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390362	0	52	0.0	-86.26	406.58	10.63	-75.63
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390363	0	49	0.0	-70.62	390.90	10.55	-60.07
C[NH+](C)CC1=CC=C(CCNC(=O)C2CC(C)(C(=O)[O-])C2)C=C1	REAL300007390364	0	49	0.0	-71.52	383.99	9.27	-62.25
C[NH+](C)CC1=CC=C(CCNC(=O)C2=C(C(=O)[O-])SC=C2)C=C1	REAL300007390365	0	43	0.0	-86.35	362.66	9.81	-76.54
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=NN2)C=C1	REAL300007390366	0	43	0.0	-80.04	358.74	6.29	-73.75
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390367	0	48	0.0	-75.39	380.49	8.63	-66.76
CCCC(C(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390368	0	48	0.0	-66.30	374.85	9.27	-57.03
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390369	0	49	0.0	-76.29	390.89	10.54	-65.75
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300007390370	0	46	0.0	-74.84	387.31	10.38	-64.46
C[NH+](C)CC1=CC=C(CCNC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300007390371	0	53	0.0	-78.50	415.81	10.72	-67.78
COC1=CC(C(=O)[O-])=NC(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)=C1	REAL300007390372	0	49	0.0	-68.70	402.67	7.46	-61.24
CN1C(C(=O)[O-])=CC=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390373	0	47	0.0	-76.45	377.44	9.08	-67.37
C[NH+](C)CC1=CC=C(CCNC(=O)C2(C(=O)[O-])CC=CC2)C=C1	REAL300007390374	0	47	0.0	-69.02	371.30	9.41	-59.61
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300007390375	0	52	0.0	-75.58	418.40	11.45	-64.13
CC1=NNC(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)=C1C(=O)[O-]	REAL300007390376	0	46	0.0	-80.89	370.38	7.68	-73.21
C[NH+](C)CC1=CC=C(CCNC(=O)CC2(CC(=O)[O-])CC2)C=C1	REAL300007390377	0	49	0.0	-73.59	386.37	9.61	-63.98
C[NH+](C)CC1=CC=C(CCNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C=C1	REAL300007390378	0	50	0.0	-75.69	408.90	10.37	-65.32
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CSC(C(=O)[O-])=N2)C=C1	REAL300007390379	0	42	0.0	-67.68	364.49	7.02	-60.66
C[NH+](C)CC1=CC=C(CCNC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])C=C1	REAL300007390380	0	46	0.0	-85.95	363.39	9.90	-76.05
CC1=C(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C=C(C(=O)[O-])S1	REAL300007390381	0	46	0.0	-70.58	384.13	9.70	-60.88
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C=C1	REAL300007390382	0	46	0.0	-76.34	404.63	10.45	-65.89
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)=C1	REAL300007390383	0	50	0.0	-79.01	412.53	9.54	-69.47
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390384	0	49	0.0	-70.26	398.75	10.16	-60.10
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C=C1	REAL300007390385	0	49	0.0	-85.47	409.99	11.15	-74.32
C[NH+](C)CC1=CC=C(CCNC(=O)CCC2=CC=CN=C2C(=O)[O-])C=C1	REAL300007390386	0	51	0.0	-82.26	408.40	9.33	-72.93
C[NH+](C)CC1=CC=C(CCNC(=O)C23CC(C(=O)[O-])(C2)CO3)C=C1	REAL300007390387	0	48	0.0	-71.26	384.63	7.46	-63.80
C[NH+](C)CC1=CC=C(CCNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007390388	0	50	0.0	-80.03	409.34	11.06	-68.97
CC1CC1(C(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390389	0	46	0.0	-66.15	365.59	9.04	-57.11
C[NH+](C)CC1=CC=C(CCNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300007390390	0	53	0.0	-67.09	405.96	10.57	-56.52
CN1N=CC(C(=O)[O-])=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390391	0	46	0.0	-78.60	380.85	7.29	-71.31
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C=C1	REAL300007390392	0	47	0.0	-71.44	399.99	8.88	-62.56
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C=C1	REAL300007390393	0	47	0.0	-76.81	400.24	9.02	-67.79
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C=C1	REAL300007390394	0	47	0.0	-71.88	391.40	8.02	-63.86
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390395	0	49	0.0	-82.28	384.98	10.42	-71.86
C[NH+](C)CC1=CC=C(CCNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300007390396	0	49	0.0	-81.73	405.12	9.29	-72.44
C=C1CCC1(C(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390397	0	47	0.0	-69.36	376.72	9.16	-60.20
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300007390398	0	43	0.0	-80.71	368.04	8.88	-71.83
C[NH+](C)CC1=CC=C(CCNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C=C1	REAL300007390399	0	51	0.0	-80.83	395.10	8.12	-72.71
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C=C1	REAL300007390400	0	52	0.0	-81.26	410.82	11.93	-69.33
CC(C)[C@]1(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C[C@H]1C(=O)[O-]	REAL300007390401	0	52	0.0	-70.80	401.71	10.18	-60.62
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300007390402	0	52	0.0	-87.05	416.26	11.01	-76.04
C[NH+](C)CC1=CC=C(CCNC(=O)CC2=CC(C(=O)[O-])=CS2)C=C1	REAL300007390403	0	46	0.0	-84.09	391.04	9.69	-74.40
C[NH+](C)CC1=CC=C(CCNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300007390404	0	49	0.0	-88.57	404.03	10.58	-77.99
C[NH+](C)CC1=CC=C(CCNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C=C1	REAL300007390405	0	49	0.0	-77.70	381.47	9.40	-68.30
C[NH+](C)CC1=CC=C(CCNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C=C1	REAL300007390406	0	53	0.0	-72.54	423.82	11.40	-61.14
C[NH+](C)CC1=CC=C(CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C=C1	REAL300007390407	0	56	0.0	-77.62	418.39	10.78	-66.84
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NNC3=CC=C(Cl)C=C32)C1	REAL300007390485	0	43	0.0	-50.41	360.50	6.54	-43.87
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NNC3=CC=C(Cl)C=C32)C1	REAL300007390485	1	43	0.0	-48.10	354.31	6.52	-41.58
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C3C=C(Cl)C=CC3=NN2)C1	REAL300007390485	1	43	0.0	-54.23	360.80	6.54	-47.69
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C3C=C(Cl)C=CC3=NN2)C1	REAL300007390485	1	43	0.0	-51.06	354.06	6.50	-44.56
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=CC=CC=C3C3CC2C3)C1	REAL300007390607	0	48	0.0	-48.31	346.72	10.64	-37.67
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC=C3C3CC2C3)C1	REAL300007390607	1	48	0.0	-44.62	345.92	10.18	-34.44
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NC=NC4=CC=CC=C43)C2)C1	REAL300007390727	0	51	0.0	-50.57	385.14	10.04	-40.53
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NC=NC4=CC=CC=C43)C2)C1	REAL300007390727	1	51	0.0	-53.80	392.61	10.49	-43.31
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(C2)CC=CCO3)C1	REAL300007390818	0	46	0.0	-44.28	334.79	6.86	-37.42
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(C2)CC=CCO3)C1	REAL300007390818	1	46	0.0	-48.41	343.59	7.36	-41.05
COC1=CC=C2CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC(C(=O)[O-])C2=C1	REAL300007392144	0	55	0.0	-84.34	419.43	11.52	-72.82
COC1=CC=C2CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC(C(=O)[O-])C2=C1	REAL300007392144	1	55	0.0	-78.54	416.00	11.39	-67.15
COC1=CC=C2CN(C(=O)C3CC[NH+](C4CC4)CC3)CC(C(=O)[O-])C2=C1	REAL300007392874	0	52	0.0	-82.98	380.10	10.34	-72.64
COC1=CC=C2CN(C(=O)C3CCC[N@@H+]3C3CC3)CC(C(=O)[O-])C2=C1	REAL300007392898	0	49	0.0	-79.18	371.64	9.31	-69.87
COC1=CC=C2CN(C(=O)C3CCC[N@H+]3C3CC3)CC(C(=O)[O-])C2=C1	REAL300007392898	1	49	0.0	-65.35	362.03	9.77	-55.58
COC1=CC=C2CN(C(=O)C3CCC4=C[NH+]=C(C)N4C3)CC(C(=O)[O-])C2=C1	REAL300007392904	1	50	0.0	-71.68	378.49	10.16	-61.52
COC1=CC=C2CN(C(=O)C3CCCC[N@@H+]3C)CC(C(=O)[O-])C2=C1	REAL300007392976	0	48	0.0	-70.62	354.29	9.30	-61.32
COC1=CC=C2CN(C(=O)C3CCCC[N@H+]3C)CC(C(=O)[O-])C2=C1	REAL300007392976	1	48	0.0	-85.37	350.64	8.24	-77.13
COC1=CC=C2CN(C(=O)C(C)N3CC[NH+](C)CC3)CC(C(=O)[O-])C2=C1	REAL300007392977	1	53	0.0	-78.06	384.44	7.41	-70.65
COC1=CC=C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC(C(=O)[O-])C2=C1	REAL300007393013	0	48	0.0	-77.79	344.71	7.99	-69.80
COC1=CC=C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC(C(=O)[O-])C2=C1	REAL300007393013	1	48	0.0	-77.51	358.44	8.57	-68.94
COC1=CC=C2CN(C(=O)C3CC[NH+](C)CC3)CC(C(=O)[O-])C2=C1	REAL300007393087	0	48	0.0	-86.84	355.20	9.14	-77.70
COC1=CC=C2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC(C(=O)[O-])C2=C1	REAL300007393117	0	43	0.0	-87.29	353.29	10.46	-76.83
COC1=CC=C2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC(C(=O)[O-])C2=C1	REAL300007393147	0	57	0.0	-91.73	393.15	10.22	-81.51
COC1=CC=C2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC(C(=O)[O-])C2=C1	REAL300007393152	0	57	0.0	-76.44	413.55	11.40	-65.04
COC1=CC=C2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC(C(=O)[O-])C2=C1	REAL300007393152	1	57	0.0	-75.45	413.54	11.40	-64.05
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C[NH+]1CCC(OCC(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)CC1	REAL300007399967	0	48	0.0	-79.03	384.45	9.75	-69.28
O=C([O-])CN1C=CC2=C(NC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C=CC=C21	REAL300007399972	0	51	0.0	-77.40	409.57	11.34	-66.06
CCC[N@@H+]1CCCC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007400162	0	50	0.0	-72.48	388.04	10.76	-61.72
CCC[N@H+]1CCCC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007400162	1	50	0.0	-67.46	381.83	10.97	-56.49
CC(C)C[N@@H+]1CCCC1C(=O)NC1=C2C=CN(CC(=O)[O-])C2=CC=C1	REAL300007400193	0	50	0.0	-69.51	388.27	10.91	-58.60
CC(C)C[N@H+]1CCCC1C(=O)NC1=C2C=CN(CC(=O)[O-])C2=CC=C1	REAL300007400193	1	50	0.0	-69.31	388.44	10.97	-58.34
O=C([O-])CN1C=CC2=C(NC(=O)C[NH+]3CCC(CO)CC3)C=CC=C21	REAL300007400194	1	48	0.0	-77.43	377.26	6.94	-70.49
CC(C)[N@@H+]1CCCC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007400422	0	50	0.0	-70.77	383.20	10.53	-60.24
CC(C)[N@H+]1CCCC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007400422	1	50	0.0	-71.69	383.04	10.55	-61.14
C[N@@H+]1CC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C(C(F)(F)F)C1	REAL300007400423	0	44	0.0	-80.19	367.37	9.60	-70.59
C[N@H+]1CC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C(C(F)(F)F)C1	REAL300007400423	1	44	0.0	-80.82	368.45	9.49	-71.33
CC1=C(C)[NH+]=C(CCC(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)N1	REAL300007400448	1	45	0.0	-69.63	374.11	9.05	-60.58
C[NH+](C)CCC1=CC=CC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)=C1	REAL300007400935	0	50	0.0	-77.77	404.51	12.09	-65.68
C[NH+](C)CCOC1=CC=C(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C=C1	REAL300007400942	0	51	0.0	-79.07	412.43	11.02	-68.05
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007401081	0	44	0.0	-72.91	354.04	9.47	-63.44
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)CC1	REAL300007401085	0	50	0.0	-68.47	376.99	10.42	-58.05
CC(C)C[N@@H+]1CCCC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007401151	0	53	0.0	-68.13	398.39	11.67	-56.46
CC(C)C[N@H+]1CCCC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007401151	1	53	0.0	-68.13	398.39	11.67	-56.46
CC[N@@H+]1CCCC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007401152	0	47	0.0	-67.21	359.63	10.23	-56.98
CC[N@H+]1CCCC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007401152	1	47	0.0	-67.21	359.63	10.23	-56.98
C[N@@H+]1CCCC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007401156	0	44	0.0	-73.73	348.88	9.36	-64.37
C[N@H+]1CCCC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007401156	1	44	0.0	-73.73	348.88	9.36	-64.37
CN(C)CC1=CC=C(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)O1	REAL300007401158	0	44	0.0	-80.26	367.98	9.47	-70.79
C[NH+](C)CC1=CC=C(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)O1	REAL300007401158	1	44	0.0	-80.26	367.98	9.47	-70.79
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007401164	0	53	0.0	-77.24	393.92	10.87	-66.37
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300007401164	1	53	0.0	-77.24	393.92	10.87	-66.37
O=C([O-])CN1C=CC2=C(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)C=CC=C21	REAL300007401167	0	46	0.0	-71.98	361.52	10.88	-61.10
CC(C)(CC1=CNC2=CC(F)=CC=C12)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007401237	0	53	0.0	-53.16	392.96	9.09	-44.07
CC(C)(CC1=CNC2=CC(F)=CC=C12)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007401237	1	53	0.0	-53.16	392.96	9.09	-44.07
O=C([O-])CC1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCC1(F)F	REAL300007402299	0	56	0.0	-79.83	407.93	12.53	-67.30
O=C([O-])CC1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCC1(F)F	REAL300007402876	0	53	0.0	-66.62	388.24	11.72	-54.90
O=C([O-])CC1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCC1(F)F	REAL300007402876	1	53	0.0	-67.54	394.53	11.72	-55.82
O=C([O-])CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CCC1(F)F	REAL300007403732	0	50	0.0	-73.55	357.05	10.26	-63.29
O=C([O-])CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CCC1(F)F	REAL300007403757	0	47	0.0	-71.90	339.50	8.81	-63.09
O=C([O-])CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CCC1(F)F	REAL300007403757	1	47	0.0	-52.70	340.61	9.65	-43.05
CC1=[NH+]C=C2CCC(C(=O)N3CCC(CC(=O)[O-])C(F)(F)CC3)CN12	REAL300007403763	1	48	0.0	-66.40	354.95	10.01	-56.39
O=C([O-])CC1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCC1(F)F	REAL300007403764	0	56	0.0	-51.23	410.12	12.53	-38.70
C[N@@H+]1CCCCC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007403844	0	46	0.0	-67.32	327.55	9.01	-58.31
C[N@H+]1CCCCC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007403844	1	46	0.0	-62.45	331.02	9.16	-53.29
CC(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)N1CC[NH+](C)CC1	REAL300007403845	1	51	0.0	-71.60	357.73	7.10	-64.50
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007403887	0	46	0.0	-52.06	329.92	9.10	-42.96
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007403887	1	46	0.0	-51.29	319.69	8.41	-42.88
C[NH+]1CCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC1	REAL300007403974	0	46	0.0	-78.74	331.70	9.02	-69.72
O=C([O-])CC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCC1(F)F	REAL300007404004	0	41	0.0	-80.61	324.85	10.31	-70.30
C[NH+](C)CC1(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CCCCC1	REAL300007404040	0	55	0.0	-72.06	356.50	9.97	-62.09
C[N@H+](CCC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1CCCCC1	REAL300007404045	0	55	0.0	-76.15	388.95	10.61	-65.54
C[N@@H+](CCC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1CCCCC1	REAL300007404045	1	55	0.0	-72.86	390.27	11.28	-61.58
C[N@@H+]1CCCC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404062	0	43	0.0	-68.87	311.07	7.77	-61.10
C[N@H+]1CCCC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404062	1	43	0.0	-70.17	310.83	8.16	-62.01
O=C([O-])CC1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCC1(F)F	REAL300007404067	1	53	0.0	-58.98	399.96	11.76	-47.22
O=C([O-])CC1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCC1(F)F	REAL300007404067	1	53	0.0	-73.67	396.81	12.04	-61.63
C[NH+]1CCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC1	REAL300007404119	0	46	0.0	-78.74	331.70	9.02	-69.72
O=C([O-])CC1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCC1(F)F	REAL300007404123	0	49	0.0	-78.34	380.41	9.90	-68.44
O=C([O-])CC1CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CCC1(F)F	REAL300007404143	0	56	0.0	-61.94	381.91	11.18	-50.76
O=C([O-])CC1CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CCC1(F)F	REAL300007404143	1	56	0.0	-63.28	380.33	11.15	-52.13
O=C([O-])CC1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CCC1(F)F	REAL300007404144	0	57	0.0	-80.59	398.90	9.60	-70.99
CC1=[NH+]C=CN1CCCC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404180	1	47	0.0	-69.14	362.83	10.58	-58.56
O=C([O-])CC1CCN(C(=O)CCCC[NH+]2CCOCC2)CCC1(F)F	REAL300007404181	1	53	0.0	-76.90	390.13	9.26	-67.64
CC[N@H+](CC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C=C1)C(C)C	REAL300007404184	0	58	0.0	-61.99	410.23	12.20	-49.79
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C=C1)C(C)C	REAL300007404184	1	58	0.0	-65.97	402.12	11.95	-54.02
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404187	0	43	0.0	-63.63	309.42	8.14	-55.49
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404187	1	43	0.0	-65.39	314.50	8.45	-56.94
C[NH+](C)C1(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC1	REAL300007404196	0	43	0.0	-73.67	306.59	7.94	-65.73
O=C([O-])CC1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300007404243	0	53	0.0	-62.22	396.17	11.66	-50.56
O=C([O-])CC1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300007404243	1	53	0.0	-60.50	395.33	12.02	-48.48
O=C([O-])CC1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CCC1(F)F	REAL300007404244	0	54	0.0	-83.58	386.94	10.98	-72.60
O=C([O-])CC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCC1(F)F	REAL300007404268	0	57	0.0	-71.92	388.20	9.48	-62.44
CCC(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)[NH+](CC)CC	REAL300007404272	0	51	0.0	-60.34	352.39	9.71	-50.63
CC(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300007404274	0	52	0.0	-66.90	383.55	11.55	-55.35
CC(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300007404274	1	52	0.0	-67.75	383.35	11.52	-56.23
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C=N1	REAL300007404307	0	48	0.0	-66.05	356.27	8.02	-58.03
CCC[NH+](CCC)CCCC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404313	0	57	0.0	-72.61	414.42	11.89	-60.72
CC[N@H+](C)C(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1=CC=CC=C1	REAL300007404314	0	52	0.0	-67.45	378.97	11.39	-56.06
CC[N@@H+](C)C(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1=CC=CC=C1	REAL300007404314	1	52	0.0	-66.61	375.92	11.29	-55.32
C[N@@H+]1CCOC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007404316	1	44	0.0	-62.31	318.79	7.34	-54.97
C[N@H+]1CCOC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007404316	1	44	0.0	-63.32	312.25	7.54	-55.78
CC[NH+](CC)C(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1=CC=CC=C1	REAL300007404318	0	55	0.0	-60.65	381.50	11.48	-49.17
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404327	1	47	0.0	-64.18	357.61	10.35	-53.83
C[NH+](C)C(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1=CC=C(Cl)C=C1	REAL300007404332	1	49	0.0	-65.11	378.22	10.72	-54.39
O=C([O-])CC1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCC1(F)F	REAL300007404345	0	53	0.0	-66.44	386.26	11.64	-54.80
O=C([O-])CC1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCC1(F)F	REAL300007404352	0	56	0.0	-73.30	410.45	12.57	-60.73
C[NH+](C)CC1(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC1	REAL300007404356	0	46	0.0	-80.25	335.10	8.40	-71.85
C[NH+](C)CCCCC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404365	0	48	0.0	-75.23	357.22	9.81	-65.42
CC(C)C(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)[NH+](C)C	REAL300007404374	0	48	0.0	-67.57	326.31	8.78	-58.79
O=C([O-])CC1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCC1(F)F	REAL300007404387	0	56	0.0	-71.85	393.35	11.48	-60.37
O=C([O-])CC1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CCC1(F)F	REAL300007404387	1	56	0.0	-63.59	397.18	12.23	-51.36
CC1=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300007404389	1	47	0.0	-72.05	367.21	8.76	-63.29
O=C([O-])CC1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCC1(F)F	REAL300007404397	0	56	0.0	-66.17	404.54	12.43	-53.74
O=C([O-])CC1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCC1(F)F	REAL300007404410	1	49	0.0	-69.81	369.82	10.08	-59.73
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C=C1	REAL300007404411	0	52	0.0	-85.03	391.82	11.61	-73.42
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404422	1	45	0.0	-64.12	344.91	8.20	-55.92
O=C([O-])CC1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCC1(F)F	REAL300007404424	1	54	0.0	-80.92	393.85	11.22	-69.70
O=C([O-])CC1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCC1(F)F	REAL300007404424	1	54	0.0	-75.16	394.54	10.92	-64.24
CCC[N@H+](C)CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404433	0	45	0.0	-68.47	331.09	9.03	-59.44
CCC[N@@H+](C)CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404433	1	45	0.0	-68.50	331.08	9.03	-59.47
C[N@H+](CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1CCC1	REAL300007404455	0	46	0.0	-65.62	337.96	9.60	-56.02
C[N@@H+](CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1CCC1	REAL300007404455	1	46	0.0	-66.68	338.09	9.61	-57.07
CC(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)[NH+]1CCSCC1	REAL300007404479	1	47	0.0	-68.87	343.32	9.37	-59.50
C[N@H+](CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)CC(C)(C)C	REAL300007404485	0	51	0.0	-67.81	361.49	10.11	-57.70
C[N@@H+](CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)CC(C)(C)C	REAL300007404485	1	51	0.0	-68.27	361.99	10.19	-58.08
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404487	0	52	0.0	-71.80	390.99	12.07	-59.73
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404487	1	52	0.0	-71.66	390.99	12.06	-59.60
COCCOCC[N@H+](C)CCC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404488	0	56	0.0	-72.97	420.02	8.28	-64.69
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CCCC(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)[NH+](C)C	REAL300007404605	0	48	0.0	-70.32	336.41	9.20	-61.12
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C[C@@H]1[C@H](C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC[N@@H+]1C	REAL300007404626	0	46	0.0	-75.63	326.64	9.07	-66.56
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CC[N@@H+]1CCOC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007404683	1	47	0.0	-77.62	334.42	7.75	-69.87
CC[N@H+]1CCOC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007404683	1	47	0.0	-62.99	330.12	8.17	-54.82
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C[N@H+]1CCCC1CCC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404727	1	49	0.0	-73.97	352.46	9.02	-64.95
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CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404750	0	53	0.0	-62.68	357.85	8.12	-54.56
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C=N1	REAL300007404755	0	56	0.0	-81.35	412.76	9.63	-71.72
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C=N1	REAL300007404755	1	56	0.0	-69.89	407.89	9.45	-60.44
CC[NH+](CC)CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404767	0	45	0.0	-66.58	323.35	8.68	-57.90
CC(C)[NH+]1CCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC1	REAL300007404769	0	52	0.0	-75.80	366.01	10.20	-65.60
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CCC(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)[NH+](C)C	REAL300007404853	0	45	0.0	-65.97	311.17	8.31	-57.66
O=C([O-])CC1CCN(C(=O)C23CC[N@H+](C2)CCC3)CCC1(F)F	REAL300007404861	0	47	0.0	-62.13	320.81	7.93	-54.20
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CC1CCC(C)[NH+]1CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404907	0	49	0.0	-64.86	349.70	9.67	-55.19
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)=C1	REAL300007404908	0	49	0.0	-68.24	363.61	10.59	-57.65
O=C([O-])CC1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300007404909	0	56	0.0	-73.27	406.77	12.51	-60.76
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C[NH+](C)C1(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CCC1	REAL300007404947	0	46	0.0	-75.06	312.00	8.44	-66.62
C#CC[NH+]1CCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC1	REAL300007404977	0	48	0.0	-78.46	356.87	10.21	-68.25
CCC[N@@H+]1CCCCC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404979	0	52	0.0	-64.22	359.89	10.08	-54.14
CCC[N@H+]1CCCCC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404979	1	52	0.0	-62.00	370.09	10.50	-51.50
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CC[NH+]1CCN(CCC(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC1	REAL300007404982	0	54	0.0	-73.52	390.46	8.34	-65.18
CCN1CC[NH+](CCC(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC1	REAL300007404982	1	54	0.0	-72.87	390.45	8.31	-64.56
CC(C)[N@H+](C)CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404983	0	45	0.0	-65.56	326.28	8.82	-56.74
CC(C)[N@@H+](C)CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404983	1	45	0.0	-66.29	326.27	8.82	-57.47
CC(C)C(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)[NH+]1CCCCC1	REAL300007404984	0	55	0.0	-63.58	376.07	11.22	-52.36
C[NH+](C)C(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1=CC=CC=C1	REAL300007404985	1	49	0.0	-63.17	361.33	10.88	-52.29
O=C([O-])CC1CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300007404989	0	54	0.0	-58.16	390.38	8.81	-49.35
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CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007404994	1	50	0.0	-65.54	377.31	10.82	-54.72
C[NH+](C)CC1=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)OC2=CC=CC=C21	REAL300007404996	0	52	0.0	-61.79	391.31	11.53	-50.26
O=C([O-])CC1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CCC1(F)F	REAL300007405002	0	53	0.0	-65.34	354.63	9.66	-55.68
O=C([O-])CC1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CCC1(F)F	REAL300007405002	1	53	0.0	-70.08	374.83	10.36	-59.72
CC[N@H+](CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1CC1	REAL300007405004	0	46	0.0	-66.51	339.69	9.01	-57.50
CC[N@@H+](CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)C1CC1	REAL300007405004	1	46	0.0	-64.64	336.70	9.37	-55.27
CC(C)C(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)[NH+]1CC(C)OC(C)C1	REAL300007405031	1	59	0.0	-61.00	410.81	9.96	-51.04
CC(C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)[NH+]1CCCCCC1	REAL300007405032	0	52	0.0	-63.56	349.15	9.79	-53.77
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C[N@H+]1CCC[C@H]1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007405036	1	43	0.0	-72.75	309.21	7.53	-65.22
CC(C)(C)[NH2+]CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007405121	0	45	0.0	-67.07	330.81	7.34	-59.73
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)O1	REAL300007405123	0	52	0.0	-57.56	386.77	10.86	-46.70
O=C([O-])CC1CCN(C(=O)CCCC[NH+]2CCCC2)CCC1(F)F	REAL300007405124	0	52	0.0	-73.66	383.19	10.98	-62.68
CC1=CC=C(N2CCC(C(=O)N3CCC(CC(=O)[O-])C(F)(F)CC3)CC2)[NH+]=C1	REAL300007405126	1	55	0.0	-73.66	401.67	10.46	-63.20
C[N@H+](CC(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1)CC1=CC=CC=C1	REAL300007405127	1	49	0.0	-72.50	368.50	11.22	-61.28
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C[NH+](C)CC1=CC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)=NO1	REAL300007405184	1	45	0.0	-77.36	345.84	8.61	-68.75
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007405188	0	56	0.0	-71.48	410.33	12.18	-59.30
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007405188	1	56	0.0	-86.24	412.30	11.86	-74.38
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007405202	0	49	0.0	-65.04	348.46	9.36	-55.68
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007405202	1	49	0.0	-64.48	346.23	9.47	-55.01
C[NH+]1CCC(OCC(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC1	REAL300007405225	0	50	0.0	-79.25	371.76	9.76	-69.49
O=C([O-])CC1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCC1(F)F	REAL300007405229	0	53	0.0	-57.97	391.44	11.28	-46.69
CCC[N@@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007405417	0	52	0.0	-69.92	370.83	10.37	-59.55
CCC[N@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007405417	1	52	0.0	-64.03	364.50	10.01	-54.02
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007405448	0	52	0.0	-63.73	363.62	9.93	-53.80
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007405448	1	52	0.0	-64.23	371.74	10.47	-53.76
O=C([O-])CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)CCC1(F)F	REAL300007405449	0	50	0.0	-73.79	363.94	6.15	-67.64
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007405675	0	52	0.0	-57.58	370.35	9.91	-47.67
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007405675	1	52	0.0	-78.38	369.10	9.71	-68.67
C[N@@H+]1CC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C(C(F)(F)F)C1	REAL300007405676	0	46	0.0	-73.97	340.34	8.97	-65.00
C[N@H+]1CC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C(C(F)(F)F)C1	REAL300007405676	1	46	0.0	-76.40	345.59	8.53	-67.87
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)N1	REAL300007405702	1	47	0.0	-65.83	361.74	8.91	-56.92
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)=C1	REAL300007406193	0	52	0.0	-70.65	386.10	11.43	-59.22
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C=C1	REAL300007406200	0	53	0.0	-81.04	399.17	10.55	-70.49
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007406337	0	46	0.0	-69.92	334.48	9.13	-60.79
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)CC1	REAL300007406341	0	52	0.0	-59.45	355.99	9.35	-50.10
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(CC(=O)[O-])C(F)(F)CC3)=CN12	REAL300007406345	0	44	0.0	-75.06	346.23	10.07	-64.99
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007406407	0	55	0.0	-63.80	376.60	11.16	-52.64
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007406407	1	55	0.0	-64.04	381.74	11.18	-52.86
CC[N@@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007406408	0	49	0.0	-62.88	339.95	9.81	-53.07
CC[N@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007406408	1	49	0.0	-63.22	342.89	9.75	-53.47
C[N@@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007406413	0	46	0.0	-71.21	331.66	8.95	-62.26
C[N@H+]1CCCC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007406413	1	46	0.0	-74.39	330.08	8.93	-65.46
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)O1	REAL300007406415	1	46	0.0	-61.04	350.94	9.50	-51.54
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007406421	0	55	0.0	-76.63	361.91	9.66	-66.97
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C1	REAL300007406421	1	55	0.0	-91.56	365.16	9.02	-82.54
O=C([O-])CC1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CCC1(F)F	REAL300007406424	1	48	0.0	-64.79	328.79	9.38	-55.41
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)CC2	REAL300007407467	0	57	0.0	-87.96	430.36	13.53	-74.43
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300007408039	0	54	0.0	-75.09	411.05	12.96	-62.13
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300007408039	1	54	0.0	-73.11	408.61	12.90	-60.21
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CC[NH+](C3CC3)CC1)CC2	REAL300007408896	0	51	0.0	-81.02	378.94	11.22	-69.80
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCC[N@@H+]1C1CC1)CC2	REAL300007408922	0	48	0.0	-74.52	358.10	10.33	-64.19
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCC[N@H+]1C1CC1)CC2	REAL300007408922	1	48	0.0	-70.25	360.20	10.64	-59.61
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=CC=CC(CC(=O)[O-])=C4C3)CN12	REAL300007408928	1	49	0.0	-72.81	377.59	11.06	-61.75
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC2	REAL300007408929	0	57	0.0	-72.19	417.89	12.75	-59.44
C[N@@H+]1CCCCC1C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409008	0	47	0.0	-77.05	341.57	9.74	-67.31
C[N@H+]1CCCCC1C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409008	1	47	0.0	-71.78	336.79	9.44	-62.34
CC(C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)N1CC[NH+](C)CC1	REAL300007409009	1	52	0.0	-78.13	379.37	8.10	-70.03
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409050	0	47	0.0	-69.90	348.36	9.96	-59.94
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409050	1	47	0.0	-71.74	336.80	9.44	-62.30
C[NH+]1CCC(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)CC1	REAL300007409134	0	47	0.0	-84.17	354.16	10.01	-74.16
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)CC2	REAL300007409163	0	42	0.0	-55.90	344.30	11.79	-44.11
C[NH+](C)CC1(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)CCCCC1	REAL300007409198	0	56	0.0	-82.71	376.62	11.45	-71.26
C[N@H+](CCC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)C1CCCCC1	REAL300007409203	0	56	0.0	-80.22	407.82	12.10	-68.12
C[N@@H+](CCC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)C1CCCCC1	REAL300007409203	1	56	0.0	-80.68	407.80	12.09	-68.59
C[N@@H+]1CCCC1C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409219	0	44	0.0	-75.67	328.43	8.98	-66.69
C[N@H+]1CCCC1C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409219	1	44	0.0	-72.88	328.16	8.96	-63.92
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CC2	REAL300007409224	1	54	0.0	-71.60	412.01	12.61	-58.99
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CC2	REAL300007409224	1	54	0.0	-78.85	414.29	12.91	-65.94
C[NH+]1CCC(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)CC1	REAL300007409275	0	47	0.0	-84.17	354.16	10.01	-74.16
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)CC2	REAL300007409279	0	50	0.0	-85.22	394.74	10.62	-74.60
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)CC2	REAL300007409299	0	57	0.0	-69.23	404.22	12.16	-57.07
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCCC[N@H+]1C1CCCC1)CC2	REAL300007409299	1	57	0.0	-70.91	400.78	12.05	-58.86
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCC([NH+]3CCOCC3)CC1)CC2	REAL300007409300	0	58	0.0	-87.26	421.57	10.61	-76.65
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409335	1	48	0.0	-77.24	380.38	11.40	-65.84
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCCC[NH+]1CCOCC1)CC2	REAL300007409336	1	54	0.0	-84.30	407.68	10.08	-74.22
CC[N@H+](CC1=CC=C(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)C=C1)C(C)C	REAL300007409339	0	59	0.0	-86.74	429.15	12.98	-73.76
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)C=C1)C(C)C	REAL300007409339	1	59	0.0	-66.39	424.89	13.05	-53.34
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409342	0	44	0.0	-75.19	328.22	8.98	-66.21
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409342	1	44	0.0	-72.29	332.05	9.30	-62.99
C[NH+](C)C1(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)CC1	REAL300007409351	0	44	0.0	-76.71	328.86	8.85	-67.86
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)CC2	REAL300007409397	0	54	0.0	-80.07	411.00	12.78	-67.29
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)CC2	REAL300007409397	1	54	0.0	-78.23	410.78	12.76	-65.47
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CC[NH+](C3CCSC3)CC1)CC2	REAL300007409398	0	55	0.0	-89.52	413.37	12.24	-77.28
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CC1([NH+]3CCOCC3)CCCC1)CC2	REAL300007409422	0	58	0.0	-79.60	406.22	10.35	-69.25
CCC(C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)[NH+](CC)CC	REAL300007409426	0	52	0.0	-67.45	370.75	10.59	-56.86
CC(C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300007409428	0	53	0.0	-75.32	400.13	12.31	-63.01
CC(C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007409428	1	53	0.0	-73.70	400.75	12.33	-61.37
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)C=N1	REAL300007409461	0	49	0.0	-66.45	381.59	9.61	-56.84
CCC[NH+](CCC)CCCC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409467	0	58	0.0	-80.03	431.96	12.71	-67.32
CC[N@H+](C)C(C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300007409468	0	53	0.0	-69.57	391.63	12.25	-57.32
CC[N@@H+](C)C(C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300007409468	1	53	0.0	-74.11	395.57	12.75	-61.36
C[N@@H+]1CCOC(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)C1	REAL300007409470	1	45	0.0	-92.15	339.85	8.63	-83.52
C[N@H+]1CCOC(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)C1	REAL300007409470	1	45	0.0	-80.82	332.60	8.43	-72.39
CC[NH+](CC)C(C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300007409472	0	56	0.0	-72.64	405.67	12.70	-59.94
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409481	1	48	0.0	-70.57	375.05	11.17	-59.40
C[NH+](C)C(C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)C1=CC=C(Cl)C=C1	REAL300007409486	1	50	0.0	-71.08	390.76	12.06	-59.02
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)CC2	REAL300007409499	0	54	0.0	-65.07	410.65	12.70	-52.37
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)CC2	REAL300007409506	0	57	0.0	-68.94	428.74	13.48	-55.46
C[NH+](C)CC1(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)CC1	REAL300007409511	0	47	0.0	-71.45	357.34	10.01	-61.44
C[NH+](C)CCCCC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409520	0	49	0.0	-82.68	374.76	10.62	-72.06
CC(C)C(C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)[NH+](C)C	REAL300007409529	0	49	0.0	-75.73	353.12	9.99	-65.74
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300007409542	0	57	0.0	-70.60	413.39	12.98	-57.62
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300007409542	1	57	0.0	-75.16	418.46	13.30	-61.86
CC1=C(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)C=NN1C1=CC=[NH+]C=C1	REAL300007409544	1	48	0.0	-74.68	384.54	9.99	-64.69
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)CC2	REAL300007409552	0	57	0.0	-89.09	427.28	13.44	-75.65
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)CC2	REAL300007409566	1	50	0.0	-73.62	390.95	10.92	-62.70
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)C=C1	REAL300007409567	0	53	0.0	-69.63	408.35	12.40	-57.23
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409578	1	46	0.0	-69.54	359.31	8.98	-60.56
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)CC2	REAL300007409580	1	55	0.0	-91.81	416.40	12.20	-79.61
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)CC2	REAL300007409580	1	55	0.0	-85.10	409.42	12.01	-73.09
CCC[N@H+](C)CC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409589	0	46	0.0	-75.23	348.57	9.85	-65.38
CCC[N@@H+](C)CC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007409589	1	46	0.0	-75.13	348.63	9.85	-65.28
C[N@H+](CC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)C1CCC1	REAL300007409612	0	47	0.0	-72.49	355.56	10.42	-62.07
C[N@@H+](CC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)C1CCC1	REAL300007409612	1	47	0.0	-72.56	355.59	10.41	-62.15
CC(C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)[NH+]1CCSCC1	REAL300007409637	1	48	0.0	-74.92	366.49	10.35	-64.57
C[N@H+](CC(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1)CC(C)(C)C	REAL300007409643	0	52	0.0	-75.01	377.18	10.83	-64.18
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CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007415832	0	42	0.0	-70.20	331.55	5.17	-65.03
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C[NH+]1CCN(CC2=CC=C(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300007415921	0	50	0.0	-73.12	396.67	7.39	-65.73
CN1CC[NH+](CC2=CC=C(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300007415921	1	50	0.0	-76.01	395.74	7.19	-68.82
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C=C1	REAL300007415922	0	51	0.0	-72.61	399.21	8.84	-63.77
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)CC1	REAL300007415929	0	44	0.0	-69.20	335.18	7.09	-62.11
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CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007416089	0	44	0.0	-64.15	331.38	7.26	-56.89
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007416089	1	44	0.0	-64.59	332.10	7.27	-57.32
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007416091	0	41	0.0	-60.61	331.11	8.16	-52.45
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CCN1CC[NH+](CCC(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)CC1	REAL300007416093	1	46	0.0	-70.38	357.35	4.99	-65.39
CC(C)C(C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300007416096	0	47	0.0	-63.14	349.33	8.55	-54.59
C[NH+](C)C(C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300007416097	1	41	0.0	-64.58	334.58	7.96	-56.62
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CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007416107	1	42	0.0	-63.02	345.77	7.61	-55.41
C[NH+](C)CC1=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)OC2=CC=CC=C21	REAL300007416108	0	44	0.0	-66.08	359.17	8.30	-57.78
O=C([O-])[C@@H]1C[C@H](NC(=O)C2CCC[N@@H+]2C2CCCC2)CS1	REAL300007416112	0	45	0.0	-59.28	335.43	7.83	-51.45
O=C([O-])[C@@H]1C[C@H](NC(=O)C2CCC[N@H+]2C2CCCC2)CS1	REAL300007416112	1	45	0.0	-65.79	334.18	7.70	-58.09
CC(C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300007416138	0	44	0.0	-63.35	329.30	6.90	-56.45
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)=CC=C1N2	REAL300007416168	1	46	0.0	-76.70	373.05	8.35	-68.35
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)=CC=C1N2	REAL300007416168	1	46	0.0	-76.60	373.34	8.36	-68.24
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)O1	REAL300007416222	0	44	0.0	-70.48	360.27	7.65	-62.83
O=C(CCCC[NH+]1CCCC1)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007416223	0	44	0.0	-69.95	350.87	7.77	-62.18
CC1=CC=C(N2CCC(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)CC2)[NH+]=C1	REAL300007416224	1	47	0.0	-66.58	373.64	7.39	-59.19
C[N@H+](CC(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300007416225	1	41	0.0	-70.26	336.22	8.16	-62.10
C[N@@H+](CC(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300007416225	1	41	0.0	-70.26	336.28	8.16	-62.10
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300007416228	0	53	0.0	-72.74	405.72	8.42	-64.32
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007416272	0	48	0.0	-73.97	385.35	9.55	-64.42
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007416272	1	48	0.0	-71.96	382.25	9.49	-62.47
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C=C1	REAL300007416290	0	49	0.0	-75.07	402.36	8.94	-66.13
C[NH+]1CCC(OCC(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)CC1	REAL300007416305	0	42	0.0	-74.59	339.87	6.56	-68.03
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CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300007416341	0	47	0.0	-70.55	374.20	7.65	-62.90
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300007416341	1	47	0.0	-66.67	372.96	7.75	-58.92
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C1	REAL300007416476	0	44	0.0	-63.33	337.36	7.69	-55.64
CCC[N@H+]1CCCC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C1	REAL300007416476	1	44	0.0	-67.86	343.96	7.47	-60.39
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007416504	0	44	0.0	-65.57	322.04	7.16	-58.41
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007416504	1	44	0.0	-63.58	344.16	7.64	-55.94
O=C([O-])[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(CO)CC2)CS1	REAL300007416507	1	42	0.0	-70.99	333.32	3.64	-67.35
O=C([O-])[C@@H]1C[C@H](NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CS1	REAL300007416591	0	49	0.0	-70.80	388.59	10.00	-60.80
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CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C1	REAL300007416706	0	44	0.0	-66.22	338.79	7.25	-58.97
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C1	REAL300007416706	1	44	0.0	-66.00	339.14	7.24	-58.76
C[N@@H+]1CC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300007416707	0	38	0.0	-71.54	316.69	6.09	-65.45
C[N@H+]1CC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300007416707	1	38	0.0	-73.39	317.59	5.95	-67.44
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)=C1	REAL300007417147	0	44	0.0	-73.35	360.16	8.75	-64.60
C[NH+](C)CCOC1=CC=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C=C1	REAL300007417153	0	45	0.0	-74.47	367.82	7.76	-66.71
O=C([O-])[C@@H]1C[C@H](NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CS1	REAL300007417231	0	51	0.0	-69.83	399.63	10.40	-59.43
CC1C[N@H+](CC2=CC=C(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)C=C2)CCO1	REAL300007417233	1	49	0.0	-76.98	385.04	8.09	-68.89
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)C=C2)CCO1	REAL300007417233	1	49	0.0	-77.88	392.17	8.16	-69.72
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)CC1	REAL300007417267	0	44	0.0	-62.55	331.12	7.18	-55.37
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C1	REAL300007417321	0	47	0.0	-63.45	352.02	8.36	-55.09
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C1	REAL300007417321	1	47	0.0	-63.45	352.02	8.36	-55.09
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C1	REAL300007417329	0	47	0.0	-68.82	341.22	7.20	-61.62
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C1	REAL300007417329	1	47	0.0	-68.82	341.22	7.20	-61.62
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007418146	0	53	0.0	-76.12	395.85	11.38	-64.74
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300007419262	0	47	0.0	-53.57	346.39	9.17	-44.40
CC1=[NH+]C=C2CCC(C(=O)N3CCC[C@H](C(F)(F)F)[C@@H]3C(=O)[O-])CN12	REAL300007419286	1	45	0.0	-61.83	346.97	9.12	-52.71
CC(C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])N1CC[NH+](C)CC1	REAL300007419350	1	48	0.0	-69.31	354.02	6.37	-62.94
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419380	0	43	0.0	-58.47	319.19	8.05	-50.42
C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419380	1	43	0.0	-58.22	311.39	7.65	-50.57
C[NH+]1CCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007419444	0	43	0.0	-77.39	322.26	8.00	-69.39
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300007419471	0	38	0.0	-70.94	307.39	9.62	-61.32
C[NH+](C)CC1(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CCCCC1	REAL300007419500	0	52	0.0	-56.10	357.12	9.22	-46.88
C[N@H+](CCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CCCCC1	REAL300007419504	0	52	0.0	-69.44	376.94	10.10	-59.34
C[N@@H+](CCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CCCCC1	REAL300007419504	1	52	0.0	-70.17	376.92	10.10	-60.07
C[N@@H+]1CCCC1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419517	0	40	0.0	-66.65	297.10	7.01	-59.64
C[N@H+]1CCCC1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419517	1	40	0.0	-60.60	297.16	6.96	-53.64
C[NH+]1CCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007419563	0	43	0.0	-77.39	322.26	8.00	-69.39
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007419566	0	46	0.0	-77.27	367.86	8.75	-68.52
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007419577	0	54	0.0	-60.43	388.77	8.54	-51.89
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419608	1	44	0.0	-68.81	349.62	9.40	-59.41
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300007419609	1	50	0.0	-75.43	376.92	8.08	-67.35
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419613	0	40	0.0	-66.67	296.63	6.98	-59.69
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419613	1	40	0.0	-63.09	300.03	7.22	-55.87
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007419646	0	50	0.0	-69.40	379.47	10.78	-58.62
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007419646	1	50	0.0	-68.28	379.65	10.74	-57.54
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007419647	0	51	0.0	-76.61	376.73	9.92	-66.69
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007419670	0	54	0.0	-69.91	375.43	8.37	-61.54
CCC(C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[NH+](CC)CC	REAL300007419674	0	48	0.0	-58.71	340.08	8.75	-49.96
CC(C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300007419676	0	49	0.0	-60.19	370.84	10.35	-49.84
CC(C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300007419676	1	49	0.0	-64.90	371.49	10.40	-54.50
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C=N1	REAL300007419695	0	45	0.0	-74.22	350.43	7.76	-66.46
CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419698	0	54	0.0	-70.77	396.70	10.40	-60.37
C[N@@H+]1CCOC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007419700	1	41	0.0	-56.00	304.63	6.52	-49.48
C[N@H+]1CCOC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007419700	1	41	0.0	-73.10	305.05	6.54	-66.56
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419707	1	44	0.0	-60.59	344.26	9.20	-51.39
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007419722	0	50	0.0	-81.95	381.00	10.73	-71.22
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300007419727	0	53	0.0	-76.35	396.29	11.46	-64.89
C[NH+](C)CC1(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007419730	0	43	0.0	-73.98	326.25	8.01	-65.97
C[NH+](C)CCCCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419737	0	45	0.0	-74.20	344.01	8.63	-65.57
CC1=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007419756	1	44	0.0	-79.15	356.16	8.07	-71.08
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300007419759	0	53	0.0	-82.06	398.31	11.49	-70.57
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007419769	1	46	0.0	-78.78	359.82	8.93	-69.85
C[NH+](C)CCC1=CC=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C=C1	REAL300007419770	0	49	0.0	-82.65	379.24	10.47	-72.18
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419775	1	42	0.0	-59.32	331.28	7.10	-52.22
CCC[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419782	0	42	0.0	-63.94	317.85	7.88	-56.06
CCC[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419782	1	42	0.0	-63.89	317.84	7.88	-56.01
C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CCC1	REAL300007419796	0	43	0.0	-61.72	324.73	8.44	-53.28
C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CCC1	REAL300007419796	1	43	0.0	-61.22	324.86	8.44	-52.78
CC(C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[NH+]1CCSCC1	REAL300007419817	1	44	0.0	-68.42	328.77	8.11	-60.31
C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])CC(C)(C)C	REAL300007419821	0	48	0.0	-63.76	346.64	8.80	-54.96
C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])CC(C)(C)C	REAL300007419821	1	48	0.0	-62.46	348.66	9.03	-53.43
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419823	0	49	0.0	-67.00	377.76	10.89	-56.11
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419823	1	49	0.0	-66.96	377.75	10.90	-56.06
COCCOCC[N@H+](C)CCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419824	0	53	0.0	-68.89	406.57	7.11	-61.78
COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419824	1	53	0.0	-71.95	406.70	7.13	-64.82
CC[C@@H](C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[NH+](C)C	REAL300007419827	0	42	0.0	-59.95	302.79	7.21	-52.74
C[N@@H+]1CCCC(O)(CC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007419829	0	47	0.0	-69.74	345.64	6.89	-62.85
C[N@H+]1CCCC(O)(CC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007419829	1	47	0.0	-66.70	349.11	6.88	-59.82
CCCCCC[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419841	0	51	0.0	-65.02	382.34	10.21	-54.81
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419841	1	51	0.0	-65.00	382.33	10.22	-54.78
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300007419855	1	38	0.0	-77.38	306.02	9.61	-67.77
C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CCSC1	REAL300007419864	0	44	0.0	-69.65	337.64	8.65	-61.00
C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CCSC1	REAL300007419864	1	44	0.0	-66.21	337.42	8.67	-57.54
CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007419879	0	54	0.0	-72.29	393.87	7.68	-64.61
CC(C)N1CC[NH+](CCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007419879	1	54	0.0	-68.90	390.79	7.51	-61.39
CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007419880	0	57	0.0	-69.59	415.47	8.47	-61.12
CC(C)N1CC[NH+](CCCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007419880	1	57	0.0	-71.73	412.00	8.27	-63.46
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300007419881	0	47	0.0	-57.30	334.67	8.93	-48.37
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300007419881	1	47	0.0	-61.93	331.90	8.55	-53.38
C[NH+](C)CCN1C=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C=N1	REAL300007419883	0	46	0.0	-81.10	358.82	7.62	-73.48
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300007419888	0	52	0.0	-62.17	393.04	9.63	-52.54
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300007419888	1	52	0.0	-72.23	391.30	9.65	-62.58
CC(C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007419893	1	50	0.0	-65.82	372.45	10.75	-55.07
CC(C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007419893	1	50	0.0	-64.91	375.01	10.77	-54.14
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007419908	0	53	0.0	-74.91	401.07	11.64	-63.27
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007419908	1	53	0.0	-74.69	402.09	11.66	-63.03
C[NH+](C)CCN1C=CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300007419921	0	46	0.0	-86.80	359.89	8.26	-78.54
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419922	0	46	0.0	-66.49	357.43	7.68	-58.81
C[C@@H]1[C@H](C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC[N@@H+]1C	REAL300007419924	0	43	0.0	-66.76	313.59	7.86	-58.90
C[C@@H]1[C@H](C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC[N@H+]1C	REAL300007419924	1	43	0.0	-70.79	320.07	7.66	-63.13
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419925	1	47	0.0	-63.52	364.57	9.73	-53.79
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC[N@@H+]1C	REAL300007419928	0	46	0.0	-69.19	331.08	7.96	-61.23
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC[N@H+]1C	REAL300007419928	1	46	0.0	-64.88	335.62	8.42	-56.46
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=NN1	REAL300007419930	1	47	0.0	-80.15	361.44	7.83	-72.32
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=NN1	REAL300007419930	1	47	0.0	-78.98	361.31	7.77	-71.21
CC1C[N@H+](C)CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])O1	REAL300007419935	1	44	0.0	-81.98	326.16	7.04	-74.94
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])O1	REAL300007419935	1	44	0.0	-74.86	324.92	6.98	-67.88
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C[NH+]1CCCC1	REAL300007419942	0	40	0.0	-63.03	302.85	7.56	-55.47
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419944	1	38	0.0	-62.74	307.62	8.03	-54.71
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007419946	1	47	0.0	-69.95	348.29	6.99	-62.96
CC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007419965	0	46	0.0	-63.91	341.07	8.93	-54.98
CC[N@@H+]1CCOC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007419976	1	44	0.0	-48.97	328.53	7.35	-41.62
CC[N@H+]1CCOC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007419976	1	44	0.0	-71.10	329.24	7.33	-63.77
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007420005	0	53	0.0	-69.06	380.20	10.25	-58.81
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007420005	1	53	0.0	-70.34	379.68	10.16	-60.18
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420011	0	46	0.0	-70.38	340.19	8.49	-61.89
C[N@H+]1CCCC1CCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420011	1	46	0.0	-74.63	341.74	8.82	-65.81
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300007420022	0	47	0.0	-59.89	342.63	9.20	-50.69
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300007420022	1	47	0.0	-62.45	338.59	8.93	-53.52
CC[NH+](CC)CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420042	0	42	0.0	-62.62	314.19	7.80	-54.82
CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007420044	0	49	0.0	-69.60	353.92	9.05	-60.55
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C12CC[NH+](CC1)C2	REAL300007420111	0	41	0.0	-74.34	302.36	6.69	-67.65
CCC(C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[NH+](C)C	REAL300007420114	0	42	0.0	-64.56	308.11	7.53	-57.03
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300007420121	0	44	0.0	-72.23	311.98	7.35	-64.88
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300007420121	1	44	0.0	-72.02	310.95	7.25	-64.77
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420156	0	46	0.0	-62.66	326.07	8.02	-54.64
C[NH+](C)CC1=CC=CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=C1	REAL300007420157	0	46	0.0	-78.25	354.94	9.61	-68.64
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300007420158	0	53	0.0	-72.81	390.82	11.71	-61.10
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300007420158	1	53	0.0	-60.01	390.06	11.43	-48.58
C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007420206	0	45	0.0	-74.39	344.80	9.07	-65.32
CC[NH+]1CCN(CCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007420208	0	51	0.0	-73.93	376.81	7.14	-66.79
CCN1CC[NH+](CCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007420208	1	51	0.0	-68.97	377.18	7.16	-61.81
CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420209	0	42	0.0	-61.70	313.02	7.67	-54.03
CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420209	1	42	0.0	-60.83	313.04	7.65	-53.18
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420214	1	47	0.0	-62.40	363.98	9.63	-52.77
CC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CC1	REAL300007420221	0	43	0.0	-60.06	327.21	8.49	-51.57
CC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CC1	REAL300007420221	1	43	0.0	-62.32	319.91	8.35	-53.97
CC(C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[NH+]1CCCCCC1	REAL300007420245	0	49	0.0	-60.62	345.39	8.79	-51.83
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420248	0	40	0.0	-50.07	304.25	7.39	-42.68
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420248	1	40	0.0	-60.57	296.63	6.95	-53.62
CC(C)(C)[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420315	0	42	0.0	-62.11	317.47	6.16	-55.95
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])O1	REAL300007420317	0	49	0.0	-78.63	370.96	9.29	-69.34
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300007420318	0	49	0.0	-72.58	368.95	9.74	-62.84
CC1=CC=C(N2CCC(C(=O)N3CCC[C@H](C(F)(F)F)[C@@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300007420320	1	52	0.0	-71.59	392.19	9.46	-62.13
C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300007420321	1	46	0.0	-67.69	355.28	10.06	-57.63
C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300007420321	1	46	0.0	-67.50	354.85	10.01	-57.49
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007420345	1	41	0.0	-77.23	335.36	7.57	-69.66
C[NH+](C)CC1=CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=NO1	REAL300007420366	1	42	0.0	-79.98	334.23	7.76	-72.22
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420370	0	53	0.0	-66.47	397.42	11.40	-55.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420370	1	53	0.0	-69.67	396.13	11.54	-58.13
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420382	0	46	0.0	-60.65	332.89	8.31	-52.34
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300007420382	1	46	0.0	-58.85	326.59	8.66	-50.19
C[NH+]1CCC(OCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007420399	0	47	0.0	-77.48	358.55	8.63	-68.85
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007420403	0	50	0.0	-76.71	380.41	10.03	-66.68
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007420545	0	49	0.0	-74.38	362.01	9.42	-64.96
CCC[N@H+]1CCCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007420545	1	49	0.0	-60.80	352.18	9.46	-51.34
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300007420569	0	47	0.0	-67.65	351.92	5.61	-62.04
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007420738	0	49	0.0	-74.25	356.57	9.15	-65.10
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007420738	1	49	0.0	-66.22	348.76	9.33	-56.89
C[N@@H+]1CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300007420739	0	43	0.0	-70.01	339.14	8.06	-61.95
C[N@H+]1CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300007420739	1	43	0.0	-84.52	326.45	8.42	-76.10
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])N1	REAL300007420762	1	44	0.0	-63.48	349.74	7.83	-55.65
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=C1	REAL300007421143	0	49	0.0	-77.23	377.44	10.45	-66.78
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C=C1	REAL300007421150	0	50	0.0	-79.51	386.58	9.41	-70.10
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007421264	0	43	0.0	-74.28	327.64	8.18	-66.10
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300007421268	0	49	0.0	-57.92	346.81	8.89	-49.03
CC1=[NH+]C=C2C=CC(C(=O)N3CCC[C@H](C(F)(F)F)[C@@H]3C(=O)[O-])=CN12	REAL300007421272	0	41	0.0	-66.28	328.73	9.38	-56.90
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007421321	0	52	0.0	-73.25	379.46	10.10	-63.15
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007421321	1	52	0.0	-56.02	374.95	9.88	-46.14
CC[N@@H+]1CCCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007421322	0	46	0.0	-70.29	337.75	8.52	-61.77
CC[N@H+]1CCCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007421322	1	46	0.0	-64.42	340.56	8.67	-55.75
C[N@@H+]1CCCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007421327	0	43	0.0	-76.66	322.43	8.01	-68.65
C[N@H+]1CCCC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300007421327	1	43	0.0	-59.36	313.54	8.07	-51.29
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])O1	REAL300007421329	1	43	0.0	-81.55	339.56	8.21	-73.34
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300007421337	0	45	0.0	-58.21	333.72	8.90	-49.31
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300007421337	1	45	0.0	-66.26	333.88	8.63	-57.63
CCCOC1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007421408	0	53	0.0	-48.94	394.94	7.85	-41.09
CCCOC1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007421408	1	53	0.0	-49.69	394.85	7.86	-41.83
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OC(F)(F)F	REAL300007421528	0	47	0.0	-51.13	371.77	8.18	-42.95
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OC(F)(F)F	REAL300007421528	1	47	0.0	-51.15	371.88	8.18	-42.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CO)C23CC4CC(CC(C4)C2)C3)C1	REAL300007421655	0	58	0.0	-44.50	390.61	6.93	-37.57
O=C([O-])C1CCC[N@H+](CC(=O)NC(CO)C23CC4CC(CC(C4)C2)C3)C1	REAL300007421655	1	58	0.0	-45.35	391.42	7.38	-37.97
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007421803	0	51	0.0	-53.10	398.18	10.36	-42.74
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007421803	1	51	0.0	-51.57	392.96	10.36	-41.21
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2C[C@H](C(F)(F)F)C2)C1	REAL300007421894	0	40	0.0	-51.82	322.48	6.87	-44.95
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2C[C@H](C(F)(F)F)C2)C1	REAL300007421894	1	40	0.0	-48.70	314.94	6.43	-42.27
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC2=CC=CC=C2C1	REAL300007422005	0	53	0.0	-49.44	393.08	10.63	-38.81
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC2=CC=CC=C2C1	REAL300007422005	1	53	0.0	-48.95	387.71	10.69	-38.26
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCCOCC2)C1	REAL300007422124	0	45	0.0	-45.51	308.26	4.06	-41.45
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCCOCC2)C1	REAL300007422124	1	45	0.0	-47.24	324.13	4.53	-42.71
COC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300007422250	0	46	0.0	-50.10	355.13	4.96	-45.14
COC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300007422250	1	46	0.0	-50.12	355.16	4.96	-45.16
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=C(C(F)(F)F)C=C2)C(F)F)C1	REAL300007422349	1	46	0.0	-51.36	375.14	9.47	-41.89
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=C(C(F)(F)F)C=C2)C(F)F)C1	REAL300007422349	1	46	0.0	-53.51	383.25	9.47	-44.04
CC1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OCC2=CC=CC=C2)C1	REAL300007422438	0	60	0.0	-45.93	446.95	10.36	-35.57
CC1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OCC2=CC=CC=C2)C1	REAL300007422438	1	60	0.0	-48.36	440.73	10.60	-37.76
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C12CC3CC(CC(C3)C1)C2	REAL300007424121	0	58	0.0	-72.64	398.41	10.86	-61.78
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C34CC5CC(CC(C5)C3)C4)CN21	REAL300007424144	1	56	0.0	-65.45	395.92	10.79	-54.66
CC(C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)N1CC[NH+](C)CC1	REAL300007424203	1	59	0.0	-72.68	400.66	7.88	-64.80
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424230	1	54	0.0	-56.18	370.26	9.65	-46.53
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424230	1	54	0.0	-62.93	357.47	9.36	-53.57
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007424284	0	54	0.0	-75.25	372.87	9.72	-65.53
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C12CC3CC(CC(C3)C1)C2	REAL300007424311	0	49	0.0	-72.67	357.53	11.53	-61.14
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CCCCC1	REAL300007424336	0	63	0.0	-80.89	405.95	12.35	-68.54
C[N@H+](CCC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CCCCC1	REAL300007424340	0	63	0.0	-70.93	427.39	11.59	-59.34
C[N@@H+](CCC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CCCCC1	REAL300007424340	1	63	0.0	-68.94	426.71	11.65	-57.29
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424353	0	51	0.0	-66.78	348.26	8.61	-58.17
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424353	1	51	0.0	-67.79	348.97	8.55	-59.24
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007424400	0	54	0.0	-75.25	372.87	9.72	-65.53
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424441	1	55	0.0	-69.16	399.28	10.94	-58.22
O=C(CCCC[NH+]1CCOCC1)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424442	1	61	0.0	-77.04	425.64	9.61	-67.43
C[C@@H](C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[NH+](C)C	REAL300007424446	0	50	0.0	-61.00	346.87	8.41	-52.59
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424447	0	51	0.0	-67.66	348.97	8.54	-59.12
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424447	1	51	0.0	-61.23	354.05	9.07	-52.16
C[C@H](C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[NH+](C)C	REAL300007424450	0	50	0.0	-59.78	346.44	8.47	-51.31
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C12CC3CC(CC(C3)C1)C2	REAL300007424481	0	61	0.0	-69.92	433.28	12.50	-57.42
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C12CC3CC(CC(C3)C1)C2	REAL300007424481	1	61	0.0	-69.74	432.16	12.39	-57.35
CCC(C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[NH+](CC)CC	REAL300007424506	0	59	0.0	-56.62	394.79	10.35	-46.27
CC(C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300007424508	0	60	0.0	-66.51	423.73	11.99	-54.52
CC(C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[N@@H+](C)CC1=CC=CC=C1	REAL300007424508	1	60	0.0	-62.03	423.87	12.00	-50.03
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C=N1	REAL300007424524	0	56	0.0	-80.12	401.32	10.02	-70.10
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424527	0	65	0.0	-72.84	451.53	12.21	-60.63
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007424528	1	52	0.0	-84.44	365.67	8.50	-75.94
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007424528	1	52	0.0	-83.66	364.73	8.46	-75.20
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424536	1	55	0.0	-61.29	398.35	10.77	-50.52
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C12CC3CC(CC(C3)C1)C2	REAL300007424547	0	61	0.0	-86.41	431.94	12.64	-73.77
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007424553	0	54	0.0	-55.79	374.60	10.04	-45.75
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424558	0	56	0.0	-77.77	394.34	10.13	-67.64
CC1=C(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C=NN1C1=CC=[NH+]C=C1	REAL300007424575	1	55	0.0	-84.28	404.76	9.88	-74.40
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C12CC3CC(CC(C3)C1)C2	REAL300007424584	1	57	0.0	-81.14	412.82	10.23	-70.91
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C=C1	REAL300007424585	0	60	0.0	-89.23	428.95	12.40	-76.83
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424590	1	53	0.0	-62.31	378.28	9.07	-53.24
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424595	0	53	0.0	-63.19	368.20	9.40	-53.79
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424595	1	53	0.0	-61.02	366.59	9.42	-51.60
C[N@H+](CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CCC1	REAL300007424608	0	54	0.0	-60.28	375.07	9.98	-50.30
C[N@@H+](CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CCC1	REAL300007424608	1	54	0.0	-59.36	373.60	10.01	-49.35
C[N@H+](CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)CC(C)(C)C	REAL300007424629	0	59	0.0	-60.48	395.20	10.42	-50.06
C[N@@H+](CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)CC(C)(C)C	REAL300007424629	1	59	0.0	-62.98	399.11	10.56	-52.42
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424631	0	60	0.0	-65.90	428.11	12.43	-53.47
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424631	1	60	0.0	-64.60	427.44	12.49	-52.11
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424632	0	64	0.0	-68.88	455.51	8.62	-60.26
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424632	1	64	0.0	-70.63	457.15	8.62	-62.01
CC[C@@H](C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[NH+](C)C	REAL300007424634	0	53	0.0	-60.25	360.94	9.21	-51.04
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007424636	0	58	0.0	-69.46	394.82	8.43	-61.03
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007424636	1	58	0.0	-59.29	397.67	8.36	-50.93
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424648	0	62	0.0	-62.05	431.09	11.76	-50.29
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424648	1	62	0.0	-64.25	432.70	11.75	-52.50
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C12CC3CC(CC(C3)C1)C2	REAL300007424663	1	49	0.0	-80.34	357.80	11.53	-68.81
C[N@H+](CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CCSC1	REAL300007424671	0	55	0.0	-65.21	388.46	10.23	-54.98
C[N@@H+](CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CCSC1	REAL300007424671	1	55	0.0	-65.41	388.14	10.22	-55.19
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007424686	0	65	0.0	-74.06	444.32	9.16	-64.90
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007424686	1	65	0.0	-69.68	441.14	9.00	-60.68
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C12CC3CC(CC(C3)C1)C2	REAL300007424687	0	58	0.0	-57.01	393.44	10.82	-46.19
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C12CC3CC(CC(C3)C1)C2	REAL300007424687	1	58	0.0	-61.59	382.11	10.53	-51.06
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C=N1	REAL300007424689	0	57	0.0	-85.32	413.28	9.49	-75.83
CC(C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007424698	1	61	0.0	-62.16	423.36	12.61	-49.55
CC(C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[N@H+]1CCC2=CC=CC=C2C1	REAL300007424698	1	61	0.0	-64.11	424.01	12.56	-51.55
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300007424723	0	57	0.0	-93.69	413.66	9.51	-84.18
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424724	0	57	0.0	-63.24	408.94	9.46	-53.78
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C	REAL300007424726	0	54	0.0	-76.42	363.95	8.99	-67.43
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC[N@H+]1C	REAL300007424726	1	54	0.0	-74.63	370.07	9.44	-65.19
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424727	1	58	0.0	-63.43	413.32	11.22	-52.21
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C	REAL300007424730	0	57	0.0	-69.98	385.25	9.72	-60.26
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC[N@H+]1C	REAL300007424730	1	57	0.0	-64.78	388.92	10.31	-54.47
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)O1	REAL300007424737	1	55	0.0	-74.43	380.18	9.21	-65.22
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)O1	REAL300007424737	1	55	0.0	-86.11	387.61	9.17	-76.94
O=C([O-])C(NC(=O)C[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2	REAL300007424743	0	51	0.0	-60.84	352.38	9.18	-51.66
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424745	1	49	0.0	-59.28	356.77	9.63	-49.65
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424747	0	58	0.0	-71.24	400.33	8.73	-62.51
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007424766	0	57	0.0	-63.48	391.56	10.48	-53.00
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007424777	1	55	0.0	-54.40	376.34	9.00	-45.40
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007424777	1	55	0.0	-53.17	375.17	8.95	-44.22
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C12CC3CC(CC(C3)C1)C2	REAL300007424806	0	64	0.0	-69.96	434.29	11.98	-57.98
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C12CC3CC(CC(C3)C1)C2	REAL300007424806	1	64	0.0	-64.74	433.84	11.99	-52.75
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424811	0	57	0.0	-71.06	391.85	10.40	-60.66
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424811	1	57	0.0	-69.97	390.24	10.06	-59.91
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C12CC3CC(CC(C3)C1)C2	REAL300007424822	0	58	0.0	-57.08	395.22	10.98	-46.10
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C12CC3CC(CC(C3)C1)C2	REAL300007424822	1	58	0.0	-58.01	389.05	10.53	-47.48
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424841	0	53	0.0	-59.13	363.48	9.37	-49.76
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007424843	0	60	0.0	-76.59	407.88	10.84	-65.75
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C12CC3CC(CC(C3)C1)C2	REAL300007424908	0	52	0.0	-73.28	358.83	8.55	-64.73
CCC(C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[NH+](C)C	REAL300007424911	0	53	0.0	-58.36	359.39	8.99	-49.37
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C12CC3CC(CC(C3)C1)C2	REAL300007424918	0	55	0.0	-72.59	370.40	9.26	-63.33
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C12CC3CC(CC(C3)C1)C2	REAL300007424918	1	55	0.0	-75.64	370.61	9.20	-66.44
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424953	0	57	0.0	-57.90	384.11	9.89	-48.01
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=C1	REAL300007424954	0	57	0.0	-80.48	406.41	11.54	-68.94
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007424996	0	56	0.0	-79.18	398.74	10.85	-68.33
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007424998	0	62	0.0	-75.09	425.75	8.55	-66.54
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007424998	1	62	0.0	-68.25	426.91	8.70	-59.55
CC(C)[N@H+](C)CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424999	0	53	0.0	-60.46	363.40	9.20	-51.26
CC(C)[N@@H+](C)CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424999	1	53	0.0	-61.34	363.39	9.20	-52.14
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007425003	1	58	0.0	-65.13	414.38	11.14	-53.99
CC[N@H+](CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CC1	REAL300007425009	0	54	0.0	-59.27	372.50	9.88	-49.39
CC[N@@H+](CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CC1	REAL300007425009	1	54	0.0	-61.66	375.35	10.01	-51.65
CC(C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[NH+]1CCCCCC1	REAL300007425030	0	60	0.0	-60.05	391.85	10.70	-49.35
C[N@@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007425033	0	51	0.0	-63.45	354.92	9.01	-54.44
C[N@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007425033	1	51	0.0	-57.66	347.56	8.58	-49.08
CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007425090	0	53	0.0	-61.48	367.92	7.71	-53.77
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)O1	REAL300007425092	0	60	0.0	-82.07	424.18	10.95	-71.12
O=C([O-])C(NC(=O)CCCC[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2	REAL300007425093	0	60	0.0	-75.95	420.30	11.30	-64.65
C[N@H+](CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)CC1=CC=CC=C1	REAL300007425095	1	57	0.0	-66.74	405.63	11.59	-55.15
C[N@@H+](CC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)CC1=CC=CC=C1	REAL300007425095	1	57	0.0	-66.76	405.59	11.59	-55.17
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C12CC3CC(CC(C3)C1)C2	REAL300007425119	1	52	0.0	-82.14	388.27	9.44	-72.70
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=NO1	REAL300007425136	1	53	0.0	-84.12	387.05	8.97	-75.15
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007425148	0	57	0.0	-66.81	374.39	10.22	-56.59
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007425148	1	57	0.0	-59.21	386.17	10.14	-49.07
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007425163	0	58	0.0	-82.93	408.93	10.08	-72.85
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425287	0	60	0.0	-69.62	412.02	11.07	-58.55
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425287	1	60	0.0	-67.65	412.06	11.07	-56.58
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C12CC3CC(CC(C3)C1)C2	REAL300007425308	1	58	0.0	-63.76	402.39	7.17	-56.59
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425458	0	60	0.0	-66.72	407.20	10.84	-55.88
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425458	1	60	0.0	-67.30	406.26	10.80	-56.50
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C(C(F)(F)F)C1	REAL300007425459	0	54	0.0	-79.10	380.83	9.57	-69.53
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C(C(F)(F)F)C1	REAL300007425459	1	54	0.0	-81.52	386.32	9.49	-72.03
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)N1	REAL300007425480	1	55	0.0	-65.30	399.21	9.28	-56.02
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=C1	REAL300007425817	0	60	0.0	-83.75	429.62	12.32	-71.43
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425928	0	54	0.0	-75.75	377.85	9.78	-65.97
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300007425932	0	60	0.0	-57.29	399.20	10.71	-46.58
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C34CC5CC(CC(C5)C3)C4)=CN21	REAL300007425935	0	52	0.0	-70.54	380.56	11.28	-59.26
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425980	0	63	0.0	-57.38	420.80	11.87	-45.51
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425980	1	63	0.0	-63.20	423.90	11.92	-51.28
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425981	0	57	0.0	-57.58	383.63	10.51	-47.07
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425981	1	57	0.0	-59.28	384.94	10.47	-48.81
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425986	0	54	0.0	-69.51	372.86	9.66	-59.85
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300007425986	1	54	0.0	-58.94	367.28	9.82	-49.12
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)O1	REAL300007425988	1	54	0.0	-84.84	392.89	9.86	-74.98
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C12CC3CC(CC(C3)C1)C2	REAL300007425996	1	56	0.0	-72.06	371.38	10.15	-61.91
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C12CC3CC(CC(C3)C1)C2	REAL300007425996	1	56	0.0	-64.44	382.53	10.75	-53.69
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(C2)C(C(F)(F)F)=NNC3=O)C1	REAL300007426092	0	46	0.0	-50.62	358.35	5.56	-45.06
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C2)C(C(F)(F)F)=NNC3=O)C1	REAL300007426092	1	46	0.0	-54.71	359.51	6.00	-48.71
O=C([O-])C1CCC[N@@H+](CC(=O)N2C3CCC2C(O)CCC3O)C1	REAL300007426203	0	49	0.0	-44.38	347.59	3.08	-41.30
O=C([O-])C1CCC[N@H+](CC(=O)N2C3CCC2C(O)CCC3O)C1	REAL300007426203	1	49	0.0	-48.83	346.53	2.91	-45.92
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC3(CCOCC3)C2)C1	REAL300007426321	0	54	0.0	-48.14	364.03	8.42	-39.72
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC3(CCOCC3)C2)C1	REAL300007426321	1	54	0.0	-47.27	362.37	8.42	-38.85
CC1=CSC(COC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=N1	REAL300007426448	0	50	0.0	-54.11	396.29	7.47	-46.64
CC1=CSC(COC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=N1	REAL300007426448	1	50	0.0	-48.39	395.11	7.04	-41.35
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C)CC1	REAL300007426526	0	52	0.0	-74.73	402.78	10.21	-64.52
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC(OCC(=O)[O-])=C3)C=C2C)CC1	REAL300007426527	0	56	0.0	-79.37	433.89	10.47	-68.90
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C)CC1	REAL300007426528	0	52	0.0	-82.21	402.79	10.20	-72.01
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])S3)C=C2C)CC1	REAL300007426529	0	49	0.0	-70.63	397.07	9.37	-61.26
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC(C(=O)[O-])=N3)C=C2C)CC1	REAL300007426530	0	51	0.0	-72.53	400.90	8.49	-64.04
CC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=CC=C(C(=O)[O-])C=C3)C=C2C)CC1	REAL300007426531	0	58	0.0	-79.68	448.87	11.69	-67.99
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=NC(C(=O)[O-])=C3)C=C2C)CC1	REAL300007426532	0	51	0.0	-84.06	398.89	8.43	-75.63
CC[NH+]1CCN(C2=CC=C(NC(=O)C=CC3=CC=C(C(=O)[O-])C=C3)C=C2C)CC1	REAL300007426533	0	56	0.0	-78.72	437.28	11.41	-67.31
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])O3)C=C2C)CC1	REAL300007426534	0	49	0.0	-69.00	389.20	8.60	-60.40
CC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=CC=CC=C3C(=O)[O-])C=C2C)CC1	REAL300007426535	0	58	0.0	-80.68	440.37	11.44	-69.24
CC[NH+]1CCN(C2=CC=C(NC(=O)CC3=CC=CC(C(=O)[O-])=C3)C=C2C)CC1	REAL300007426536	0	55	0.0	-85.61	427.46	10.88	-74.73
CC[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CC3)C=C2C)CC1	REAL300007426537	0	49	0.0	-68.96	375.62	8.74	-60.22
CC[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CC3)C=C2C)CC1	REAL300007426538	0	49	0.0	-68.96	375.62	8.74	-60.22
CC[NH+]1CCN(C2=CC=C(NC(=O)C3CCCC(C(=O)[O-])C3)C=C2C)CC1	REAL300007426539	0	58	0.0	-85.94	422.16	10.27	-75.67
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])N=C3)C=C2C)CC1	REAL300007426540	0	51	0.0	-75.50	398.68	8.42	-67.08
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=N3)C=C2C)CC1	REAL300007426541	0	51	0.0	-69.96	400.18	8.47	-61.49
CC[NH+]1CCN(C2=CC=C(NC(=O)CC(C)(C)CC(=O)[O-])C=C2C)CC1	REAL300007426542	0	57	0.0	-76.55	411.94	9.64	-66.91
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C)CC1	REAL300007426543	0	52	0.0	-73.99	407.30	10.28	-63.71
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CN=C(C(=O)[O-])C=N3)C=C2C)CC1	REAL300007426544	0	50	0.0	-69.52	395.76	6.63	-62.89
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C=C2C)CC1	REAL300007426545	0	58	0.0	-76.64	427.03	10.45	-66.19
CC[NH+]1CCN(C2=CC=C(NC(=O)C3CCC(C(=O)[O-])CC3)C=C2C)CC1	REAL300007426546	0	58	0.0	-77.23	428.71	10.44	-66.79
CC[NH+]1CCN(C2=CC=C(NC(=O)CC3=CC=C(C(=O)[O-])C=C3)C=C2C)CC1	REAL300007426547	0	55	0.0	-87.02	427.46	10.89	-76.13
CC[NH+]1CCN(C2=CC=C(NC(=O)CN3C=C(C(=O)[O-])N=N3)C=C2C)CC1	REAL300007426548	0	51	0.0	-89.55	404.60	6.88	-82.67
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C(C)=N3)C=C2C)CC1	REAL300007426549	0	54	0.0	-67.83	416.50	9.00	-58.83
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C)CC1	REAL300007426550	0	52	0.0	-74.73	402.78	10.21	-64.52
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2C)CC1	REAL300007426551	0	55	0.0	-83.74	409.61	9.83	-73.91
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC(CC(=O)[O-])=C3)C=C2C)CC1	REAL300007426552	0	55	0.0	-77.48	424.98	10.97	-66.51
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=C(CC(=O)[O-])OC=C3)C=C2C)CC1	REAL300007426553	0	52	0.0	-78.17	405.26	9.13	-69.04
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=C(CC(=O)[O-])OC=C3C)C=C2C)CC1	REAL300007426554	0	55	0.0	-71.01	432.08	9.74	-61.27
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C)CC1	REAL300007426555	0	51	0.0	-73.34	400.38	8.50	-64.84
CC[NH+]1CCN(C2=CC=C(NC(=O)C34CC(C(=O)[O-])(C3)C4)C=C2C)CC1	REAL300007426556	0	53	0.0	-76.01	405.85	9.82	-66.19
CC[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CCC3)C=C2C)CC1	REAL300007426557	0	52	0.0	-70.01	389.83	9.18	-60.83
CC[NH+]1CCN(C2=CC=C(NC(=O)C(C)(C)C(=O)[O-])C=C2C)CC1	REAL300007426558	0	51	0.0	-83.15	382.43	9.31	-73.84
CC[NH+]1CCN(C2=CC=C(NC(=O)CC3CCC(C(=O)[O-])CC3)C=C2C)CC1	REAL300007426559	0	61	0.0	-82.26	447.32	11.15	-71.11
CC[NH+]1CCN(C2=CC=C(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)C=C2C)CC1	REAL300007426560	0	59	0.0	-83.83	436.38	10.64	-73.19
CC[NH+]1CCN(C2=CC=C(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)C=C2C)CC1	REAL300007426561	0	62	0.0	-75.68	446.39	11.10	-64.58
CC[NH+]1CCN(C2=CC=C(NC(=O)CC(C)(C)CC(=O)[O-])C=C2C)CC1	REAL300007426562	0	57	0.0	-76.55	411.94	9.64	-66.91
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC(=O)[O-])C=C2C)CC1	REAL300007426563	0	51	0.0	-80.66	389.59	8.82	-71.84
CC[NH+]1CCN(C2=CC=C(NC(=O)CC(C)CC(=O)[O-])C=C2C)CC1	REAL300007426564	0	54	0.0	-79.27	402.19	9.26	-70.01
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=NOC(C(=O)[O-])=C3)C=C2C)CC1	REAL300007426565	0	48	0.0	-65.62	383.65	7.76	-57.86
CC[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CCCC3)C=C2C)CC1	REAL300007426566	0	55	0.0	-72.36	406.97	9.81	-62.55
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2C)CC1	REAL300007426567	0	52	0.0	-72.04	405.93	9.36	-62.68
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C)=C(C(=O)[O-])O3)C=C2C)CC1	REAL300007426568	0	52	0.0	-69.58	407.12	9.18	-60.40
CC[NH+]1CCN(C2=CC=C(NC(=O)CN3C=C(C(=O)[O-])C=N3)C=C2C)CC1	REAL300007426569	0	52	0.0	-85.93	409.53	8.37	-77.56
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C=CC(=O)[O-])O3)C=C2C)CC1	REAL300007426570	0	53	0.0	-72.33	422.06	9.80	-62.53
CC[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)C=C2C)CC1	REAL300007426571	0	59	0.0	-69.99	434.17	10.89	-59.10
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2C)CC1	REAL300007426572	0	56	0.0	-74.42	433.80	10.49	-63.93
CC[NH+]1CCN(C2=CC=C(NC(=O)CCSCC(=O)[O-])C=C2C)CC1	REAL300007426573	0	52	0.0	-75.29	412.62	9.41	-65.88
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=N3)C=C2C)CC1	REAL300007426574	0	51	0.0	-69.96	400.18	8.47	-61.49
CC[NH+]1CCN(C2=CC=C(NC(=O)COCC(=O)[O-])C=C2C)CC1	REAL300007426575	0	49	0.0	-83.38	381.72	7.99	-75.39
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C(=O)[O-])=NN3C)C=C2C)CC1	REAL300007426576	0	52	0.0	-82.12	402.83	8.06	-74.06
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)C=C2C)CC1	REAL300007426577	0	56	0.0	-80.65	424.52	9.59	-71.06
CC[NH+]1CCN(C2=CC=C(NC(=O)C(C)(C)CCC(=O)[O-])C=C2C)CC1	REAL300007426578	0	57	0.0	-81.91	420.79	9.75	-72.16
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C)CC1	REAL300007426579	0	55	0.0	-72.90	424.97	10.98	-61.92
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C)CC1	REAL300007426580	0	56	0.0	-76.24	434.86	11.50	-64.74
CC[NH+]1CCN(C2=CC=C(NC(=O)C=CC3=CC(C(=O)[O-])=CO3)C=C2C)CC1	REAL300007426581	0	53	0.0	-74.91	421.84	9.67	-65.24
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC=C3CCC(=O)[O-])C=C2C)CC1	REAL300007426582	0	58	0.0	-78.60	437.48	11.70	-66.90
CC[NH+]1CCN(C2=CC=C(NC(=O)C=CC3=CC=C(C(=O)[O-])O3)C=C2C)CC1	REAL300007426583	0	53	0.0	-74.35	423.37	10.03	-64.32
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2C)CC1	REAL300007426584	0	55	0.0	-83.74	409.61	9.83	-73.91
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2C)CC1	REAL300007426585	0	55	0.0	-81.69	418.83	10.74	-70.95
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CN=CC(C(=O)[O-])=C3)C=C2C)CC1	REAL300007426586	0	51	0.0	-74.88	397.97	8.41	-66.47
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C(=O)[O-])=CN=C3C)C=C2C)CC1	REAL300007426587	0	54	0.0	-67.59	414.27	9.09	-58.50
CC[NH+]1CCN(C2=CC=C(NC(=O)CN3C=CC(C(=O)[O-])=N3)C=C2C)CC1	REAL300007426588	0	52	0.0	-98.38	408.86	8.38	-90.00
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCN3C=CC(C(=O)[O-])=N3)C=C2C)CC1	REAL300007426589	0	58	0.0	-96.69	452.47	9.75	-86.94
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])C=C2C)CC1	REAL300007426590	0	52	0.0	-72.86	391.39	9.08	-63.78
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)C=C2C)CC1	REAL300007426591	0	59	0.0	-81.22	446.02	10.00	-71.22
CC[NH+]1CCN(C2=CC=C(NC(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)C=C2C)CC1	REAL300007426592	0	59	0.0	-74.76	445.23	9.06	-65.70
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])C=C2C)CC1	REAL300007426593	0	52	0.0	-72.86	391.39	9.08	-63.78
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C=C2C)CC1	REAL300007426594	0	49	0.0	-82.34	374.32	9.55	-72.79
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=C(C)C=C(C(=O)[O-])O3)C=C2C)CC1	REAL300007426595	0	52	0.0	-69.46	407.01	9.28	-60.18
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])C=C2C)CC1	REAL300007426596	0	60	0.0	-70.79	433.60	11.11	-59.68
CCC(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](CC)CC2)C(C)=C1	REAL300007426597	0	51	0.0	-71.66	387.68	8.65	-63.01
CC[NH+]1CCN(C2=CC=C(NC(=O)C(C(=O)[O-])C(C)C)C=C2C)CC1	REAL300007426598	0	54	0.0	-71.22	403.28	9.23	-61.99
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C=C2C)CC1	REAL300007426599	0	58	0.0	-79.94	418.09	10.63	-69.31
CC[NH+]1CCN(C2=CC=C(NC(=O)CN3CCCC(C(=O)[O-])C3)C=C2C)CC1	REAL300007426600	1	60	0.0	-75.77	441.70	8.26	-67.51
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C=C2C)CC1	REAL300007426601	0	49	0.0	-72.57	379.66	8.77	-63.80
CC[NH+]1CCN(C2=CC=C(NC(=O)C3CC4(CC4C(=O)[O-])C3)C=C2C)CC1	REAL300007426602	0	56	0.0	-73.02	425.20	10.57	-62.45
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C=C2C)CC1	REAL300007426603	0	52	0.0	-77.66	394.68	9.13	-68.53
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)C=C2C)CC1	REAL300007426604	0	58	0.0	-91.83	430.14	11.20	-80.63
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2C)CC1	REAL300007426605	0	55	0.0	-71.38	418.86	10.89	-60.49
CC[NH+]1CCN(C2=CC=C(NC(=O)C3CC(C)(C(=O)[O-])C3)C=C2C)CC1	REAL300007426606	0	55	0.0	-72.81	411.95	9.63	-63.18
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=C(C(=O)[O-])SC=C3)C=C2C)CC1	REAL300007426607	0	49	0.0	-81.95	389.88	10.07	-71.88
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C(=O)[O-])=NN3)C=C2C)CC1	REAL300007426608	0	49	0.0	-80.96	386.66	6.63	-74.33
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=NNC(C(=O)[O-])=C3)C=C2C)CC1	REAL300007426608	1	49	0.0	-67.60	387.87	6.57	-61.03
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CN=CC(C(=O)[O-])=C3C)C=C2C)CC1	REAL300007426609	0	54	0.0	-72.82	408.89	8.98	-63.84
CCCC(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](CC)CC2)C(C)=C1	REAL300007426610	0	54	0.0	-69.19	403.33	9.60	-59.59
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2C)CC1	REAL300007426611	0	55	0.0	-74.72	418.84	10.89	-63.83
CC[NH+]1CCN(C2=CC=C(NC(=O)C3CC4(CC(C(=O)[O-])C4)C3)C=C2C)CC1	REAL300007426612	0	59	0.0	-79.02	443.35	11.12	-67.90
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(OC)=CC(C(=O)[O-])=N3)C=C2C)CC1	REAL300007426613	0	55	0.0	-69.61	430.63	7.81	-61.80
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C(=O)[O-])N3C)C=C2C)CC1	REAL300007426614	0	53	0.0	-74.17	405.37	9.43	-64.74
CC[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CC=CC3)C=C2C)CC1	REAL300007426615	0	53	0.0	-72.02	399.51	9.70	-62.32
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C)CC1	REAL300007426616	0	58	0.0	-73.89	446.37	11.78	-62.11
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=NNC(C)=C3C(=O)[O-])C=C2C)CC1	REAL300007426617	0	52	0.0	-80.19	400.68	8.06	-72.13
CC[NH+]1CCN(C2=CC=C(NC(=O)CC3(CC(=O)[O-])CC3)C=C2C)CC1	REAL300007426618	0	55	0.0	-71.78	413.44	9.98	-61.80
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CSC(C(=O)[O-])=N3)C=C2C)CC1	REAL300007426619	0	48	0.0	-68.49	392.18	7.37	-61.12
CC[NH+]1CCN(C2=CC=C(NC(=O)C(OC)C(=O)[O-])C=C2C)CC1	REAL300007426620	0	49	0.0	-70.22	377.94	7.85	-62.37
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@@]3(C)C[C@H]3C(=O)[O-])C=C2C)CC1	REAL300007426621	0	52	0.0	-83.58	392.16	10.19	-73.39
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2C)CC1	REAL300007426622	0	52	0.0	-71.70	412.06	10.06	-61.64
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=C(F)C=CC(C(=O)[O-])=C3C)C=C2C)CC1	REAL300007426623	0	55	0.0	-70.77	430.77	10.61	-60.16
CC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=CC=CN=C3C(=O)[O-])C=C2C)CC1	REAL300007426624	0	57	0.0	-80.22	436.27	9.69	-70.53
CC[NH+]1CCN(C2=CC=C(NC(=O)C34CC(C(=O)[O-])(C3)CO4)C=C2C)CC1	REAL300007426625	0	54	0.0	-72.74	413.10	7.78	-64.96
CC[NH+]1CCN(C2=CC=C(NC(=O)C(C)C(=O)[O-])C=C2C)CC1	REAL300007426626	0	48	0.0	-81.16	363.66	8.77	-72.39
CC[NH+]1CCN(C2=CC=C(NC(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)C=C2C)CC1	REAL300007426627	0	56	0.0	-78.62	437.30	11.41	-67.21
CC[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CC3C)C=C2C)CC1	REAL300007426628	0	52	0.0	-67.31	388.89	9.47	-57.84
CC[NH+]1CCN(C2=CC=C(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)C=C2C)CC1	REAL300007426629	0	59	0.0	-69.99	434.17	10.89	-59.10
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=C(C(=O)[O-])C=NN3C)C=C2C)CC1	REAL300007426630	0	52	0.0	-81.66	396.83	8.81	-72.85
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)C=C2C)CC1	REAL300007426631	0	53	0.0	-71.72	419.32	8.36	-63.36
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2C)CC1	REAL300007426632	0	55	0.0	-82.99	413.58	10.76	-72.23
CC[NH+]1CCN(C2=CC=C(NC(=O)C=CC3=CC=C(C(=O)[O-])N=C3)C=C2C)CC1	REAL300007426633	0	55	0.0	-80.68	433.06	9.63	-71.05
C=C1CCC1(C(=O)[O-])C(=O)NC1=CC=C(N2CC[NH+](CC)CC2)C(C)=C1	REAL300007426634	0	53	0.0	-68.75	402.79	9.65	-59.10
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC(C(=O)[O-])=CS3)C=C2C)CC1	REAL300007426635	0	49	0.0	-78.03	396.00	9.23	-68.80
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])C=C2C)CC1	REAL300007426636	0	57	0.0	-74.67	421.28	8.48	-66.19
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@@]3(C(C)C)C[C@H]3C(=O)[O-])C=C2C)CC1	REAL300007426637	0	58	0.0	-73.14	433.04	10.26	-62.88
CC[NH+]1CCN(C2=CC=C(NC(=O)CC3=CC=C(C(=O)[O-])C=C3C)C=C2C)CC1	REAL300007426638	0	58	0.0	-88.03	444.17	11.36	-76.67
CC[NH+]1CCN(C2=CC=C(NC(=O)CC3=CC(C(=O)[O-])=CS3)C=C2C)CC1	REAL300007426639	0	52	0.0	-84.63	419.00	10.03	-74.60
CC[NH+]1CCN(C2=CC=C(NC(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)C=C2C)CC1	REAL300007426640	0	55	0.0	-89.39	432.00	10.92	-78.47
CC[NH+]1CCN(C2=CC=C(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)C=C2C)CC1	REAL300007426641	0	55	0.0	-76.53	409.58	9.69	-66.84
CC[NH+]1CCN(C2=CC=C(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)C=C2C)CC1	REAL300007426642	0	62	0.0	-75.68	446.39	11.10	-64.58
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Br	REAL300007426915	0	43	0.0	-49.63	350.42	8.80	-40.83
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Br	REAL300007426915	1	43	0.0	-49.68	344.84	8.83	-40.85
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1(N2CCOCC2)CC1	REAL300007427052	0	50	0.0	-48.70	370.42	4.25	-44.45
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1(N2CCOCC2)CC1	REAL300007427052	1	50	0.0	-46.36	364.36	4.77	-41.59
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300007427094	0	48	0.0	-74.29	371.13	8.71	-65.58
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300007427094	1	48	0.0	-73.82	367.88	8.63	-65.19
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)CC2)C1	REAL300007427095	0	52	0.0	-81.90	402.38	8.99	-72.91
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)CC2)C1	REAL300007427095	1	52	0.0	-68.44	398.38	8.89	-59.55
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)C1	REAL300007427096	0	48	0.0	-86.39	368.40	8.60	-77.79
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)C1	REAL300007427096	1	48	0.0	-83.84	367.88	8.61	-75.23
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])S3)CC2)C1	REAL300007427097	0	45	0.0	-70.52	362.92	7.87	-62.65
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])S3)CC2)C1	REAL300007427097	1	45	0.0	-72.44	358.03	7.69	-64.75
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=CC(C(=O)[O-])=N3)CC2)C1	REAL300007427098	0	47	0.0	-66.53	361.91	7.60	-58.93
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=CC(C(=O)[O-])=N3)CC2)C1	REAL300007427098	1	47	0.0	-65.12	362.34	7.57	-57.55
CC(SC1=CC=CC=C1C(=O)N1CCC(OC2CC[N@H+](C)C2)CC1)C(=O)[O-]	REAL300007427099	0	55	0.0	-85.15	423.79	10.41	-74.74
CC(SC1=CC=CC=C1C(=O)N1CCC(OC2CC[N@@H+](C)C2)CC1)C(=O)[O-]	REAL300007427099	1	55	0.0	-87.24	417.66	10.23	-77.01
C[N@@H+]1CCC(OC2CCN(C(=O)CCC3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300007427100	0	54	0.0	-79.53	416.91	10.53	-69.00
C[N@H+]1CCC(OC2CCN(C(=O)CCC3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300007427100	1	54	0.0	-78.86	413.47	10.45	-68.41
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=NC(C(=O)[O-])=C3)CC2)C1	REAL300007427101	0	47	0.0	-86.33	363.60	6.84	-79.49
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=NC(C(=O)[O-])=C3)CC2)C1	REAL300007427101	1	47	0.0	-70.31	363.02	6.84	-63.47
C[N@@H+]1CCC(OC2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300007427102	0	52	0.0	-79.63	404.29	10.21	-69.42
C[N@H+]1CCC(OC2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300007427102	1	52	0.0	-78.94	400.84	10.14	-68.80
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CC2)C1	REAL300007427103	0	50	0.0	-64.90	396.57	9.27	-55.63
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CC2)C1	REAL300007427103	1	50	0.0	-64.94	398.24	9.36	-55.58
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CC2)C1	REAL300007427104	0	50	0.0	-64.90	396.57	9.27	-55.63
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CC2)C1	REAL300007427104	1	50	0.0	-64.94	398.24	9.36	-55.58
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)CC2)C1	REAL300007427105	0	55	0.0	-77.04	420.99	9.66	-67.38
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)CC2)C1	REAL300007427105	1	55	0.0	-76.41	425.41	9.82	-66.59
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])O3)CC2)C1	REAL300007427106	0	45	0.0	-65.36	350.25	7.25	-58.11
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])O3)CC2)C1	REAL300007427106	1	45	0.0	-67.67	350.14	7.27	-60.40
C[N@@H+]1CCC(OC2CCN(C(=O)CCC3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300007427107	0	54	0.0	-77.22	408.02	10.29	-66.93
C[N@H+]1CCC(OC2CCN(C(=O)CCC3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300007427107	1	54	0.0	-77.02	404.55	10.19	-66.83
CC1=CC(C(=O)N2CCC(OC3CC[N@@H+](C)C3)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300007427108	0	58	0.0	-77.29	444.63	10.48	-66.81
CC1=CC(C(=O)N2CCC(OC3CC[N@H+](C)C3)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300007427108	1	58	0.0	-76.31	440.05	10.33	-65.98
C[N@@H+]1CCC(OC2CCN(C(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2)C1	REAL300007427109	0	51	0.0	-88.62	392.59	9.61	-79.01
C[N@H+]1CCC(OC2CCN(C(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2)C1	REAL300007427109	1	51	0.0	-86.10	392.05	9.63	-76.47
C[N@@H+]1CCC(OC2CCN(C(=O)C3CCCC(C(=O)[O-])C3)CC2)C1	REAL300007427110	0	54	0.0	-84.42	396.45	9.12	-75.30
C[N@H+]1CCC(OC2CCN(C(=O)C3CCCC(C(=O)[O-])C3)CC2)C1	REAL300007427110	1	54	0.0	-86.51	383.56	8.77	-77.74
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])N=C3)CC2)C1	REAL300007427111	0	47	0.0	-77.81	367.05	6.94	-70.87
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])N=C3)CC2)C1	REAL300007427111	1	47	0.0	-77.63	363.03	6.84	-70.79
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2)C1	REAL300007427112	0	47	0.0	-67.94	361.15	7.63	-60.31
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2)C1	REAL300007427112	1	47	0.0	-67.37	365.50	7.74	-59.63
C[N@@H+]1CCC(OC2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)C1	REAL300007427113	0	53	0.0	-77.02	375.84	8.34	-68.68
C[N@H+]1CCC(OC2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)C1	REAL300007427113	1	53	0.0	-76.23	376.60	8.39	-67.84
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3F)CC2)C1	REAL300007427114	0	48	0.0	-75.41	373.32	8.63	-66.78
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3F)CC2)C1	REAL300007427114	1	48	0.0	-75.90	374.91	8.74	-67.16
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CN=C(C(=O)[O-])C=N3)CC2)C1	REAL300007427115	0	46	0.0	-70.19	360.71	5.92	-64.27
C[N@H+]1CCC(OC2CCN(C(=O)C3=CN=C(C(=O)[O-])C=N3)CC2)C1	REAL300007427115	1	46	0.0	-70.32	356.64	5.79	-64.53
C[N@@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)C1	REAL300007427116	0	54	0.0	-74.43	394.98	9.13	-65.30
C[N@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)C1	REAL300007427116	1	54	0.0	-76.61	396.43	9.11	-67.50
C[N@@H+]1CCC(OC2CCN(C(=O)C3CCC(C(=O)[O-])CC3)CC2)C1	REAL300007427117	0	54	0.0	-85.94	385.43	8.84	-77.10
C[N@H+]1CCC(OC2CCN(C(=O)C3CCC(C(=O)[O-])CC3)CC2)C1	REAL300007427117	1	54	0.0	-83.66	381.42	8.71	-74.95
C[N@@H+]1CCC(OC2CCN(C(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300007427118	0	51	0.0	-88.65	395.51	9.72	-78.93
C[N@H+]1CCC(OC2CCN(C(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300007427118	1	51	0.0	-87.80	392.07	9.64	-78.16
C[N@@H+]1CCC(OC2CCN(C(=O)CN3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300007427119	0	47	0.0	-90.84	372.45	5.67	-85.17
C[N@H+]1CCC(OC2CCN(C(=O)CN3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300007427119	1	47	0.0	-90.72	368.39	5.53	-85.19
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CC1=NC(C(=O)N2CCC(OC3CC[N@H+](C)C3)CC2)=CC=C1C(=O)[O-]	REAL300007427120	1	50	0.0	-67.63	382.20	8.24	-59.39
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300007427121	0	48	0.0	-74.29	371.13	8.71	-65.58
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300007427121	1	48	0.0	-73.82	367.88	8.63	-65.19
C[N@@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C1	REAL300007427122	0	51	0.0	-83.89	372.43	8.36	-75.53
C[N@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C1	REAL300007427122	1	51	0.0	-83.16	371.18	8.31	-74.85
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2)C1	REAL300007427123	0	51	0.0	-82.47	393.48	9.48	-72.99
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2)C1	REAL300007427123	1	51	0.0	-81.70	390.06	9.38	-72.32
C[N@@H+]1CCC(OC2CCN(C(=O)C3=C(CC(=O)[O-])OC=C3)CC2)C1	REAL300007427124	0	48	0.0	-78.30	373.41	7.75	-70.55
C[N@H+]1CCC(OC2CCN(C(=O)C3=C(CC(=O)[O-])OC=C3)CC2)C1	REAL300007427124	1	48	0.0	-78.05	373.73	7.76	-70.29
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCC(OC2CC[N@@H+](C)C2)CC1	REAL300007427125	0	51	0.0	-65.36	386.42	8.09	-57.27
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCC(OC2CC[N@H+](C)C2)CC1	REAL300007427125	1	51	0.0	-83.34	397.32	8.46	-74.88
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=CC=N3)CC2)C1	REAL300007427126	0	47	0.0	-77.77	361.33	7.64	-70.13
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=CC=N3)CC2)C1	REAL300007427126	1	47	0.0	-77.80	361.27	7.65	-70.15
C[N@@H+]1CCC(OC2CCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2)C1	REAL300007427127	0	49	0.0	-74.28	365.21	8.25	-66.03
C[N@H+]1CCC(OC2CCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2)C1	REAL300007427127	1	49	0.0	-74.51	368.76	8.35	-66.16
C[N@@H+]1CCC(OC2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)C1	REAL300007427128	0	48	0.0	-68.01	353.75	7.56	-60.45
C[N@H+]1CCC(OC2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)C1	REAL300007427128	1	48	0.0	-64.01	352.18	7.61	-56.40
C[N@@H+]1CCC(OC2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)CC2)C1	REAL300007427129	0	57	0.0	-84.31	415.64	9.99	-74.32
C[N@H+]1CCC(OC2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)CC2)C1	REAL300007427129	1	57	0.0	-83.22	412.18	9.92	-73.30
C[N@@H+]1CCC(OC2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)CC2)C1	REAL300007427130	0	55	0.0	-84.17	397.14	9.10	-75.07
C[N@H+]1CCC(OC2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)CC2)C1	REAL300007427130	1	55	0.0	-72.15	390.19	8.87	-63.28
C[N@@H+]1CCC(OC2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)C1	REAL300007427131	0	58	0.0	-77.00	401.78	9.19	-67.81
C[N@H+]1CCC(OC2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)C1	REAL300007427131	1	58	0.0	-76.05	404.67	9.33	-66.72
C[N@@H+]1CCC(OC2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)C1	REAL300007427132	0	53	0.0	-77.02	375.84	8.34	-68.68
C[N@H+]1CCC(OC2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)C1	REAL300007427132	1	53	0.0	-76.23	376.60	8.39	-67.84
CC(CC(=O)[O-])CC(=O)N1CCC(OC2CC[N@H+](C)C2)CC1	REAL300007427133	0	50	0.0	-78.31	366.77	8.04	-70.27
CC(CC(=O)[O-])CC(=O)N1CCC(OC2CC[N@@H+](C)C2)CC1	REAL300007427133	1	50	0.0	-80.58	367.32	8.01	-72.57
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)CC2)C1	REAL300007427134	0	50	0.0	-91.88	394.95	7.56	-84.32
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)CC2)C1	REAL300007427134	1	50	0.0	-90.35	398.48	7.72	-82.63
C[N@@H+]1CCC(OC2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2)C1	REAL300007427135	0	55	0.0	-92.25	419.06	9.71	-82.54
C[N@H+]1CCC(OC2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2)C1	REAL300007427135	1	55	0.0	-89.95	422.45	9.88	-80.07
C[N@@H+]1CCC(OC2CCN(C(=O)C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300007427136	0	44	0.0	-66.39	348.32	6.84	-59.55
C[N@H+]1CCC(OC2CCN(C(=O)C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300007427136	1	44	0.0	-67.88	344.57	6.74	-61.14
C[N@@H+]1CCC(OC2CCN(C(=O)C3(C(=O)[O-])CCCC3)CC2)C1	REAL300007427137	0	51	0.0	-67.94	365.71	8.07	-59.87
C[N@H+]1CCC(OC2CCN(C(=O)C3(C(=O)[O-])CCCC3)CC2)C1	REAL300007427137	1	51	0.0	-66.78	364.29	8.01	-58.77
CC1=C(C(=O)N2CCC(OC3CC[N@@H+](C)C3)CC2)C=C(C(=O)[O-])O1	REAL300007427138	0	48	0.0	-72.26	374.46	7.95	-64.31
CC1=C(C(=O)N2CCC(OC3CC[N@H+](C)C3)CC2)C=C(C(=O)[O-])O1	REAL300007427138	1	48	0.0	-72.29	370.40	7.81	-64.48
CC1=C(C(=O)[O-])OC(C(=O)N2CCC(OC3CC[N@@H+](C)C3)CC2)=C1	REAL300007427139	0	48	0.0	-65.74	368.15	7.83	-57.91
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C[N@@H+]1CCC(OC2CCN(C(=O)CN3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300007427140	0	48	0.0	-87.07	377.57	7.14	-79.93
C[N@H+]1CCC(OC2CCN(C(=O)CN3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300007427140	1	48	0.0	-86.02	374.13	7.05	-78.97
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])O3)CC2)C1	REAL300007427141	0	49	0.0	-69.43	383.34	8.49	-60.94
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])O3)CC2)C1	REAL300007427141	1	49	0.0	-69.57	383.26	8.49	-61.08
C[N@@H+]1CCC(OC2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)C1	REAL300007427142	0	55	0.0	-66.37	393.45	9.12	-57.25
C[N@H+]1CCC(OC2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)C1	REAL300007427142	1	55	0.0	-63.58	396.41	9.32	-54.26
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)CC2)C1	REAL300007427143	0	52	0.0	-74.56	402.34	8.99	-65.57
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)CC2)C1	REAL300007427143	1	52	0.0	-74.46	397.56	8.89	-65.57
C[N@@H+]1CCC(OC2CCN(C(=O)CCSCC(=O)[O-])CC2)C1	REAL300007427144	0	48	0.0	-75.23	377.75	8.13	-67.10
C[N@H+]1CCC(OC2CCN(C(=O)CCSCC(=O)[O-])CC2)C1	REAL300007427144	1	48	0.0	-73.62	377.24	8.15	-65.47
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2)C1	REAL300007427145	0	47	0.0	-67.94	361.15	7.63	-60.31
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2)C1	REAL300007427145	1	47	0.0	-67.37	365.50	7.74	-59.63
C[N@@H+]1CCC(OC2CCN(C(=O)COCC(=O)[O-])CC2)C1	REAL300007427146	0	45	0.0	-84.26	345.61	6.78	-77.48
C[N@H+]1CCC(OC2CCN(C(=O)COCC(=O)[O-])CC2)C1	REAL300007427146	1	45	0.0	-82.56	346.30	6.84	-75.72
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCC(OC2CC[N@H+](C)C2)CC1	REAL300007427147	0	48	0.0	-72.77	370.27	6.40	-66.37
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCC(OC2CC[N@@H+](C)C2)CC1	REAL300007427147	1	48	0.0	-74.01	366.79	6.26	-67.75
C[C@@H]1C[C@H](C(=O)N2CCC(OC3CC[N@H+](C)C3)CC2)O[C@H]1C(=O)[O-]	REAL300007427148	0	52	0.0	-84.18	385.71	8.29	-75.89
C[C@@H]1C[C@H](C(=O)N2CCC(OC3CC[N@@H+](C)C3)CC2)O[C@H]1C(=O)[O-]	REAL300007427148	1	52	0.0	-84.61	389.34	8.40	-76.21
C[N@@H+]1CCC(OC2CCN(C(=O)C(C)(C)CCC(=O)[O-])CC2)C1	REAL300007427149	0	53	0.0	-84.88	376.68	7.87	-77.01
C[N@H+]1CCC(OC2CCN(C(=O)C(C)(C)CCC(=O)[O-])CC2)C1	REAL300007427149	1	53	0.0	-83.35	377.06	7.96	-75.39
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2)C1	REAL300007427150	0	51	0.0	-75.79	393.29	9.50	-66.29
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2)C1	REAL300007427150	1	51	0.0	-75.15	390.04	9.42	-65.73
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])C=C3)CC2)C1	REAL300007427151	0	52	0.0	-76.20	403.42	10.00	-66.20
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])C=C3)CC2)C1	REAL300007427151	1	52	0.0	-78.69	398.33	9.87	-68.82
C[N@@H+]1CCC(OC2CCN(C(=O)C=CC3=CC(C(=O)[O-])=CO3)CC2)C1	REAL300007427152	0	49	0.0	-77.15	388.79	8.47	-68.68
C[N@H+]1CCC(OC2CCN(C(=O)C=CC3=CC(C(=O)[O-])=CO3)CC2)C1	REAL300007427152	1	49	0.0	-76.67	385.32	8.36	-68.31
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=CC=C3CCC(=O)[O-])CC2)C1	REAL300007427153	0	54	0.0	-84.53	406.69	10.07	-74.46
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=CC=C3CCC(=O)[O-])CC2)C1	REAL300007427153	1	54	0.0	-83.80	410.06	10.15	-73.65
C[N@@H+]1CCC(OC2CCN(C(=O)COCC3=C(C(=O)[O-])N=CO3)CC2)C1	REAL300007427154	0	51	0.0	-89.53	399.46	4.67	-84.86
C[N@H+]1CCC(OC2CCN(C(=O)COCC3=C(C(=O)[O-])N=CO3)CC2)C1	REAL300007427154	1	51	0.0	-88.35	400.18	4.73	-83.62
C[N@@H+]1CCC(OC2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])O3)CC2)C1	REAL300007427155	0	49	0.0	-73.25	390.37	8.81	-64.44
C[N@H+]1CCC(OC2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])O3)CC2)C1	REAL300007427155	1	49	0.0	-71.11	386.93	8.74	-62.37
C[N@@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C1	REAL300007427156	0	51	0.0	-83.89	372.43	8.36	-75.53
C[N@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C1	REAL300007427156	1	51	0.0	-83.16	371.18	8.31	-74.85
CC1=CC=C(C(=O)N2CCC(OC3CC[N@@H+](C)C3)CC2)C=C1C(=O)[O-]	REAL300007427157	0	51	0.0	-84.49	386.53	9.22	-75.27
CC1=CC=C(C(=O)N2CCC(OC3CC[N@H+](C)C3)CC2)C=C1C(=O)[O-]	REAL300007427157	1	51	0.0	-84.13	383.08	9.14	-74.99
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CN=CC(C(=O)[O-])=C3)CC2)C1	REAL300007427158	0	47	0.0	-76.98	362.83	6.73	-70.25
C[N@H+]1CCC(OC2CCN(C(=O)C3=CN=CC(C(=O)[O-])=C3)CC2)C1	REAL300007427158	1	47	0.0	-76.50	366.39	6.86	-69.64
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCC(OC2CC[N@@H+](C)C2)CC1	REAL300007427159	0	50	0.0	-66.37	383.80	7.52	-58.85
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCC(OC2CC[N@H+](C)C2)CC1	REAL300007427159	1	50	0.0	-65.63	381.52	7.42	-58.21
C[N@@H+]1CCC(OC2CCN(C(=O)CN3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300007427160	0	48	0.0	-99.61	376.92	7.16	-92.45
C[N@H+]1CCC(OC2CCN(C(=O)CN3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300007427160	1	48	0.0	-99.47	372.65	7.04	-92.43
C[N@@H+]1CCC(OC2CCN(C(=O)CCCN3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300007427161	0	54	0.0	-99.58	417.60	8.48	-91.10
C[N@H+]1CCC(OC2CCN(C(=O)CCCN3C=CC(C(=O)[O-])=N3)CC2)C1	REAL300007427161	1	54	0.0	-96.23	417.06	8.50	-87.73
C[N@@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C1	REAL300007427162	0	48	0.0	-70.60	353.79	7.71	-62.89
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C[N@@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)CC2)C1	REAL300007427163	0	55	0.0	-85.55	410.76	8.83	-76.72
C[N@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)CC2)C1	REAL300007427163	1	55	0.0	-88.70	411.23	8.82	-79.88
C[N@@H+]1CCC(OC2CCN(C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)CC2)C1	REAL300007427164	0	55	0.0	-78.75	409.47	7.70	-71.05
C[N@H+]1CCC(OC2CCN(C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)CC2)C1	REAL300007427164	1	55	0.0	-77.62	413.32	7.88	-69.74
C[N@@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C1	REAL300007427165	0	48	0.0	-70.60	353.79	7.71	-62.89
C[N@H+]1CCC(OC2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C1	REAL300007427165	1	48	0.0	-86.79	352.90	8.10	-78.69
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C[N@@H+]1CCC(OC2CCN(C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])CC2)C1	REAL300007427167	0	56	0.0	-66.41	388.83	10.35	-56.06
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CC(C)C(C(=O)[O-])C(=O)N1CCC(OC2CC[N@@H+](C)C2)CC1	REAL300007427168	1	50	0.0	-73.01	366.96	7.72	-65.29
C[N@@H+]1CCC(OC2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)C1	REAL300007427169	0	54	0.0	-79.86	383.85	9.58	-70.28
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C[N@@H+]1CCC(OC2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2)C1	REAL300007427172	0	55	0.0	-92.25	419.06	9.71	-82.54
C[N@H+]1CCC(OC2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2)C1	REAL300007427172	1	55	0.0	-89.95	422.45	9.88	-80.07
C[N@@H+]1CCC(OC2CCN(C(=O)CN3C=C(C(=O)[O-])C4=CC=CC=C43)CC2)C1	REAL300007427173	0	55	0.0	-97.18	424.69	10.98	-86.20
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C[N@@H+]1CCC(OC2CCN(C(=O)C3CC4(CC4C(=O)[O-])C3)CC2)C1	REAL300007427174	0	52	0.0	-79.06	387.94	9.19	-69.87
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C[N@H+]1CCC(OC2CCN(C(=O)C3CC(C)(C(=O)[O-])C3)CC2)C1	REAL300007427178	1	51	0.0	-70.21	376.01	8.31	-61.90
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C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=NN3)CC2)C1	REAL300007427180	0	45	0.0	-80.32	351.38	5.48	-74.84
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C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3Cl)CC2)C1	REAL300007427184	0	48	0.0	-74.29	382.00	9.04	-65.25
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C[N@@H+]1CCC(OC2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)C1	REAL300007427188	0	49	0.0	-65.17	356.34	7.91	-57.26
C[N@H+]1CCC(OC2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)C1	REAL300007427188	1	49	0.0	-67.66	358.60	7.99	-59.67
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)CC2)C1	REAL300007427189	0	54	0.0	-75.02	414.69	10.31	-64.71
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)CC2)C1	REAL300007427189	1	54	0.0	-74.31	411.43	10.22	-64.09
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C[N@@H+]1CCC(OC2CCN(C(=O)CC3(CC(=O)[O-])CC3)CC2)C1	REAL300007427191	0	51	0.0	-73.13	379.17	8.62	-64.51
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C[N@H+]1CCC(OC2CCN(C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)CC2)C1	REAL300007427192	1	52	0.0	-75.53	400.61	9.40	-66.13
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CSC(C(=O)[O-])=N3)CC2)C1	REAL300007427193	0	44	0.0	-60.89	353.24	6.49	-54.40
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C=C1CCC1(C(=O)[O-])C(=O)N1CCC(OC2CC[N@@H+](C)C2)CC1	REAL300007427212	0	49	0.0	-71.15	365.50	7.87	-63.28
C=C1CCC1(C(=O)[O-])C(=O)N1CCC(OC2CC[N@H+](C)C2)CC1	REAL300007427212	1	49	0.0	-66.95	354.05	7.60	-59.35
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=CS3)CC2)C1	REAL300007427213	0	45	0.0	-83.91	357.15	7.52	-76.39
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC(C(=O)[O-])=CS3)CC2)C1	REAL300007427213	1	45	0.0	-80.82	361.86	7.73	-73.09
C[N@@H+]1CCC(OC2CCN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CC2)C1	REAL300007427214	0	53	0.0	-80.80	390.04	7.30	-73.50
C[N@H+]1CCC(OC2CCN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CC2)C1	REAL300007427214	1	53	0.0	-81.17	390.58	7.32	-73.85
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CC2)C1	REAL300007427215	0	54	0.0	-79.14	406.63	10.64	-68.50
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CC2)C1	REAL300007427215	1	54	0.0	-79.24	405.50	10.61	-68.63
CC(C)[C@]1(C(=O)N2CCC(OC3CC[N@H+](C)C3)CC2)C[C@H]1C(=O)[O-]	REAL300007427216	0	54	0.0	-85.76	383.49	9.34	-76.42
CC(C)[C@]1(C(=O)N2CCC(OC3CC[N@@H+](C)C3)CC2)C[C@H]1C(=O)[O-]	REAL300007427216	1	54	0.0	-87.63	384.78	8.67	-78.96
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC(OC2CC[N@@H+](C)C2)CC1	REAL300007427217	0	54	0.0	-89.76	412.23	10.18	-79.58
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC(OC2CC[N@H+](C)C2)CC1	REAL300007427217	1	54	0.0	-88.87	408.77	10.11	-78.76
C[N@@H+]1CCC(OC2CCN(C(=O)CC3=CC(C(=O)[O-])=CS3)CC2)C1	REAL300007427218	0	48	0.0	-86.55	387.06	8.86	-77.69
C[N@H+]1CCC(OC2CCN(C(=O)CC3=CC(C(=O)[O-])=CS3)CC2)C1	REAL300007427218	1	48	0.0	-85.30	383.62	8.78	-76.52
C[N@@H+]1CCC(OC2CCN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)CC2)C1	REAL300007427219	0	51	0.0	-91.19	400.06	9.74	-81.45
C[N@H+]1CCC(OC2CCN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)CC2)C1	REAL300007427219	1	51	0.0	-89.06	396.58	9.67	-79.39
C[N@@H+]1CCC(OC2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)CC2)C1	REAL300007427220	0	51	0.0	-79.62	373.65	8.46	-71.16
C[N@H+]1CCC(OC2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)CC2)C1	REAL300007427220	1	51	0.0	-79.92	376.72	8.54	-71.38
C[N@@H+]1CCC(OC2CCN(C(=O)C3=C4CCCCC4=C(C(=O)[O-])S3)CC2)C1	REAL300007427221	0	55	0.0	-74.18	415.49	10.10	-64.08
C[N@H+]1CCC(OC2CCN(C(=O)C3=C4CCCCC4=C(C(=O)[O-])S3)CC2)C1	REAL300007427221	1	55	0.0	-72.32	416.79	10.09	-62.23
C[N@@H+]1CCC(OC2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)C1	REAL300007427222	0	58	0.0	-77.00	401.78	9.19	-67.81
C[N@H+]1CCC(OC2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)C1	REAL300007427222	1	58	0.0	-76.05	404.67	9.33	-66.72
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1COCCO1	REAL300007427251	0	45	0.0	-47.54	337.68	4.39	-43.15
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1COCCO1	REAL300007427251	1	45	0.0	-47.22	333.97	4.87	-42.35
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3(CCCCC3)C2)C1	REAL300007427350	0	56	0.0	-47.01	381.49	9.60	-37.41
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3(CCCCC3)C2)C1	REAL300007427350	1	56	0.0	-46.63	386.95	9.58	-37.05
CSCC(CC1=CC=CS1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007427476	0	47	0.0	-46.25	385.83	9.28	-36.97
CSCC(CC1=CC=CS1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007427476	1	47	0.0	-47.17	380.36	9.31	-37.86
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1COCCO1	REAL300007427572	0	48	0.0	-50.06	354.22	5.30	-44.76
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1COCCO1	REAL300007427572	1	48	0.0	-46.59	348.03	5.48	-41.11
COC1=CC=C2NC=C(C(C)CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300007427730	0	54	0.0	-52.28	418.03	8.18	-44.10
COC1=CC=C2NC=C(C(C)CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300007427730	1	54	0.0	-52.93	417.91	8.19	-44.74
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300007428453	0	46	0.0	-65.55	380.36	8.52	-57.03
C[NH+](C)CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428497	0	35	0.0	-61.92	311.26	5.61	-56.31
CC(C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300007428498	1	47	0.0	-69.30	384.29	5.52	-63.78
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428513	0	42	0.0	-54.40	352.92	7.25	-47.15
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428513	1	42	0.0	-55.62	340.48	6.99	-48.63
C[NH+]1CCC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])CC1	REAL300007428527	0	42	0.0	-69.73	355.77	7.24	-62.49
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300007428543	0	37	0.0	-70.48	341.43	9.12	-61.36
C[N@@H+]1CCCC1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428565	0	39	0.0	-59.47	336.38	6.68	-52.79
C[N@H+]1CCCC1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428565	1	39	0.0	-58.67	337.56	6.68	-51.99
C[NH+]1CCC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])CC1	REAL300007428590	0	42	0.0	-69.73	355.77	7.24	-62.49
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428608	1	43	0.0	-62.60	381.91	8.55	-54.05
C[C@@H](C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])[NH+](C)C	REAL300007428611	0	38	0.0	-61.41	328.55	6.07	-55.34
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428612	0	39	0.0	-57.58	330.99	6.19	-51.39
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428612	1	39	0.0	-53.34	337.22	6.72	-46.62
C[C@H](C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])[NH+](C)C	REAL300007428615	0	38	0.0	-58.26	329.16	6.10	-52.16
CCC(C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])[NH+](CC)CC	REAL300007428658	0	47	0.0	-53.05	377.15	7.98	-45.07
C[N@@H+]1CCOC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])C1	REAL300007428666	1	40	0.0	-71.25	341.56	5.91	-65.34
C[N@H+]1CCOC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])C1	REAL300007428666	1	40	0.0	-55.94	341.55	5.91	-50.03
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428672	1	43	0.0	-53.00	376.59	8.39	-44.61
C[NH+](C)CC1(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])CC1	REAL300007428678	0	42	0.0	-53.76	360.93	7.51	-46.25
C[NH+](C)CCCCC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428681	0	44	0.0	-72.98	376.39	7.82	-65.16
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428699	1	41	0.0	-54.42	360.24	6.73	-47.69
CCC[N@H+](C)CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428701	0	41	0.0	-54.60	350.17	7.06	-47.54
CCC[N@@H+](C)CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428701	1	41	0.0	-55.45	350.41	6.99	-48.46
C[N@H+](CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])C1CCC1	REAL300007428709	0	42	0.0	-53.30	357.28	7.57	-45.73
C[N@@H+](CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])C1CCC1	REAL300007428709	1	42	0.0	-53.10	357.46	7.58	-45.52
C[N@H+](CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])CC(C)(C)C	REAL300007428719	0	47	0.0	-54.94	380.81	8.08	-46.86
C[N@@H+](CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])CC(C)(C)C	REAL300007428719	1	47	0.0	-59.33	380.22	8.21	-51.12
CC[C@@H](C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])[NH+](C)C	REAL300007428720	0	41	0.0	-54.52	343.89	6.75	-47.77
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300007428738	1	37	0.0	-78.28	341.70	9.14	-69.14
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300007428751	0	46	0.0	-48.32	374.88	8.49	-39.83
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300007428751	1	46	0.0	-48.62	375.69	8.49	-40.13
C[C@@H]1[C@H](C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])CC[N@@H+]1C	REAL300007428765	0	42	0.0	-64.03	347.64	6.75	-57.28
C[C@@H]1[C@H](C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])CC[N@H+]1C	REAL300007428765	1	42	0.0	-64.12	349.04	6.95	-57.17
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])CC[N@@H+]1C	REAL300007428767	0	45	0.0	-68.27	368.29	7.29	-60.98
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])CC[N@H+]1C	REAL300007428767	1	45	0.0	-67.40	373.86	7.60	-59.80
CC1C[N@H+](C)CC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])O1	REAL300007428771	1	43	0.0	-72.90	363.01	6.76	-66.14
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])O1	REAL300007428771	1	43	0.0	-54.92	362.56	6.70	-48.22
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C[NH+]1CCCC1	REAL300007428774	0	39	0.0	-55.14	336.67	6.72	-48.42
CC1=[NH+]C=CN1CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428776	1	37	0.0	-54.68	340.44	7.27	-47.41
CC1CC[NH+](CC(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])CC1	REAL300007428792	0	45	0.0	-55.47	374.14	8.08	-47.39
CC[N@@H+]1CCOC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])C1	REAL300007428796	1	43	0.0	-72.92	366.45	6.72	-66.20
CC[N@H+]1CCOC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])C1	REAL300007428796	1	43	0.0	-66.46	366.39	6.69	-59.77
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428808	0	45	0.0	-69.61	378.66	8.10	-61.51
C[N@H+]1CCCC1CCC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428808	1	45	0.0	-68.69	373.21	7.64	-61.05
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300007428813	0	46	0.0	-50.29	378.23	8.57	-41.72
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300007428813	1	46	0.0	-54.10	371.70	8.13	-45.97
CC[NH+](CC)CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428820	0	41	0.0	-59.19	342.62	6.76	-52.43
CC(C)[NH+]1CCC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])CC1	REAL300007428821	0	48	0.0	-65.53	386.20	8.27	-57.26
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C12CC[NH+](CC1)C2	REAL300007428850	0	40	0.0	-71.79	342.89	6.13	-65.66
CCC(C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])[NH+](C)C	REAL300007428853	0	41	0.0	-59.57	341.45	6.68	-52.89
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300007428856	0	43	0.0	-71.50	352.78	6.82	-64.68
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300007428856	1	43	0.0	-75.77	352.18	6.95	-68.82
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428874	0	45	0.0	-52.45	368.31	7.60	-44.85
C#CC[NH+]1CCC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])CC1	REAL300007428899	0	44	0.0	-69.24	380.44	8.39	-60.85
CC(C)[N@H+](C)CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428900	0	41	0.0	-57.00	344.85	6.86	-50.14
CC(C)[N@@H+](C)CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428900	1	41	0.0	-52.93	345.60	6.78	-46.15
CC[N@H+](CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])C1CC1	REAL300007428908	0	42	0.0	-51.41	359.54	7.68	-43.73
CC[N@@H+](CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])C1CC1	REAL300007428908	1	42	0.0	-58.67	357.31	7.64	-51.03
CC(C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300007428917	0	48	0.0	-51.99	381.00	8.06	-43.93
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428919	0	39	0.0	-54.23	337.67	6.58	-47.65
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428919	1	39	0.0	-63.36	331.06	6.23	-57.13
CC(C)(C)[NH2+]CC(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428950	0	41	0.0	-58.95	350.22	5.33	-53.62
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)CCCC[NH+]1CCCC1	REAL300007428951	0	48	0.0	-66.83	402.34	8.96	-57.87
C[NH+](C)CC1=CC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])=NO1	REAL300007428972	1	41	0.0	-76.72	370.14	6.71	-70.01
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428979	0	45	0.0	-57.90	369.95	7.81	-50.09
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC=C(Br)N=C1)C(=O)[O-]	REAL300007428979	1	45	0.0	-62.28	359.62	7.61	-54.67
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])C1	REAL300007429044	0	48	0.0	-53.90	388.72	8.82	-45.08
CCC[N@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])C1	REAL300007429044	1	48	0.0	-50.96	387.83	8.85	-42.11
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])C1	REAL300007429116	0	48	0.0	-63.57	389.34	8.45	-55.12
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])C1	REAL300007429116	1	48	0.0	-51.66	383.89	8.59	-43.07
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])N1	REAL300007429127	1	43	0.0	-57.12	381.42	6.86	-50.26
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C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)O1	REAL300007445996	1	44	0.0	-88.52	358.94	9.07	-79.45
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)C1	REAL300007446002	0	53	0.0	-82.73	385.20	10.47	-72.26
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)C1	REAL300007446002	1	53	0.0	-78.72	385.50	10.48	-68.24
O=C([O-])C1(C2=CC=C(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)C=C2)CC1	REAL300007446005	1	46	0.0	-71.50	350.72	10.04	-61.46
O=C([O-])C1(C2=CC=C(NC(=O)C34CC(C3)C[N@H+]4C3CC3)C=C2)CC1	REAL300007446005	1	46	0.0	-81.59	352.66	10.53	-71.06
CC1=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=CC(F)=C1C(=O)[O-]	REAL300007447276	0	50	0.0	-92.06	390.67	11.29	-80.77
CC1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007447994	0	47	0.0	-79.86	374.67	10.78	-69.08
CC1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007447994	1	47	0.0	-79.15	372.67	10.71	-68.44
CC1=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=CC(F)=C1C(=O)[O-]	REAL300007448941	0	44	0.0	-83.93	339.52	8.91	-75.02
CC1=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=CC(F)=C1C(=O)[O-]	REAL300007448971	1	41	0.0	-86.41	323.77	8.84	-77.57
CC1=CC(NC(=O)C2CCC[N@H+]2C2CC2)=CC(F)=C1C(=O)[O-]	REAL300007448971	1	41	0.0	-77.06	322.12	8.40	-68.66
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(F)=C(C(=O)[O-])C(C)=C3)CN12	REAL300007448977	1	42	0.0	-75.98	337.68	8.80	-67.18
CC1=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007448978	0	50	0.0	-78.13	394.03	11.24	-66.89
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC(C)=C(C(=O)[O-])C(F)=C3)CC2)=CS1	REAL300007449056	1	49	0.0	-89.34	398.63	9.04	-80.30
CC1=CC(NC(=O)C(C)N2CC[NH+](C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449057	1	45	0.0	-81.14	342.99	5.92	-75.22
CC1=CC(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449144	0	53	0.0	-85.28	423.73	10.82	-74.46
CC1=CC(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449157	0	53	0.0	-79.74	403.59	11.69	-68.05
CC1=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449215	0	35	0.0	-80.05	299.94	9.57	-70.48
CC1=CC(NC(=O)C2(C[NH+](C)C)CCCCC2)=CC(F)=C1C(=O)[O-]	REAL300007449248	0	49	0.0	-90.90	361.08	9.77	-81.13
CC1=CC(NC(=O)CC[N@@H+](C)C2CCCCC2)=CC(F)=C1C(=O)[O-]	REAL300007449253	0	49	0.0	-85.52	368.23	9.65	-75.87
CC1=CC(NC(=O)CC[N@H+](C)C2CCCCC2)=CC(F)=C1C(=O)[O-]	REAL300007449253	1	49	0.0	-83.67	368.03	9.65	-74.02
CC1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449275	1	47	0.0	-84.71	373.67	10.25	-74.46
CC1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449275	1	47	0.0	-84.76	379.80	10.81	-73.95
CC1=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449332	0	43	0.0	-85.16	357.51	8.70	-76.46
CC1=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC(F)=C1C(=O)[O-]	REAL300007449357	0	50	0.0	-76.19	362.21	9.97	-66.22
CC1=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=CC(F)=C1C(=O)[O-]	REAL300007449357	1	50	0.0	-80.38	368.87	10.15	-70.23
CC1=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449358	0	51	0.0	-76.00	375.25	8.19	-67.81
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(F)=C(C(=O)[O-])C(C)=C1	REAL300007449389	1	41	0.0	-79.38	340.78	8.97	-70.41
CC1=CC(NC(=O)CCCC[NH+]2CCOCC2)=CC(F)=C1C(=O)[O-]	REAL300007449390	1	47	0.0	-84.10	367.89	7.65	-76.45
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C=C1)C(C)C	REAL300007449392	0	52	0.0	-82.96	396.07	11.16	-71.80
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C=C1)C(C)C	REAL300007449392	1	52	0.0	-84.19	388.54	10.94	-73.25
CC1=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449417	0	47	0.0	-86.09	379.64	10.64	-75.45
CC1=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449417	1	47	0.0	-84.86	374.61	10.56	-74.30
CC1=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449418	0	48	0.0	-92.44	373.89	9.94	-82.50
CC1=CC(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449446	1	52	0.0	-78.55	402.61	9.35	-69.20
CC1=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=CC(F)=C1C(=O)[O-]	REAL300007449447	0	51	0.0	-87.21	362.71	7.72	-79.49
CCC(C(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1)[NH+](CC)CC	REAL300007449451	0	45	0.0	-75.24	335.34	8.43	-66.81
CC1=CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007449453	1	46	0.0	-82.88	363.92	10.11	-72.77
CC1=CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007449453	1	46	0.0	-81.00	363.70	10.08	-70.92
CC1=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449464	0	53	0.0	-81.56	413.58	12.48	-69.08
CC1=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449464	1	53	0.0	-81.58	413.46	12.45	-69.13
CC1=CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=CC(F)=C1C(=O)[O-]	REAL300007449490	0	42	0.0	-83.83	343.57	7.69	-76.14
CCC[NH+](CCC)CCCC(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1	REAL300007449500	0	51	0.0	-81.45	391.72	10.25	-71.20
CC1=CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449501	1	51	0.0	-84.08	403.86	8.18	-75.90
CC[N@H+](C)C(C(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300007449502	1	46	0.0	-76.07	362.07	10.18	-65.89
CC[N@@H+](C)C(C(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300007449502	1	46	0.0	-79.15	362.38	10.14	-69.01
CC[NH+](CC)C(C(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300007449507	0	49	0.0	-80.76	369.35	10.42	-70.34
CC1=CC(NC(=O)CN2C=C[NH+]=C2C(C)C)=CC(F)=C1C(=O)[O-]	REAL300007449514	1	41	0.0	-77.02	335.33	8.79	-68.23
CC1=CC(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)=CC(F)=C1C(=O)[O-]	REAL300007449518	1	43	0.0	-83.41	360.94	10.08	-73.33
CC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449531	0	47	0.0	-85.85	372.44	10.71	-75.14
CC1=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=CC(F)=C1C(=O)[O-]	REAL300007449538	0	50	0.0	-80.29	389.49	11.40	-68.89
CCN1CCC([NH+]2CCC(C(=O)NC3=CC(C)=C(C(=O)[O-])C(F)=C3)CC2)CC1	REAL300007449544	0	58	0.0	-86.86	419.37	8.64	-78.22
CC1=CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=CC(F)=C1C(=O)[O-]	REAL300007449564	1	51	0.0	-94.21	403.93	10.66	-83.55
CC1=CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC(F)=C1C(=O)[O-]	REAL300007449564	1	51	0.0	-88.30	403.53	10.53	-77.77
CC1=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007449579	0	50	0.0	-80.52	378.27	11.03	-69.49
CC1=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007449579	1	50	0.0	-83.35	394.57	11.39	-71.96
CC1=C(C(=O)NC2=CC(F)=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300007449581	1	41	0.0	-85.67	343.42	7.93	-77.74
CC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449589	0	50	0.0	-86.06	389.19	11.42	-74.64
CC1=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC(F)=C1C(=O)[O-]	REAL300007449602	1	43	0.0	-83.20	352.60	8.16	-75.04
CC1=CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449603	0	46	0.0	-87.30	370.12	10.40	-76.90
CC1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=CC(F)=C1C(=O)[O-]	REAL300007449616	1	48	0.0	-94.78	383.04	10.01	-84.77
CC1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC(F)=C1C(=O)[O-]	REAL300007449616	1	48	0.0	-98.68	390.21	10.19	-88.49
CC1=CC(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449628	0	56	0.0	-80.81	426.74	12.59	-68.22
CC1=CC(NC(=O)C[N@@H+](C)CC(C)(C)C)=CC(F)=C1C(=O)[O-]	REAL300007449680	0	45	0.0	-83.38	336.97	8.50	-74.88
CC1=CC(NC(=O)C[N@H+](C)CC(C)(C)C)=CC(F)=C1C(=O)[O-]	REAL300007449680	1	45	0.0	-81.14	339.59	8.60	-72.54
CC1=CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007449682	0	46	0.0	-85.70	368.62	10.52	-75.18
CC1=CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007449682	1	46	0.0	-86.84	368.94	10.51	-76.33
COCCOCC[N@H+](C)CCC(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1	REAL300007449683	0	50	0.0	-84.74	397.80	6.68	-78.06
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1	REAL300007449683	1	50	0.0	-84.19	397.80	6.68	-77.51
CC1=CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=CC(F)=C1C(=O)[O-]	REAL300007449687	0	44	0.0	-84.33	343.86	6.61	-77.72
CC1=CC(NC(=O)CC2(O)CCC[N@H+](C)C2)=CC(F)=C1C(=O)[O-]	REAL300007449687	1	44	0.0	-81.13	327.39	6.25	-74.88
CC1=CC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449704	0	55	0.0	-88.63	424.10	10.20	-78.43
CCCCCC[N@H+](C)CC(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1	REAL300007449708	0	48	0.0	-84.79	373.26	9.83	-74.96
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1	REAL300007449708	1	48	0.0	-83.02	373.21	9.84	-73.18
CC1=CC(NC(=O)C23CCC[NH+]2CCC3)=CC(F)=C1C(=O)[O-]	REAL300007449718	0	41	0.0	-79.19	314.01	8.02	-71.17
CC1=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449726	1	35	0.0	-87.79	300.07	9.59	-78.20
CC1=CC(NC(=O)C[N@@H+](C)C2CCSC2)=CC(F)=C1C(=O)[O-]	REAL300007449743	1	41	0.0	-91.42	335.77	8.45	-82.97
CC1=CC(NC(=O)C[N@H+](C)C2CCSC2)=CC(F)=C1C(=O)[O-]	REAL300007449743	1	41	0.0	-87.78	330.56	8.28	-79.50
CC1=CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449758	0	51	0.0	-79.00	384.84	7.25	-71.75
CC1=CC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449758	1	51	0.0	-85.21	381.48	7.03	-78.18
CC1=CC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449759	0	54	0.0	-76.88	406.47	8.04	-68.84
CC1=CC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449759	1	54	0.0	-84.19	403.48	7.88	-76.31
CC1=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=CC(F)=C1C(=O)[O-]	REAL300007449760	0	44	0.0	-81.90	332.23	8.77	-73.13
CC1=CC(NC(=O)C2CCCC3CCC[N@H+]32)=CC(F)=C1C(=O)[O-]	REAL300007449760	1	44	0.0	-81.07	332.44	8.76	-72.31
CC1=CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)=CC(F)=C1C(=O)[O-]	REAL300007449762	0	43	0.0	-86.32	354.08	7.56	-78.76
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CC(C)=C(C(=O)[O-])C(F)=C3)CC2)=C1	REAL300007449770	0	55	0.0	-88.11	423.83	10.06	-78.05
CC1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449772	0	52	0.0	-89.75	402.60	9.40	-80.35
CC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449775	0	49	0.0	-88.90	386.00	9.85	-79.05
CC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449775	1	49	0.0	-81.30	379.15	9.60	-71.70
CC1=CC(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=CC(F)=C1C(=O)[O-]	REAL300007449780	1	47	0.0	-86.37	371.38	10.78	-75.59
CC1=CC(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=CC(F)=C1C(=O)[O-]	REAL300007449780	1	47	0.0	-82.20	365.05	10.56	-71.64
CC1=CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449804	0	50	0.0	-88.02	399.24	11.38	-76.64
CC1=CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449804	1	50	0.0	-86.17	394.81	11.28	-74.89
CC1=CC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449820	0	43	0.0	-88.96	353.89	7.57	-81.39
CC1=CC(NC(=O)C2=CC=NN2CC[NH+](C)C)=CC(F)=C1C(=O)[O-]	REAL300007449821	0	43	0.0	-86.97	341.89	7.96	-79.01
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1	REAL300007449827	1	44	0.0	-77.21	355.76	9.27	-67.94
CC[C@@H]1[C@@H](C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)CC[N@@H+]1C	REAL300007449830	0	43	0.0	-84.13	325.98	7.72	-76.41
CC[C@@H]1[C@@H](C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)CC[N@H+]1C	REAL300007449830	1	43	0.0	-81.60	331.29	8.09	-73.51
CC1=CC(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)=CC(F)=C1C(=O)[O-]	REAL300007449833	1	44	0.0	-87.10	362.14	7.30	-79.80
CC1=CC(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)=CC(F)=C1C(=O)[O-]	REAL300007449833	1	44	0.0	-86.83	362.30	7.31	-79.52
CC1=CC(NC(=O)C2C[N@@H+](C)CC(C)O2)=CC(F)=C1C(=O)[O-]	REAL300007449842	1	41	0.0	-90.78	328.68	7.15	-83.63
CC1=CC(NC(=O)C2C[N@H+](C)CC(C)O2)=CC(F)=C1C(=O)[O-]	REAL300007449842	1	41	0.0	-93.96	326.64	6.89	-87.07
CC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449848	0	50	0.0	-88.97	404.23	11.48	-77.49
CC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449848	1	50	0.0	-80.83	390.69	11.52	-69.31
CC1=CC(NC(=O)C(C)C[NH+]2CCOCC2)=CC(F)=C1C(=O)[O-]	REAL300007449854	1	44	0.0	-85.17	347.48	6.95	-78.22
CC1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449855	0	51	0.0	-89.44	400.37	8.82	-80.62
CC1=CC(NC(=O)C[NH+]2CCC(C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449865	1	43	0.0	-86.94	338.45	8.71	-78.23
CC[N@@H+]1CCOC(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C1	REAL300007449880	1	41	0.0	-88.90	324.14	7.07	-81.83
CC[N@H+]1CCOC(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C1	REAL300007449880	1	41	0.0	-87.95	324.47	7.06	-80.89
CC1=CC(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449919	1	50	0.0	-95.02	387.15	9.49	-85.53
CC1=CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449920	0	50	0.0	-83.46	375.71	10.00	-73.46
CC1=CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=CC(F)=C1C(=O)[O-]	REAL300007449920	1	50	0.0	-84.61	381.38	10.10	-74.51
CC1=CC(NC(=O)CCC2CCC[N@H+]2C)=CC(F)=C1C(=O)[O-]	REAL300007449927	0	43	0.0	-86.10	343.01	8.72	-77.38
CC1=CC(NC(=O)CCC2CCC[N@@H+]2C)=CC(F)=C1C(=O)[O-]	REAL300007449927	1	43	0.0	-81.90	337.69	8.27	-73.63
CC1=CC(NC(=O)C23CCC[NH+](CCC2)C3)=CC(F)=C1C(=O)[O-]	REAL300007449940	0	44	0.0	-82.41	333.61	8.42	-73.99
CC1=CC(NC(=O)C2(C)CC(O)C[N@H+]2C)=CC(F)=C1C(=O)[O-]	REAL300007449944	1	41	0.0	-86.48	317.33	4.25	-82.23
CC1=CC(NC(=O)C2(C)CC(O)C[N@@H+]2C)=CC(F)=C1C(=O)[O-]	REAL300007449944	1	41	0.0	-88.26	321.90	4.60	-83.66
CC1=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=CC(F)=C1C(=O)[O-]	REAL300007449945	0	44	0.0	-79.37	330.38	8.56	-70.81
CC1=CC(NC(=O)C2CCC3CCCC[N@H+]32)=CC(F)=C1C(=O)[O-]	REAL300007449945	1	44	0.0	-82.06	336.71	8.74	-73.32
CC1=CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)=CC(F)=C1C(=O)[O-]	REAL300007449953	0	47	0.0	-79.07	349.80	7.13	-71.94
CC1=CC(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=CC(F)=C1C(=O)[O-]	REAL300007449958	0	50	0.0	-98.18	392.58	8.61	-89.57
CC1=CC(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=CC(F)=C1C(=O)[O-]	REAL300007449958	1	50	0.0	-94.05	393.28	8.88	-85.17
CC1=CC(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)=CC(F)=C1C(=O)[O-]	REAL300007449963	0	52	0.0	-77.34	406.60	8.97	-68.37
CC1=CC(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449964	0	52	0.0	-82.22	406.53	8.98	-73.24
CC1=CC(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007449964	1	52	0.0	-87.10	405.71	8.86	-78.24
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300007449965	0	53	0.0	-83.76	412.58	10.68	-73.08
CC1=CC(NC(=O)C2CC[NH+](C(C)C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007449973	0	46	0.0	-85.00	348.49	8.90	-76.10
CC1=CC(NC(=O)C23CC[N@H+](C2)CCC3)=CC(F)=C1C(=O)[O-]	REAL300007450060	0	41	0.0	-83.62	317.50	7.44	-76.18
CC1=CC(NC(=O)C23CC[N@@H+](C2)CCC3)=CC(F)=C1C(=O)[O-]	REAL300007450060	1	41	0.0	-86.10	317.50	7.46	-78.64
CC1=CC(NC(=O)C[NH+]2C(C)CCC2C)=CC(F)=C1C(=O)[O-]	REAL300007450113	0	43	0.0	-78.81	326.96	7.94	-70.87
CC1=CC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)=CC(F)=C1C(=O)[O-]	REAL300007450114	0	43	0.0	-81.51	347.92	9.55	-71.96
CC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007450115	0	50	0.0	-83.49	397.46	11.43	-72.06
CC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007450115	1	50	0.0	-83.18	390.68	11.61	-71.57
C#CC[NH+]1CCC(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)CC1	REAL300007450185	0	42	0.0	-87.84	339.86	8.91	-78.93
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1	REAL300007450187	0	46	0.0	-80.79	356.96	9.27	-71.52
CCC[N@H+]1CCCCC1C(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1	REAL300007450187	1	46	0.0	-79.75	341.21	8.87	-70.88
CC1=CC(NC(=O)C2=CC=CC=C2C[NH+](C)C)=CC(F)=C1C(=O)[O-]	REAL300007450188	0	43	0.0	-67.70	340.98	9.78	-57.92
CC[NH+]1CCN(CCC(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)CC1	REAL300007450190	0	48	0.0	-80.51	367.60	6.69	-73.82
CCN1CC[NH+](CCC(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)CC1	REAL300007450190	1	48	0.0	-85.19	368.41	6.72	-78.47
CC1=CC(NC(=O)C(C(C)C)[NH+]2CCCCC2)=CC(F)=C1C(=O)[O-]	REAL300007450192	0	49	0.0	-78.73	364.33	10.34	-68.39
CC1=CC(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)=CC(F)=C1C(=O)[O-]	REAL300007450193	1	43	0.0	-77.30	344.28	9.55	-67.75
CC1=CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007450197	0	48	0.0	-79.70	383.58	7.52	-72.18
CC1=CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=CC(F)=C1C(=O)[O-]	REAL300007450197	1	48	0.0	-79.70	383.14	7.47	-72.23
CC1=CC(NC(=O)CCN2C=C[NH+]=C2C(C)C)=CC(F)=C1C(=O)[O-]	REAL300007450203	1	44	0.0	-74.84	355.03	9.21	-65.63
CC1=CC(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=CC(F)=C1C(=O)[O-]	REAL300007450204	0	46	0.0	-70.76	374.53	9.90	-60.86
CC1=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=CC(F)=C1C(=O)[O-]	REAL300007450210	0	47	0.0	-79.86	358.49	9.75	-70.11
CC1=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=CC(F)=C1C(=O)[O-]	REAL300007450210	1	47	0.0	-83.57	347.98	9.42	-74.15
CC1=CC(NC(=O)C(C)[NH+]2CCCCCC2)=CC(F)=C1C(=O)[O-]	REAL300007450241	0	46	0.0	-77.77	338.62	8.53	-69.24
CC1=CC(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=CC(F)=C1C(=O)[O-]	REAL300007450279	1	48	0.0	-86.90	389.03	10.18	-76.72
CC1=CC(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=CC(F)=C1C(=O)[O-]	REAL300007450279	1	48	0.0	-86.89	388.80	10.13	-76.76
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)O1	REAL300007450335	0	46	0.0	-87.75	375.36	9.40	-78.35
CC1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC(F)=C1C(=O)[O-]	REAL300007450336	0	46	0.0	-82.87	361.14	9.38	-73.49
CC1=CC=C(N2CCC(C(=O)NC3=CC(C)=C(C(=O)[O-])C(F)=C3)CC2)[NH+]=C1	REAL300007450338	1	49	0.0	-80.40	390.69	9.32	-71.08
CC1=CC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007450339	1	43	0.0	-88.53	346.13	9.67	-78.86
CC1=CC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)=CC(F)=C1C(=O)[O-]	REAL300007450339	1	43	0.0	-88.41	346.47	9.65	-78.76
CC1=CC(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007450343	0	55	0.0	-84.60	415.93	9.92	-74.68
CC1=CC(NC(=O)C2=NOC(C[NH+](C)C)=C2)=CC(F)=C1C(=O)[O-]	REAL300007450394	1	39	0.0	-87.14	334.23	7.23	-79.91
CC1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=CC(F)=C1C(=O)[O-]	REAL300007450398	0	50	0.0	-89.63	397.67	11.24	-78.39
CC1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=CC(F)=C1C(=O)[O-]	REAL300007450398	1	50	0.0	-84.68	391.62	10.99	-73.69
CC1=CC(NC(=O)C2CCC[N@H+]2C(C)C)=CC(F)=C1C(=O)[O-]	REAL300007450417	0	43	0.0	-80.80	328.46	8.33	-72.47
CC1=CC(NC(=O)C2CCC[N@@H+]2C(C)C)=CC(F)=C1C(=O)[O-]	REAL300007450417	1	43	0.0	-80.27	334.76	8.35	-71.92
CC1=CC(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007450424	0	51	0.0	-88.47	412.26	10.52	-77.95
CC1=CC(NC(=O)COC2CC[NH+](C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007450445	0	44	0.0	-85.31	349.57	8.07	-77.24
CC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=CC(F)=C1C(=O)[O-]	REAL300007450450	0	47	0.0	-89.58	381.46	9.84	-79.74
CC1=CC(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=CC(F)=C1C(=O)[O-]	REAL300007450495	0	49	0.0	-88.69	383.88	9.25	-79.44
CC1=CC(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=CC(F)=C1C(=O)[O-]	REAL300007450495	1	49	0.0	-83.87	387.84	9.47	-74.40
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C1	REAL300007450647	0	46	0.0	-76.69	353.78	9.48	-67.21
CCC[N@H+]1CCCC(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C1	REAL300007450647	1	46	0.0	-78.19	353.67	9.45	-68.74
CC1=CC(NC(=O)C2CCC[N@H+]2CC(C)C)=CC(F)=C1C(=O)[O-]	REAL300007450680	0	46	0.0	-81.80	344.23	9.11	-72.69
CC1=CC(NC(=O)C2CCC[N@@H+]2CC(C)C)=CC(F)=C1C(=O)[O-]	REAL300007450680	1	46	0.0	-81.60	360.49	9.41	-72.19
CC1=CC(NC(=O)C[NH+]2CCC(CO)CC2)=CC(F)=C1C(=O)[O-]	REAL300007450681	1	44	0.0	-87.72	349.28	5.40	-82.32
CC1=CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=CC(F)=C1C(=O)[O-]	REAL300007450783	0	51	0.0	-87.83	405.11	11.74	-76.09
CC1=CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=CC(F)=C1C(=O)[O-]	REAL300007450783	1	51	0.0	-87.09	398.83	11.56	-75.53
CC1=CC(NC(=O)C2CCC[N@@H+](C(C)C)C2)=CC(F)=C1C(=O)[O-]	REAL300007450921	0	46	0.0	-82.51	355.06	9.02	-73.49
CC1=CC(NC(=O)C2CCC[N@H+](C(C)C)C2)=CC(F)=C1C(=O)[O-]	REAL300007450921	1	46	0.0	-80.56	355.21	9.04	-71.52
CC1=CC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=CC(F)=C1C(=O)[O-]	REAL300007450922	0	40	0.0	-91.75	333.40	7.81	-83.94
CC1=CC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=CC(F)=C1C(=O)[O-]	REAL300007450922	1	40	0.0	-90.65	331.71	7.95	-82.70
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(F)=C(C(=O)[O-])C(C)=C2)N1	REAL300007450946	1	41	0.0	-77.75	340.05	7.35	-70.40
CC1=CC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=CC(F)=C1C(=O)[O-]	REAL300007451451	0	46	0.0	-81.80	370.26	10.39	-71.41
CC1=CC(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007451459	0	47	0.0	-85.30	377.43	9.35	-75.95
CC1=CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=CC(F)=C1C(=O)[O-]	REAL300007451560	0	53	0.0	-84.69	416.08	12.17	-72.52
CC1=CC(NC(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007451562	0	51	0.0	-90.96	401.88	9.90	-81.06
CC1=CC(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007451562	1	51	0.0	-90.94	401.64	9.91	-81.03
CC1=CC(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)=CC(F)=C1C(=O)[O-]	REAL300007451562	1	51	0.0	-90.94	401.64	9.91	-81.03
CC1=CC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=CC(F)=C1C(=O)[O-]	REAL300007451609	0	46	0.0	-77.55	341.86	8.74	-68.81
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(F)=C(C(=O)[O-])C(C)=C3)=CN12	REAL300007451613	0	38	0.0	-76.12	321.35	9.35	-66.77
CC1=CC(NC(=O)C2CCC[N@@H+](CC(C)C)C2)=CC(F)=C1C(=O)[O-]	REAL300007451677	0	49	0.0	-79.87	370.07	9.77	-70.10
CC1=CC(NC(=O)C2CCC[N@H+](CC(C)C)C2)=CC(F)=C1C(=O)[O-]	REAL300007451677	1	49	0.0	-83.73	377.11	9.94	-73.79
CC[N@@H+]1CCCC(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C1	REAL300007451678	0	43	0.0	-78.68	331.25	8.33	-70.35
CC[N@H+]1CCCC(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C1	REAL300007451678	1	43	0.0	-77.78	332.35	8.73	-69.05
CC1=CC(NC(=O)C2=CC=C(C[NH+](C)C)O2)=CC(F)=C1C(=O)[O-]	REAL300007451684	1	40	0.0	-90.85	340.90	8.06	-82.79
CC1=CC(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=CC(F)=C1C(=O)[O-]	REAL300007451690	0	49	0.0	-85.05	352.18	8.75	-76.30
CC1=CC(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)=CC(F)=C1C(=O)[O-]	REAL300007451690	1	49	0.0	-84.04	359.82	9.18	-74.86
CC1=CC(NC(=O)C23CC(C2)CN3C2CC2)=CC(F)=C1C(=O)[O-]	REAL300007451693	0	42	0.0	-86.30	332.49	9.21	-77.09
CC1=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC(F)=C1C(=O)[O-]	REAL300007451693	1	42	0.0	-82.22	334.74	8.94	-73.28
CC1=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=CC(F)=C1C(=O)[O-]	REAL300007451693	1	42	0.0	-86.30	332.49	9.21	-77.09
CC(C)(C)O[C@H]1CC[C@H](NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300007451774	1	56	0.0	-46.07	400.51	7.76	-38.31
COC1=CC=C(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCCC2)C=C1	REAL300007451889	1	57	0.0	-51.01	413.18	10.36	-40.65
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC=C(C(F)F)C=N2)C1	REAL300007452035	0	41	0.0	-51.10	339.20	5.45	-45.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC=C(C(F)F)C=N2)C1	REAL300007452035	1	41	0.0	-51.01	334.84	5.51	-45.50
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300007453876	0	50	0.0	-72.13	398.37	10.27	-61.86
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=COC4=CC=CC=C34)C(=O)[O-])CN21	REAL300007453900	1	48	0.0	-63.77	381.84	9.83	-53.94
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C[N@@H+](CC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1CCC1	REAL300007454378	1	46	0.0	-60.24	370.88	9.13	-51.11
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CC[N@@H+]1CCOC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007454549	1	47	0.0	-65.81	358.84	7.91	-57.90
CC[N@H+]1CCOC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007454549	1	47	0.0	-54.13	368.03	8.23	-45.90
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CC(C)[NH+]1CCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007454616	0	52	0.0	-71.11	399.06	10.10	-61.01
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CCC(C(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300007454685	0	45	0.0	-54.94	350.36	8.30	-46.64
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C#CC[NH+]1CCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007454771	0	48	0.0	-78.21	394.01	9.95	-68.26
CC[NH+]1CCN(CCC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007454773	0	54	0.0	-75.67	416.81	7.79	-67.88
CCN1CC[NH+](CCC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007454773	1	54	0.0	-66.35	418.76	7.90	-58.45
CC(C)[N@H+](C)CC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007454774	0	45	0.0	-55.69	353.77	8.49	-47.20
CC(C)[N@@H+](C)CC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007454774	1	45	0.0	-59.36	358.94	8.41	-50.95
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007454778	1	50	0.0	-62.43	405.57	10.41	-52.02
CC[N@H+](CC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300007454784	0	46	0.0	-59.28	373.72	9.26	-50.02
CC[N@@H+](CC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300007454784	1	46	0.0	-60.56	371.12	9.12	-51.44
CC(C(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])[NH+]1CCCCCC1	REAL300007454806	0	52	0.0	-59.89	394.83	9.55	-50.34
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CC(C)(C)[NH2+]CC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007454870	0	45	0.0	-60.90	363.72	6.87	-54.03
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])O1	REAL300007454872	0	52	0.0	-81.62	420.58	10.05	-71.57
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)CCCC[NH+]1CCCC1	REAL300007454873	0	52	0.0	-74.95	415.85	10.52	-64.43
C[N@H+](CC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])CC1=CC=CC=C1	REAL300007454875	1	49	0.0	-62.09	396.82	10.85	-51.24
C[N@@H+](CC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])CC1=CC=CC=C1	REAL300007454875	1	49	0.0	-64.98	401.18	10.80	-54.18
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007454899	1	44	0.0	-79.84	379.46	8.70	-71.14
C[NH+](C)CC1=CC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=NO1	REAL300007454918	1	45	0.0	-83.10	382.86	8.11	-74.99
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007454931	0	49	0.0	-60.24	383.40	9.34	-50.90
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007454931	1	49	0.0	-58.72	377.57	9.30	-49.42
C[NH+]1CCC(OCC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007454946	0	50	0.0	-82.56	404.71	9.23	-73.33
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007454950	0	53	0.0	-82.06	430.67	10.91	-71.15
CCC[N@@H+]1CCCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455078	0	52	0.0	-69.26	408.26	10.22	-59.04
CCC[N@H+]1CCCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455078	1	52	0.0	-68.38	408.51	10.16	-58.22
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C[NH+]1CCC(CO)CC1	REAL300007455100	1	50	0.0	-63.09	398.55	6.32	-56.77
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455255	0	52	0.0	-54.55	390.52	10.25	-44.30
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455255	1	52	0.0	-58.96	387.79	10.06	-48.90
C[N@@H+]1CC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C(C(F)(F)F)C1	REAL300007455256	0	46	0.0	-75.23	370.15	8.76	-66.47
C[N@H+]1CC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C(C(F)(F)F)C1	REAL300007455256	1	46	0.0	-70.53	388.72	8.87	-61.66
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])N1	REAL300007455277	1	47	0.0	-64.89	394.99	8.43	-56.46
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007455625	0	52	0.0	-80.57	419.54	11.53	-69.04
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007455631	0	53	0.0	-86.14	426.01	10.53	-75.61
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455741	0	46	0.0	-69.54	374.06	8.94	-60.60
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007455745	0	52	0.0	-69.65	387.90	9.75	-59.90
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=COC4=CC=CC=C34)C(=O)[O-])=CN21	REAL300007455748	0	44	0.0	-69.46	370.21	10.48	-58.98
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455795	0	55	0.0	-67.28	416.08	10.82	-56.46
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455795	1	55	0.0	-69.78	426.20	10.85	-58.93
CC[N@@H+]1CCCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455796	0	49	0.0	-69.49	386.99	9.41	-60.08
CC[N@H+]1CCCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455796	1	49	0.0	-66.39	381.51	9.56	-56.83
C[N@@H+]1CCCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455801	0	46	0.0	-55.04	356.24	9.08	-45.96
C[N@H+]1CCCC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300007455801	1	46	0.0	-70.36	369.33	8.76	-61.60
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])O1	REAL300007455803	1	46	0.0	-84.15	389.10	9.03	-75.12
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300007455811	1	48	0.0	-59.13	376.38	9.73	-49.40
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300007455811	1	48	0.0	-60.82	371.18	10.00	-50.82
C[NH+](C)CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456278	0	37	0.0	-64.76	309.41	8.69	-56.07
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456289	0	44	0.0	-56.77	349.01	10.11	-46.66
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456289	1	44	0.0	-66.24	338.94	9.72	-56.52
C[NH+]1CCC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])CC1	REAL300007456299	0	44	0.0	-73.86	353.70	10.29	-63.57
C[N@@H+]1CCCC1C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456322	0	41	0.0	-66.28	328.59	9.16	-57.12
C[N@H+]1CCCC1C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456322	1	41	0.0	-59.88	330.02	9.44	-50.44
C[NH+]1CCC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])CC1	REAL300007456341	0	44	0.0	-73.86	353.70	10.29	-63.57
C[C@@H](C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])[NH+](C)C	REAL300007456357	0	40	0.0	-60.45	325.40	8.94	-51.51
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456358	0	41	0.0	-58.63	328.36	9.15	-49.48
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456358	1	41	0.0	-62.40	331.68	9.36	-53.04
C[C@H](C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])[NH+](C)C	REAL300007456361	0	40	0.0	-60.49	324.46	8.86	-51.63
CCC(C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])[NH+](CC)CC	REAL300007456393	0	49	0.0	-55.51	367.02	10.80	-44.71
C[N@@H+]1CCOC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300007456399	1	42	0.0	-73.60	333.18	8.59	-65.01
C[N@H+]1CCOC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300007456399	1	42	0.0	-83.77	340.31	8.80	-74.97
C[NH+](C)CC1(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])CC1	REAL300007456409	0	44	0.0	-72.60	357.59	10.13	-62.47
C[NH+](C)CCCCC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456411	0	46	0.0	-75.40	374.77	10.88	-64.52
CCC[N@H+](C)CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456422	0	43	0.0	-63.17	348.64	10.11	-53.06
CCC[N@@H+](C)CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456422	1	43	0.0	-63.16	348.64	10.11	-53.05
C[N@H+](CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])C1CCC1	REAL300007456428	0	44	0.0	-60.88	355.51	10.67	-50.21
C[N@@H+](CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])C1CCC1	REAL300007456428	1	44	0.0	-60.48	355.64	10.68	-49.80
C[N@H+](CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])CC(C)(C)C	REAL300007456434	0	49	0.0	-62.78	379.04	11.20	-51.58
C[N@@H+](CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])CC(C)(C)C	REAL300007456434	1	49	0.0	-62.29	379.19	11.24	-51.05
CC[C@@H](C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])[NH+](C)C	REAL300007456435	0	43	0.0	-62.05	336.27	9.59	-52.46
C[C@@H]1[C@H](C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])CC[N@@H+]1C	REAL300007456460	0	44	0.0	-69.34	344.84	9.91	-59.43
C[C@@H]1[C@H](C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])CC[N@H+]1C	REAL300007456460	1	44	0.0	-75.54	350.57	9.99	-65.55
CC[C@@H]1[C@@H](C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])CC[N@@H+]1C	REAL300007456462	0	47	0.0	-71.85	366.84	10.32	-61.53
CC[C@@H]1[C@@H](C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])CC[N@H+]1C	REAL300007456462	1	47	0.0	-72.30	370.87	10.80	-61.50
CC1C[N@H+](C)CC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])O1	REAL300007456465	1	45	0.0	-84.32	353.62	9.21	-75.11
CC1C[N@@H+](C)CC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])O1	REAL300007456465	1	45	0.0	-84.45	361.50	9.53	-74.92
O=C([O-])C1C2=CC=C(Br)C=C2CCN1C(=O)C[NH+]1CCCC1	REAL300007456467	0	41	0.0	-63.19	335.45	9.73	-53.46
CC1=[NH+]C=CN1CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456469	1	39	0.0	-60.21	337.81	10.28	-49.93
CC1CC[NH+](CC(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])CC1	REAL300007456483	0	47	0.0	-63.89	372.56	11.07	-52.82
CC[N@@H+]1CCOC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300007456485	1	45	0.0	-71.76	350.44	9.34	-62.42
CC[N@H+]1CCOC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300007456485	1	45	0.0	-80.28	357.56	9.55	-70.73
C[N@@H+]1CCCC1CCC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456494	0	47	0.0	-76.13	377.45	11.14	-64.99
C[N@H+]1CCCC1CCC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456494	1	47	0.0	-70.90	371.35	10.78	-60.12
CC[NH+](CC)CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456500	0	43	0.0	-61.16	340.98	9.77	-51.39
O=C([O-])C1C2=CC=C(Br)C=C2CCN1C(=O)C12CC[NH+](CC1)C2	REAL300007456520	0	42	0.0	-73.81	333.89	8.83	-64.98
CCC(C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])[NH+](C)C	REAL300007456522	0	43	0.0	-66.45	340.50	9.65	-56.80
O=C([O-])C1C2=CC=C(Br)C=C2CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300007456524	0	45	0.0	-74.23	343.88	9.51	-64.72
O=C([O-])C1C2=CC=C(Br)C=C2CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300007456524	1	45	0.0	-71.36	342.06	9.42	-61.94
CC1CCC(C)[NH+]1CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456537	0	47	0.0	-60.12	366.95	10.48	-49.64
CC(C)[N@H+](C)CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456550	0	43	0.0	-60.97	343.82	9.89	-51.08
CC(C)[N@@H+](C)CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456550	1	43	0.0	-60.14	343.83	9.89	-50.25
CC[N@H+](CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])C1CC1	REAL300007456555	0	44	0.0	-59.71	358.57	10.62	-49.09
CC[N@@H+](CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-])C1CC1	REAL300007456555	1	44	0.0	-60.99	355.81	10.72	-50.27
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456560	0	41	0.0	-62.82	334.81	9.63	-53.19
C[N@H+]1CCC[C@H]1C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456560	1	41	0.0	-65.53	328.45	9.12	-56.41
CC(C)(C)[NH2+]CC(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456577	0	43	0.0	-61.22	348.36	8.41	-52.81
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456592	0	47	0.0	-60.12	367.62	10.63	-49.49
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=CC(Br)=CC=C2C1C(=O)[O-]	REAL300007456592	1	47	0.0	-62.65	355.08	10.60	-52.05
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300007456805	0	44	0.0	-74.72	357.64	10.40	-64.32
CC[N@@H+]1CCCC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300007456814	0	47	0.0	-72.00	371.36	10.77	-61.23
CC[N@H+]1CCCC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300007456814	1	47	0.0	-71.99	371.88	10.90	-61.09
C[N@@H+]1CCCC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300007456816	0	44	0.0	-56.21	351.58	10.19	-46.02
C[N@H+]1CCCC(C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300007456816	1	44	0.0	-49.45	341.95	10.30	-39.15
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007456867	0	47	0.0	-48.45	357.90	10.47	-37.98
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007456867	1	47	0.0	-49.33	359.08	10.50	-38.83
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN(CC3=NC=CC=N3)N=C2)C1	REAL300007457048	1	45	0.0	-58.45	358.12	6.18	-52.27
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN(CC3=NC=CC=N3)N=C2)C1	REAL300007457048	1	45	0.0	-54.74	357.30	5.72	-49.02
O=C([O-])C1=NC=CC2=C(NC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C=CC=C21	REAL300007458166	0	52	0.0	-94.47	404.65	11.17	-83.30
O=C([O-])C1=NC=CC2=C(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C=CC=C21	REAL300007458771	0	49	0.0	-86.70	388.88	10.62	-76.08
O=C([O-])C1=NC=CC2=C(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C=CC=C21	REAL300007458771	1	49	0.0	-85.23	386.46	10.50	-74.73
O=C([O-])C1=NC=CC2=C(NC(=O)C3CC[NH+](C4CC4)CC3)C=CC=C21	REAL300007459650	0	46	0.0	-87.33	353.53	8.81	-78.52
O=C([O-])C1=NC=CC2=C(NC(=O)C3CCC[N@@H+]3C3CC3)C=CC=C21	REAL300007459676	0	43	0.0	-85.08	336.96	7.93	-77.15
O=C([O-])C1=NC=CC2=C(NC(=O)C3CCC[N@H+]3C3CC3)C=CC=C21	REAL300007459676	1	43	0.0	-80.24	337.32	8.26	-71.98
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC4=C(C(=O)[O-])N=CC=C34)CN21	REAL300007459682	1	44	0.0	-78.54	352.34	8.69	-69.85
O=C([O-])C1=NC=CC2=C(NC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C=CC=C21	REAL300007459683	0	52	0.0	-83.37	399.17	10.58	-72.79
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007459761	0	42	0.0	-85.45	315.42	7.38	-78.07
C[N@H+]1CCCCC1C(=O)NC1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007459761	1	42	0.0	-84.85	316.77	7.40	-77.45
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CCC[N@@H+](CCNC(=O)C1=C(CC(=O)[O-])OC=C1C)C(C)C	REAL300007466615	1	48	0.0	-71.69	369.08	7.28	-64.41
CCC[N@H+](CCNC(=O)CC1CCC(C(=O)[O-])CC1)C(C)C	REAL300007466616	0	54	0.0	-78.35	383.64	8.57	-69.78
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CC1=C(C)[NH+]=C(CCC(=O)N(CC(=O)[O-])CC2=CC=CO2)N1	REAL300007477112	1	41	0.0	-47.18	345.50	7.85	-39.33
C[NH+](C)CCC1=CC=CC(C(=O)N(CC(=O)[O-])CC2=CC=CO2)=C1	REAL300007477486	0	46	0.0	-73.73	370.27	10.44	-63.29
C[NH+](C)CCOC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CO2)C=C1	REAL300007477492	0	47	0.0	-69.42	379.54	9.40	-60.02
O=C([O-])CN(CC1=CC=CO1)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300007477575	0	53	0.0	-57.60	414.98	12.51	-45.09
CC1C[N@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])CC3=CC=CO3)C=C2)CCO1	REAL300007477577	1	51	0.0	-69.43	390.92	9.51	-59.92
CC1C[N@@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])CC3=CC=CO3)C=C2)CCO1	REAL300007477577	1	51	0.0	-69.71	394.42	9.72	-59.99
C[NH+](C)[C@H]1CC[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300007477603	0	46	0.0	-61.41	342.88	8.95	-52.46
CC1=[NH+]C=C2C=CC(C(=O)N(CC(=O)[O-])CC3=CC=CO3)=CN21	REAL300007477608	0	38	0.0	-57.93	330.66	9.63	-48.30
CC(C)C[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300007477656	0	49	0.0	-58.06	370.34	9.93	-48.13
CC(C)C[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300007477656	1	49	0.0	-46.83	362.70	10.19	-36.64
C[NH+](C)CC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CO2)O1	REAL300007477661	1	40	0.0	-56.83	335.71	8.40	-48.43
O=C([O-])CN(CC1=CC=CO1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300007477668	1	42	0.0	-35.90	318.99	8.41	-27.49
O=C([O-])CN(CC1=CC=CO1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300007477668	1	42	0.0	-50.28	319.07	8.65	-41.63
CC[C@H](CC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007477729	0	49	0.0	-47.68	369.61	9.79	-37.89
CC[C@H](CC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007477729	1	49	0.0	-48.91	370.68	9.83	-39.08
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300007479632	0	55	0.0	-36.95	375.20	8.37	-28.58
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CCOCC4)CCC3C(=O)[O-])CN12	REAL300007479656	1	53	0.0	-70.53	378.38	9.98	-60.55
CC(C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])N1CC[NH+](C)CC1	REAL300007479719	1	56	0.0	-73.38	373.33	6.49	-66.89
C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007479749	0	51	0.0	-61.17	350.09	8.72	-52.45
C[N@H+]1CCCC[C@H]1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007479749	1	51	0.0	-61.67	334.02	7.88	-53.79
C[NH+]1CCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007479810	0	51	0.0	-55.57	349.88	7.48	-48.09
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300007479837	0	46	0.0	-70.03	348.15	10.68	-59.35
C[NH+](C)CC1(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CCCCC1	REAL300007479865	0	60	0.0	-85.56	373.10	9.49	-76.07
C[N@H+](CCC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCCCC1	REAL300007479869	0	60	0.0	-72.59	403.67	10.60	-61.99
C[N@@H+](CCC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCCCC1	REAL300007479869	1	60	0.0	-74.19	408.23	10.89	-63.30
C[N@@H+]1CCCC1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007479882	0	48	0.0	-61.52	329.15	7.97	-53.55
C[N@H+]1CCCC1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007479882	1	48	0.0	-61.13	326.22	7.41	-53.72
C[NH+]1CCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007479927	0	51	0.0	-55.57	349.88	7.48	-48.09
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300007479930	0	54	0.0	-95.71	391.43	9.40	-86.31
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300007479941	0	62	0.0	-68.17	411.71	9.11	-59.06
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007479971	1	52	0.0	-74.11	380.48	10.14	-63.97
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300007479972	1	58	0.0	-82.26	408.08	8.87	-73.39
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007479976	0	48	0.0	-60.34	323.09	7.36	-52.98
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007479976	1	48	0.0	-64.91	331.81	8.09	-56.82
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300007480009	0	58	0.0	-72.48	405.96	11.20	-61.28
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300007480009	1	58	0.0	-71.87	410.84	11.68	-60.19
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300007480010	0	59	0.0	-84.90	410.01	10.90	-74.00
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300007480032	0	62	0.0	-73.29	406.07	8.70	-64.59
CCC(C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[NH+](CC)CC	REAL300007480036	0	56	0.0	-58.06	369.70	8.94	-49.12
CC(C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300007480038	0	57	0.0	-54.36	394.84	10.38	-43.98
CC(C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300007480038	1	57	0.0	-38.11	397.88	10.10	-28.01
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C=N1	REAL300007480057	0	53	0.0	-89.81	375.86	8.73	-81.08
CCC[NH+](CCC)CCCC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480060	0	62	0.0	-74.81	427.41	11.02	-63.79
C[N@@H+]1CCOC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007480062	1	49	0.0	-74.21	344.99	7.03	-67.18
C[N@H+]1CCOC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007480062	1	49	0.0	-86.99	338.54	6.94	-80.05
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480069	1	52	0.0	-61.61	375.78	9.78	-51.83
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300007480082	0	58	0.0	-95.75	404.91	11.45	-84.30
C[NH+](C)CC1(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480088	0	51	0.0	-74.68	348.01	8.43	-66.25
C[NH+](C)CCCCC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480095	0	53	0.0	-81.43	375.18	9.42	-72.01
CC1=C(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300007480112	1	52	0.0	-86.66	377.71	8.52	-78.14
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300007480124	1	54	0.0	-84.01	391.39	9.71	-74.30
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C=C1	REAL300007480125	0	57	0.0	-99.14	402.59	11.15	-87.99
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480130	1	50	0.0	-35.01	363.62	6.92	-28.09
CCC[N@H+](C)CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480137	0	50	0.0	-61.63	344.00	8.23	-53.40
CCC[N@@H+](C)CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480137	1	50	0.0	-62.99	344.29	8.38	-54.61
C[N@H+](CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCC1	REAL300007480151	0	51	0.0	-61.47	352.13	9.08	-52.39
C[N@@H+](CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCC1	REAL300007480151	1	51	0.0	-60.95	351.28	8.97	-51.98
CC(C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[NH+]1CCSCC1	REAL300007480171	1	52	0.0	-62.16	367.21	8.98	-53.18
C[N@H+](CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])CC(C)(C)C	REAL300007480174	0	56	0.0	-60.76	377.82	9.54	-51.22
C[N@@H+](CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])CC(C)(C)C	REAL300007480174	1	56	0.0	-60.31	370.65	9.13	-51.18
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480176	0	57	0.0	-64.91	404.19	11.41	-53.50
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480176	1	57	0.0	-63.41	403.90	11.26	-52.15
COCCOCC[N@H+](C)CCC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480177	0	61	0.0	-71.24	433.27	7.63	-63.61
COCCOCC[N@@H+](C)CCC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480177	1	61	0.0	-73.83	432.93	7.60	-66.23
CC[C@@H](C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[NH+](C)C	REAL300007480180	0	50	0.0	-56.80	332.31	7.08	-49.72
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007480182	0	55	0.0	-73.05	373.02	7.03	-66.02
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007480182	1	55	0.0	-73.43	367.13	6.87	-66.56
CCCCCC[N@H+](C)CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480194	0	59	0.0	-62.62	408.50	10.58	-52.04
CCCCCC[N@@H+](C)CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480194	1	59	0.0	-64.03	408.78	10.73	-53.30
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300007480208	1	46	0.0	-74.42	348.39	10.68	-63.74
C[N@H+](CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCSC1	REAL300007480217	0	52	0.0	-65.80	365.23	9.35	-56.45
C[N@@H+](CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCSC1	REAL300007480217	1	52	0.0	-67.82	364.35	9.20	-58.62
CC(C)[NH+]1CCN(CCC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480232	0	62	0.0	-78.10	416.65	7.93	-70.17
CC(C)N1CC[NH+](CCC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480232	1	62	0.0	-72.31	421.66	8.27	-64.04
CC(C)[NH+]1CCN(CCCC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480233	0	65	0.0	-76.70	442.11	8.97	-67.73
CC(C)N1CC[NH+](CCCC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480233	1	65	0.0	-76.29	443.16	9.05	-67.24
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300007480234	0	55	0.0	-61.97	370.91	9.86	-52.11
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300007480234	1	55	0.0	-58.23	366.76	9.64	-48.59
C[NH+](C)CCN1C=C(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C=N1	REAL300007480236	0	54	0.0	-87.63	391.76	8.63	-79.00
CC(C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007480244	1	58	0.0	-64.94	401.08	11.16	-53.78
CC(C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007480244	1	58	0.0	-60.06	400.51	11.19	-48.87
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300007480271	0	54	0.0	-99.98	390.81	8.95	-91.03
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480272	0	54	0.0	-49.71	374.75	7.84	-41.87
C[C@@H]1[C@H](C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC[N@@H+]1C	REAL300007480274	0	51	0.0	-76.25	338.24	7.73	-68.52
C[C@@H]1[C@H](C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC[N@H+]1C	REAL300007480274	1	51	0.0	-64.28	347.65	7.89	-56.39
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480275	1	55	0.0	-67.29	391.52	10.11	-57.18
CC[C@@H]1[C@@H](C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC[N@@H+]1C	REAL300007480278	0	54	0.0	-74.73	360.64	8.48	-66.25
CC[C@@H]1[C@@H](C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC[N@H+]1C	REAL300007480278	1	54	0.0	-74.12	372.62	9.20	-64.92
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=NN1	REAL300007480280	1	55	0.0	-89.13	387.80	8.81	-80.32
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=NN1	REAL300007480280	1	55	0.0	-88.47	392.99	8.62	-79.85
CC1C[N@H+](C)CC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])O1	REAL300007480285	1	52	0.0	-68.87	350.56	7.34	-61.53
CC1C[N@@H+](C)CC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])O1	REAL300007480285	1	52	0.0	-85.99	355.34	7.41	-78.58
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C[NH+]1CCCC1	REAL300007480291	0	48	0.0	-64.40	333.93	8.17	-56.23
CC1=[NH+]C=CN1CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480293	1	46	0.0	-63.81	339.25	8.86	-54.95
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480295	1	55	0.0	-73.18	377.95	7.67	-65.51
CC1CC[NH+](CC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480313	0	54	0.0	-65.09	371.74	9.55	-55.54
CC[N@@H+]1CCOC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007480324	1	52	0.0	-85.18	355.28	7.43	-77.75
CC[N@H+]1CCOC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007480324	1	52	0.0	-58.95	347.93	7.59	-51.36
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300007480353	0	61	0.0	-74.22	414.98	11.11	-63.11
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300007480353	1	61	0.0	-73.39	409.59	10.82	-62.57
C[N@@H+]1CCCC1CCC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480359	0	54	0.0	-80.94	373.62	9.68	-71.26
C[N@H+]1CCCC1CCC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480359	1	54	0.0	-74.18	367.36	9.17	-65.01
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300007480370	0	55	0.0	-55.07	357.64	8.55	-46.52
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300007480370	1	55	0.0	-63.21	368.91	9.44	-53.77
CC[NH+](CC)CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480389	0	50	0.0	-62.71	344.93	8.31	-54.40
CC(C)[NH+]1CCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480391	0	57	0.0	-79.94	389.10	10.12	-69.82
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C12CC[NH+](CC1)C2	REAL300007480458	0	49	0.0	-80.90	331.57	7.52	-73.38
CCC(C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[NH+](C)C	REAL300007480461	0	50	0.0	-62.51	334.26	7.82	-54.69
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300007480468	0	52	0.0	-86.01	336.66	7.85	-78.16
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300007480468	1	52	0.0	-79.23	334.15	7.95	-71.28
CC1CCC(C)[NH+]1CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480503	0	54	0.0	-62.23	367.64	9.24	-52.99
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=C1	REAL300007480504	0	54	0.0	-71.61	392.58	10.80	-60.81
C#CC[NH+]1CCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480551	0	53	0.0	-85.44	379.45	10.08	-75.36
CC[NH+]1CCN(CCC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480553	0	59	0.0	-81.11	408.51	7.96	-73.15
CCN1CC[NH+](CCC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480553	1	59	0.0	-72.41	408.42	7.95	-64.46
CC(C)[N@H+](C)CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480554	0	50	0.0	-59.05	339.19	8.02	-51.03
CC(C)[N@@H+](C)CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480554	1	50	0.0	-60.71	339.15	8.15	-52.56
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480559	1	55	0.0	-67.52	394.88	10.41	-57.11
CC[N@H+](CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CC1	REAL300007480566	0	51	0.0	-60.51	358.18	9.01	-51.50
CC[N@@H+](CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CC1	REAL300007480566	1	51	0.0	-62.64	355.60	9.07	-53.57
CC(C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[NH+]1CCCCCC1	REAL300007480589	0	57	0.0	-59.97	376.63	9.54	-50.43
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480592	0	48	0.0	-62.95	331.65	8.06	-54.89
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480592	1	48	0.0	-63.05	323.40	7.51	-55.54
CC(C)(C)[NH2+]CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480658	0	50	0.0	-62.30	348.79	6.94	-55.36
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])O1	REAL300007480660	0	57	0.0	-88.29	406.47	10.19	-78.10
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)CCCC[NH+]1CCCC1	REAL300007480661	0	57	0.0	-79.33	401.14	10.59	-68.74
C[N@H+](CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300007480663	1	54	0.0	-67.60	386.25	10.55	-57.05
C[N@@H+](CC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300007480663	1	54	0.0	-66.38	382.26	10.42	-55.96
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300007480687	1	49	0.0	-85.14	365.99	8.46	-76.68
C[NH+](C)CC1=CC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=NO1	REAL300007480706	1	50	0.0	-85.14	365.50	8.43	-76.71
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480719	0	54	0.0	-66.34	359.82	9.23	-57.11
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300007480719	1	54	0.0	-56.42	340.96	8.05	-48.37
C[NH+]1CCC(OCC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007480736	0	55	0.0	-86.82	389.12	8.77	-78.05
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300007480740	0	58	0.0	-89.72	411.45	10.65	-79.07
CCC[N@@H+]1CCCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007480875	0	57	0.0	-56.21	377.38	9.81	-46.40
CCC[N@H+]1CCCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007480875	1	57	0.0	-82.08	393.80	10.28	-71.80
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300007480897	0	55	0.0	-66.19	383.64	6.40	-59.79
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007481061	0	57	0.0	-58.46	374.13	9.69	-48.77
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007481061	1	57	0.0	-53.68	385.82	8.70	-44.98
C[N@@H+]1CC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C(C(F)(F)F)C1	REAL300007481062	0	51	0.0	-66.98	358.62	8.10	-58.88
C[N@H+]1CC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C(C(F)(F)F)C1	REAL300007481062	1	51	0.0	-77.80	358.38	8.13	-69.67
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])N1	REAL300007481083	1	52	0.0	-67.86	379.74	8.52	-59.34
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=C1	REAL300007481453	0	57	0.0	-75.40	415.07	11.65	-63.75
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C=C1	REAL300007481459	0	58	0.0	-92.66	415.56	10.31	-82.35
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007481573	0	51	0.0	-76.11	356.27	8.93	-67.18
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300007481577	0	57	0.0	-66.36	378.40	9.43	-56.93
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CCOCC4)CCC3C(=O)[O-])=CN21	REAL300007481581	0	49	0.0	-76.90	359.17	10.22	-66.68
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007481630	0	60	0.0	-60.41	397.24	10.61	-49.80
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007481630	1	60	0.0	-72.87	409.10	10.66	-62.21
CC[N@@H+]1CCCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007481631	0	54	0.0	-56.24	355.91	9.07	-47.17
CC[N@H+]1CCCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007481631	1	54	0.0	-73.37	364.15	9.25	-64.12
C[N@@H+]1CCCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007481636	0	51	0.0	-58.51	344.45	8.61	-49.90
C[N@H+]1CCCC(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300007481636	1	51	0.0	-35.76	339.36	7.37	-28.39
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])O1	REAL300007481638	1	51	0.0	-92.46	370.89	8.87	-83.59
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300007481646	0	53	0.0	-68.54	356.90	9.25	-59.29
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300007481646	1	53	0.0	-75.26	360.95	9.58	-65.68
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC(O)C(F)(F)F)C2CC2)C1	REAL300007481714	0	44	0.0	-45.41	340.01	6.15	-39.26
O=C([O-])C1CCC[N@H+](CC(=O)N(CC(O)C(F)(F)F)C2CC2)C1	REAL300007481714	1	44	0.0	-48.94	339.89	6.22	-42.72
COC1=CC=C([C@H](C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007481948	0	49	0.0	-61.23	389.05	8.99	-52.24
COC1=CC=C([C@H](C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007481948	1	49	0.0	-59.59	383.58	9.02	-50.57
COC1=CC2=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007482074	0	47	0.0	-50.42	361.91	8.99	-41.43
COC1=CC2=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007482074	1	47	0.0	-49.57	356.44	9.01	-40.56
C[C@H](CC1=CC=C2OCCOC2=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007482203	0	52	0.0	-49.84	393.95	7.91	-41.93
C[C@H](CC1=CC=C2OCCOC2=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007482203	1	52	0.0	-52.01	394.78	8.38	-43.63
CCOC1=CC=C(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300007482321	0	51	0.0	-50.57	392.00	9.17	-41.40
CCOC1=CC=C(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300007482321	1	51	0.0	-47.34	386.52	8.63	-38.71
C[C@@H]1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)[C@@H](C2=CC=CO2)C1	REAL300007482427	0	50	0.0	-47.13	369.70	9.91	-37.22
C[C@@H]1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)[C@@H](C2=CC=CO2)C1	REAL300007482427	1	50	0.0	-48.96	363.38	9.91	-39.05
O=C([O-])C1=NNC(C2CCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CC2)=C1	REAL300007483467	0	57	0.0	-89.60	433.56	10.80	-78.80
O=C([O-])C1=NNC(C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2)=C1	REAL300007484029	0	54	0.0	-78.00	409.77	9.81	-68.19
O=C([O-])C1=NNC(C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2)=C1	REAL300007484029	1	54	0.0	-78.33	413.14	10.19	-68.14
O=C([O-])C1=NNC(C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)=C1	REAL300007484869	0	51	0.0	-84.31	386.71	8.69	-75.62
O=C([O-])C1=NNC(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)=C1	REAL300007484894	0	48	0.0	-75.11	367.33	8.03	-67.08
O=C([O-])C1=NNC(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)=C1	REAL300007484894	1	48	0.0	-75.15	362.57	7.89	-67.26
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=CC(C(=O)[O-])=NN4)CC3)CN21	REAL300007484900	1	49	0.0	-74.79	380.87	8.33	-66.46
O=C([O-])C1=NNC(C2CCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CC2)=C1	REAL300007484901	0	57	0.0	-76.59	432.04	10.58	-66.01
C[N@@H+]1CCCCC1C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1	REAL300007484981	0	47	0.0	-79.28	353.86	7.29	-71.99
C[N@H+]1CCCCC1C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1	REAL300007484981	1	47	0.0	-80.56	346.16	6.93	-73.63
CC(C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1)N1CC[NH+](C)CC1	REAL300007484982	1	52	0.0	-79.17	380.84	5.22	-73.95
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1	REAL300007485022	0	47	0.0	-77.13	353.87	7.29	-69.84
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1	REAL300007485022	1	47	0.0	-80.54	346.11	6.94	-73.60
C[NH+]1CCC(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)CC1	REAL300007485109	0	47	0.0	-87.03	357.38	7.28	-79.75
O=C([O-])C1=NNC(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)=C1	REAL300007485139	0	42	0.0	-82.91	347.96	9.04	-73.87
C[NH+](C)CC1(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)CCCCC1	REAL300007485173	0	56	0.0	-83.84	388.32	8.82	-75.02
C[N@H+](CCC(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1)C1CCCCC1	REAL300007485178	0	56	0.0	-82.79	411.88	9.37	-73.42
C[N@@H+](CCC(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1)C1CCCCC1	REAL300007485178	1	56	0.0	-82.79	411.83	9.36	-73.43
C[N@@H+]1CCCC1C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1	REAL300007485195	0	44	0.0	-78.07	331.83	6.26	-71.81
C[N@H+]1CCCC1C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1	REAL300007485195	1	44	0.0	-77.24	336.28	6.54	-70.70
C[NH+]1CCC(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)CC1	REAL300007485251	0	47	0.0	-87.03	357.38	7.28	-79.75
O=C([O-])C1=NNC(C2CCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CC2)=C1	REAL300007485255	0	50	0.0	-84.65	401.31	7.99	-76.66
O=C([O-])C1=NNC(C2CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2)=C1	REAL300007485275	0	57	0.0	-75.40	402.88	9.33	-66.07
O=C([O-])C1=NNC(C2CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2)=C1	REAL300007485275	1	57	0.0	-75.92	405.86	9.44	-66.48
O=C([O-])C1=NNC(C2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)=C1	REAL300007485276	0	58	0.0	-84.45	424.94	7.90	-76.55
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1	REAL300007485312	1	48	0.0	-77.79	384.43	8.67	-69.12
O=C([O-])C1=NNC(C2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)=C1	REAL300007485313	1	54	0.0	-84.31	411.73	7.35	-76.96
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)C=C1)C(C)C	REAL300007485316	0	59	0.0	-85.59	438.60	10.47	-75.12
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)C=C1)C(C)C	REAL300007485316	1	59	0.0	-85.62	429.80	10.04	-75.58
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1	REAL300007485319	0	44	0.0	-79.25	332.59	6.23	-73.02
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1	REAL300007485319	1	44	0.0	-77.28	336.18	6.56	-70.72
C[NH+](C)C1(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)CC1	REAL300007485328	0	44	0.0	-82.48	335.93	6.42	-76.06
O=C([O-])C1=NNC(C2CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC2)=C1	REAL300007485374	0	54	0.0	-82.41	414.72	10.06	-72.35
O=C([O-])C1=NNC(C2CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)=C1	REAL300007485374	1	54	0.0	-83.44	413.33	9.98	-73.46
O=C([O-])C1=NNC(C2CCN(C(=O)C3CC[NH+](C4CCSC4)CC3)CC2)=C1	REAL300007485375	0	55	0.0	-91.64	412.60	9.26	-82.38
O=C([O-])C1=NNC(C2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC2)=C1	REAL300007485399	0	58	0.0	-81.64	410.28	7.63	-74.01
CCC(C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1)[NH+](CC)CC	REAL300007485403	0	52	0.0	-73.67	372.57	7.87	-65.80
CC(C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300007485405	0	53	0.0	-79.47	406.82	9.65	-69.82
CC(C(=O)N1CCC(C2=CC(C(=O)[O-])=NN2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300007485405	1	53	0.0	-80.69	406.34	9.63	-71.06
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CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489294	1	51	0.0	-70.34	384.27	7.27	-63.07
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CCC(C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)[NH+](CC)CC	REAL300007489368	0	55	0.0	-59.92	368.08	6.23	-53.69
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CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489396	1	51	0.0	-65.94	379.06	7.05	-58.89
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C[NH+](C)CCCCC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489409	0	52	0.0	-73.78	376.88	6.41	-67.37
CC(C)C(C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)[NH+](C)C	REAL300007489419	0	52	0.0	-73.07	337.67	6.30	-66.77
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CCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489440	0	49	0.0	-71.61	352.54	5.68	-65.93
CCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489440	1	49	0.0	-71.15	349.89	5.76	-65.39
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)C1CCC1	REAL300007489457	0	50	0.0	-67.90	356.77	6.34	-61.56
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)C1CCC1	REAL300007489457	1	50	0.0	-68.31	356.90	6.35	-61.96
CC(C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)[NH+]1CCSCC1	REAL300007489469	1	51	0.0	-67.40	359.66	6.16	-61.24
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)CC(C)(C)C	REAL300007489470	0	55	0.0	-70.06	385.46	6.90	-63.16
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)CC(C)(C)C	REAL300007489470	1	55	0.0	-68.97	381.18	6.89	-62.08
CC[C@@H](C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)[NH+](C)C	REAL300007489473	0	49	0.0	-71.20	336.01	5.53	-65.67
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007489475	0	54	0.0	-82.51	377.62	3.96	-78.55
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007489475	1	54	0.0	-83.87	367.76	3.78	-80.09
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489495	0	58	0.0	-72.70	417.06	8.04	-64.66
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489495	1	58	0.0	-72.43	414.39	8.09	-64.34
O=C([O-])C1CCN(C(=O)C23CCC[NH+]2CCC3)C12CCS(=O)(=O)CC2	REAL300007489501	0	51	0.0	-70.03	343.28	5.71	-64.32
O=C([O-])C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C12CCS(=O)(=O)CC2	REAL300007489508	1	45	0.0	-85.27	336.93	7.13	-78.14
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)C1CCSC1	REAL300007489514	0	51	0.0	-73.14	368.37	6.51	-66.63
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)C1CCSC1	REAL300007489514	1	51	0.0	-76.93	370.79	6.45	-70.48
O=C([O-])C1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C12CCS(=O)(=O)CC2	REAL300007489527	0	54	0.0	-81.78	365.69	6.27	-75.51
O=C([O-])C1CCN(C(=O)C2CCCC3CCC[N@H+]32)C12CCS(=O)(=O)CC2	REAL300007489527	1	54	0.0	-59.90	359.63	6.08	-53.82
C[NH+](C)CCN1C=C(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C=N1	REAL300007489528	0	53	0.0	-81.28	395.35	5.68	-75.60
CCCC(C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)[NH+](C)C	REAL300007489545	0	52	0.0	-65.02	353.49	5.85	-59.17
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)=N1	REAL300007489554	0	53	0.0	-89.33	392.69	5.80	-83.53
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489555	0	53	0.0	-64.64	387.84	5.63	-59.01
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)CC[N@@H+]1C	REAL300007489557	0	50	0.0	-77.41	347.86	5.25	-72.16
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)CC[N@H+]1C	REAL300007489557	1	50	0.0	-75.48	350.65	5.42	-70.06
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489559	1	54	0.0	-65.84	397.48	7.43	-58.41
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)CC[N@@H+]1C	REAL300007489561	0	53	0.0	-70.01	369.94	5.99	-64.02
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)CC[N@H+]1C	REAL300007489561	1	53	0.0	-85.99	367.31	5.82	-80.17
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489563	1	49	0.0	-80.08	353.17	5.68	-74.40
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489563	1	49	0.0	-69.44	362.04	6.54	-62.90
CC1C[N@H+](C)CC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)O1	REAL300007489566	1	51	0.0	-90.52	356.06	4.37	-86.15
CC1C[N@@H+](C)CC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)O1	REAL300007489566	1	51	0.0	-77.03	355.22	4.42	-72.61
O=C([O-])C1CCN(C(=O)C[NH+]2CCCC2)C12CCS(=O)(=O)CC2	REAL300007489572	0	47	0.0	-85.19	336.68	5.08	-80.11
CC1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489574	1	45	0.0	-64.71	338.46	5.98	-58.73
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489576	1	54	0.0	-69.64	379.66	4.85	-64.79
CC1CC[NH+](CC(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)CC1	REAL300007489593	0	53	0.0	-87.00	372.78	6.41	-80.59
C[N@@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489623	0	53	0.0	-85.59	378.77	6.55	-79.04
C[N@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489623	1	53	0.0	-72.67	373.05	6.29	-66.38
O=C([O-])C1CCN(C(=O)C23CCC[NH+](CCC2)C3)C12CCS(=O)(=O)CC2	REAL300007489631	0	54	0.0	-82.11	358.68	5.70	-76.41
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489633	0	51	0.0	-58.91	352.81	2.54	-56.37
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489633	1	51	0.0	-71.92	350.89	1.76	-70.16
O=C([O-])C1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C12CCS(=O)(=O)CC2	REAL300007489634	0	54	0.0	-69.12	371.38	6.71	-62.41
O=C([O-])C1CCN(C(=O)C2CCC3CCCC[N@H+]32)C12CCS(=O)(=O)CC2	REAL300007489634	1	54	0.0	-77.31	374.90	6.74	-70.57
CC[NH+](CC)CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489645	0	49	0.0	-70.22	348.47	5.62	-64.60
CC(C)[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)CC1	REAL300007489647	0	56	0.0	-73.56	382.96	6.69	-66.87
O=C([O-])C1CCN(C(=O)C23CC[NH+](CC2)C3)C12CCS(=O)(=O)CC2	REAL300007489698	0	48	0.0	-84.62	336.00	4.30	-80.32
CCC(C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)[NH+](C)C	REAL300007489701	0	49	0.0	-63.29	332.87	4.91	-58.38
O=C([O-])C1CCN(C(=O)C23CC[N@H+](C2)CCC3)C12CCS(=O)(=O)CC2	REAL300007489708	0	51	0.0	-83.71	343.17	4.85	-78.86
O=C([O-])C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C12CCS(=O)(=O)CC2	REAL300007489708	1	51	0.0	-67.37	348.43	5.45	-61.92
CC1CCC(C)[NH+]1CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489735	0	53	0.0	-65.62	370.27	6.19	-59.43
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)=C1	REAL300007489736	0	53	0.0	-80.89	384.74	7.10	-73.79
C[NH+](C)C1(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)CCC1	REAL300007489761	0	50	0.0	-67.98	341.75	5.54	-62.44
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)CC1	REAL300007489776	0	52	0.0	-75.86	377.46	6.95	-68.91
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489777	0	56	0.0	-83.78	378.55	6.51	-77.27
CCC[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489777	1	56	0.0	-64.31	382.15	7.11	-57.20
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489778	0	53	0.0	-54.91	362.88	7.72	-47.19
CC(C)[N@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489779	0	49	0.0	-67.77	345.10	5.55	-62.22
CC(C)[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489779	1	49	0.0	-67.76	345.09	5.53	-62.23
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)C1=CC=CC=C1	REAL300007489780	1	53	0.0	-71.89	384.10	7.71	-64.18
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489785	1	54	0.0	-76.39	396.58	7.22	-69.17
O=C([O-])C1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C12CCS(=O)(=O)CC2	REAL300007489790	0	57	0.0	-68.35	371.34	6.71	-61.64
O=C([O-])C1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C12CCS(=O)(=O)CC2	REAL300007489790	1	57	0.0	-79.88	393.59	7.35	-72.53
CC[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)C1CC1	REAL300007489792	0	50	0.0	-80.73	358.70	5.96	-74.77
CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)C1CC1	REAL300007489792	1	50	0.0	-63.46	353.69	6.14	-57.32
CC(C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)[NH+]1CCCCCC1	REAL300007489805	0	56	0.0	-77.86	376.40	6.35	-71.51
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489808	0	47	0.0	-80.32	336.72	4.92	-75.40
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489808	1	47	0.0	-73.83	329.12	4.79	-69.04
CC(C)(C)[NH2+]CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489849	0	49	0.0	-69.84	352.25	4.08	-65.76
O=C([O-])C1CCN(C(=O)CCCC[NH+]2CCCC2)C12CCS(=O)(=O)CC2	REAL300007489850	0	56	0.0	-72.68	404.62	7.69	-64.99
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)CC1=CC=CC=C1	REAL300007489852	1	53	0.0	-74.72	387.33	7.95	-66.77
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)CC1=CC=CC=C1	REAL300007489852	1	53	0.0	-75.47	390.04	7.88	-67.59
CC(C)[C@@H](C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2)[NH+](C)C	REAL300007489859	0	52	0.0	-79.49	347.91	5.66	-73.83
C[NH+](C)CC1=CC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)=NO1	REAL300007489882	1	49	0.0	-78.69	371.27	5.52	-73.17
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489891	0	53	0.0	-75.26	347.93	5.64	-69.62
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007489891	1	53	0.0	-66.81	371.26	6.39	-60.42
C[NH+]1CCC(OCC(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)CC1	REAL300007489904	0	54	0.0	-77.19	393.25	6.03	-71.16
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007489996	0	56	0.0	-76.45	382.16	6.98	-69.47
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007489996	1	56	0.0	-78.31	381.82	6.86	-71.45
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007490010	0	56	0.0	-82.24	380.59	6.25	-75.99
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])C12CCS(=O)(=O)CC2	REAL300007490010	1	56	0.0	-65.79	389.45	7.22	-58.57
O=C([O-])C1CCN(C(=O)C[NH+]2CCC(CO)CC2)C12CCS(=O)(=O)CC2	REAL300007490011	0	54	0.0	-87.36	383.48	3.10	-84.26
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007490136	0	56	0.0	-80.23	385.66	6.51	-73.72
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007490136	1	56	0.0	-71.81	391.14	7.08	-64.73
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)N1	REAL300007490151	1	51	0.0	-66.95	383.52	5.66	-61.29
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007490490	0	50	0.0	-80.63	360.55	5.73	-74.90
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)CC1	REAL300007490494	0	56	0.0	-59.02	373.09	7.03	-51.99
CC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007490532	0	53	0.0	-83.01	371.55	6.13	-76.88
CC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007490532	1	53	0.0	-83.01	371.55	6.13	-76.88
C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007490537	0	50	0.0	-64.46	341.16	6.28	-58.18
C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C1	REAL300007490537	1	50	0.0	-64.46	341.16	6.28	-58.18
CN(C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)O1	REAL300007490539	0	50	0.0	-71.85	375.62	6.12	-65.73
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)O1	REAL300007490539	1	50	0.0	-71.85	375.62	6.12	-65.73
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O=C([O-])CC1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300007491419	0	47	0.0	-67.78	365.75	9.52	-58.26
CC1=NC(C[NH+]2CCC(C(=O)NC3(CC(=O)[O-])CC3)CC2)=CS1	REAL300007492468	1	46	0.0	-64.10	372.62	7.59	-56.51
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007492502	0	50	0.0	-71.31	398.55	8.88	-62.43
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007492507	0	50	0.0	-70.82	400.25	11.43	-59.39
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007492507	1	50	0.0	-71.55	400.23	11.43	-60.12
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C[N@H+]1CCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C(C)(C)C1	REAL300007507795	1	50	0.0	-82.75	378.01	8.80	-73.95
C[N@@H+]1CCC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C(C)(C)C1	REAL300007507796	0	50	0.0	-91.09	383.87	10.22	-80.87
C[N@H+]1CCC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C(C)(C)C1	REAL300007507796	1	50	0.0	-91.09	383.87	10.22	-80.87
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1CC[N@@H+](C)CC1(C)C	REAL300007507797	0	46	0.0	-67.28	341.89	8.78	-58.50
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1CC[N@H+](C)CC1(C)C	REAL300007507797	1	46	0.0	-67.28	341.89	8.78	-58.50
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1CC[N@@H+](C)CC1(C)C	REAL300007507798	0	45	0.0	-74.23	331.53	6.87	-67.36
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1CC[N@H+](C)CC1(C)C	REAL300007507798	1	45	0.0	-74.23	331.53	6.87	-67.36
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1CC[N@@H+](C)CC1(C)C	REAL300007507799	0	46	0.0	-75.61	341.90	8.77	-66.84
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1CC[N@H+](C)CC1(C)C	REAL300007507799	1	46	0.0	-75.61	341.90	8.77	-66.84
C[N@@H+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)(C)C1	REAL300007507800	0	43	0.0	-73.81	338.34	8.61	-65.20
C[N@H+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)(C)C1	REAL300007507800	1	43	0.0	-73.81	338.34	8.61	-65.20
C[N@@H+]1CCC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C(C)(C)C1	REAL300007507801	0	50	0.0	-75.43	366.51	8.95	-66.48
C[N@H+]1CCC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C(C)(C)C1	REAL300007507801	1	50	0.0	-75.43	366.51	8.95	-66.48
COC1=CC(C(=O)[O-])=NC(C(=O)NC2CC[N@H+](C)CC2(C)C)=C1	REAL300007507802	0	46	0.0	-57.46	352.44	5.98	-51.48
COC1=CC(C(=O)[O-])=NC(C(=O)NC2CC[N@@H+](C)CC2(C)C)=C1	REAL300007507802	1	46	0.0	-57.46	352.44	5.98	-51.48
C[N@@H+]1CCC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C)(C)C1	REAL300007507803	0	49	0.0	-75.51	368.16	9.97	-65.54
C[N@H+]1CCC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C)(C)C1	REAL300007507803	1	49	0.0	-75.51	368.16	9.97	-65.54
C[N@@H+]1CCC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C(C)(C)C1	REAL300007507804	0	47	0.0	-62.34	358.24	8.85	-53.49
C[N@H+]1CCC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C(C)(C)C1	REAL300007507804	1	47	0.0	-62.34	358.24	8.85	-53.49
CC1=C(C(=O)NC2CC[N@@H+](C)CC2(C)C)C=C(C(=O)[O-])S1	REAL300007507805	0	43	0.0	-67.79	335.12	7.94	-59.85
CC1=C(C(=O)NC2CC[N@H+](C)CC2(C)C)C=C(C(=O)[O-])S1	REAL300007507805	1	43	0.0	-67.79	335.12	7.94	-59.85
C[N@@H+]1CCC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C(C)(C)C1	REAL300007507806	0	43	0.0	-76.20	355.67	8.67	-67.53
C[N@H+]1CCC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C(C)(C)C1	REAL300007507806	1	43	0.0	-76.20	355.67	8.67	-67.53
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2CC[N@H+](C)CC2(C)C)=C1	REAL300007507807	0	47	0.0	-80.08	362.31	8.07	-72.01
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2CC[N@@H+](C)CC2(C)C)=C1	REAL300007507807	1	47	0.0	-80.08	362.31	8.07	-72.01
C[N@@H+]1CCC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C(C)(C)C1	REAL300007507808	0	46	0.0	-82.98	361.03	9.37	-73.61
C[N@H+]1CCC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C(C)(C)C1	REAL300007507808	1	46	0.0	-82.98	361.03	9.37	-73.61
C[N@@H+]1CCC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])C(C)(C)C1	REAL300007507809	0	48	0.0	-77.46	358.81	7.54	-69.92
C[N@H+]1CCC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])C(C)(C)C1	REAL300007507809	1	48	0.0	-77.46	358.81	7.54	-69.92
C[N@@H+]1CCC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C(C)(C)C1	REAL300007507810	0	47	0.0	-78.77	360.38	9.28	-69.49
C[N@H+]1CCC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C(C)(C)C1	REAL300007507810	1	47	0.0	-78.77	360.38	9.28	-69.49
C[N@@H+]1CCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C(C)(C)C1	REAL300007507811	0	44	0.0	-68.71	351.03	7.11	-61.60
C[N@H+]1CCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C(C)(C)C1	REAL300007507811	1	44	0.0	-68.71	351.03	7.11	-61.60
C[N@@H+]1CCC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C(C)(C)C1	REAL300007507812	0	44	0.0	-76.86	351.22	7.24	-69.62
C[N@H+]1CCC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C(C)(C)C1	REAL300007507812	1	44	0.0	-76.86	351.22	7.24	-69.62
C[N@@H+]1CCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C(C)(C)C1	REAL300007507813	0	44	0.0	-69.75	342.39	6.25	-63.50
C[N@H+]1CCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C(C)(C)C1	REAL300007507813	1	44	0.0	-69.75	342.39	6.25	-63.50
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1CC[N@@H+](C)CC1(C)C	REAL300007507814	0	46	0.0	-80.60	336.01	8.66	-71.94
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1CC[N@H+](C)CC1(C)C	REAL300007507814	1	46	0.0	-80.60	336.01	8.66	-71.94
C[N@@H+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C(C)(C)C1	REAL300007507815	0	46	0.0	-80.27	356.15	7.50	-72.77
C[N@H+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C(C)(C)C1	REAL300007507815	1	46	0.0	-80.27	356.15	7.50	-72.77
C[N@@H+]1CCC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C(C)(C)C1	REAL300007507816	0	48	0.0	-64.99	345.78	6.53	-58.46
C[N@H+]1CCC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C(C)(C)C1	REAL300007507816	1	48	0.0	-64.99	345.78	6.53	-58.46
C[N@@H+]1CCC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C(C)(C)C1	REAL300007507817	0	49	0.0	-81.37	361.86	10.17	-71.20
C[N@H+]1CCC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C(C)(C)C1	REAL300007507817	1	49	0.0	-81.37	361.86	10.17	-71.20
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1CC[N@@H+](C)CC1(C)C	REAL300007507818	0	49	0.0	-84.97	367.22	9.23	-75.74
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1CC[N@H+](C)CC1(C)C	REAL300007507818	1	49	0.0	-84.97	367.22	9.23	-75.74
C[N@@H+]1CCC(NC(=O)CC2=CC(C(=O)[O-])=CS2)C(C)(C)C1	REAL300007507819	0	43	0.0	-81.91	342.11	7.91	-74.00
C[N@H+]1CCC(NC(=O)CC2=CC(C(=O)[O-])=CS2)C(C)(C)C1	REAL300007507819	1	43	0.0	-81.91	342.11	7.91	-74.00
C[N@@H+]1CCC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C(C)(C)C1	REAL300007507820	0	46	0.0	-86.29	355.10	8.79	-77.50
C[N@H+]1CCC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C(C)(C)C1	REAL300007507820	1	46	0.0	-86.29	355.10	8.79	-77.50
C[N@@H+]1CCC(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C(C)(C)C1	REAL300007507821	0	50	0.0	-71.39	374.87	9.63	-61.76
C[N@H+]1CCC(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C(C)(C)C1	REAL300007507821	1	50	0.0	-71.39	374.87	9.63	-61.76
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300007507892	0	44	0.0	-81.95	348.51	8.14	-73.81
C[C@@H](C[NH+]1CCCC1)NC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007507893	0	52	0.0	-88.40	421.52	6.39	-82.01
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1	REAL300007507894	0	51	0.0	-83.06	413.21	10.77	-72.29
CC(SC1=CC=CC=C1C(=O)N[C@@H](C)C[NH+]1CCCC1)C(=O)[O-]	REAL300007507895	0	47	0.0	-82.17	369.49	9.50	-72.67
CCOC1=CC(C(=O)N[C@@H](C)C[NH+]2CCCC2)=CC=C1OCC(=O)[O-]	REAL300007507896	0	51	0.0	-80.42	398.99	8.69	-71.73
C[C@@H](C[NH+]1CCCC1)NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300007507897	0	46	0.0	-78.74	362.99	9.22	-69.52
C[C@@H](C[NH+]1CCCC1)NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300007507898	0	44	0.0	-78.93	351.45	8.93	-70.00
C[C@@H](C[NH+]1CCCC1)NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007507899	0	48	0.0	-78.11	396.15	4.24	-73.87
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300007507900	0	42	0.0	-76.80	345.18	8.40	-68.40
CC1=NN(C2=CC=C(C(=O)N[C@@H](C)C[NH+]3CCCC3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300007507901	0	59	0.0	-80.85	455.92	11.37	-69.48
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300007507902	0	42	0.0	-76.80	345.18	8.40	-68.40
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N[C@@H](C)C[NH+]2CCCC2)C=C1	REAL300007507903	0	50	0.0	-82.12	392.00	9.30	-72.82
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300007507904	0	47	0.0	-72.75	374.98	8.74	-64.01
C[C@@H](C[NH+]1CCCC1)NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300007507905	0	46	0.0	-69.93	354.55	9.06	-60.87
CC1=CC(C(=O)N[C@@H](C)C[NH+]2CCCC2)=CC(C)=C1OCC(=O)[O-]	REAL300007507906	0	50	0.0	-77.63	392.02	9.57	-68.06
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007507907	0	40	0.0	-77.38	338.30	8.34	-69.04
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300007507908	0	50	0.0	-63.17	382.97	11.11	-52.06
C[C@@H](C[NH+]1CCCC1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300007507909	0	50	0.0	-77.24	360.91	8.74	-68.50
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300007507910	0	42	0.0	-71.60	338.79	7.04	-64.56
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300007507911	0	47	0.0	-78.25	369.58	8.55	-69.70
C[C@@H](C[NH+]1CCCC1)NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300007507912	0	53	0.0	-73.41	396.08	10.65	-62.76
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007507913	0	44	0.0	-74.74	348.02	8.03	-66.71
C[C@@H](C[NH+]1CCCC1)NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300007507914	0	49	0.0	-87.58	385.23	8.30	-79.28
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300007507915	0	44	0.0	-76.66	349.00	9.02	-67.64
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300007507916	0	46	0.0	-78.13	351.62	9.24	-68.89
C[C@@H](C[NH+]1CCCC1)NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300007507917	0	43	0.0	-79.86	349.70	3.48	-76.38
C[C@@H](C[NH+]1CCCC1)NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300007507918	0	46	0.0	-95.02	366.61	7.27	-87.75
C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300007507919	0	48	0.0	-46.92	335.39	8.88	-38.04
C[C@@H](C[NH+]1CCCC1)NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300007507920	0	47	0.0	-51.79	359.43	9.89	-41.90
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300007507921	0	47	0.0	-78.25	369.58	8.55	-69.70
C[C@@H](C[NH+]1CCCC1)NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300007507922	0	47	0.0	-97.76	374.95	9.86	-87.90
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300007507923	0	40	0.0	-73.96	329.40	8.24	-65.72
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@@H](C)C[NH+]2CCCC2)=C1	REAL300007507924	0	43	0.0	-53.68	345.28	5.44	-48.24
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300007507925	0	46	0.0	-73.90	360.51	9.32	-64.58
C[C@@H](C[NH+]1CCCC1)NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300007507926	0	44	0.0	-75.19	351.00	8.24	-66.95
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007507927	0	40	0.0	-75.77	346.73	8.32	-67.45
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@@H](C)C[NH+]2CCCC2)=C1	REAL300007507928	0	44	0.0	-77.58	354.63	7.41	-70.17
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N[C@@H](C)C[NH+]1CCCC1	REAL300007507929	0	43	0.0	-65.47	340.97	8.03	-57.44
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300007507930	0	43	0.0	-81.86	352.09	9.00	-72.86
C[C@@H](C[NH+]1CCCC1)NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300007507931	0	45	0.0	-76.37	350.53	7.19	-69.18
C[C@@H](C[NH+]1CCCC1)NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300007507932	0	44	0.0	-78.96	351.44	8.93	-70.03
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300007507933	0	41	0.0	-61.59	342.60	6.87	-54.72
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300007507934	0	41	0.0	-76.25	342.78	7.00	-69.25
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300007507935	0	41	0.0	-64.21	333.45	5.89	-58.32
C[C@@H](C[NH+]1CCCC1)NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300007507936	0	43	0.0	-79.74	347.73	7.27	-72.47
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007507937	0	46	0.0	-83.15	352.93	9.81	-73.34
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N[C@@H](C)C[NH+]1CCCC1	REAL300007507938	0	46	0.0	-88.85	358.80	8.99	-79.86
C[C@@H](C[NH+]1CCCC1)NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300007507939	0	43	0.0	-90.45	346.14	8.43	-82.02
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300007507940	0	47	0.0	-65.49	365.93	9.26	-56.23
C[C@@H](C[NH+]1CCCC1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300007507941	0	50	0.0	-77.24	360.91	8.74	-68.50
COC1=CC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C3(CC3)CC2=C1	REAL300007508011	0	52	0.0	-49.57	389.40	10.14	-39.43
COC1=CC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C3(CC3)CC2=C1	REAL300007508011	1	52	0.0	-50.79	390.63	10.18	-40.61
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NN=NN1C1=CC=CC=C1	REAL300007508122	0	48	0.0	-52.25	374.30	6.76	-45.49
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NN=NN1C1=CC=CC=C1	REAL300007508122	1	48	0.0	-49.85	373.64	7.18	-42.67
COC1=CC([C@@H]2C[C@H]2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(OC)C=C1C	REAL300007508240	0	55	0.0	-50.87	421.57	8.22	-42.65
COC1=CC([C@@H]2C[C@H]2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(OC)C=C1C	REAL300007508240	1	55	0.0	-51.95	422.74	8.25	-43.70
COC12CCCC(CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C1)C2	REAL300007508362	0	54	0.0	-45.93	372.59	6.83	-39.10
COC12CCCC(CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C1)C2	REAL300007508362	1	54	0.0	-48.79	370.13	7.12	-41.67
CC1=CC=C([C@H]2C[C@H](C)CCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300007508476	0	53	0.0	-46.98	391.59	10.73	-36.25
CC1=CC=C([C@H]2C[C@H](C)CCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300007508476	1	53	0.0	-49.02	385.28	10.74	-38.28
CCN(CCCN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300007508597	0	57	0.0	-48.19	429.87	11.87	-36.32
CCN(CCCN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300007508597	1	57	0.0	-49.33	425.73	11.75	-37.58
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1COC2(C1)CCCCC2	REAL300007508716	0	51	0.0	-49.86	364.58	7.30	-42.56
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1COC2(C1)CCCCC2	REAL300007508716	1	51	0.0	-48.85	371.75	7.29	-41.56
CC1C2=CC(F)=CC=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007508823	0	47	0.0	-51.13	358.41	10.42	-40.71
CC1C2=CC(F)=CC=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007508823	1	47	0.0	-46.93	350.96	9.98	-36.95
CCC1=CC=C([C@@H]2C[C@@H](C)CCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300007508930	0	56	0.0	-47.29	413.06	11.51	-35.78
CCC1=CC=C([C@@H]2C[C@@H](C)CCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300007508930	1	56	0.0	-47.56	413.41	11.54	-36.02
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300007510051	0	54	0.0	-78.61	411.86	10.30	-68.31
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300007511376	0	48	0.0	-77.10	358.22	7.79	-69.31
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C1	REAL300007511401	1	46	0.0	-64.79	354.92	7.89	-56.90
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C1	REAL300007511462	1	53	0.0	-78.43	419.28	8.06	-70.37
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300007511463	1	49	0.0	-72.35	358.12	4.96	-67.39
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300007511533	0	57	0.0	-85.00	445.78	10.20	-74.80
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300007511538	0	57	0.0	-80.59	442.58	12.07	-68.52
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300007511538	1	57	0.0	-79.99	441.09	12.56	-67.43
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300007511590	0	39	0.0	-74.36	326.39	8.93	-65.43
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300007511615	0	53	0.0	-77.23	362.37	8.98	-68.25
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300007511618	0	53	0.0	-70.99	389.41	9.32	-61.67
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300007511618	1	53	0.0	-71.60	389.41	9.33	-62.27
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300007511679	0	47	0.0	-60.07	370.87	7.10	-52.97
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300007511695	0	55	0.0	-57.11	389.79	6.93	-50.18
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCN2C=C[NH+]=C2C)C1	REAL300007511723	1	45	0.0	-71.34	361.96	8.62	-62.72
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300007511724	1	51	0.0	-76.72	388.48	7.40	-69.32
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C[N@H+](CC)C(C)C)C=C2)C1	REAL300007511725	0	56	0.0	-57.20	399.38	9.29	-47.91
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C[N@@H+](CC)C(C)C)C=C2)C1	REAL300007511725	1	56	0.0	-54.27	404.81	9.40	-44.87
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007511743	0	51	0.0	-70.36	391.83	9.70	-60.66
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007511743	1	51	0.0	-70.41	390.47	9.74	-60.67
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300007511744	0	52	0.0	-84.56	392.57	8.81	-75.75
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300007511772	0	55	0.0	-72.51	388.66	7.16	-65.35
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C(CC)[NH+](CC)CC)C1	REAL300007511776	0	49	0.0	-54.21	356.43	7.66	-46.55
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300007511778	0	50	0.0	-63.40	385.43	9.18	-54.22
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300007511778	1	50	0.0	-63.01	386.37	9.08	-53.93
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300007511786	0	57	0.0	-63.62	425.58	11.60	-52.02
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300007511786	1	57	0.0	-61.79	425.67	11.14	-50.65
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300007511802	0	46	0.0	-57.24	360.27	6.09	-51.15
CCC[NH+](CCC)CCCC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-]	REAL300007511809	0	55	0.0	-70.64	412.80	10.00	-60.64
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CN2C=C[NH+]=C2C(C)C)C1	REAL300007511817	1	45	0.0	-58.04	354.36	8.43	-49.61
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300007511830	0	51	0.0	-58.25	388.96	9.13	-49.12
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300007511835	0	54	0.0	-75.60	407.44	10.34	-65.26
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)C1	REAL300007511841	0	62	0.0	-77.19	441.92	8.15	-69.04
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C1	REAL300007511848	1	58	0.0	-89.47	432.97	9.88	-79.59
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007511859	1	55	0.0	-84.72	418.58	10.06	-74.66
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007511859	1	55	0.0	-82.57	417.82	10.09	-72.48
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C1	REAL300007511875	1	45	0.0	-80.99	361.75	7.31	-73.68
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300007511878	0	54	0.0	-58.05	406.26	9.89	-48.16
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300007511889	1	47	0.0	-81.81	372.57	8.13	-73.68
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300007511890	0	50	0.0	-90.54	386.90	9.81	-80.73
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C)[NH+]=C2NC)C1	REAL300007511895	1	43	0.0	-59.46	339.33	6.21	-53.25
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007511896	1	52	0.0	-75.50	394.51	8.91	-66.59
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300007511896	1	52	0.0	-81.66	399.77	9.33	-72.33
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C1	REAL300007511906	0	60	0.0	-59.85	448.68	11.55	-48.30
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C(C)[NH+]2CCSCC2)C1	REAL300007511935	1	45	0.0	-61.38	349.64	7.14	-54.24
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300007511941	0	49	0.0	-61.17	361.08	8.07	-53.10
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300007511941	1	49	0.0	-62.52	361.40	7.86	-54.66
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300007511943	0	50	0.0	-65.37	390.88	9.81	-55.56
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300007511943	1	50	0.0	-63.62	390.43	9.94	-53.68
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC[N@H+](C)CCOCCOC)C1	REAL300007511944	0	54	0.0	-71.55	419.18	6.34	-65.21
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC[N@@H+](C)CCOCCOC)C1	REAL300007511944	1	54	0.0	-71.15	419.13	6.36	-64.79
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300007511947	0	48	0.0	-62.16	362.31	5.74	-56.42
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300007511947	1	48	0.0	-59.55	350.47	5.59	-53.96
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300007511954	0	59	0.0	-75.34	444.50	9.95	-65.39
CCCCCC[N@H+](C)CC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-]	REAL300007511956	0	52	0.0	-63.64	394.74	9.39	-54.25
CCCCCC[N@@H+](C)CC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-]	REAL300007511956	1	52	0.0	-63.73	394.74	9.39	-54.34
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300007511966	1	39	0.0	-51.25	316.24	8.04	-43.21
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300007511982	0	45	0.0	-63.98	349.55	7.96	-56.02
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300007511982	1	45	0.0	-64.95	350.50	7.87	-57.08
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCN2CC[NH+](C(C)C)CC2)C1	REAL300007511996	0	55	0.0	-72.91	406.72	6.77	-66.14
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC[NH+]2CCN(C(C)C)CC2)C1	REAL300007511996	1	55	0.0	-69.71	402.86	6.70	-63.01
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCN2CC[NH+](C(C)C)CC2)C1	REAL300007511997	0	58	0.0	-77.40	423.90	7.46	-69.94
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C1	REAL300007511997	1	58	0.0	-71.33	423.91	7.61	-63.72
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300007511998	0	48	0.0	-65.09	344.36	7.29	-57.80
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300007511998	1	48	0.0	-57.94	357.73	7.94	-50.00
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300007512000	0	47	0.0	-81.94	369.01	7.01	-74.93
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)C1	REAL300007512003	0	59	0.0	-73.82	445.21	9.73	-64.09
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300007512005	0	56	0.0	-73.72	423.81	9.07	-64.65
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300007512007	0	53	0.0	-64.36	396.92	8.68	-55.68
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300007512007	1	53	0.0	-66.92	397.94	8.42	-58.50
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300007512012	1	51	0.0	-62.49	382.29	9.67	-52.82
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300007512012	1	51	0.0	-60.90	382.74	9.27	-51.63
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007512035	0	54	0.0	-74.66	413.34	10.90	-63.76
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007512035	1	54	0.0	-76.02	415.04	10.99	-65.03
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C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C=N1	REAL300007521181	0	50	0.0	-75.29	363.34	8.56	-66.73
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521184	0	59	0.0	-74.04	416.01	11.27	-62.77
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521193	1	49	0.0	-66.11	356.07	9.68	-56.43
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C12CCSCC2	REAL300007521205	0	55	0.0	-77.29	391.48	11.18	-66.11
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007521211	0	48	0.0	-66.63	340.93	8.78	-57.85
C[NH+](C)CCCCC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521218	0	50	0.0	-74.50	359.14	9.19	-65.31
CC1=C(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C=NN1C1=CC=[NH+]C=C1	REAL300007521235	1	49	0.0	-78.56	363.78	8.55	-70.01
O=C([O-])C1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C12CCSCC2	REAL300007521247	1	51	0.0	-77.08	374.98	9.43	-67.65
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C=C1	REAL300007521248	0	54	0.0	-79.13	390.05	10.93	-68.20
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521253	1	47	0.0	-63.63	340.76	7.73	-55.90
CCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521260	0	47	0.0	-74.15	331.86	8.42	-65.73
CCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521260	1	47	0.0	-74.24	331.82	8.43	-65.81
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCSCC2)C1CCC1	REAL300007521274	0	48	0.0	-71.57	338.91	8.99	-62.58
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCSCC2)C1CCC1	REAL300007521274	1	48	0.0	-71.37	338.60	8.99	-62.38
CC(C(=O)N1CCC(C(=O)[O-])C12CCSCC2)[NH+]1CCSCC1	REAL300007521294	1	49	0.0	-72.73	343.50	8.71	-64.02
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCSCC2)CC(C)(C)C	REAL300007521297	0	53	0.0	-73.66	360.92	9.46	-64.20
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCSCC2)CC(C)(C)C	REAL300007521297	1	53	0.0	-73.02	362.65	9.59	-63.43
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521299	0	54	0.0	-78.02	391.72	11.44	-66.58
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521299	1	54	0.0	-78.00	391.76	11.45	-66.55
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521300	0	58	0.0	-76.26	421.69	7.69	-68.57
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521300	1	58	0.0	-76.71	421.87	7.70	-69.01
CC[C@@H](C(=O)N1CCC(C(=O)[O-])C12CCSCC2)[NH+](C)C	REAL300007521303	0	47	0.0	-72.28	317.90	8.05	-64.23
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007521305	0	52	0.0	-73.23	359.84	7.19	-66.04
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007521305	1	52	0.0	-74.08	350.09	7.02	-67.06
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521317	0	56	0.0	-75.46	396.35	10.77	-64.69
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521317	1	56	0.0	-75.51	396.31	10.78	-64.73
O=C([O-])C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C12CCSCC2	REAL300007521331	1	43	0.0	-77.04	319.16	10.11	-66.93
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCSCC2)C1CCSC1	REAL300007521339	0	49	0.0	-77.21	352.21	9.25	-67.96
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCSCC2)C1CCSC1	REAL300007521339	1	49	0.0	-77.91	351.74	9.26	-68.65
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007521353	0	59	0.0	-72.39	408.82	8.23	-64.16
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007521354	0	62	0.0	-69.65	425.43	8.67	-60.98
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007521354	1	62	0.0	-74.91	426.94	8.83	-66.08
O=C([O-])C1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C12CCSCC2	REAL300007521355	0	52	0.0	-65.34	354.09	9.64	-55.70
O=C([O-])C1CCN(C(=O)C2CCCC3CCC[N@H+]32)C12CCSCC2	REAL300007521355	1	52	0.0	-67.01	342.90	9.15	-57.86
C[NH+](C)CCN1C=C(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C=N1	REAL300007521357	0	51	0.0	-78.21	372.62	8.15	-70.06
CC(C(=O)N1CCC(C(=O)[O-])C12CCSCC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007521365	0	55	0.0	-73.17	383.86	11.24	-61.93
CC(C(=O)N1CCC(C(=O)[O-])C12CCSCC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300007521365	1	55	0.0	-73.04	387.83	11.32	-61.72
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)=N1	REAL300007521392	0	51	0.0	-80.42	375.20	8.80	-71.62
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521393	0	51	0.0	-65.05	367.41	8.17	-56.88
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC[N@@H+]1C	REAL300007521395	0	48	0.0	-78.08	323.21	8.42	-69.66
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC[N@H+]1C	REAL300007521395	1	48	0.0	-73.38	327.81	8.74	-64.64
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521396	1	52	0.0	-67.53	378.96	10.27	-57.26
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC[N@@H+]1C	REAL300007521399	0	51	0.0	-76.81	344.68	8.54	-68.27
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC[N@H+]1C	REAL300007521399	1	51	0.0	-73.46	349.62	8.93	-64.53
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)=NN1	REAL300007521401	1	52	0.0	-77.82	376.20	8.32	-69.50
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)=NN1	REAL300007521401	1	52	0.0	-76.98	376.68	8.31	-68.67
CC1C[N@H+](C)CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)O1	REAL300007521406	1	49	0.0	-83.90	340.28	7.21	-76.69
CC1C[N@@H+](C)CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)O1	REAL300007521406	1	49	0.0	-78.28	348.25	7.68	-70.60
O=C([O-])C1CCN(C(=O)C[NH+]2CCCC2)C12CCSCC2	REAL300007521412	0	45	0.0	-72.04	318.74	8.18	-63.86
CC1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521414	1	43	0.0	-66.94	322.14	8.61	-58.33
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521416	1	52	0.0	-75.77	361.22	7.52	-68.25
CC1CC[NH+](CC(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007521435	0	51	0.0	-74.12	355.09	9.50	-64.62
CC[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007521446	1	49	0.0	-75.05	345.08	7.59	-67.46
CC[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007521446	1	49	0.0	-66.53	334.52	7.58	-58.95
O=C([O-])C1CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C12CCSCC2	REAL300007521475	0	58	0.0	-74.93	397.07	10.82	-64.11
O=C([O-])C1CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C12CCSCC2	REAL300007521475	1	58	0.0	-72.56	395.78	10.86	-61.70
C[N@@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521481	0	51	0.0	-75.52	357.13	9.42	-66.10
C[N@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521481	1	51	0.0	-72.71	355.39	9.09	-63.62
O=C([O-])C1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C12CCSCC2	REAL300007521492	0	52	0.0	-66.89	350.37	9.42	-57.47
O=C([O-])C1CCN(C(=O)C2CCC3CCCC[N@H+]32)C12CCSCC2	REAL300007521492	1	52	0.0	-66.61	358.87	9.78	-56.83
CC[NH+](CC)CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521511	0	47	0.0	-71.26	324.00	8.09	-63.17
CC(C)[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007521513	0	54	0.0	-73.48	364.74	9.43	-64.05
O=C([O-])C1CCN(C(=O)C23CC[NH+](CC2)C3)C12CCSCC2	REAL300007521579	0	46	0.0	-75.64	318.07	7.25	-68.39
CCC(C(=O)N1CCC(C(=O)[O-])C12CCSCC2)[NH+](C)C	REAL300007521582	0	47	0.0	-69.11	316.32	7.88	-61.23
O=C([O-])C1CCN(C(=O)C23CC[N@H+](C2)CCC3)C12CCSCC2	REAL300007521589	0	49	0.0	-78.56	326.02	7.83	-70.73
O=C([O-])C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C12CCSCC2	REAL300007521589	1	49	0.0	-74.15	326.27	7.84	-66.31
CC1CCC(C)[NH+]1CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521624	0	51	0.0	-69.02	348.61	9.04	-59.98
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)=C1	REAL300007521625	0	51	0.0	-74.80	367.27	10.07	-64.73
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007521672	0	50	0.0	-78.39	359.24	9.68	-68.71
CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007521674	0	56	0.0	-73.92	392.08	7.71	-66.21
CCN1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007521674	1	56	0.0	-75.63	391.89	7.68	-67.95
CC(C)[N@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521675	0	47	0.0	-71.21	327.05	8.21	-63.00
CC(C)[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521675	1	47	0.0	-70.93	327.01	8.20	-62.73
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521680	1	52	0.0	-67.61	379.14	10.22	-57.39
CC[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCSCC2)C1CC1	REAL300007521687	0	48	0.0	-69.15	341.08	9.04	-60.11
CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCSCC2)C1CC1	REAL300007521687	1	48	0.0	-70.20	339.94	9.07	-61.13
CC(C(=O)N1CCC(C(=O)[O-])C12CCSCC2)[NH+]1CCCCCC1	REAL300007521710	0	54	0.0	-67.84	358.89	9.41	-58.43
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521713	0	45	0.0	-69.51	317.28	7.89	-61.62
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521713	1	45	0.0	-69.73	307.91	7.55	-62.18
CC(C)(C)[NH2+]CC(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521777	0	47	0.0	-71.82	332.73	6.74	-65.08
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)O1	REAL300007521779	0	54	0.0	-72.04	390.50	10.29	-61.75
O=C([O-])C1CCN(C(=O)CCCC[NH+]2CCCC2)C12CCSCC2	REAL300007521780	0	54	0.0	-73.35	383.50	10.26	-63.09
C[N@H+](CC(=O)N1CCC(C(=O)[O-])C12CCSCC2)CC1=CC=CC=C1	REAL300007521782	1	51	0.0	-78.69	369.37	10.60	-68.09
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])C12CCSCC2)CC1=CC=CC=C1	REAL300007521782	1	51	0.0	-78.20	369.20	10.60	-67.60
O=C([O-])C1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C12CCSCC2	REAL300007521806	1	46	0.0	-77.51	347.58	8.11	-69.40
C[NH+](C)CC1=CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)=NO1	REAL300007521825	1	47	0.0	-78.46	348.58	8.22	-70.24
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521838	0	51	0.0	-70.53	334.90	9.19	-61.34
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])C12CCSCC2	REAL300007521838	1	51	0.0	-67.97	345.18	8.97	-59.00
C[NH+]1CCC(OCC(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007521854	0	52	0.0	-76.07	373.74	8.80	-67.27
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C12CCSCC2	REAL300007521858	0	55	0.0	-74.53	395.58	10.68	-63.85
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007521991	0	54	0.0	-67.62	364.24	10.08	-57.54
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007521991	1	54	0.0	-72.94	372.75	9.75	-63.19
O=C([O-])C1CCN(C(=O)C[NH+]2CCC(CO)CC2)C12CCSCC2	REAL300007522013	0	52	0.0	-77.27	366.00	6.20	-71.07
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007522174	0	54	0.0	-65.87	359.67	9.88	-55.99
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007522174	1	54	0.0	-71.18	367.83	9.54	-61.64
C[N@@H+]1CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C(C(F)(F)F)C1	REAL300007522175	0	48	0.0	-81.81	333.93	8.30	-73.51
C[N@H+]1CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C(C(F)(F)F)C1	REAL300007522175	1	48	0.0	-82.43	346.24	8.38	-74.05
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(=O)[O-])C23CCSCC3)N1	REAL300007522196	1	49	0.0	-68.85	363.87	8.35	-60.50
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)=C1	REAL300007522555	0	54	0.0	-74.44	389.78	10.91	-63.53
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C=C1	REAL300007522561	0	55	0.0	-76.61	396.49	9.90	-66.71
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007522673	0	48	0.0	-72.16	342.81	8.75	-63.41
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)[O-])C23CCSCC3)CC1	REAL300007522677	0	54	0.0	-65.54	357.91	9.49	-56.05
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C(=O)[O-])C34CCSCC4)=CN21	REAL300007522681	0	46	0.0	-68.37	340.41	9.88	-58.49
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007522730	0	57	0.0	-73.37	392.28	10.56	-62.81
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007522730	1	57	0.0	-72.27	390.05	10.46	-61.81
CC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007522731	0	51	0.0	-73.05	351.87	9.08	-63.97
CC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007522731	1	51	0.0	-73.14	351.82	9.10	-64.04
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C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C1	REAL300007522736	1	48	0.0	-68.36	324.93	8.55	-59.81
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C[C@@H]1C[N@H+](C2CCN(C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)CC2)C[C@H](C)O1	REAL300007523907	0	58	0.0	-63.15	422.55	10.59	-52.56
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)CC2)C[C@H](C)O1	REAL300007523907	1	58	0.0	-74.08	421.25	10.81	-63.27
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2)C[C@H](C)O1	REAL300007523908	0	58	0.0	-88.40	433.32	10.06	-78.34
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C[C@@H]1C[N@@H+](C2CCN(C(=O)CN3C=C(C(=O)[O-])C4=CC=CC=C43)CC2)C[C@H](C)O1	REAL300007523909	1	58	0.0	-100.41	432.25	11.37	-89.04
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C[C@@H]1C[N@@H+](C2CCN(C(=O)C3CC(C)(C(=O)[O-])C3)CC2)C[C@H](C)O1	REAL300007523914	1	54	0.0	-76.22	378.72	8.52	-67.70
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=C(C(=O)[O-])SC=C3)CC2)C[C@H](C)O1	REAL300007523915	0	48	0.0	-76.78	370.47	8.86	-67.92
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C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3Cl)CC2)C[C@H](C)O1	REAL300007523920	1	51	0.0	-75.28	387.40	9.40	-65.88
C[C@@H]1C[N@H+](C2CCN(C(=O)C3CC4(CC(C(=O)[O-])C4)C3)CC2)C[C@H](C)O1	REAL300007523921	0	58	0.0	-80.44	421.65	10.09	-70.35
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COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)=C1	REAL300007523922	0	54	0.0	-58.99	406.55	7.26	-51.73
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)=C1	REAL300007523922	1	54	0.0	-58.82	400.22	7.29	-51.53
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=CC=C(C(=O)[O-])N3C)CC2)C[C@H](C)O1	REAL300007523923	0	52	0.0	-76.91	380.95	8.13	-68.78
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=CC=C(C(=O)[O-])N3C)CC2)C[C@H](C)O1	REAL300007523923	1	52	0.0	-78.27	374.45	8.16	-70.11
C[C@@H]1C[N@H+](C2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)C[C@H](C)O1	REAL300007523924	0	52	0.0	-64.82	368.85	8.20	-56.62
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)C[C@H](C)O1	REAL300007523924	1	52	0.0	-56.38	360.12	8.17	-48.21
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)CC2)C[C@H](C)O1	REAL300007523925	0	57	0.0	-74.19	425.20	10.53	-63.66
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)CC2)C[C@H](C)O1	REAL300007523925	1	57	0.0	-76.45	418.56	10.52	-65.93
CC1=NNC(C(=O)N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)=C1C(=O)[O-]	REAL300007523926	0	51	0.0	-67.68	383.16	5.82	-61.86
CC1=NNC(C(=O)N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)=C1C(=O)[O-]	REAL300007523926	1	51	0.0	-80.43	370.65	7.03	-73.40
CC1=C(C(=O)[O-])C(C(=O)N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)=NN1	REAL300007523926	1	51	0.0	-81.92	375.87	7.40	-74.52
CC1=C(C(=O)[O-])C(C(=O)N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)=NN1	REAL300007523926	1	51	0.0	-82.66	369.60	7.45	-75.21
C[C@@H]1C[N@H+](C2CCN(C(=O)CC3(CC(=O)[O-])CC3)CC2)C[C@H](C)O1	REAL300007523927	0	54	0.0	-65.30	393.63	9.00	-56.30
C[C@@H]1C[N@@H+](C2CCN(C(=O)CC3(CC(=O)[O-])CC3)CC2)C[C@H](C)O1	REAL300007523927	1	54	0.0	-73.60	388.72	9.05	-64.55
C[C@@H]1C[N@H+](C2CCN(C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)CC2)C[C@H](C)O1	REAL300007523928	0	55	0.0	-78.89	416.37	9.76	-69.13
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)CC2)C[C@H](C)O1	REAL300007523928	1	55	0.0	-85.31	403.02	10.40	-74.91
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=CSC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300007523929	0	47	0.0	-56.31	367.54	6.87	-49.44
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=CSC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300007523929	1	47	0.0	-58.06	361.68	6.92	-51.14
COC(C(=O)[O-])C(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300007523930	0	48	0.0	-67.65	353.80	6.64	-61.01
COC(C(=O)[O-])C(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300007523930	1	48	0.0	-66.90	346.75	6.65	-60.25
C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@]3(C)C[C@H]3C(=O)[O-])CC2)C[C@H](C)O1	REAL300007523931	0	51	0.0	-87.18	373.45	8.09	-79.09
C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@]3(C)C[C@H]3C(=O)[O-])CC2)C[C@H](C)O1	REAL300007523931	1	51	0.0	-65.43	363.85	7.98	-57.45
CC1=C(C(=O)N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C=C(C(=O)[O-])S1	REAL300007523932	0	51	0.0	-69.36	392.12	8.76	-60.60
CC1=C(C(=O)N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C=C(C(=O)[O-])S1	REAL300007523932	1	51	0.0	-69.72	387.06	8.85	-60.87
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300007523933	0	54	0.0	-68.11	409.64	9.65	-58.46
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300007523933	1	54	0.0	-71.78	403.42	9.67	-62.11
C[C@@H]1C[N@H+](C2CCN(C(=O)CCC3=CC=CN=C3C(=O)[O-])CC2)C[C@H](C)O1	REAL300007523934	0	56	0.0	-74.73	414.74	8.72	-66.01
C[C@@H]1C[N@@H+](C2CCN(C(=O)CCC3=CC=CN=C3C(=O)[O-])CC2)C[C@H](C)O1	REAL300007523934	1	56	0.0	-80.90	407.80	8.76	-72.14
C[C@@H]1C[N@H+](C2CCN(C(=O)C34CC(C(=O)[O-])(C3)CO4)CC2)C[C@H](C)O1	REAL300007523935	0	53	0.0	-71.55	388.90	7.11	-64.44
C[C@@H]1C[N@@H+](C2CCN(C(=O)C34CC(C(=O)[O-])(C3)CO4)CC2)C[C@H](C)O1	REAL300007523935	1	53	0.0	-71.94	382.72	7.13	-64.81
C[C@@H]1C[N@H+](C2CCN(C(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)CC2)C[C@H](C)O1	REAL300007523936	0	55	0.0	-81.60	414.55	10.42	-71.18
C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)CC2)C[C@H](C)O1	REAL300007523936	1	55	0.0	-82.15	408.31	10.48	-71.67
CC1CC1(C(=O)[O-])C(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300007523937	0	51	0.0	-60.40	370.29	7.88	-52.52
CC1CC1(C(=O)[O-])C(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300007523937	1	51	0.0	-63.73	361.67	8.06	-55.67
C[C@@H]1C[N@H+](C2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)C[C@H](C)O1	REAL300007523938	0	58	0.0	-62.79	407.97	9.49	-53.30
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)C[C@H](C)O1	REAL300007523938	1	58	0.0	-59.08	399.87	9.55	-49.53
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=C(C(=O)[O-])C=NN3C)CC2)C[C@H](C)O1	REAL300007523939	0	51	0.0	-71.59	388.17	6.59	-65.00
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=C(C(=O)[O-])C=NN3C)CC2)C[C@H](C)O1	REAL300007523939	1	51	0.0	-74.04	381.51	6.60	-67.44
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)CC2)C[C@H](C)O1	REAL300007523940	0	52	0.0	-67.05	403.30	8.47	-58.58
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)CC2)C[C@H](C)O1	REAL300007523940	1	52	0.0	-66.93	396.92	8.49	-58.44
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)CC2)C[C@H](C)O1	REAL300007523941	0	52	0.0	-78.49	403.45	8.58	-69.91
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)CC2)C[C@H](C)O1	REAL300007523941	1	52	0.0	-79.29	397.14	8.62	-70.67
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)CC2)C[C@H](C)O1	REAL300007523942	0	52	0.0	-68.81	394.59	7.58	-61.23
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)CC2)C[C@H](C)O1	REAL300007523942	1	52	0.0	-68.77	388.29	7.65	-61.12
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300007523943	0	54	0.0	-79.23	393.71	9.44	-69.79
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C[C@@H]1C[N@@H+](C2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)CC2)C[C@H](C)O1	REAL300007523944	1	54	0.0	-82.69	404.09	8.70	-73.99
C=C1CCC1(C(=O)[O-])C(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300007523945	0	52	0.0	-65.25	371.75	8.02	-57.23
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CC1C[N@@H+](CC2=CC=C(C(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2)CCO1	REAL300007527548	1	51	0.0	-81.54	391.98	8.31	-73.23
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(CO)CCCC3CC32)C1	REAL300007527636	0	48	0.0	-45.91	347.68	5.15	-40.76
O=C([O-])C1CCC[N@H+](CC(=O)NC2(CO)CCCC3CC32)C1	REAL300007527636	1	48	0.0	-46.07	340.79	5.44	-40.63
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC(Br)=C(F)C=C3C2)C1	REAL300007527726	0	44	0.0	-53.34	360.14	10.34	-43.00
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC(Br)=C(F)C=C3C2)C1	REAL300007527726	1	44	0.0	-52.19	360.23	10.30	-41.89
CC(C)(C)OCC1CCCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300007527824	0	56	0.0	-44.82	389.82	10.24	-34.58
CC(C)(C)OCC1CCCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300007527824	1	56	0.0	-45.46	390.44	10.25	-35.21
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300007528903	0	54	0.0	-89.58	412.47	12.78	-76.80
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300007529465	0	51	0.0	-80.05	397.67	12.40	-67.65
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300007529465	1	51	0.0	-76.89	396.39	12.36	-64.53
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300007530305	0	48	0.0	-85.16	361.14	10.48	-74.68
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300007530330	0	45	0.0	-74.90	347.63	9.84	-65.06
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300007530330	1	45	0.0	-74.17	345.43	10.06	-64.11
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=C(C=C(F)C=C4C(=O)[O-])C3)CN12	REAL300007530336	1	46	0.0	-74.58	359.61	10.29	-64.29
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300007530337	0	54	0.0	-73.87	405.98	12.25	-61.62
C[N@@H+]1CCCCC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530417	0	44	0.0	-81.47	327.94	9.09	-72.38
C[N@H+]1CCCCC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530417	1	44	0.0	-76.50	336.39	9.44	-67.06
CC(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300007530418	1	49	0.0	-78.31	365.84	7.57	-70.74
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530458	0	44	0.0	-72.54	336.53	9.48	-63.06
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530458	1	44	0.0	-75.68	325.18	8.97	-66.71
C[NH+]1CCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007530545	0	44	0.0	-87.96	336.29	9.28	-78.68
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300007530575	0	39	0.0	-83.82	330.94	11.24	-72.58
C[NH+](C)CC1(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CCCCC1	REAL300007530609	0	53	0.0	-90.05	370.00	11.31	-78.74
C[N@H+](CCC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1CCCCC1	REAL300007530614	0	53	0.0	-83.44	394.63	11.56	-71.88
C[N@@H+](CCC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1CCCCC1	REAL300007530614	1	53	0.0	-83.98	394.66	11.52	-72.46
C[N@@H+]1CCCC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530631	0	41	0.0	-75.83	319.29	8.77	-67.06
C[N@H+]1CCCC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530631	1	41	0.0	-74.00	314.74	8.40	-65.60
C[NH+]1CCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007530687	0	44	0.0	-87.96	336.29	9.28	-78.68
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300007530691	0	47	0.0	-83.18	384.42	10.16	-73.02
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300007530711	0	54	0.0	-77.04	389.36	12.12	-64.92
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300007530711	1	54	0.0	-76.72	388.98	11.61	-65.11
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300007530712	0	55	0.0	-88.77	403.52	9.85	-78.92
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530748	1	45	0.0	-78.77	367.19	10.84	-67.93
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCCC[NH+]1CCOCC1)C2	REAL300007530749	1	51	0.0	-84.95	394.47	9.52	-75.43
CC[N@H+](CC1=CC=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C=C1)C(C)C	REAL300007530752	0	56	0.0	-85.40	417.51	12.46	-72.94
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C=C1)C(C)C	REAL300007530752	1	56	0.0	-86.14	412.01	12.19	-73.95
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530755	0	41	0.0	-79.61	314.32	8.43	-71.18
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530755	1	41	0.0	-77.15	318.69	8.74	-68.41
C[NH+](C)C1(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007530764	0	41	0.0	-77.62	318.76	8.28	-69.34
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007530810	0	51	0.0	-82.91	399.92	12.30	-70.61
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007530810	1	51	0.0	-81.53	397.41	12.22	-69.31
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300007530811	0	52	0.0	-93.51	395.59	11.51	-82.00
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2	REAL300007530835	0	55	0.0	-81.99	393.00	9.80	-72.19
CCC(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+](CC)CC	REAL300007530839	0	49	0.0	-71.82	358.44	10.09	-61.73
CC(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300007530841	0	50	0.0	-78.71	388.90	11.84	-66.87
CC(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007530841	1	50	0.0	-81.34	389.36	11.82	-69.52
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C=N1	REAL300007530874	0	46	0.0	-83.91	367.25	9.06	-74.85
CCC[NH+](CCC)CCCC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530880	0	55	0.0	-81.84	414.31	11.87	-69.97
CC[N@H+](C)C(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1=CC=CC=C1	REAL300007530881	0	50	0.0	-70.86	384.64	11.82	-59.04
CC[N@@H+](C)C(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1=CC=CC=C1	REAL300007530881	1	50	0.0	-69.90	382.36	11.76	-58.14
C[N@@H+]1CCOC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007530883	1	42	0.0	-96.00	328.95	8.14	-87.86
C[N@H+]1CCOC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007530883	1	42	0.0	-87.03	330.22	8.17	-78.86
CC[NH+](CC)C(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1=CC=CC=C1	REAL300007530885	0	53	0.0	-79.35	391.38	12.15	-67.20
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530894	1	45	0.0	-74.59	361.89	10.63	-63.96
C[NH+](C)C(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300007530899	1	47	0.0	-81.80	381.89	11.65	-70.15
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300007530912	0	51	0.0	-88.13	397.33	12.15	-75.98
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300007530919	0	54	0.0	-80.49	413.77	12.89	-67.60
C[NH+](C)CC1(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007530923	0	44	0.0	-72.03	344.94	9.47	-62.56
C[NH+](C)CCCCC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530932	0	46	0.0	-83.20	361.62	10.07	-73.13
CC(C)C(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300007530941	0	46	0.0	-75.44	338.97	9.56	-65.88
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300007530954	0	54	0.0	-77.23	412.48	12.97	-64.26
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300007530954	1	54	0.0	-81.86	405.49	12.68	-69.18
CC1=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300007530956	1	45	0.0	-85.04	371.85	9.45	-75.59
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300007530964	0	54	0.0	-87.80	414.91	12.91	-74.89
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300007530977	1	47	0.0	-82.43	377.66	10.35	-72.08
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C=C1	REAL300007530978	0	50	0.0	-89.25	395.84	11.90	-77.35
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007530989	1	43	0.0	-72.65	347.35	8.52	-64.13
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300007530991	1	52	0.0	-97.07	405.64	11.68	-85.39
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300007530991	1	52	0.0	-91.86	398.76	11.51	-80.35
CCC[N@H+](C)CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531000	0	43	0.0	-80.47	335.45	9.29	-71.18
CCC[N@@H+](C)CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531000	1	43	0.0	-80.32	335.44	9.29	-71.03
C[N@H+](CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1CCC1	REAL300007531022	0	44	0.0	-77.95	342.36	9.87	-68.08
C[N@@H+](CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1CCC1	REAL300007531022	1	44	0.0	-77.46	342.48	9.87	-67.59
CC(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+]1CCSCC1	REAL300007531046	1	45	0.0	-80.90	353.04	9.76	-71.14
C[N@H+](CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)CC(C)(C)C	REAL300007531051	0	49	0.0	-80.35	364.41	10.28	-70.07
C[N@@H+](CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)CC(C)(C)C	REAL300007531051	1	49	0.0	-79.21	365.61	10.40	-68.81
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531053	0	50	0.0	-83.95	395.39	12.33	-71.62
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531053	1	50	0.0	-84.10	395.40	12.33	-71.77
COCCOCC[N@H+](C)CCC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531054	0	54	0.0	-82.67	424.49	8.57	-74.10
COCCOCC[N@@H+](C)CCC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531054	1	54	0.0	-85.02	424.43	8.57	-76.45
CC[C@@H](C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300007531058	0	43	0.0	-76.20	326.36	8.92	-67.28
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007531060	0	48	0.0	-80.05	363.68	8.34	-71.71
C[N@H+]1CCCC(O)(CC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007531060	1	48	0.0	-80.70	353.99	8.17	-72.53
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C2	REAL300007531081	1	53	0.0	-82.27	407.46	11.22	-71.05
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C2	REAL300007531081	1	53	0.0	-77.41	408.21	11.27	-66.14
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C2	REAL300007531082	1	53	0.0	-79.33	396.68	10.67	-68.66
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C2	REAL300007531082	1	53	0.0	-83.37	399.52	10.88	-72.49
CCCCCC[N@H+](C)CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531084	0	52	0.0	-81.83	399.98	11.63	-70.20
CCCCCC[N@@H+](C)CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531084	1	52	0.0	-81.60	399.94	11.63	-69.97
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300007531094	0	45	0.0	-74.55	334.40	9.22	-65.33
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300007531102	1	39	0.0	-84.74	324.26	11.07	-73.67
C[N@H+](CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1CCSC1	REAL300007531115	0	45	0.0	-86.79	355.74	10.13	-76.66
C[N@@H+](CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1CCSC1	REAL300007531115	1	45	0.0	-83.76	355.53	10.11	-73.65
CC(C)[NH+]1CCN(CCC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007531132	0	55	0.0	-81.04	411.57	9.11	-71.93
CC(C)N1CC[NH+](CCC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007531132	1	55	0.0	-83.40	408.10	8.92	-74.48
CC(C)[NH+]1CCN(CCCC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007531133	0	58	0.0	-77.22	433.10	9.90	-67.32
CC(C)N1CC[NH+](CCCC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007531133	1	58	0.0	-82.88	429.57	9.70	-73.18
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300007531134	0	48	0.0	-73.54	347.75	9.90	-63.64
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300007531134	1	48	0.0	-79.76	348.06	10.19	-69.57
C[NH+](C)CCN1C=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C=N1	REAL300007531136	0	47	0.0	-86.81	376.37	8.99	-77.82
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300007531147	0	53	0.0	-84.40	407.85	11.03	-73.37
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300007531147	1	53	0.0	-79.59	401.60	11.13	-68.46
CC(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007531152	1	51	0.0	-65.12	389.57	12.19	-52.93
CC(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007531152	1	51	0.0	-80.05	387.01	12.11	-67.94
CCC(CC)C(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+]1CCOCC1	REAL300007531170	1	57	0.0	-77.95	402.85	9.80	-68.15
CCCC(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300007531171	0	46	0.0	-80.85	347.02	9.68	-71.17
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007531172	0	54	0.0	-86.08	420.88	13.16	-72.92
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007531172	1	54	0.0	-86.64	421.71	13.18	-73.46
C[NH+](C)CCN1C=CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)=N1	REAL300007531187	0	47	0.0	-94.09	378.05	9.70	-84.39
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531188	0	47	0.0	-71.23	373.21	9.11	-62.12
C[C@@H]1[C@H](C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC[N@@H+]1C	REAL300007531191	0	44	0.0	-80.49	332.44	9.20	-71.29
C[C@@H]1[C@H](C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC[N@H+]1C	REAL300007531191	1	44	0.0	-79.51	336.74	9.48	-70.03
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531193	1	48	0.0	-74.36	382.21	11.16	-63.20
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC[N@@H+]1C	REAL300007531196	0	47	0.0	-82.27	354.55	9.53	-72.74
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC[N@H+]1C	REAL300007531196	1	47	0.0	-80.34	354.60	9.75	-70.59
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)=NN1	REAL300007531198	1	48	0.0	-85.68	379.21	9.25	-76.43
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)=NN1	REAL300007531198	1	48	0.0	-83.05	370.79	8.62	-74.43
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531199	1	43	0.0	-74.43	340.60	9.61	-64.82
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531199	1	43	0.0	-75.87	344.69	9.96	-65.91
CC1C[N@H+](C)CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)O1	REAL300007531205	1	45	0.0	-97.46	342.93	8.44	-89.02
CC1C[N@@H+](C)CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)O1	REAL300007531205	1	45	0.0	-96.69	350.17	8.86	-87.83
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C2	REAL300007531212	1	50	0.0	-71.12	388.58	10.35	-60.77
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C2	REAL300007531212	1	50	0.0	-80.70	391.79	10.53	-70.17
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C[NH+]1CCCC1)C2	REAL300007531215	0	41	0.0	-79.45	320.38	9.00	-70.45
CC1=[NH+]C=CN1CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531217	1	39	0.0	-76.84	324.65	9.47	-67.37
CC(C[NH+]1CCOCC1)C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531219	0	48	0.0	-82.27	363.01	8.34	-73.93
CC1CC[NH+](CC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007531238	0	47	0.0	-80.65	358.86	10.35	-70.30
CC[N@@H+]1CCOC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007531249	1	45	0.0	-93.78	346.72	8.76	-85.02
CC[N@H+]1CCOC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007531249	1	45	0.0	-86.64	339.78	8.59	-78.05
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300007531286	0	54	0.0	-81.51	398.47	11.68	-69.83
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300007531286	1	54	0.0	-78.47	401.27	11.77	-66.70
C[N@@H+]1CCCC1CCC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531292	0	47	0.0	-80.67	358.22	9.96	-70.71
C[N@H+]1CCCC1CCC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531292	1	47	0.0	-79.23	358.18	9.97	-69.26
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300007531305	0	48	0.0	-79.99	344.60	9.57	-70.42
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531307	0	45	0.0	-85.08	334.13	5.28	-79.80
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531307	1	45	0.0	-75.14	331.55	5.56	-69.58
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300007531308	0	48	0.0	-73.57	355.68	10.36	-63.21
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300007531308	1	48	0.0	-77.25	355.93	10.30	-66.95
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531315	0	51	0.0	-68.88	368.95	8.42	-60.46
CC[NH+](CC)CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531331	0	43	0.0	-77.93	327.55	8.95	-68.98
CC(C)[NH+]1CCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007531333	0	50	0.0	-85.20	370.60	10.46	-74.74
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C13CC[NH+](CC1)C3)C2	REAL300007531414	0	42	0.0	-68.29	319.49	8.10	-60.19
CCC(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300007531417	0	43	0.0	-75.91	322.27	8.76	-67.15
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300007531425	0	45	0.0	-91.38	328.47	8.70	-82.68
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300007531425	1	45	0.0	-71.84	325.45	8.55	-63.29
CC1CCC(C)[NH+]1CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531470	0	47	0.0	-75.38	352.18	9.86	-65.52
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)=C1	REAL300007531471	0	47	0.0	-81.27	372.19	11.03	-70.24
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007531472	0	54	0.0	-67.16	407.01	13.00	-54.16
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007531472	1	54	0.0	-77.28	406.69	12.97	-64.31
C[NH+](C)C1(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CCC1	REAL300007531510	0	44	0.0	-75.74	325.01	8.77	-66.97
C#CC[NH+]1CCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007531539	0	46	0.0	-87.56	361.01	10.43	-77.13
CCC[N@@H+]1CCCCC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531541	0	50	0.0	-80.66	368.15	10.52	-70.14
CCC[N@H+]1CCCCC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531541	1	50	0.0	-74.81	364.40	10.35	-64.46
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531542	0	47	0.0	-53.49	371.55	11.08	-42.41
CC[NH+]1CCN(CCC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007531544	0	52	0.0	-82.45	394.83	8.60	-73.85
CCN1CC[NH+](CCC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007531544	1	52	0.0	-83.37	394.82	8.59	-74.78
CC(C)[N@H+](C)CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531545	0	43	0.0	-77.85	330.64	9.07	-68.78
CC(C)[N@@H+](C)CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531545	1	43	0.0	-77.01	330.67	9.08	-67.93
CC(C)C(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+]1CCCCC1	REAL300007531546	0	53	0.0	-71.45	379.28	11.29	-60.16
C[NH+](C)C(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1=CC=CC=C1	REAL300007531547	1	47	0.0	-78.09	366.51	11.09	-67.00
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300007531551	0	52	0.0	-85.01	407.64	9.26	-75.75
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300007531551	1	52	0.0	-84.52	406.71	9.22	-75.30
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531556	1	48	0.0	-73.86	381.67	11.06	-62.80
C[NH+](C)CC1=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)OC2=CC=CC=C21	REAL300007531558	0	50	0.0	-64.95	392.95	11.67	-53.28
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300007531564	0	51	0.0	-74.93	366.53	11.12	-63.81
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300007531564	1	51	0.0	-75.06	375.70	11.08	-63.98
CC[N@H+](CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1CC1	REAL300007531566	0	44	0.0	-79.08	336.51	9.44	-69.64
CC[N@@H+](CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)C1CC1	REAL300007531566	1	44	0.0	-78.62	337.62	9.77	-68.85
CC(C)C(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300007531593	1	57	0.0	-78.56	415.45	10.38	-68.18
CC(C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300007531594	0	50	0.0	-74.32	364.22	10.22	-64.10
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531598	0	41	0.0	-74.97	318.80	8.68	-66.29
C[N@H+]1CCC[C@H]1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531598	1	41	0.0	-73.77	314.17	8.37	-65.40
CC(C)(C)[NH2+]CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531681	0	43	0.0	-78.77	335.17	7.59	-71.18
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)O1	REAL300007531683	0	50	0.0	-85.96	393.57	11.15	-74.81
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCCC[NH+]1CCCC1)C2	REAL300007531684	0	50	0.0	-81.57	387.54	11.25	-70.32
CC1=CC=C(N2CCC(C(=O)N3CCC4=C(C=C(F)C=C4C(=O)[O-])C3)CC2)[NH+]=C1	REAL300007531686	1	53	0.0	-79.94	405.75	10.67	-69.27
C[N@H+](CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)CC1=CC=CC=C1	REAL300007531687	1	47	0.0	-85.35	372.88	11.47	-73.88
C[N@@H+](CC(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)CC1=CC=CC=C1	REAL300007531687	1	47	0.0	-85.00	372.91	11.48	-73.52
CC(C)[C@@H](C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1)[NH+](C)C	REAL300007531698	0	46	0.0	-73.26	339.02	9.37	-63.89
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300007531716	1	42	0.0	-84.76	353.18	9.04	-75.72
C[NH+](C)CC1=CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)=NO1	REAL300007531744	1	43	0.0	-84.44	352.58	9.21	-75.23
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531748	0	54	0.0	-73.71	418.02	12.78	-60.93
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531748	1	54	0.0	-84.77	418.27	12.75	-72.02
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531761	0	47	0.0	-74.41	351.78	9.82	-64.59
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007531761	1	47	0.0	-75.09	351.32	9.80	-65.29
C[NH+]1CCC(OCC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007531784	0	48	0.0	-87.33	376.17	10.06	-77.27
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300007531788	0	51	0.0	-87.36	398.45	11.54	-75.82
CCC[N@@H+]1CCCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007531974	0	50	0.0	-83.34	379.62	10.78	-72.56
CCC[N@H+]1CCCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007531974	1	50	0.0	-64.50	369.63	10.85	-53.65
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007532005	0	50	0.0	-75.45	377.08	10.86	-64.59
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007532005	1	50	0.0	-73.72	373.00	10.49	-63.23
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C[NH+]1CCC(CO)CC1)C2	REAL300007532006	0	48	0.0	-81.44	369.70	7.04	-74.40
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532231	0	50	0.0	-65.17	372.44	10.49	-54.68
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532231	1	50	0.0	-77.86	370.64	10.40	-67.46
C[N@@H+]1CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300007532232	0	44	0.0	-91.29	356.21	9.44	-81.85
C[N@H+]1CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300007532232	1	44	0.0	-97.00	356.74	9.46	-87.54
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)N1	REAL300007532258	1	45	0.0	-75.25	366.45	9.22	-66.03
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)=C1	REAL300007532742	0	50	0.0	-81.97	394.69	11.87	-70.10
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C=C1	REAL300007532749	0	51	0.0	-87.75	402.33	10.78	-76.97
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532885	0	44	0.0	-78.30	345.00	9.59	-68.71
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)CC1	REAL300007532889	0	50	0.0	-77.28	364.59	10.31	-66.97
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=C(C=C(F)C=C4C(=O)[O-])C3)=CN12	REAL300007532893	0	42	0.0	-75.92	345.44	10.82	-65.10
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532954	0	53	0.0	-67.46	393.66	11.38	-56.08
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532954	1	53	0.0	-78.86	392.89	11.31	-67.55
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532955	0	47	0.0	-73.36	347.86	10.07	-63.29
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532955	1	47	0.0	-83.75	348.38	9.93	-73.82
C[N@@H+]1CCCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532960	0	44	0.0	-83.20	340.04	9.40	-73.80
C[N@H+]1CCCC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532960	1	44	0.0	-80.55	336.33	9.24	-71.31
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)O1	REAL300007532962	1	44	0.0	-88.47	357.63	9.70	-78.77
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532968	0	53	0.0	-70.92	367.46	9.98	-60.94
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C1	REAL300007532968	1	53	0.0	-89.18	371.78	9.95	-79.23
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CC(C)CN1C=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300007533017	1	46	0.0	-51.43	351.58	8.50	-42.93
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O=C([O-])COCC1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300007535795	1	54	0.0	-66.25	421.40	11.06	-55.19
O=C([O-])COCC1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300007535795	1	54	0.0	-65.80	421.55	11.03	-54.77
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O=C([O-])COCC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300007535908	1	48	0.0	-61.45	356.47	8.58	-52.87
CC1=[NH+]C=C2CCC(C(=O)N3CCC(COCC(=O)[O-])CC3)CN12	REAL300007535914	1	49	0.0	-69.79	375.71	9.05	-60.74
O=C([O-])COCC1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300007535915	0	57	0.0	-64.96	417.11	10.75	-54.21
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(COCC(=O)[O-])CC3)CC2)=CS1	REAL300007535993	1	56	0.0	-82.57	435.30	9.29	-73.28
CC(C(=O)N1CCC(COCC(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300007535994	1	52	0.0	-68.43	375.55	5.95	-62.48
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(COCC(=O)[O-])CC2)C=C1	REAL300007536080	0	60	0.0	-72.33	462.36	11.21	-61.12
CC1(C(=O)N2CCC(COCC(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300007536092	0	60	0.0	-67.08	431.78	11.40	-55.68
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C[NH+](C)CC1(C(=O)N2CCC(COCC(=O)[O-])CC2)CCCCC1	REAL300007536183	0	56	0.0	-68.58	383.30	9.86	-58.72
C[N@H+](CCC(=O)N1CCC(COCC(=O)[O-])CC1)C1CCCCC1	REAL300007536188	0	56	0.0	-69.05	406.70	10.07	-58.98
C[N@@H+](CCC(=O)N1CCC(COCC(=O)[O-])CC1)C1CCCCC1	REAL300007536188	1	56	0.0	-78.04	406.72	10.07	-67.97
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CC1=[NH+]C=CN1CCCC(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007536318	1	48	0.0	-66.26	379.27	9.37	-56.89
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CC[N@H+](CC1=CC=C(C(=O)N2CCC(COCC(=O)[O-])CC2)C=C1)C(C)C	REAL300007536321	0	59	0.0	-70.84	431.48	11.08	-59.76
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(COCC(=O)[O-])CC2)C=C1)C(C)C	REAL300007536321	1	59	0.0	-71.06	424.38	10.76	-60.30
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O=C([O-])COCC1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300007536356	1	54	0.0	-78.31	410.94	10.81	-67.50
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C[NH+]1CCN(C(C(=O)N2CCC(COCC(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300007536385	1	59	0.0	-67.91	432.40	8.67	-59.24
O=C([O-])COCC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300007536386	0	58	0.0	-68.41	405.06	8.35	-60.06
CCC(C(=O)N1CCC(COCC(=O)[O-])CC1)[NH+](CC)CC	REAL300007536390	0	52	0.0	-63.17	369.65	8.71	-54.46
CC(C(=O)N1CCC(COCC(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300007536392	0	53	0.0	-66.49	400.39	10.33	-56.16
CC(C(=O)N1CCC(COCC(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300007536392	1	53	0.0	-66.07	401.15	10.38	-55.69
O=C([O-])COCC1CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300007536402	0	60	0.0	-71.83	450.42	12.33	-59.50
O=C([O-])COCC1CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300007536402	1	60	0.0	-71.85	450.46	12.35	-59.50
C[NH+](C)CC1=CC=C(C(=O)N2CCC(COCC(=O)[O-])CC2)C=N1	REAL300007536426	0	49	0.0	-71.27	382.50	8.06	-63.21
CCC[NH+](CCC)CCCC(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007536435	0	58	0.0	-76.93	430.86	10.67	-66.26
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CC[N@H+](C)C(C(=O)N1CCC(COCC(=O)[O-])CC1)C1=CC=CC=C1	REAL300007536437	0	53	0.0	-63.08	392.21	10.12	-52.96
CC[N@@H+](C)C(C(=O)N1CCC(COCC(=O)[O-])CC1)C1=CC=CC=C1	REAL300007536437	1	53	0.0	-61.22	394.20	10.30	-50.92
C[N@@H+]1CCOC(C(=O)N2CCC(COCC(=O)[O-])CC2)C1	REAL300007536439	1	45	0.0	-74.03	341.08	6.67	-67.36
C[N@H+]1CCOC(C(=O)N2CCC(COCC(=O)[O-])CC2)C1	REAL300007536439	1	45	0.0	-74.06	341.11	6.67	-67.39
CC[NH+](CC)C(C(=O)N1CCC(COCC(=O)[O-])CC1)C1=CC=CC=C1	REAL300007536442	0	56	0.0	-62.59	404.44	10.82	-51.77
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007536450	1	48	0.0	-62.29	374.05	9.16	-53.13
C[NH+](C)C(C(=O)N1CCC(COCC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300007536454	1	50	0.0	-66.80	396.92	10.24	-56.56
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CCC(C(=O)N1CCC(COCC(=O)[O-])CC1)[N@@H+]1CCOC(CC)C1	REAL300007536477	1	57	0.0	-63.76	413.97	8.54	-55.22
CCC(C(=O)N1CCC(COCC(=O)[O-])CC1)[N@H+]1CCOC(CC)C1	REAL300007536477	1	57	0.0	-64.04	405.99	8.42	-55.62
CCN1CCC([NH+]2CCC(C(=O)N3CCC(COCC(=O)[O-])CC3)CC2)CC1	REAL300007536480	0	65	0.0	-70.71	462.44	9.28	-61.43
C[NH+](C)CCCCC(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007536492	0	49	0.0	-78.61	373.67	8.60	-70.01
CC(C)C(C(=O)N1CCC(COCC(=O)[O-])CC1)[NH+](C)C	REAL300007536500	0	49	0.0	-64.30	351.31	8.13	-56.17
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CC1=C(C(=O)N2CCC(COCC(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300007536516	1	48	0.0	-77.55	384.14	8.05	-69.50
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C[NH+](C)CCC1=CC=C(C(=O)N2CCC(COCC(=O)[O-])CC2)C=C1	REAL300007536538	0	53	0.0	-75.16	408.81	10.45	-64.71
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007536550	1	46	0.0	-59.97	361.30	7.08	-52.89
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CC(C(=O)N1CCC(COCC(=O)[O-])CC1)[NH+]1CCSCC1	REAL300007536608	1	48	0.0	-73.71	364.63	8.36	-65.35
C[N@H+](CC(=O)N1CCC(COCC(=O)[O-])CC1)CC(C)(C)C	REAL300007536614	0	52	0.0	-66.02	376.12	8.82	-57.20
C[N@@H+](CC(=O)N1CCC(COCC(=O)[O-])CC1)CC(C)(C)C	REAL300007536614	1	52	0.0	-65.82	378.07	8.97	-56.85
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007536616	0	53	0.0	-70.61	407.43	10.87	-59.74
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007536616	1	53	0.0	-70.57	407.43	10.86	-59.71
COCCOCC[N@H+](C)CCC(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007536617	0	57	0.0	-69.65	436.43	7.08	-62.57
COCCOCC[N@@H+](C)CCC(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007536617	1	57	0.0	-70.08	436.48	7.10	-62.98
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CC(C)[N@H+]1CCCC(C(=O)N2CCC(COCC(=O)[O-])CC2)C1	REAL300007537842	1	53	0.0	-64.31	377.65	9.02	-55.29
C[N@@H+]1CC(C(=O)N2CCC(COCC(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300007537843	0	47	0.0	-72.61	357.00	8.14	-64.47
C[N@H+]1CC(C(=O)N2CCC(COCC(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300007537843	1	47	0.0	-70.58	366.03	7.90	-62.68
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(COCC(=O)[O-])CC2)N1	REAL300007537867	1	48	0.0	-62.91	378.58	7.76	-55.15
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(COCC(=O)[O-])CC2)=C1	REAL300007538365	0	53	0.0	-72.91	409.38	10.46	-62.45
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(COCC(=O)[O-])CC2)C=C1	REAL300007538373	0	54	0.0	-74.07	416.16	9.40	-64.67
O=C([O-])COCC1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300007538473	0	60	0.0	-77.79	448.00	12.42	-65.37
CC1CN(CC2=CC=C(C(=O)N3CCC(COCC(=O)[O-])CC3)C=C2)CCO1	REAL300007538475	0	58	0.0	-76.25	440.98	9.85	-66.40
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(COCC(=O)[O-])CC3)C=C2)CCO1	REAL300007538475	1	58	0.0	-85.94	439.78	9.80	-76.14
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(COCC(=O)[O-])CC3)C=C2)CCO1	REAL300007538475	1	58	0.0	-85.94	439.78	9.80	-76.14
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(COCC(=O)[O-])CC2)CC1	REAL300007538521	0	53	0.0	-65.73	376.91	8.90	-56.83
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(COCC(=O)[O-])CC3)=CN21	REAL300007538525	0	45	0.0	-65.34	364.43	9.56	-55.78
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(COCC(=O)[O-])CC2)C1	REAL300007538589	0	56	0.0	-66.99	406.49	9.95	-57.04
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(COCC(=O)[O-])CC2)C1	REAL300007538589	1	56	0.0	-67.05	409.39	10.05	-57.00
CC[N@@H+]1CCCC(C(=O)N2CCC(COCC(=O)[O-])CC2)C1	REAL300007538590	0	50	0.0	-66.93	370.03	8.61	-58.32
CC[N@H+]1CCCC(C(=O)N2CCC(COCC(=O)[O-])CC2)C1	REAL300007538590	1	50	0.0	-67.60	369.80	8.61	-58.99
C[NH+](C)CC1=CC=C(C(=O)N2CCC(COCC(=O)[O-])CC2)O1	REAL300007538596	1	47	0.0	-70.24	369.76	8.18	-62.06
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(COCC(=O)[O-])CC2)C1	REAL300007538601	0	56	0.0	-78.61	390.52	9.04	-69.57
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(COCC(=O)[O-])CC2)C1	REAL300007538601	1	56	0.0	-70.67	389.14	9.02	-61.65
O=C([O-])COCC1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300007538604	1	49	0.0	-62.02	361.42	9.50	-52.52
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300007539549	0	53	0.0	-60.93	400.16	12.11	-48.82
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300007540099	0	50	0.0	-41.42	382.92	11.01	-30.41
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300007540099	1	50	0.0	-51.03	389.15	11.18	-39.85
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300007540915	0	47	0.0	-58.30	350.60	9.41	-48.89
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300007540940	0	44	0.0	-42.62	336.96	8.84	-33.78
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300007540940	1	44	0.0	-33.20	325.77	8.12	-25.08
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)CN12	REAL300007540946	1	45	0.0	-46.38	350.64	9.32	-37.06
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300007540947	0	53	0.0	-42.97	401.61	11.39	-31.58
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541025	0	43	0.0	-51.03	318.97	8.48	-42.55
C[N@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541025	1	43	0.0	-53.10	313.45	7.75	-45.35
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)N1CC[NH+](C)CC1	REAL300007541026	1	48	0.0	-62.26	360.24	6.80	-55.46
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541066	0	43	0.0	-46.95	325.65	8.13	-38.82
C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541066	1	43	0.0	-54.54	314.26	8.26	-46.28
C[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007541149	0	43	0.0	-61.77	325.08	8.04	-53.73
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300007541179	0	38	0.0	-60.28	320.44	9.99	-50.29
C[NH+](C)CC1(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CCCCC1	REAL300007541213	0	52	0.0	-60.10	349.39	9.56	-50.54
C[N@H+](CCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CCCCC1	REAL300007541218	0	52	0.0	-50.34	381.38	10.17	-40.17
C[N@@H+](CCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CCCCC1	REAL300007541218	1	52	0.0	-49.27	380.74	10.35	-38.92
C[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541234	0	40	0.0	-50.39	305.56	7.82	-42.57
C[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541234	1	40	0.0	-44.04	305.15	7.55	-36.49
C[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007541289	0	43	0.0	-61.77	325.08	8.04	-53.73
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300007541293	0	46	0.0	-80.00	373.50	9.15	-70.85
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300007541312	0	53	0.0	-47.14	372.45	10.21	-36.93
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300007541312	1	53	0.0	-43.61	371.78	10.30	-33.31
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300007541313	0	54	0.0	-66.03	385.47	8.96	-57.07
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541348	1	44	0.0	-51.63	353.95	9.48	-42.15
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300007541349	1	50	0.0	-60.02	381.25	8.17	-51.85
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541354	0	40	0.0	-35.52	302.58	7.11	-28.41
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541354	1	40	0.0	-43.89	305.15	7.55	-36.34
C[NH+](C)C1(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007541363	0	40	0.0	-47.91	295.99	7.52	-40.39
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007541406	0	50	0.0	-53.01	382.35	10.97	-42.04
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007541406	1	50	0.0	-60.26	387.91	10.97	-49.29
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300007541407	0	51	0.0	-75.37	386.74	10.32	-65.05
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300007541430	0	54	0.0	-50.55	379.74	8.44	-42.11
CCC(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+](CC)CC	REAL300007541434	0	48	0.0	-37.77	338.75	8.54	-29.23
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[N@H+](C)CC1=CC=CC=C1	REAL300007541436	0	49	0.0	-41.11	378.05	10.58	-30.53
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007541436	1	49	0.0	-50.02	371.86	10.84	-39.18
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C=N1	REAL300007541465	0	45	0.0	-75.81	359.68	8.53	-67.28
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541470	0	54	0.0	-53.90	405.52	10.76	-43.14
CC[N@H+](C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1=CC=CC=C1	REAL300007541471	0	49	0.0	-35.48	369.32	10.43	-25.05
CC[N@@H+](C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1=CC=CC=C1	REAL300007541471	1	49	0.0	-34.94	360.45	10.26	-24.68
C[N@@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007541473	1	41	0.0	-75.67	319.54	6.88	-68.79
C[N@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007541473	1	41	0.0	-64.44	315.81	6.78	-57.66
CC[NH+](CC)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1=CC=CC=C1	REAL300007541475	0	52	0.0	-46.86	378.39	11.45	-35.41
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541484	1	44	0.0	-43.82	348.01	9.43	-34.39
C[NH+](C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1=CC=C(Cl)C=C1	REAL300007541489	1	46	0.0	-49.93	365.42	10.62	-39.31
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300007541502	0	50	0.0	-68.56	387.37	10.96	-57.60
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300007541509	0	53	0.0	-57.97	404.73	11.81	-46.16
C[NH+](C)CC1(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007541513	0	43	0.0	-32.53	325.18	8.67	-23.86
C[NH+](C)CCCCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541521	0	45	0.0	-59.24	348.34	8.69	-50.55
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300007541530	0	45	0.0	-49.24	328.59	8.15	-41.09
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300007541540	0	53	0.0	-37.23	401.95	11.75	-25.48
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300007541540	1	53	0.0	-40.37	389.46	11.40	-28.97
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C=NN1C1=CC=[NH+]C=C1	REAL300007541542	1	44	0.0	-68.42	359.97	8.32	-60.10
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300007541550	0	53	0.0	-80.21	403.34	11.85	-68.36
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300007541562	1	46	0.0	-73.22	367.24	9.08	-64.14
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C=C1	REAL300007541563	0	49	0.0	-81.83	384.28	10.64	-71.19
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541574	1	42	0.0	-45.32	337.78	7.27	-38.05
CCC[N@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541584	0	42	0.0	-44.20	321.57	8.11	-36.09
CCC[N@@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541584	1	42	0.0	-44.46	321.57	8.11	-36.35
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CCC1	REAL300007541606	0	43	0.0	-42.02	328.48	8.67	-33.35
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CCC1	REAL300007541606	1	43	0.0	-43.70	328.54	8.69	-35.01
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+]1CCSCC1	REAL300007541630	1	44	0.0	-45.09	334.85	8.86	-36.23
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)CC(C)(C)C	REAL300007541634	0	48	0.0	-42.59	351.62	8.94	-33.65
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)CC(C)(C)C	REAL300007541634	1	48	0.0	-44.16	352.11	9.25	-34.91
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541636	0	49	0.0	-47.55	381.47	11.14	-36.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541636	1	49	0.0	-46.78	382.13	10.96	-35.82
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541637	0	53	0.0	-52.17	411.20	7.21	-44.96
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541637	1	53	0.0	-49.81	411.24	7.18	-42.63
CC[C@@H](C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300007541641	0	42	0.0	-49.79	315.78	7.76	-42.03
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007541643	0	47	0.0	-44.79	343.53	6.74	-38.05
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007541643	1	47	0.0	-44.12	353.18	6.94	-37.18
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300007541664	1	52	0.0	-50.70	387.12	9.50	-41.20
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300007541664	1	52	0.0	-49.93	389.84	10.29	-39.64
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300007541665	1	52	0.0	-38.26	394.82	9.99	-28.27
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300007541665	1	52	0.0	-50.67	390.58	10.20	-40.47
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541667	0	51	0.0	-44.97	386.07	10.46	-34.51
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541667	1	51	0.0	-45.21	386.06	10.45	-34.76
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300007541677	0	44	0.0	-47.94	316.05	8.30	-39.64
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300007541685	1	38	0.0	-69.45	320.54	10.01	-59.44
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CCSC1	REAL300007541697	0	44	0.0	-44.96	341.90	8.94	-36.02
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CCSC1	REAL300007541697	1	44	0.0	-48.71	343.12	8.92	-39.79
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007541714	0	54	0.0	-54.75	398.33	7.74	-47.01
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007541714	1	54	0.0	-49.77	397.73	7.73	-42.04
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007541715	0	57	0.0	-60.64	419.19	8.73	-51.91
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007541715	1	57	0.0	-53.74	416.65	8.37	-45.37
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300007541716	0	47	0.0	-53.38	338.40	9.03	-44.35
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300007541716	1	47	0.0	-43.14	337.43	8.70	-34.44
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C=N1	REAL300007541718	0	46	0.0	-73.00	367.85	8.00	-65.00
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300007541729	0	52	0.0	-55.11	389.98	10.13	-44.98
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300007541729	1	52	0.0	-50.78	400.11	9.84	-40.94
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007541734	1	50	0.0	-44.98	374.20	11.25	-33.73
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007541734	1	50	0.0	-47.99	371.40	11.24	-36.75
CCC(CC)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+]1CCOCC1	REAL300007541752	1	56	0.0	-37.94	388.91	9.06	-28.88
CCCC(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300007541753	0	45	0.0	-39.39	332.14	8.25	-31.14
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007541754	0	53	0.0	-56.80	407.84	11.99	-44.81
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007541754	1	53	0.0	-56.54	407.87	11.96	-44.58
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)=N1	REAL300007541769	0	46	0.0	-85.62	366.57	8.74	-76.88
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541770	0	46	0.0	-47.42	362.52	7.99	-39.43
C[C@@H]1[C@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC[N@@H+]1C	REAL300007541773	0	43	0.0	-61.02	320.44	7.73	-53.29
C[C@@H]1[C@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC[N@H+]1C	REAL300007541773	1	43	0.0	-55.76	322.87	8.16	-47.60
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541775	1	47	0.0	-47.58	368.35	9.97	-37.61
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC[N@@H+]1C	REAL300007541778	0	46	0.0	-57.32	336.38	8.09	-49.23
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC[N@H+]1C	REAL300007541778	1	46	0.0	-56.45	341.29	8.54	-47.91
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)=NN1	REAL300007541780	1	47	0.0	-70.83	363.57	7.47	-63.36
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)=NN1	REAL300007541780	1	47	0.0	-76.42	362.53	7.58	-68.84
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541781	1	42	0.0	-47.28	328.26	8.28	-39.00
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541781	1	42	0.0	-50.55	337.10	8.73	-41.82
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)O1	REAL300007541787	1	44	0.0	-65.91	329.61	7.66	-58.25
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)O1	REAL300007541787	1	44	0.0	-63.68	329.50	7.50	-56.18
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300007541794	1	49	0.0	-39.29	377.70	9.68	-29.61
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300007541794	1	49	0.0	-39.79	376.39	8.85	-30.94
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C[NH+]2CCCC2)C1	REAL300007541797	0	40	0.0	-43.89	307.14	7.63	-36.26
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541799	1	38	0.0	-43.60	311.45	8.30	-35.30
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541801	0	47	0.0	-51.02	354.04	7.11	-43.91
CC1CC[NH+](CC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007541820	0	46	0.0	-43.43	344.99	9.18	-34.25
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007541831	1	44	0.0	-60.43	326.77	7.22	-53.21
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007541831	1	44	0.0	-62.90	333.03	7.59	-55.31
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300007541868	0	53	0.0	-52.25	385.89	10.50	-41.75
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300007541868	1	53	0.0	-63.12	390.18	10.48	-52.64
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541874	0	46	0.0	-53.31	344.60	8.59	-44.72
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541874	1	46	0.0	-56.74	344.35	8.78	-47.96
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300007541886	0	47	0.0	-67.67	324.39	8.57	-59.10
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541888	0	44	0.0	-66.85	321.21	4.57	-62.28
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541888	1	44	0.0	-50.44	317.30	3.90	-46.54
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300007541889	0	47	0.0	-46.21	340.65	9.49	-36.72
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300007541889	1	47	0.0	-38.05	344.41	9.06	-28.99
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541896	0	50	0.0	-59.34	358.14	7.32	-52.02
CC[NH+](CC)CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007541912	0	42	0.0	-42.06	318.38	8.05	-34.01
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007541914	0	49	0.0	-57.77	359.39	9.23	-48.54
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C23CC[NH+](CC2)C3)C1	REAL300007541995	0	41	0.0	-58.33	305.03	7.23	-51.10
CCC(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300007541998	0	42	0.0	-48.76	305.09	7.91	-40.85
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300007542006	0	44	0.0	-55.26	312.80	7.81	-47.45
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300007542006	1	44	0.0	-62.70	320.15	7.49	-55.21
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542050	0	46	0.0	-42.12	339.59	8.73	-33.39
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)=C1	REAL300007542051	0	46	0.0	-72.14	361.05	9.74	-62.40
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300007542052	0	53	0.0	-50.22	394.96	11.90	-38.32
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300007542052	1	53	0.0	-48.95	405.07	11.67	-37.28
C[NH+](C)C1(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CCC1	REAL300007542088	0	43	0.0	-58.91	305.67	8.06	-50.85
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007542115	0	45	0.0	-70.56	352.62	9.29	-61.27
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542117	0	49	0.0	-49.03	358.28	9.86	-39.17
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542117	1	49	0.0	-51.57	353.60	9.66	-41.91
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542118	0	46	0.0	-38.83	355.03	10.02	-28.81
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007542120	0	51	0.0	-56.97	381.59	7.23	-49.74
CCN1CC[NH+](CCC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007542120	1	51	0.0	-49.45	380.40	7.10	-42.35
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542121	0	42	0.0	-41.57	317.42	7.73	-33.84
CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542121	1	42	0.0	-43.35	317.48	7.71	-35.64
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+]1CCCCC1	REAL300007542122	0	52	0.0	-39.24	366.04	10.27	-28.97
C[NH+](C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1=CC=CC=C1	REAL300007542123	1	46	0.0	-37.64	351.54	9.75	-27.89
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542131	1	47	0.0	-48.00	367.86	9.91	-38.09
C[NH+](C)CC1=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)OC2=CC=CC=C21	REAL300007542133	0	49	0.0	-42.37	377.50	10.38	-31.99
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300007542139	0	50	0.0	-43.92	366.57	9.85	-34.07
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300007542139	1	50	0.0	-46.63	364.02	10.30	-36.33
CC[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CC1	REAL300007542141	0	43	0.0	-41.29	330.92	8.74	-32.55
CC[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CC1	REAL300007542141	1	43	0.0	-42.28	327.24	8.45	-33.83
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+]1CC(C)OC(C)C1	REAL300007542167	1	56	0.0	-39.42	396.31	9.14	-30.28
CC(C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+]1CCCCCC1	REAL300007542168	0	49	0.0	-52.49	346.75	9.36	-43.13
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542171	0	40	0.0	-50.52	305.55	7.84	-42.68
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542171	1	40	0.0	-50.14	300.18	7.20	-42.94
CC(C)(C)[NH2+]CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542254	0	42	0.0	-43.64	321.29	6.41	-37.23
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)O1	REAL300007542256	0	49	0.0	-75.17	377.75	9.81	-65.36
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300007542257	0	49	0.0	-57.37	374.31	9.88	-47.49
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)CC2)[NH+]=C1	REAL300007542259	1	52	0.0	-59.43	394.31	9.30	-50.13
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)CC1=CC=CC=C1	REAL300007542260	1	46	0.0	-45.18	359.66	10.12	-35.06
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)CC1=CC=CC=C1	REAL300007542260	1	46	0.0	-46.58	359.05	10.29	-36.29
CC(C)[C@@H](C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300007542270	0	45	0.0	-48.64	327.73	8.19	-40.45
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300007542288	1	41	0.0	-70.80	342.83	7.93	-62.87
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)=NO1	REAL300007542315	1	42	0.0	-76.24	341.36	7.95	-68.29
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542319	0	53	0.0	-55.89	399.19	11.35	-44.54
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542319	1	53	0.0	-61.45	405.49	11.43	-50.02
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542332	0	46	0.0	-47.06	340.58	8.91	-38.15
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542332	1	46	0.0	-42.55	338.92	8.40	-34.15
C[NH+]1CCC(OCC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007542355	0	47	0.0	-63.97	362.29	8.87	-55.10
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300007542359	0	50	0.0	-75.42	387.00	10.54	-64.88
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007542540	0	49	0.0	-51.26	357.90	10.13	-41.13
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007542540	1	49	0.0	-32.79	352.25	9.91	-22.88
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542570	0	49	0.0	-53.95	370.65	9.75	-44.20
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007542570	1	49	0.0	-49.04	359.72	9.28	-39.76
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300007542571	0	47	0.0	-45.12	355.84	5.87	-39.25
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007542790	0	49	0.0	-48.82	362.13	9.43	-39.39
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007542790	1	49	0.0	-49.11	352.86	9.82	-39.29
C[N@@H+]1CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C(C(F)(F)F)C1	REAL300007542791	0	43	0.0	-50.02	332.57	8.84	-41.18
C[N@H+]1CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C(C(F)(F)F)C1	REAL300007542791	1	43	0.0	-73.09	340.20	7.92	-65.17
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)N1	REAL300007542816	1	44	0.0	-46.83	352.64	8.04	-38.79
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)=C1	REAL300007543291	0	49	0.0	-62.38	385.67	10.78	-51.60
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C=C1	REAL300007543298	0	50	0.0	-81.51	391.48	9.79	-71.72
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007543433	0	43	0.0	-68.72	334.65	8.34	-60.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1	REAL300007543437	0	49	0.0	-62.97	352.57	9.02	-53.95
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)=CN12	REAL300007543441	0	41	0.0	-59.92	337.75	9.79	-50.13
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007543502	0	52	0.0	-55.51	377.72	10.34	-45.17
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007543502	1	52	0.0	-49.70	371.95	10.36	-39.34
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007543503	0	46	0.0	-44.87	344.86	8.90	-35.97
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007543503	1	46	0.0	-48.32	336.34	8.83	-39.49
C[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007543508	0	43	0.0	-61.94	319.08	8.44	-53.50
C[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007543508	1	43	0.0	-49.25	318.53	8.34	-40.91
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)O1	REAL300007543510	1	43	0.0	-74.69	346.45	8.28	-66.41
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007543516	0	52	0.0	-70.43	367.11	9.46	-60.97
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C1	REAL300007543516	1	52	0.0	-69.95	358.18	9.26	-60.69
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300007543519	1	45	0.0	-36.34	327.98	8.84	-27.50
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)=N1	REAL300007544823	0	53	0.0	-79.60	407.83	9.93	-69.67
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)=N1	REAL300007544843	0	50	0.0	-76.13	391.08	9.25	-66.88
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3CCC[N@H+]3C3CC3)C2)=N1	REAL300007544843	1	50	0.0	-73.63	387.51	9.34	-64.29
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(CC4=NC(C(=O)[O-])=CS4)C3)CN21	REAL300007544848	1	51	0.0	-79.27	406.71	9.81	-69.46
C[NH+](C)CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007544895	0	42	0.0	-79.79	338.64	7.16	-72.63
C[N@@H+]1CCCCC1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007544896	0	49	0.0	-78.21	371.01	8.37	-69.84
C[N@H+]1CCCCC1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007544896	1	49	0.0	-76.25	368.01	8.21	-68.04
CC(C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)N1CC[NH+](C)CC1	REAL300007544897	1	54	0.0	-79.45	414.21	7.10	-72.35
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007544926	0	49	0.0	-74.37	377.91	8.69	-65.68
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007544926	1	49	0.0	-76.21	368.05	8.22	-67.99
C[NH+]1CCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007544972	0	49	0.0	-82.46	382.99	8.73	-73.73
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)=N1	REAL300007545000	0	44	0.0	-83.86	372.19	10.28	-73.58
C[NH+](C)CC1(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CCCCC1	REAL300007545022	0	58	0.0	-78.08	410.37	9.97	-68.11
C[N@H+](CCC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)C1CCCCC1	REAL300007545026	0	58	0.0	-84.71	435.71	10.59	-74.12
C[N@@H+](CCC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)C1CCCCC1	REAL300007545026	1	58	0.0	-84.02	435.67	10.59	-73.43
C[N@@H+]1CCCC1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545037	0	46	0.0	-75.08	360.42	7.91	-67.17
C[N@H+]1CCCC1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545037	1	46	0.0	-75.64	363.26	8.03	-67.61
C[NH+]1CCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007545079	0	49	0.0	-82.46	382.99	8.73	-73.73
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545115	1	50	0.0	-77.04	409.61	10.11	-66.93
O=C([O-])C1=CSC(CC2CCCN(C(=O)CCCC[NH+]3CCOCC3)C2)=N1	REAL300007545116	1	56	0.0	-83.32	436.91	8.79	-74.53
C[C@@H](C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300007545122	0	45	0.0	-81.14	353.52	7.28	-73.86
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545123	0	46	0.0	-77.85	357.38	7.67	-70.18
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545123	1	46	0.0	-76.00	360.42	7.98	-68.02
C[C@H](C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300007545127	0	45	0.0	-76.69	353.25	7.27	-69.42
C[NH+](C)C1(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007545135	0	46	0.0	-79.78	361.27	7.84	-71.94
CCC(C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+](CC)CC	REAL300007545190	0	54	0.0	-74.85	398.04	9.08	-65.77
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=N1	REAL300007545209	0	51	0.0	-53.80	413.24	8.36	-45.44
CCC[NH+](CCC)CCCC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545212	0	60	0.0	-84.06	455.38	10.91	-73.15
C[N@@H+]1CCOC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007545213	1	47	0.0	-90.97	370.99	7.21	-83.76
C[N@H+]1CCOC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007545213	1	47	0.0	-81.95	364.62	7.23	-74.72
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545222	1	50	0.0	-75.87	403.39	9.68	-66.19
C[NH+](C)CC1(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007545231	0	49	0.0	-79.87	386.92	8.75	-71.12
C[NH+](C)CCCCC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545236	0	51	0.0	-85.86	402.66	9.11	-76.75
CC(C)C(C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300007545245	0	51	0.0	-76.45	381.24	8.81	-67.64
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545262	1	48	0.0	-77.92	391.16	7.73	-70.19
CCC[N@H+](C)CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545269	0	48	0.0	-80.60	376.53	8.34	-72.26
CCC[N@@H+](C)CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545269	1	48	0.0	-79.20	377.86	8.56	-70.64
C[N@H+](CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)C1CCC1	REAL300007545288	0	49	0.0	-77.88	383.35	8.92	-68.96
C[N@@H+](CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)C1CCC1	REAL300007545288	1	49	0.0	-77.07	384.87	9.14	-67.93
CC(C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+]1CCSCC1	REAL300007545300	1	50	0.0	-78.94	395.55	9.08	-69.86
C[N@H+](CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)CC(C)(C)C	REAL300007545301	0	54	0.0	-78.94	406.47	9.55	-69.39
C[N@@H+](CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)CC(C)(C)C	REAL300007545301	1	54	0.0	-80.78	407.07	9.49	-71.29
CC[C@@H](C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300007545305	0	48	0.0	-78.72	363.58	7.81	-70.91
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007545307	0	53	0.0	-81.29	404.63	7.40	-73.89
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007545307	1	53	0.0	-81.97	394.98	7.23	-74.74
CCCCCC[N@H+](C)CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545327	0	57	0.0	-80.39	442.36	10.91	-69.48
CCCCCC[N@@H+](C)CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545327	1	57	0.0	-80.35	442.36	10.91	-69.44
O=C([O-])C1=CSC(CC2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)=N1	REAL300007545334	0	50	0.0	-73.50	375.03	8.46	-65.04
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)=N1	REAL300007545342	1	44	0.0	-93.95	374.00	10.53	-83.42
C[N@H+](CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)C1CCSC1	REAL300007545349	0	50	0.0	-84.35	397.98	9.40	-74.95
C[N@@H+](CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)C1CCSC1	REAL300007545349	1	50	0.0	-84.51	397.97	9.38	-75.13
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)=N1	REAL300007545364	0	53	0.0	-77.61	389.73	9.02	-68.59
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3CCCC4CCC[N@H+]43)C2)=N1	REAL300007545364	1	53	0.0	-76.82	389.79	9.59	-67.23
C[NH+](C)CCN1C=C(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=N1	REAL300007545365	0	52	0.0	-102.64	420.55	8.28	-94.36
CCCC(C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300007545387	0	51	0.0	-77.93	389.41	8.75	-69.18
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=N1	REAL300007545396	0	52	0.0	-106.54	420.91	8.95	-97.59
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545397	0	52	0.0	-75.70	415.04	8.36	-67.34
C[C@@H]1[C@H](C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC[N@@H+]1C	REAL300007545399	0	49	0.0	-87.58	372.50	8.44	-79.14
C[C@@H]1[C@H](C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC[N@H+]1C	REAL300007545399	1	49	0.0	-88.59	379.49	8.34	-80.25
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545401	1	53	0.0	-76.93	423.25	10.21	-66.72
CC[C@@H]1[C@@H](C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC[N@@H+]1C	REAL300007545403	0	52	0.0	-85.96	389.90	8.47	-77.49
CC[C@@H]1[C@@H](C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC[N@H+]1C	REAL300007545403	1	52	0.0	-84.85	399.34	9.04	-75.81
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545405	1	48	0.0	-79.15	382.32	8.70	-70.45
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545405	1	48	0.0	-75.54	386.91	9.27	-66.27
CC1C[N@H+](C)CC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)O1	REAL300007545409	1	50	0.0	-88.90	385.55	7.71	-81.19
CC1C[N@@H+](C)CC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)O1	REAL300007545409	1	50	0.0	-91.61	384.33	7.75	-83.86
O=C([O-])C1=CSC(CC2CCCN(C(=O)C[NH+]3CCCC3)C2)=N1	REAL300007545415	0	46	0.0	-79.85	361.42	8.05	-71.80
CC1=[NH+]C=CN1CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545417	1	44	0.0	-77.71	367.15	8.55	-69.16
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545419	0	53	0.0	-81.34	407.53	7.67	-73.67
CC1CC[NH+](CC(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007545438	0	52	0.0	-81.00	399.85	9.42	-71.58
CC[N@@H+]1CCOC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007545447	1	50	0.0	-89.59	380.91	7.65	-81.94
CC[N@H+]1CCOC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007545447	1	50	0.0	-86.07	381.33	7.68	-78.39
C[N@@H+]1CCCC1CCC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545473	0	52	0.0	-81.00	406.01	9.71	-71.29
C[N@H+]1CCCC1CCC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545473	1	52	0.0	-78.78	400.62	9.23	-69.55
O=C([O-])C1=CSC(CC2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)=N1	REAL300007545481	0	53	0.0	-97.86	384.73	8.61	-89.25
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545483	0	50	0.0	-77.82	378.12	4.16	-73.66
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545483	1	50	0.0	-75.64	377.31	4.38	-71.26
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)=N1	REAL300007545484	0	53	0.0	-75.63	400.53	9.64	-65.99
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3CCC4CCCC[N@H+]43)C2)=N1	REAL300007545484	1	53	0.0	-74.55	398.28	9.60	-64.95
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545488	0	56	0.0	-79.84	410.39	7.73	-72.11
CC[NH+](CC)CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545499	0	48	0.0	-77.36	374.68	8.51	-68.85
CC(C)[NH+]1CCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007545501	0	55	0.0	-79.75	417.30	9.91	-69.84
O=C([O-])C1=CSC(CC2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)=N1	REAL300007545568	0	47	0.0	-81.02	362.89	7.43	-73.59
CCC(C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300007545571	0	48	0.0	-75.48	366.86	8.07	-67.41
O=C([O-])C1=CSC(CC2CCCN(C(=O)C34CC[N@H+](C3)CCC4)C2)=N1	REAL300007545578	0	50	0.0	-84.53	370.07	7.89	-76.64
O=C([O-])C1=CSC(CC2CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)=N1	REAL300007545578	1	50	0.0	-80.22	372.29	8.01	-72.21
CC1CCC(C)[NH+]1CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545610	0	52	0.0	-76.66	393.94	8.80	-67.86
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300007545611	0	52	0.0	-88.75	417.18	10.29	-78.46
C[NH+](C)C1(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CCC1	REAL300007545638	0	49	0.0	-79.71	362.02	7.90	-71.81
C#CC[NH+]1CCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007545655	0	51	0.0	-87.25	406.04	9.68	-77.57
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545656	0	55	0.0	-75.94	405.76	9.38	-66.56
CCC[N@H+]1CCCCC1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545656	1	55	0.0	-75.37	407.29	9.66	-65.71
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545657	0	52	0.0	-71.27	414.20	10.37	-60.90
CC[NH+]1CCN(CCC(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007545658	0	57	0.0	-86.82	435.86	7.61	-79.21
CCN1CC[NH+](CCC(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007545658	1	57	0.0	-81.39	437.24	7.87	-73.52
CC(C)[N@H+](C)CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545659	0	48	0.0	-77.74	371.71	8.14	-69.60
CC(C)[N@@H+](C)CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545659	1	48	0.0	-76.63	373.05	8.36	-68.27
CC(C)C(C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+]1CCCCC1	REAL300007545660	0	58	0.0	-75.95	421.51	10.56	-65.39
C[NH+](C)C(C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)C1=CC=CC=C1	REAL300007545661	1	52	0.0	-76.33	409.84	10.39	-65.94
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545665	1	53	0.0	-78.29	424.61	10.34	-67.95
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)=N1	REAL300007545670	0	56	0.0	-78.18	416.46	10.28	-67.90
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)=N1	REAL300007545670	1	56	0.0	-74.13	423.45	10.46	-63.67
CC[N@H+](CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)C1CC1	REAL300007545672	0	49	0.0	-76.58	386.38	8.97	-67.61
CC[N@@H+](CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)C1CC1	REAL300007545672	1	49	0.0	-76.21	385.06	9.16	-67.05
CC(C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+]1CCCCCC1	REAL300007545687	0	55	0.0	-75.26	404.39	9.28	-65.98
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545690	0	46	0.0	-75.59	360.19	7.93	-67.66
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545690	1	46	0.0	-82.50	355.78	7.46	-75.04
CC(C)(C)[NH2+]CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545736	0	48	0.0	-78.19	377.58	6.89	-71.30
O=C([O-])C1=CSC(CC2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)=N1	REAL300007545737	0	55	0.0	-80.00	429.97	10.52	-69.48
C[N@H+](CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)CC1=CC=CC=C1	REAL300007545739	1	52	0.0	-83.16	415.29	10.75	-72.41
C[N@@H+](CC(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)CC1=CC=CC=C1	REAL300007545739	1	52	0.0	-83.07	415.34	10.75	-72.32
CC(C)[C@@H](C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1)[NH+](C)C	REAL300007545746	0	51	0.0	-75.15	375.50	8.62	-66.53
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)=N1	REAL300007545759	1	47	0.0	-92.35	395.47	8.22	-84.13
C[NH+](C)CC1=CC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=NO1	REAL300007545771	1	48	0.0	-91.62	393.98	8.29	-83.33
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545780	0	52	0.0	-75.81	389.14	9.58	-66.23
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545780	1	52	0.0	-79.94	387.03	9.14	-70.80
C[NH+]1CCC(OCC(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007545795	0	53	0.0	-92.14	417.70	9.12	-83.02
CCC[N@@H+]1CCCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007545907	0	55	0.0	-73.48	412.64	10.22	-63.26
CCC[N@H+]1CCCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007545907	1	55	0.0	-78.76	421.77	10.11	-68.65
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545925	0	55	0.0	-74.89	419.75	10.17	-64.72
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300007545925	1	55	0.0	-81.12	408.92	10.32	-70.80
O=C([O-])C1=CSC(CC2CCCN(C(=O)C[NH+]3CCC(CO)CC3)C2)=N1	REAL300007545926	0	53	0.0	-81.89	410.71	6.11	-75.78
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546074	0	55	0.0	-83.90	416.88	9.86	-74.04
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546074	1	55	0.0	-77.31	408.01	9.75	-67.56
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)N1	REAL300007546093	1	50	0.0	-78.94	410.32	8.51	-70.43
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546475	0	49	0.0	-79.37	387.50	8.88	-70.49
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300007546479	0	55	0.0	-82.81	406.14	9.40	-73.41
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546520	0	58	0.0	-82.22	437.70	10.56	-71.66
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546520	1	58	0.0	-82.22	437.70	10.56	-71.66
CC[N@@H+]1CCCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546521	0	52	0.0	-78.17	391.35	9.41	-68.76
CC[N@H+]1CCCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546521	1	52	0.0	-78.17	391.35	9.41	-68.76
C[N@@H+]1CCCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546526	0	49	0.0	-77.40	374.86	8.86	-68.54
C[N@H+]1CCCC(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546526	1	49	0.0	-77.40	374.86	8.86	-68.54
CN(C)CC1=CC=C(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)O1	REAL300007546528	0	49	0.0	-99.82	399.50	8.75	-91.07
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)O1	REAL300007546528	1	49	0.0	-99.82	399.50	8.75	-91.07
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546534	0	58	0.0	-81.57	419.82	9.80	-71.77
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300007546534	1	58	0.0	-81.57	419.82	9.80	-71.77
O=C([O-])C1=CSC(CC2CCCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)=N1	REAL300007546537	0	51	0.0	-78.02	387.92	9.73	-68.29
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CC=C3Br)C2)C1	REAL300007546603	0	47	0.0	-45.57	368.17	10.30	-35.27
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CC=C3Br)C2)C1	REAL300007546603	1	47	0.0	-45.57	368.17	10.30	-35.27
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007547937	0	54	0.0	-51.49	416.42	12.49	-39.00
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007547937	1	54	0.0	-45.67	416.37	12.49	-33.18
O=C([O-])[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007548638	0	51	0.0	-69.80	395.44	11.43	-58.37
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007548662	0	48	0.0	-49.96	376.79	10.80	-39.16
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007548662	1	48	0.0	-46.32	368.89	10.22	-36.10
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C4=CC=C(F)C=C4)[C@H](C(=O)[O-])C3)CN12	REAL300007548668	1	49	0.0	-63.09	390.53	11.08	-52.01
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007548740	0	47	0.0	-54.72	362.42	10.00	-44.72
C[N@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007548740	1	47	0.0	-56.35	350.33	9.46	-46.89
CC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300007548741	1	52	0.0	-62.11	388.29	8.02	-54.09
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007548776	0	47	0.0	-54.73	362.44	10.01	-44.72
C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007548776	1	47	0.0	-56.75	351.07	9.53	-47.22
C[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007548849	0	47	0.0	-62.95	362.60	9.84	-53.11
O=C([O-])[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007548879	0	42	0.0	-61.16	355.94	11.78	-49.38
C[NH+](C)CC1(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CCCCC1	REAL300007548909	0	56	0.0	-54.42	393.86	11.86	-42.56
C[N@H+](CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300007548914	0	56	0.0	-60.73	420.36	12.06	-48.67
C[N@@H+](CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300007548914	1	56	0.0	-58.10	419.60	12.00	-46.10
C[N@@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007548930	0	44	0.0	-55.52	345.92	9.35	-46.17
C[N@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007548930	1	44	0.0	-59.07	336.13	9.32	-49.75
C[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007548983	0	47	0.0	-62.95	362.60	9.84	-53.11
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549001	0	57	0.0	-51.86	416.08	12.67	-39.19
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549001	1	57	0.0	-49.66	417.34	12.15	-37.51
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549036	1	48	0.0	-56.52	392.23	11.32	-45.20
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549037	1	54	0.0	-63.60	419.51	10.00	-53.60
C[C@@H](C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300007549043	0	43	0.0	-54.31	338.66	8.78	-45.53
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549044	0	44	0.0	-52.71	339.87	8.87	-43.84
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549044	1	44	0.0	-51.06	343.77	9.28	-41.78
C[C@H](C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300007549048	0	43	0.0	-50.01	336.82	8.78	-41.23
C[NH+](C)C1(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007549056	0	44	0.0	-55.57	342.59	8.96	-46.61
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549097	0	54	0.0	-61.57	421.73	12.66	-48.91
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549097	1	54	0.0	-61.51	422.40	12.74	-48.77
CCC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+](CC)CC	REAL300007549122	0	52	0.0	-51.56	381.40	10.86	-40.70
CC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300007549124	0	53	0.0	-55.71	416.11	12.39	-43.32
CC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300007549124	1	53	0.0	-51.50	414.01	12.26	-39.24
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300007549147	0	49	0.0	-67.42	389.37	10.02	-57.40
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549152	0	58	0.0	-59.38	443.81	12.62	-46.76
CC[N@H+](C)C(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300007549153	0	53	0.0	-54.96	405.84	12.45	-42.51
CC[N@@H+](C)C(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300007549153	1	53	0.0	-52.65	412.50	12.43	-40.22
C[N@@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007549154	1	45	0.0	-82.35	353.68	8.67	-73.68
C[N@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007549154	1	45	0.0	-77.45	354.68	8.71	-68.74
CC[NH+](CC)C(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300007549156	0	56	0.0	-53.72	417.91	12.81	-40.91
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549166	1	48	0.0	-50.09	385.71	11.14	-38.95
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549177	0	54	0.0	-77.17	421.13	12.71	-64.46
C[NH+](C)CC1(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007549186	0	47	0.0	-54.94	369.17	9.90	-45.04
C[NH+](C)CCCCC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549192	0	49	0.0	-64.24	387.29	10.61	-53.63
CC(C)C(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300007549200	0	49	0.0	-54.64	361.32	9.83	-44.81
CC1=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300007549210	1	48	0.0	-71.53	390.83	9.86	-61.67
O=C([O-])[C@@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549225	1	50	0.0	-69.57	401.64	10.79	-58.78
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300007549226	0	53	0.0	-79.42	417.73	12.36	-67.06
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549236	1	46	0.0	-49.38	370.69	8.96	-40.42
CCC[N@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549244	0	46	0.0	-52.51	361.00	9.86	-42.65
CCC[N@@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549244	1	46	0.0	-52.71	361.00	9.85	-42.86
C[N@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1CCC1	REAL300007549265	0	47	0.0	-55.35	368.17	10.42	-44.93
C[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1CCC1	REAL300007549265	1	47	0.0	-55.62	368.07	10.40	-45.22
CC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+]1CCSCC1	REAL300007549287	1	48	0.0	-52.76	379.21	10.36	-42.40
C[N@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)CC(C)(C)C	REAL300007549289	0	52	0.0	-56.83	389.78	10.85	-45.98
C[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)CC(C)(C)C	REAL300007549289	1	52	0.0	-52.19	391.91	11.00	-41.19
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549291	0	53	0.0	-56.14	420.91	12.87	-43.27
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549291	1	53	0.0	-55.89	420.91	12.88	-43.01
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549292	0	57	0.0	-61.66	450.06	9.09	-52.57
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549292	1	57	0.0	-62.29	450.11	9.09	-53.20
CC[C@@H](C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300007549295	0	46	0.0	-53.88	351.87	9.47	-44.41
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007549297	0	51	0.0	-53.23	380.30	8.59	-44.64
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007549297	1	51	0.0	-58.17	377.86	8.72	-49.45
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549319	0	55	0.0	-53.34	425.49	12.20	-41.14
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549319	1	55	0.0	-53.56	425.50	12.19	-41.37
O=C([O-])[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C1=CC=C(F)C=C1	REAL300007549330	0	48	0.0	-53.48	359.02	9.78	-43.70
O=C([O-])[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549338	1	42	0.0	-65.37	355.18	11.84	-53.53
C[N@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1CCSC1	REAL300007549349	0	48	0.0	-55.15	379.40	10.66	-44.49
C[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1CCSC1	REAL300007549349	1	48	0.0	-61.44	382.84	10.62	-50.82
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007549366	0	58	0.0	-60.48	437.12	9.64	-50.84
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007549366	1	58	0.0	-57.20	433.10	9.39	-47.81
O=C([O-])[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@H]1C1=CC=C(F)C=C1	REAL300007549367	0	51	0.0	-53.57	376.52	10.86	-42.71
O=C([O-])[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@H]1C1=CC=C(F)C=C1	REAL300007549367	1	51	0.0	-48.56	387.09	11.08	-37.48
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300007549369	0	50	0.0	-69.27	399.32	9.54	-59.73
CC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007549384	0	54	0.0	-56.10	418.88	12.78	-43.32
CC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007549384	1	54	0.0	-56.81	413.23	12.67	-44.14
CCCC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300007549401	0	49	0.0	-55.75	372.73	10.15	-45.60
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300007549415	0	50	0.0	-71.03	403.10	10.20	-60.83
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549416	0	50	0.0	-57.89	394.98	9.55	-48.34
C[C@@H]1[C@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC[N@@H+]1C	REAL300007549419	0	47	0.0	-62.22	356.98	9.35	-52.87
C[C@@H]1[C@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC[N@H+]1C	REAL300007549419	1	47	0.0	-60.77	364.01	9.59	-51.18
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549421	1	51	0.0	-54.84	407.90	11.68	-43.16
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC[N@@H+]1C	REAL300007549424	0	50	0.0	-61.76	374.62	9.99	-51.77
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC[N@H+]1C	REAL300007549424	1	50	0.0	-61.11	381.18	10.31	-50.80
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)=NN1	REAL300007549426	1	51	0.0	-69.85	398.90	9.38	-60.47
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)=NN1	REAL300007549426	1	51	0.0	-67.19	397.24	9.32	-57.87
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549427	0	46	0.0	-53.07	366.81	10.19	-42.88
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549427	1	46	0.0	-53.78	371.30	10.49	-43.29
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300007549433	1	48	0.0	-62.41	369.53	9.40	-53.01
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300007549433	1	48	0.0	-78.44	368.63	9.02	-69.42
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549439	1	53	0.0	-46.77	418.54	11.35	-35.42
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549439	1	53	0.0	-49.12	412.05	10.67	-38.45
O=C([O-])[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549441	0	44	0.0	-56.59	346.19	9.54	-47.05
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549443	1	42	0.0	-50.53	348.47	10.00	-40.53
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549445	0	51	0.0	-71.06	393.72	9.07	-61.99
CC1CC[NH+](CC(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007549464	0	50	0.0	-56.25	384.16	10.86	-45.39
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007549475	1	48	0.0	-61.06	363.92	9.14	-51.92
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007549475	1	48	0.0	-75.12	372.46	9.31	-65.81
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549509	0	57	0.0	-59.25	425.26	12.27	-46.98
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549509	1	57	0.0	-57.17	422.22	12.14	-45.03
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549514	0	50	0.0	-61.34	383.81	10.49	-50.85
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549514	1	50	0.0	-54.08	383.62	10.79	-43.29
O=C([O-])[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C1=CC=C(F)C=C1	REAL300007549526	0	51	0.0	-61.67	367.75	10.02	-51.65
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549528	0	48	0.0	-40.74	353.83	5.99	-34.75
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549528	1	48	0.0	-56.28	360.47	5.61	-50.67
O=C([O-])[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@H]1C1=CC=C(F)C=C1	REAL300007549529	0	51	0.0	-51.56	385.57	11.18	-40.38
O=C([O-])[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@H]1C1=CC=C(F)C=C1	REAL300007549529	1	51	0.0	-51.47	387.73	11.25	-40.22
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549536	0	54	0.0	-61.08	397.27	9.07	-52.01
CC[NH+](CC)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549551	0	46	0.0	-51.66	357.31	9.74	-41.92
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007549553	0	53	0.0	-59.69	396.93	11.03	-48.66
O=C([O-])[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C1=CC=C(F)C=C1	REAL300007549632	0	45	0.0	-70.84	336.90	8.89	-61.95
CCC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300007549635	0	46	0.0	-53.76	348.30	9.30	-44.46
O=C([O-])[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@H]1C1=CC=C(F)C=C1	REAL300007549643	0	48	0.0	-57.96	353.39	9.24	-48.72
O=C([O-])[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@H]1C1=CC=C(F)C=C1	REAL300007549643	1	48	0.0	-73.92	350.45	9.13	-64.79
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549687	0	50	0.0	-50.47	367.93	10.03	-40.44
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300007549688	0	50	0.0	-66.29	393.34	11.37	-54.92
C[NH+](C)C1(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CCC1	REAL300007549722	0	47	0.0	-56.21	351.42	9.28	-46.93
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007549745	0	49	0.0	-64.07	387.28	10.99	-53.08
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549747	0	53	0.0	-53.12	401.74	11.38	-41.74
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549747	1	53	0.0	-46.58	399.84	11.34	-35.24
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549748	0	50	0.0	-59.37	393.89	11.53	-47.84
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007549750	0	55	0.0	-62.56	419.88	9.09	-53.47
CCN1CC[NH+](CCC(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007549750	1	55	0.0	-60.95	420.54	9.12	-51.83
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549751	0	46	0.0	-50.08	356.19	9.63	-40.45
CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549751	1	46	0.0	-51.54	356.19	9.63	-41.91
CC(C)C(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300007549752	0	56	0.0	-52.34	404.84	11.97	-40.37
C[NH+](C)C(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300007549753	1	50	0.0	-53.25	393.67	11.71	-41.54
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549760	1	51	0.0	-54.67	407.42	11.62	-43.05
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549766	0	54	0.0	-53.21	383.53	11.91	-41.30
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549766	1	54	0.0	-53.67	406.33	11.79	-41.88
CC[N@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300007549768	0	47	0.0	-48.72	368.70	10.45	-38.27
CC[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300007549768	1	47	0.0	-53.40	362.59	10.27	-43.13
CC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300007549791	0	53	0.0	-49.31	388.46	10.81	-38.50
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549794	0	44	0.0	-54.71	344.66	9.20	-45.51
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549794	1	44	0.0	-55.17	338.67	8.91	-46.26
CC(C)(C)[NH2+]CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549860	0	46	0.0	-52.94	360.20	8.10	-44.84
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300007549862	0	53	0.0	-58.05	412.44	11.34	-46.71
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549863	0	53	0.0	-62.93	411.66	11.67	-51.26
C[N@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300007549865	1	50	0.0	-60.56	398.61	12.03	-48.53
C[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300007549865	1	50	0.0	-55.04	398.48	12.03	-43.01
CC(C)[C@@H](C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300007549875	0	49	0.0	-54.41	363.34	10.06	-44.35
O=C([O-])[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549894	1	45	0.0	-71.50	374.25	9.48	-62.02
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300007549916	1	46	0.0	-71.07	376.41	9.48	-61.59
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549929	0	50	0.0	-45.04	370.40	10.68	-34.36
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007549929	1	50	0.0	-49.40	376.81	10.39	-39.01
C[NH+]1CCC(OCC(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007549948	0	51	0.0	-66.59	401.85	10.61	-55.98
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550103	0	53	0.0	-57.15	401.52	11.21	-45.94
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550103	1	53	0.0	-69.33	403.37	11.33	-58.00
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007550130	0	53	0.0	-54.17	403.23	11.40	-42.77
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2)[C@H](C(=O)[O-])C1	REAL300007550130	1	53	0.0	-61.90	405.10	11.45	-50.45
O=C([O-])[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007550131	0	51	0.0	-58.49	396.06	7.63	-50.86
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550325	0	53	0.0	-54.29	390.78	11.13	-43.16
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550325	1	53	0.0	-52.03	390.49	10.95	-41.08
C[N@@H+]1CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300007550326	0	47	0.0	-56.76	381.28	9.92	-46.84
C[N@H+]1CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300007550326	1	47	0.0	-68.47	373.27	10.59	-57.88
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)N1	REAL300007550349	1	48	0.0	-52.63	391.49	9.70	-42.93
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300007550766	0	53	0.0	-55.39	415.87	12.22	-43.17
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550896	0	47	0.0	-62.30	370.60	10.10	-52.20
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300007550900	0	53	0.0	-58.08	389.97	10.82	-47.26
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H](C4=CC=C(F)C=C4)[C@H](C(=O)[O-])C3)=CN12	REAL300007550903	0	45	0.0	-56.73	377.36	11.55	-45.18
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550959	0	56	0.0	-55.52	413.64	12.13	-43.39
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550959	1	56	0.0	-53.81	410.90	12.04	-41.77
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550960	0	50	0.0	-55.28	374.08	10.62	-44.66
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550960	1	50	0.0	-61.11	374.30	10.68	-50.43
C[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550965	0	47	0.0	-55.51	355.62	9.91	-45.60
C[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550965	1	47	0.0	-53.95	356.17	9.78	-44.17
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300007550967	1	47	0.0	-62.79	382.96	10.31	-52.48
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550973	0	56	0.0	-62.60	398.17	10.51	-52.09
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300007550973	1	56	0.0	-65.77	401.77	11.60	-54.17
O=C([O-])[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@H]1C1=CC=C(F)C=C1	REAL300007550976	1	49	0.0	-51.53	374.15	12.21	-39.32
CC(C)[C@@H]1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C[C@H]1C(=O)[O-]	REAL300007552296	0	56	0.0	-65.70	411.41	11.61	-54.09
CC(C)[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007553052	0	53	0.0	-52.72	390.54	10.74	-41.98
CC(C)[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007553052	1	53	0.0	-54.07	395.60	11.13	-42.94
CC(C)[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C[C@H]1C(=O)[O-]	REAL300007553909	1	53	0.0	-52.19	415.80	11.74	-40.45
CC(C)[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C[C@H]1C(=O)[O-]	REAL300007553909	1	53	0.0	-45.60	408.76	11.27	-34.33
CC(C)[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C(=O)[O-]	REAL300007553986	0	50	0.0	-60.90	364.14	9.44	-51.46
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)CN12	REAL300007554016	1	48	0.0	-56.04	360.65	9.11	-46.93
CC(C)[C@@H]1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007554017	0	56	0.0	-58.45	412.78	11.50	-46.95
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)CC2)=CS1	REAL300007554091	1	55	0.0	-61.43	413.52	9.12	-52.31
CC(C)[C@@H]1CN(C(=O)C(C)N2CC[NH+](C)CC2)C[C@H]1C(=O)[O-]	REAL300007554092	1	51	0.0	-64.33	364.05	6.31	-58.02
CC(C)[C@@H]1CN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C[C@H]1C(=O)[O-]	REAL300007554178	0	59	0.0	-68.52	448.12	11.40	-57.12
CC(C)[C@@H]1CN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C[C@H]1C(=O)[O-]	REAL300007554190	0	59	0.0	-81.20	444.29	13.28	-67.92
CC(C)[C@@H]1CN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C[C@H]1C(=O)[O-]	REAL300007554190	1	59	0.0	-81.66	444.80	13.30	-68.36
CC(C)[C@@H]1CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C[C@H]1C(=O)[O-]	REAL300007554192	0	59	0.0	-61.66	414.76	11.60	-50.06
CC(C)[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@H]1C(=O)[O-]	REAL300007554251	0	41	0.0	-73.97	319.29	9.72	-64.25
CC(C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C(=O)[O-]	REAL300007554281	0	55	0.0	-42.56	367.36	9.36	-33.20
CC(C)[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C(=O)[O-]	REAL300007554285	0	55	0.0	-53.53	388.49	10.17	-43.36
CC(C)[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C(=O)[O-]	REAL300007554285	1	55	0.0	-59.81	393.05	10.28	-49.53
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@H]1C(=O)[O-]	REAL300007554308	1	56	0.0	-55.17	406.04	11.37	-43.80
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C[C@H]1C(=O)[O-]	REAL300007554308	1	56	0.0	-54.20	413.06	11.68	-42.52
CC(C)[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@H]1C(=O)[O-]	REAL300007554309	1	53	0.0	-52.93	405.48	11.28	-41.65
CC(C)[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@H]1C(=O)[O-]	REAL300007554309	1	53	0.0	-46.28	398.43	10.82	-35.46
CC(C)[C@@H]1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@H]1C(=O)[O-]	REAL300007554365	0	49	0.0	-63.95	380.33	8.86	-55.09
CC(C)[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)C[C@H]1C(=O)[O-]	REAL300007554370	0	59	0.0	-80.53	442.14	11.05	-69.48
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@H]1C(=O)[O-]	REAL300007554394	0	56	0.0	-45.69	385.52	10.31	-35.38
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@H]1C(=O)[O-]	REAL300007554394	1	56	0.0	-51.59	386.27	10.35	-41.24
CC(C)[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@H]1C(=O)[O-]	REAL300007554395	0	57	0.0	-62.80	397.17	8.44	-54.36
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007554427	1	47	0.0	-60.52	365.02	9.57	-50.95
CC(C)[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C(=O)[O-]	REAL300007554428	1	53	0.0	-66.22	392.57	8.25	-57.97
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C=C1)C(C)C	REAL300007554430	0	58	0.0	-81.06	414.01	11.19	-69.87
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C=C1)C(C)C	REAL300007554430	1	58	0.0	-66.95	403.91	10.97	-55.98
CC(C)[C@@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C(=O)[O-]	REAL300007554454	0	53	0.0	-58.26	395.16	10.92	-47.34
CC(C)[C@@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C(=O)[O-]	REAL300007554454	1	53	0.0	-61.88	396.61	10.99	-50.89
CC(C)[C@@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C[C@H]1C(=O)[O-]	REAL300007554455	0	54	0.0	-68.39	390.03	10.01	-58.38
CC(C)[C@@H]1CN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C[C@H]1C(=O)[O-]	REAL300007554483	1	58	0.0	-63.01	420.69	9.53	-53.48
CC(C)[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H]1C(=O)[O-]	REAL300007554484	0	57	0.0	-58.56	392.69	8.55	-50.01
CC(C)[C@@H]1CN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007554489	0	52	0.0	-46.22	383.72	10.52	-35.70
CC(C)[C@@H]1CN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007554489	1	52	0.0	-55.21	387.57	10.57	-44.64
CC(C)[C@@H]1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@H]1C(=O)[O-]	REAL300007554500	0	59	0.0	-64.63	434.03	12.43	-52.20
CC(C)[C@@H]1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@H]1C(=O)[O-]	REAL300007554500	1	59	0.0	-58.56	429.51	12.35	-46.21
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C[C@H]1C(=O)[O-]	REAL300007554528	0	48	0.0	-65.39	358.98	7.76	-57.63
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007554539	0	57	0.0	-62.67	412.40	10.59	-52.08
CC(C)[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C[C@H]1C(=O)[O-]	REAL300007554540	1	57	0.0	-52.80	421.50	8.52	-44.28
CC[N@H+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1)C1=CC=CC=C1	REAL300007554541	0	52	0.0	-47.39	379.17	10.39	-37.00
CC[N@@H+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1)C1=CC=CC=C1	REAL300007554541	1	52	0.0	-43.44	381.85	10.60	-32.84
CC[NH+](CC)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1)C1=CC=CC=C1	REAL300007554546	0	55	0.0	-51.69	389.24	10.63	-41.06
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007554552	1	47	0.0	-48.61	359.47	9.33	-39.28
CC(C)[C@@H]1CN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C[C@H]1C(=O)[O-]	REAL300007554554	1	49	0.0	-52.14	375.26	10.21	-41.93
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@H]1C(=O)[O-]	REAL300007554568	0	53	0.0	-84.44	392.24	10.81	-73.63
CC(C)[C@@H]1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C[C@H]1C(=O)[O-]	REAL300007554575	0	56	0.0	-76.97	409.14	11.53	-65.44
CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)CC2)CC1	REAL300007554582	0	64	0.0	-77.94	448.80	9.49	-68.45
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C[C@H]1C(=O)[O-]	REAL300007554589	1	60	0.0	-87.64	442.72	10.62	-77.02
CC(C)[C@@H]1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@H]1C(=O)[O-]	REAL300007554600	1	57	0.0	-70.35	428.32	11.22	-59.13
CC(C)[C@@H]1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@H]1C(=O)[O-]	REAL300007554600	1	57	0.0	-68.76	421.91	11.15	-57.61
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007554616	0	56	0.0	-53.84	400.06	11.30	-42.54
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007554616	1	56	0.0	-51.04	407.59	11.60	-39.44
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C=NN1C1=CC=[NH+]C=C1	REAL300007554618	1	47	0.0	-70.58	363.18	8.08	-62.50
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C[C@H]1C(=O)[O-]	REAL300007554626	0	56	0.0	-84.73	408.98	11.52	-73.21
CC(C)[C@@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@H]1C(=O)[O-]	REAL300007554638	1	49	0.0	-72.55	375.69	9.06	-63.49
CC(C)[C@@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C[C@H]1C(=O)[O-]	REAL300007554639	0	52	0.0	-86.36	389.92	10.52	-75.84
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007554650	1	45	0.0	-50.29	345.19	7.28	-43.01
CC(C)[C@@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@H]1C(=O)[O-]	REAL300007554651	1	54	0.0	-58.62	397.45	10.36	-48.26
CC(C)[C@@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@H]1C(=O)[O-]	REAL300007554651	1	54	0.0	-63.37	404.52	10.50	-52.87
CC(C)[C@@H]1CN(C(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C[C@H]1C(=O)[O-]	REAL300007554665	0	62	0.0	-56.44	443.71	12.82	-43.62
CC(C)[C@@H]1CN(C(=O)C(C)[NH+]2CCSCC2)C[C@H]1C(=O)[O-]	REAL300007554705	1	47	0.0	-53.90	347.19	8.36	-45.54
CC(C)[C@@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007554712	0	52	0.0	-60.25	393.80	11.07	-49.18
CC(C)[C@@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007554712	1	52	0.0	-58.75	388.84	10.90	-47.85
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007554713	0	56	0.0	-61.04	422.68	7.29	-53.75
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007554713	1	56	0.0	-55.27	418.25	7.22	-48.05
CC(C)[C@@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C[C@H]1C(=O)[O-]	REAL300007554717	0	50	0.0	-58.53	364.90	7.05	-51.48
CC(C)[C@@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C[C@H]1C(=O)[O-]	REAL300007554717	1	50	0.0	-59.19	355.27	6.85	-52.34
CC(C)[C@@H]1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@H]1C(=O)[O-]	REAL300007554727	0	61	0.0	-67.23	448.09	10.76	-56.47
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C[C@H]1C(=O)[O-]	REAL300007554728	1	55	0.0	-45.98	402.29	9.91	-36.07
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C[C@H]1C(=O)[O-]	REAL300007554728	1	55	0.0	-49.08	390.49	9.47	-39.61
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C[C@H]1C(=O)[O-]	REAL300007554729	1	55	0.0	-56.01	394.32	9.49	-46.52
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C[C@H]1C(=O)[O-]	REAL300007554729	1	55	0.0	-48.64	390.35	9.35	-39.29
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007554731	0	54	0.0	-59.53	397.83	10.39	-49.14
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007554731	1	54	0.0	-59.62	397.82	10.39	-49.23
CC(C)[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@H]1C(=O)[O-]	REAL300007554743	1	41	0.0	-64.14	325.19	9.99	-54.15
CC(C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCSC2)C[C@H]1C(=O)[O-]	REAL300007554761	0	47	0.0	-57.67	350.08	8.77	-48.90
CC(C)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)C[C@H]1C(=O)[O-]	REAL300007554761	1	47	0.0	-58.51	349.12	8.73	-49.78
CC(C)[C@@H]1CN(C(=O)CCN2CC[NH+](C(C)C)CC2)C[C@H]1C(=O)[O-]	REAL300007554776	0	57	0.0	-61.57	404.56	7.46	-54.11
CC(C)[C@@H]1CN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C[C@H]1C(=O)[O-]	REAL300007554776	1	57	0.0	-54.04	401.94	7.56	-46.48
CC(C)[C@@H]1CN(C(=O)CCCN2CC[NH+](C(C)C)CC2)C[C@H]1C(=O)[O-]	REAL300007554777	0	60	0.0	-63.98	426.95	8.40	-55.58
CC(C)[C@@H]1CN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C[C@H]1C(=O)[O-]	REAL300007554777	1	60	0.0	-63.14	427.97	8.48	-54.66
CC(C)[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@H]1C(=O)[O-]	REAL300007554778	0	50	0.0	-48.63	354.76	9.15	-39.48
CC(C)[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@H]1C(=O)[O-]	REAL300007554778	1	50	0.0	-52.40	350.44	9.08	-43.32
CC(C)[C@@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C[C@H]1C(=O)[O-]	REAL300007554780	0	49	0.0	-67.67	369.35	7.69	-59.98
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)CC2)=C1	REAL300007554787	0	61	0.0	-58.00	444.30	10.60	-47.40
CC(C)[C@@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@H]1C(=O)[O-]	REAL300007554789	0	58	0.0	-57.90	422.40	9.87	-48.03
CC(C)[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C[C@H]1C(=O)[O-]	REAL300007554792	0	55	0.0	-59.33	400.33	9.72	-49.61
CC(C)[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C[C@H]1C(=O)[O-]	REAL300007554792	1	55	0.0	-61.03	405.29	9.70	-51.33
CC(C)[C@@H]1CN(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C[C@H]1C(=O)[O-]	REAL300007554797	0	53	0.0	-55.17	391.16	10.97	-44.20
CC(C)[C@@H]1CN(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C[C@H]1C(=O)[O-]	REAL300007554797	1	53	0.0	-68.68	386.51	10.92	-57.76
CCC(CC)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1)[NH+]1CCOCC1	REAL300007554816	1	59	0.0	-54.57	396.53	8.98	-45.59
CC(C)[C@@H]1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C(=O)[O-]	REAL300007554825	0	56	0.0	-60.80	413.04	11.74	-49.06
CC(C)[C@@H]1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C(=O)[O-]	REAL300007554825	1	56	0.0	-62.68	415.79	11.72	-50.96
CC(C)[C@@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C[C@H]1C(=O)[O-]	REAL300007554840	0	49	0.0	-69.16	375.77	8.38	-60.78
CC(C)[C@@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C[C@H]1C(=O)[O-]	REAL300007554841	0	49	0.0	-61.94	367.90	7.79	-54.15
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007554847	1	50	0.0	-55.11	380.25	9.88	-45.23
CC(C)[C@@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C[C@H]1C(=O)[O-]	REAL300007554851	1	50	0.0	-66.87	365.72	7.26	-59.61
CC(C)[C@@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C[C@H]1C(=O)[O-]	REAL300007554851	1	50	0.0	-74.97	372.88	7.61	-67.36
CC(C)[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C[C@H]1C(=O)[O-]	REAL300007554863	0	56	0.0	-75.31	411.90	11.86	-63.45
CC(C)[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C[C@H]1C(=O)[O-]	REAL300007554863	1	56	0.0	-60.85	416.83	11.62	-49.23
CC(C)[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@H]1C(=O)[O-]	REAL300007554864	1	52	0.0	-53.05	388.85	9.15	-43.90
CC(C)[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@H]1C(=O)[O-]	REAL300007554864	1	52	0.0	-57.03	391.10	9.32	-47.71
CC(C)[C@@H]1CN(C(=O)C(C)C[NH+]2CCOCC2)C[C@H]1C(=O)[O-]	REAL300007554868	0	50	0.0	-59.11	358.82	7.02	-52.09
CC(C)[C@@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C[C@H]1C(=O)[O-]	REAL300007554869	0	57	0.0	-56.83	420.64	9.35	-47.48
CC(C)[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C(=O)[O-]	REAL300007554924	0	56	0.0	-61.04	396.19	10.45	-50.59
CC(C)[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@H]1C(=O)[O-]	REAL300007554924	1	56	0.0	-55.12	393.90	10.38	-44.74
CC(C)[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C(=O)[O-]	REAL300007554943	0	50	0.0	-74.81	342.02	8.34	-66.47
CC(C)[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@H]1C(=O)[O-]	REAL300007554947	0	50	0.0	-48.29	350.15	8.99	-39.30
CC(C)[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@H]1C(=O)[O-]	REAL300007554947	1	50	0.0	-52.53	354.19	9.07	-43.46
CC(C)[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C(=O)[O-]	REAL300007554955	0	53	0.0	-58.95	363.25	7.11	-51.84
CC(C)[C@@H]1CN(C(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)C[C@H]1C(=O)[O-]	REAL300007554960	0	62	0.0	-63.59	448.60	10.37	-53.22
CC(C)[C@@H]1CN(C(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)C[C@H]1C(=O)[O-]	REAL300007554960	1	62	0.0	-86.63	442.97	9.90	-76.73
CC(C)[C@@H]1CN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C[C@H]1C(=O)[O-]	REAL300007554961	0	56	0.0	-70.08	398.66	8.69	-61.39
CC(C)[C@@H]1CN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C[C@H]1C(=O)[O-]	REAL300007554961	1	56	0.0	-66.03	402.65	8.87	-57.16
CC(C)[C@@H]1CN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C[C@H]1C(=O)[O-]	REAL300007554966	0	58	0.0	-67.50	427.30	9.14	-58.36
CC(C)[C@@H]1CN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C[C@H]1C(=O)[O-]	REAL300007554967	0	58	0.0	-79.61	426.23	9.15	-70.46
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C[C@H]1C(=O)[O-]	REAL300007554967	1	58	0.0	-85.74	425.51	8.97	-76.77
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C=C1	REAL300007554968	0	59	0.0	-65.14	428.22	10.76	-54.38
CC(C)[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C(=O)[O-]	REAL300007554975	0	52	0.0	-60.05	365.67	8.99	-51.06
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C[C@H]1C(=O)[O-]	REAL300007555092	0	60	0.0	-88.72	440.66	8.83	-79.89
CC(C)[C@@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C[C@H]1C(=O)[O-]	REAL300007555096	0	49	0.0	-78.24	367.58	9.68	-68.56
CC(C)[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C(=O)[O-]	REAL300007555097	0	56	0.0	-54.58	400.87	11.65	-42.93
CC(C)[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C(=O)[O-]	REAL300007555097	1	56	0.0	-56.82	411.20	11.55	-45.27
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)CC1	REAL300007555164	0	48	0.0	-64.30	360.08	9.23	-55.07
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007555166	0	52	0.0	-52.62	366.58	9.30	-43.32
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007555166	1	52	0.0	-46.50	375.75	9.61	-36.89
CC(C)[C@@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C[C@H]1C(=O)[O-]	REAL300007555168	0	49	0.0	-57.09	363.30	10.05	-47.04
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)CC1	REAL300007555170	0	54	0.0	-63.10	392.43	7.29	-55.81
CCN1CC[NH+](CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)CC1	REAL300007555170	1	54	0.0	-61.96	391.50	7.19	-54.77
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1)[NH+]1CCCCC1	REAL300007555172	0	55	0.0	-52.22	380.53	10.23	-41.99
CC(C)[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C[C@H]1C(=O)[O-]	REAL300007555173	1	49	0.0	-50.03	358.56	9.71	-40.32
CC(C)[C@@H]1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C(=O)[O-]	REAL300007555177	0	54	0.0	-60.40	405.89	8.11	-52.29
CC(C)[C@@H]1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C(=O)[O-]	REAL300007555177	1	54	0.0	-72.34	401.90	8.18	-64.16
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007555183	1	50	0.0	-54.95	379.74	9.82	-45.13
CC(C)[C@@H]1CN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C[C@H]1C(=O)[O-]	REAL300007555184	0	52	0.0	-64.99	390.32	10.52	-54.47
CC(C)[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@H]1C(=O)[O-]	REAL300007555189	0	53	0.0	-48.43	370.51	9.94	-38.49
CC(C)[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@H]1C(=O)[O-]	REAL300007555189	1	53	0.0	-48.11	371.59	9.95	-38.16
CC(C)[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C[C@H]1C(=O)[O-]	REAL300007555216	1	54	0.0	-51.68	406.42	11.44	-40.24
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1)[NH+]1CC(C)OC(C)C1	REAL300007555217	1	59	0.0	-52.54	403.67	8.55	-43.99
CC(C)[C@@H]1CN(C(=O)C(C)[NH+]2CCCCCC2)C[C@H]1C(=O)[O-]	REAL300007555218	0	52	0.0	-50.40	357.93	8.85	-41.55
CC(C)[C@@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C[C@H]1C(=O)[O-]	REAL300007555253	1	54	0.0	-61.93	398.14	9.93	-52.00
CC(C)[C@@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C[C@H]1C(=O)[O-]	REAL300007555253	1	54	0.0	-73.54	399.67	10.04	-63.50
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)O1	REAL300007555311	0	52	0.0	-56.97	382.36	9.46	-47.51
CC(C)[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C(=O)[O-]	REAL300007555312	0	52	0.0	-63.50	384.88	9.93	-53.57
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)CC2)[NH+]=C1	REAL300007555314	1	55	0.0	-58.52	404.13	9.29	-49.23
CC(C)[C@@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007555315	1	49	0.0	-61.28	370.82	10.22	-51.06
CC(C)[C@@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300007555315	1	49	0.0	-61.15	370.77	10.23	-50.92
CC(C)[C@@H]1CN(C(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C[C@H]1C(=O)[O-]	REAL300007555319	0	61	0.0	-68.17	436.70	10.08	-58.09
CC(C)[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@H]1C(=O)[O-]	REAL300007555334	1	44	0.0	-71.08	344.26	7.63	-63.45
CC(C)[C@@H]1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C[C@H]1C(=O)[O-]	REAL300007555363	1	45	0.0	-74.26	350.25	7.92	-66.34
CC(C)[C@@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C[C@H]1C(=O)[O-]	REAL300007555368	0	56	0.0	-63.20	413.42	11.71	-51.49
CC(C)[C@@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C[C@H]1C(=O)[O-]	REAL300007555368	1	56	0.0	-63.17	413.95	11.71	-51.46
CC(C)[C@@H]1CN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C[C@H]1C(=O)[O-]	REAL300007555392	0	57	0.0	-69.84	435.62	11.10	-58.74
CC(C)[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(=O)[O-]	REAL300007555409	0	50	0.0	-69.02	375.89	8.83	-60.19
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@H]1C(=O)[O-]	REAL300007555415	0	53	0.0	-57.43	392.25	10.18	-47.25
CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300007555456	0	55	0.0	-58.72	401.67	9.61	-49.11
CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300007555456	1	55	0.0	-56.22	403.38	9.68	-46.54
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C1	REAL300007555601	0	52	0.0	-54.44	369.63	9.32	-45.12
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C1	REAL300007555601	1	52	0.0	-52.52	363.46	9.47	-43.05
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007555634	0	52	0.0	-44.77	362.25	9.80	-34.97
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007555634	1	52	0.0	-50.40	378.26	9.72	-40.68
CC(C)[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1C(=O)[O-]	REAL300007555637	0	50	0.0	-51.06	363.49	5.72	-45.34
CC(C)[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C[C@H]1C(=O)[O-]	REAL300007555732	0	57	0.0	-67.43	420.98	11.90	-55.53
CC(C)[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C[C@H]1C(=O)[O-]	REAL300007555732	1	57	0.0	-61.06	421.00	11.86	-49.20
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C[C@H]1C(=O)[O-]	REAL300007555771	1	56	0.0	-54.82	405.84	11.45	-43.37
CC(C)[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C[C@H]1C(=O)[O-]	REAL300007555771	1	56	0.0	-47.62	401.91	11.28	-36.34
CC(C)[C@@H]1CN(C(=O)C2CCC[N@@H+](C(C)C)C2)C[C@H]1C(=O)[O-]	REAL300007555859	0	52	0.0	-71.81	372.93	9.34	-62.47
CC(C)[C@@H]1CN(C(=O)C2CCC[N@H+](C(C)C)C2)C[C@H]1C(=O)[O-]	REAL300007555859	1	52	0.0	-57.70	369.20	9.16	-48.54
CC(C)[C@@H]1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300007555860	0	46	0.0	-64.70	354.55	8.22	-56.48
CC(C)[C@@H]1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300007555860	1	46	0.0	-67.07	340.98	8.51	-58.56
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)N1	REAL300007555885	1	47	0.0	-53.05	360.96	7.84	-45.21
CC(C)[C@@H]1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C[C@H]1C(=O)[O-]	REAL300007556367	0	52	0.0	-78.91	390.07	10.51	-68.40
CC(C)[C@@H]1CN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C[C@H]1C(=O)[O-]	REAL300007556374	0	53	0.0	-67.20	393.11	9.39	-57.81
CC(C)[C@@H]1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C[C@H]1C(=O)[O-]	REAL300007556464	0	59	0.0	-65.84	434.03	12.61	-53.23
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C[C@H]1C(=O)[O-]	REAL300007556466	1	57	0.0	-85.63	422.77	9.93	-75.70
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C[C@H]1C(=O)[O-]	REAL300007556466	1	57	0.0	-68.00	410.74	9.79	-58.21
CC(C)[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@H]1C(=O)[O-]	REAL300007556509	0	52	0.0	-60.16	363.09	9.08	-51.08
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C1	REAL300007556575	0	55	0.0	-59.92	397.12	10.25	-49.67
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C1	REAL300007556575	1	55	0.0	-59.92	397.12	10.25	-49.67
CC(C)[C@@H]1CN(C(=O)C2=CC=C(CN(C)C)O2)C[C@H]1C(=O)[O-]	REAL300007556581	0	46	0.0	-57.56	351.70	8.40	-49.16
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C[C@H]1C(=O)[O-]	REAL300007556581	1	46	0.0	-57.56	351.70	8.40	-49.16
CC(C)[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C[C@H]1C(=O)[O-]	REAL300007556587	0	55	0.0	-80.16	363.32	8.72	-71.44
CC(C)[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C[C@H]1C(=O)[O-]	REAL300007556587	1	55	0.0	-80.16	363.32	8.72	-71.44
CC(C)[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@H]1C(=O)[O-]	REAL300007556590	0	48	0.0	-45.34	339.00	9.67	-35.67
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300007557635	0	57	0.0	-86.44	433.98	13.43	-73.01
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300007558207	0	54	0.0	-73.96	414.84	12.85	-61.11
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300007558207	1	54	0.0	-64.10	406.07	12.06	-52.04
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300007559064	0	51	0.0	-69.25	382.08	11.12	-58.13
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300007559090	0	48	0.0	-70.45	367.19	10.63	-59.82
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300007559090	1	48	0.0	-67.22	360.94	10.26	-56.96
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=CC=CC=C4C(=O)[O-])C3)CN12	REAL300007559096	1	49	0.0	-63.41	379.48	10.85	-52.56
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300007559097	0	57	0.0	-69.79	430.74	13.14	-56.65
C[N@@H+]1CCCCC1C(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300007559176	0	47	0.0	-74.56	342.38	9.31	-65.25
C[N@H+]1CCCCC1C(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300007559176	1	47	0.0	-66.89	349.03	9.70	-57.19
CC(C(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300007559177	1	52	0.0	-75.35	381.86	7.91	-67.44
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300007559218	0	47	0.0	-74.66	354.90	9.88	-64.78
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300007559218	1	47	0.0	-77.44	345.53	9.57	-67.87
C[NH+]1CCC(C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300007559302	0	47	0.0	-82.24	357.81	9.85	-72.39
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300007559331	0	42	0.0	-75.32	348.00	11.70	-63.62
C[NH+](C)CC1(C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])C2)CCCCC1	REAL300007559366	0	56	0.0	-83.45	382.83	11.14	-72.31
C[N@H+](CCC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])C1)C1CCCCC1	REAL300007559371	0	56	0.0	-79.09	412.08	11.96	-67.13
C[N@@H+](CCC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])C1)C1CCCCC1	REAL300007559371	1	56	0.0	-77.82	412.26	11.96	-65.86
C[N@@H+]1CCCC1C(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300007559387	0	44	0.0	-71.83	336.83	9.11	-62.72
C[N@H+]1CCCC1C(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300007559387	1	44	0.0	-71.98	335.94	9.19	-62.79
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300007559392	1	54	0.0	-74.62	413.61	12.36	-62.26
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300007559392	1	54	0.0	-74.65	419.67	12.87	-61.78
C[NH+]1CCC(C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300007559443	0	47	0.0	-82.24	357.81	9.85	-72.39
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300007559447	0	50	0.0	-87.23	397.52	10.49	-76.74
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300007559467	0	57	0.0	-61.74	397.69	11.72	-50.02
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300007559467	1	57	0.0	-73.02	406.73	11.99	-61.03
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C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300007581181	0	47	0.0	-78.72	369.46	7.58	-71.14
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300007593778	0	48	0.0	-97.64	400.35	7.05	-90.59
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007594300	0	47	0.0	-81.25	397.99	8.08	-73.17
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CS2)C=C1	REAL300007594850	0	44	0.0	-73.50	376.40	6.67	-66.83
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)=C1	REAL300007598031	0	51	0.0	-85.89	421.02	7.30	-78.59
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])CC(C)C	REAL300007598510	0	55	0.0	-66.04	423.84	7.21	-58.83
CC(C)CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007598514	0	49	0.0	-77.54	385.53	7.97	-69.57
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007600317	0	53	0.0	-66.25	430.00	7.24	-59.01
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007600322	0	47	0.0	-61.97	394.22	7.99	-53.98
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C1CC1	REAL300007600940	0	50	0.0	-82.51	397.06	6.60	-75.91
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CC2)C=C1	REAL300007600944	0	44	0.0	-73.84	356.84	7.21	-66.63
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])CC1CC1	REAL300007601532	0	53	0.0	-83.29	417.97	7.39	-75.90
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])CC2CC2)C=C1	REAL300007601536	0	47	0.0	-73.33	384.56	8.34	-64.99
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007603234	0	47	0.0	-81.25	397.99	8.08	-73.17
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300007603786	0	53	0.0	-71.73	426.26	8.68	-63.05
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300007603791	0	47	0.0	-83.33	383.27	9.06	-74.27
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300007604610	0	48	0.0	-86.95	379.59	8.37	-78.58
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=C1	REAL300007611327	0	48	0.0	-93.92	380.64	8.29	-85.63
CCOCCCN(CC(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007611854	0	56	0.0	-77.12	443.08	8.01	-69.11
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])CC2CCCO2)C=C1	REAL300007612357	0	51	0.0	-81.92	406.80	7.20	-74.72
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CCOCC1	REAL300007614286	0	54	0.0	-88.67	411.33	5.22	-83.45
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300007614291	0	48	0.0	-64.72	373.87	6.00	-58.72
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007614901	0	51	0.0	-75.82	395.36	6.48	-69.34
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007616054	0	47	0.0	-62.25	378.57	4.77	-57.48
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007616058	0	41	0.0	-61.10	344.46	5.64	-55.46
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CCOCC1	REAL300007616570	0	54	0.0	-52.92	393.33	3.79	-49.13
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)C=C1	REAL300007616575	0	48	0.0	-54.38	359.37	4.81	-49.57
CC(C(=O)[O-])C(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=CC=C1	REAL300007632518	0	50	0.0	-61.66	408.44	8.25	-53.41
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300007636418	0	50	0.0	-81.28	412.19	5.24	-76.04
CC1=C(C(=O)[O-])C=C(CNS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)O1	REAL300007636423	0	44	0.0	-81.77	374.10	5.95	-75.82
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007638224	0	55	0.0	-82.12	437.87	6.52	-75.60
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007638228	0	49	0.0	-79.49	399.78	7.23	-72.26
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1CCC(C(=O)[O-])CC1	REAL300007638856	0	53	0.0	-84.36	406.15	5.92	-78.44
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300007638860	0	47	0.0	-76.61	372.27	6.43	-70.18
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCSCC(=O)[O-]	REAL300007642283	0	47	0.0	-79.55	396.40	4.74	-74.81
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCSCC(=O)[O-])C=C1	REAL300007642287	0	41	0.0	-76.12	358.37	5.46	-70.66
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300007642827	0	50	0.0	-76.45	419.90	8.55	-67.90
CC1=CC=CC(CC(CNS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300007643239	0	53	0.0	-69.74	424.69	9.05	-60.69
CC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300007643679	0	53	0.0	-69.91	424.70	9.06	-60.85
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1CCC(C(=O)[O-])CC1	REAL300007644175	0	53	0.0	-84.36	406.15	5.92	-78.44
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300007644179	0	47	0.0	-76.61	372.27	6.43	-70.18
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300007644770	0	50	0.0	-84.22	411.44	8.28	-75.94
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCOC(CC(=O)[O-])C1	REAL300007646780	0	51	0.0	-84.00	400.34	5.23	-78.77
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCOC(CC(=O)[O-])C2)C=C1	REAL300007646784	0	45	0.0	-74.10	364.54	5.93	-68.17
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(CC(C)C)C(=O)[O-]	REAL300007647412	0	55	0.0	-72.07	430.85	6.08	-65.99
CC(C)CC(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007647416	0	49	0.0	-87.05	393.35	6.78	-80.27
CCCCCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007654252	0	55	0.0	-85.88	434.28	6.45	-79.43
CCCCCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007654256	0	49	0.0	-84.61	398.12	7.25	-77.36
O=C([O-])C1CCCN1S(=O)(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300007658621	1	53	0.0	-84.12	418.48	5.70	-78.42
CN(CCC(=O)[O-])S(=O)(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300007658626	1	52	0.0	-79.95	417.84	4.77	-75.18
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300007658636	1	53	0.0	-64.75	420.79	5.25	-59.50
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300007668955	0	44	0.0	-61.85	379.55	7.54	-54.31
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300007669473	0	50	0.0	-72.88	413.29	6.55	-66.33
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300007669478	0	44	0.0	-66.28	375.29	7.27	-59.01
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007670024	0	47	0.0	-71.88	400.37	8.08	-63.80
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300007670480	0	53	0.0	-64.57	430.38	7.18	-57.39
CC1=CC=C(C(NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300007670485	0	47	0.0	-63.53	392.13	7.86	-55.67
CC1=CC=CC=C1[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007672391	0	50	0.0	-81.75	395.27	8.33	-73.42
COCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007672961	0	53	0.0	-86.60	404.67	3.43	-83.17
COCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007672965	0	47	0.0	-86.76	364.87	4.41	-82.35
CCC(CC)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007673581	0	55	0.0	-69.72	388.23	5.04	-64.68
CCC(CC)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007673585	0	49	0.0	-71.87	356.10	6.27	-65.60
CCCCCCC(C)(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007677269	0	55	0.0	-79.92	413.82	7.95	-71.97
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007677754	0	48	0.0	-86.33	402.61	6.63	-79.70
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300007678317	0	47	0.0	-87.69	393.95	4.79	-82.90
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300007678321	0	41	0.0	-88.30	355.91	5.49	-82.81
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(CCC(=O)[O-])CC1	REAL300007678935	0	56	0.0	-75.93	427.35	7.53	-68.40
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300007678940	0	50	0.0	-84.43	391.77	8.36	-76.07
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300007680388	0	48	0.0	-81.54	391.16	9.08	-72.46
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300007680966	0	53	0.0	-85.23	402.35	6.50	-78.73
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300007680970	0	47	0.0	-71.07	364.89	7.14	-63.93
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC1=CC=CC(C(=O)[O-])=C1	REAL300007681589	0	53	0.0	-92.54	432.64	7.06	-85.48
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007681594	0	47	0.0	-89.63	394.55	7.76	-81.87
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCCCCCC(=O)[O-]	REAL300007682204	0	58	0.0	-82.88	459.37	7.31	-75.57
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300007682209	0	52	0.0	-81.87	421.28	8.01	-73.86
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCCCCCC(=O)[O-]	REAL300007682829	0	58	0.0	-82.88	459.37	7.31	-75.57
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300007682834	0	52	0.0	-81.87	421.28	8.01	-73.86
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300007683402	0	53	0.0	-87.77	426.17	10.45	-77.32
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007683894	0	56	0.0	-81.53	428.36	7.54	-73.99
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007683899	0	50	0.0	-80.22	391.81	8.33	-71.89
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1	REAL300007685050	0	53	0.0	-81.75	398.19	8.25	-73.50
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007685656	0	53	0.0	-81.82	409.46	7.52	-74.30
CC(CN(C1CC1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007685660	0	47	0.0	-77.61	368.61	7.98	-69.63
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300007688458	0	47	0.0	-87.69	393.95	4.79	-82.90
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300007688462	0	41	0.0	-88.30	355.91	5.49	-82.81
C=CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007690088	0	47	0.0	-71.19	379.46	6.06	-65.13
C=CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007690092	0	41	0.0	-85.35	345.66	6.89	-78.46
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300007690583	0	56	0.0	-57.78	397.62	6.90	-50.88
CN(C1(C(=O)[O-])CCCCC1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007690588	0	50	0.0	-94.76	361.46	8.30	-86.46
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300007691148	0	50	0.0	-63.61	414.67	9.42	-54.19
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300007691587	0	56	0.0	-84.50	404.42	5.97	-78.53
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C)CCCCC2C(=O)[O-])C=C1	REAL300007691592	0	50	0.0	-70.10	368.09	7.01	-63.09
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CCC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300007692159	0	53	0.0	-63.62	429.15	9.36	-54.26
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCCOC1	REAL300007692633	0	54	0.0	-62.91	423.50	4.34	-58.57
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCCOC2)C=C1	REAL300007692638	0	48	0.0	-83.76	378.30	4.81	-78.95
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCSCC1	REAL300007709105	0	51	0.0	-70.93	384.50	5.49	-65.44
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300007709110	0	45	0.0	-80.61	347.91	6.62	-73.99
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300007709710	0	51	0.0	-78.98	404.39	7.99	-70.99
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300007709715	0	45	0.0	-83.12	368.92	8.76	-74.36
CCC(CC)(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007712028	0	52	0.0	-86.66	383.87	5.07	-81.59
CCC(CC)(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007712032	0	46	0.0	-54.34	343.54	5.58	-48.76
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007712619	0	51	0.0	-90.74	384.81	5.21	-85.53
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C=C1	REAL300007712623	0	45	0.0	-95.15	347.81	6.14	-89.01
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300007714212	0	47	0.0	-67.50	400.49	5.57	-61.93
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1	REAL300007714217	0	41	0.0	-62.27	362.50	6.27	-56.00
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007714780	0	50	0.0	-95.46	392.69	8.82	-86.64
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300007717010	0	53	0.0	-60.55	415.00	8.16	-52.39
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300007717612	0	46	0.0	-76.97	386.20	4.67	-72.30
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300007717617	0	40	0.0	-76.17	350.28	5.43	-70.74
CC1=NN(CC(=O)[O-])C(C)=C1CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007718333	0	50	0.0	-83.52	416.36	6.16	-77.36
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C(C)C	REAL300007718859	0	55	0.0	-71.33	397.44	4.96	-66.37
CC(C)C(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007718863	0	49	0.0	-73.32	357.20	5.89	-67.43
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CCOC1	REAL300007719418	0	51	0.0	-84.42	382.08	3.03	-81.39
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCOC2)C=C1	REAL300007719422	0	45	0.0	-87.24	348.29	3.98	-83.26
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CCCOC1	REAL300007720046	0	54	0.0	-54.29	395.50	3.76	-50.53
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCCOC2)C=C1	REAL300007720051	0	48	0.0	-55.71	361.12	4.77	-50.94
CC1=CC=C(C(NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1C	REAL300007720622	0	50	0.0	-64.32	409.21	8.40	-55.92
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300007721338	0	56	0.0	-74.13	420.81	6.70	-67.43
CC(C)C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300007721343	0	50	0.0	-71.61	383.23	7.35	-64.26
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007721898	0	47	0.0	-80.88	397.40	7.82	-73.06
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2CCOCC2)C=C1	REAL300007726253	0	51	0.0	-87.03	404.33	5.47	-81.56
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007726828	0	51	0.0	-76.49	378.78	3.27	-73.22
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300007726832	0	45	0.0	-88.04	340.60	4.28	-83.76
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007728043	0	43	0.0	-72.41	346.93	3.01	-69.40
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1	REAL300007728046	0	37	0.0	-71.61	309.30	3.91	-67.70
CC(C(=O)[O-])N(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007728472	0	50	0.0	-86.48	391.54	8.95	-77.53
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300007728959	0	50	0.0	-86.48	413.30	10.08	-76.40
COC1=CC=C(C(NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300007729754	0	48	0.0	-83.49	399.52	6.37	-77.12
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300007730200	0	44	0.0	-78.58	372.02	6.76	-71.82
C=CCOCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007730759	0	51	0.0	-88.51	416.35	4.00	-84.51
C=CCOCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007730763	0	45	0.0	-88.34	380.35	4.80	-83.54
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CC(F)F)C(=O)[O-]	REAL300007731357	0	46	0.0	-80.05	380.91	4.55	-75.50
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300007731361	0	40	0.0	-81.90	344.99	5.32	-76.58
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C)CC1C(=O)[O-]	REAL300007743825	0	53	0.0	-88.88	398.79	7.63	-81.25
CC1CCN(S(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300007743829	0	47	0.0	-76.95	359.82	8.19	-68.76
CN(C1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007744401	0	48	0.0	-81.49	391.01	8.44	-73.05
CC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007745269	0	51	0.0	-80.21	420.19	7.93	-72.28
CC1=CC(C(NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=CC=C1F	REAL300007745708	0	47	0.0	-59.35	395.51	7.85	-51.50
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300007746195	0	49	0.0	-84.70	405.92	6.93	-77.77
CC1=CC(C(NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300007746566	0	50	0.0	-64.18	413.55	8.53	-55.65
CC1=CC=CC(C(NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1C	REAL300007747190	0	50	0.0	-63.35	400.95	8.21	-55.14
COC1=CC=C(C(NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1F	REAL300007747604	0	48	0.0	-85.76	405.45	6.48	-79.28
CC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007750042	0	53	0.0	-57.54	416.62	8.86	-48.68
CC(C(=O)[O-])N(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007750492	0	50	0.0	-86.48	391.54	8.95	-77.53
CCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007750963	0	50	0.0	-88.05	380.08	8.34	-79.71
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C=C1	REAL300007751643	0	51	0.0	-69.56	414.11	7.65	-61.91
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])S1	REAL300007755229	0	47	0.0	-86.50	401.88	5.47	-81.03
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])S2)C=C1	REAL300007755234	0	41	0.0	-86.93	363.79	6.19	-80.74
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756500	1	51	0.0	-73.15	397.72	8.37	-64.78
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756500	1	51	0.0	-71.35	397.43	8.45	-62.90
CC(C)(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756501	1	51	0.0	-75.36	397.77	8.34	-67.02
CC(C)(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756501	1	51	0.0	-68.77	397.44	8.44	-60.33
CC(C)(CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756502	1	48	0.0	-51.68	381.04	8.15	-43.53
CC(C)(CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756502	1	48	0.0	-49.19	380.96	8.22	-40.97
CC(C)(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756503	1	51	0.0	-75.36	397.77	8.34	-67.02
CC(C)(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756503	1	51	0.0	-68.77	397.44	8.44	-60.33
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756504	1	51	0.0	-73.15	397.72	8.37	-64.78
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756504	1	51	0.0	-71.35	397.43	8.45	-62.90
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756505	1	51	0.0	-52.28	387.11	9.23	-43.05
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007756505	1	51	0.0	-50.06	386.56	9.28	-40.78
CC(C)(CNS(=O)(=O)C1=CNC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756506	1	49	0.0	-73.04	386.29	6.06	-66.98
CC(C)(CNS(=O)(=O)C1=CNC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756506	1	49	0.0	-67.90	385.95	6.16	-61.74
CC(C)(CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756507	1	51	0.0	-74.38	402.32	6.47	-67.91
CC(C)(CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756507	1	51	0.0	-64.99	401.77	6.55	-58.44
CC(C)(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756509	1	48	0.0	-73.32	375.18	5.30	-68.02
CC(C)(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007756509	1	48	0.0	-61.47	373.55	5.47	-56.00
CC(C)(CNS(=O)(=O)N1CCCC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756510	1	56	0.0	-68.40	415.58	7.52	-60.88
CC(C)(CNS(=O)(=O)N1CCCC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756510	1	56	0.0	-64.21	413.40	7.49	-56.72
CC(C)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756511	1	56	0.0	-79.38	414.81	7.49	-71.89
CC(C)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756511	1	56	0.0	-59.38	414.09	7.53	-51.85
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756512	1	51	0.0	-52.28	387.11	9.23	-43.05
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007756512	1	51	0.0	-50.06	386.56	9.28	-40.78
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756513	1	48	0.0	-68.16	382.51	6.73	-61.43
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756513	1	48	0.0	-66.76	381.97	6.79	-59.97
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)O1	REAL300007756514	1	51	0.0	-71.55	400.75	7.19	-64.36
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)O1	REAL300007756514	1	51	0.0	-68.84	402.02	7.33	-61.51
CC(C)(CNS(=O)(=O)CCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756515	0	50	0.0	-77.64	383.76	7.00	-70.64
CC(C)(CNS(=O)(=O)CCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007756515	1	50	0.0	-77.17	383.45	7.06	-70.11
CC(C)(CNS(=O)(=O)N1CCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756516	1	53	0.0	-80.16	399.62	7.22	-72.94
CC(C)(CNS(=O)(=O)N1CCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007756516	1	53	0.0	-79.34	399.28	7.27	-72.07
CC(C)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756517	1	56	0.0	-79.38	414.81	7.49	-71.89
CC(C)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756517	1	56	0.0	-59.38	414.09	7.53	-51.85
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756518	1	48	0.0	-68.16	382.51	6.73	-61.43
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756518	1	48	0.0	-66.76	381.97	6.79	-59.97
CC(C)(CNS(=O)(=O)CCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756519	0	50	0.0	-77.64	383.76	7.00	-70.64
CC(C)(CNS(=O)(=O)CCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007756519	1	50	0.0	-77.17	383.45	7.06	-70.11
CC(C)(CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756521	1	48	0.0	-74.05	389.42	7.37	-66.68
CC(C)(CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756521	1	48	0.0	-68.27	389.10	7.47	-60.80
CC(C)(CNS(=O)(=O)C1=CC(C(=O)[O-])=CO1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756522	1	48	0.0	-71.41	382.79	6.47	-64.94
CC(C)(CNS(=O)(=O)C1=CC(C(=O)[O-])=CO1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756522	1	48	0.0	-69.02	382.21	6.53	-62.49
CC1=C(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)C=C(C(=O)[O-])O1	REAL300007756523	1	51	0.0	-75.71	401.73	7.50	-68.21
CC1=C(S(=O)(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)C=C(C(=O)[O-])O1	REAL300007756523	1	51	0.0	-76.19	401.73	7.55	-68.64
CC(C)(CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756524	1	50	0.0	-65.98	392.93	6.55	-59.43
CC(C)(CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300007756524	1	50	0.0	-67.48	392.62	6.63	-60.85
CC(C)(CNS(=O)(=O)C1=CSN=C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300007756525	1	47	0.0	-56.67	375.25	6.62	-50.05
CC(C)(CNS(=O)(=O)C1=CSN=C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300007756525	1	47	0.0	-54.37	374.91	6.69	-47.68
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O=C([O-])C1CCCCN1S(=O)(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300007831612	1	54	0.0	-59.88	395.83	8.59	-51.29
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=NN1	REAL300007831613	0	46	0.0	-69.19	379.82	5.41	-63.78
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=NN1	REAL300007831613	1	46	0.0	-67.48	375.24	5.10	-62.38
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300007831614	0	51	0.0	-81.96	396.56	8.15	-73.81
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300007831614	1	51	0.0	-79.49	391.92	8.01	-71.48
O=C([O-])C1=CNN=C1S(=O)(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300007831615	0	46	0.0	-71.04	372.75	6.21	-64.83
O=C([O-])C1=CNN=C1S(=O)(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300007831615	1	46	0.0	-61.30	365.07	5.75	-55.55
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300007831616	0	49	0.0	-81.25	375.88	8.95	-72.30
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300007831616	1	49	0.0	-84.64	375.30	8.76	-75.88
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300007831617	0	48	0.0	-82.59	383.18	8.54	-74.05
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300007831617	1	48	0.0	-83.13	377.44	8.07	-75.06
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007841272	0	47	0.0	-67.83	359.48	5.78	-62.05
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300007841273	0	47	0.0	-73.98	359.45	5.76	-68.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841274	0	50	0.0	-72.18	375.44	6.73	-65.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841275	0	51	0.0	-81.28	369.63	5.42	-75.86
CC1=CC=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C1C(=O)[O-]	REAL300007841276	0	50	0.0	-73.29	375.47	6.29	-67.00
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=C(C(=O)[O-])SC=C2)CC1	REAL300007841277	0	44	0.0	-56.83	343.82	5.59	-51.24
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300007841278	0	47	0.0	-73.98	359.45	5.76	-68.22
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007841279	0	47	0.0	-67.83	359.48	5.78	-62.05
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC1	REAL300007841280	0	47	0.0	-58.05	348.82	6.62	-51.43
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CNC(C(=O)[O-])=C2)CC1	REAL300007841281	0	45	0.0	-70.65	348.03	3.44	-67.21
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CC1	REAL300007841282	0	47	0.0	-70.33	364.13	3.86	-66.47
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)CC1	REAL300007841283	0	44	0.0	-63.88	351.37	4.91	-58.97
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300007841284	0	44	0.0	-56.99	331.79	2.59	-54.40
CC(C)(C)[NH+]1CCC(NS(=O)(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300007841285	0	52	0.0	-64.48	376.13	4.97	-59.51
CC(C)(C)[NH+]1CCC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300007841286	0	52	0.0	-59.45	378.35	4.92	-54.53
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC1	REAL300007841287	0	47	0.0	-58.05	348.82	6.62	-51.43
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])CC1	REAL300007841288	0	47	0.0	-53.09	366.16	7.16	-45.93
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300007841289	0	44	0.0	-62.86	345.32	4.22	-58.64
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)O1	REAL300007841290	0	47	0.0	-68.56	363.39	4.67	-63.89
CC(C)(C)[NH+]1CCC(NS(=O)(=O)CCCC(=O)[O-])CC1	REAL300007841291	0	46	0.0	-73.63	347.01	4.47	-69.16
CC(C)(C)[NH+]1CCC(NS(=O)(=O)N2CCCC2C(=O)[O-])CC1	REAL300007841292	0	49	0.0	-76.37	358.53	5.00	-71.37
CC(C)(C)[NH+]1CCC(NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007841293	0	50	0.0	-85.65	382.45	6.50	-79.15
CC(C)(C)[NH+]1CCC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300007841294	0	52	0.0	-59.45	378.35	4.92	-54.53
CC(C)(C)[NH+]1CCC(NS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300007841295	0	50	0.0	-80.73	382.46	6.48	-74.25
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300007841296	0	44	0.0	-62.86	345.32	4.22	-58.64
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300007841297	0	51	0.0	-70.17	392.56	6.11	-64.06
CC(C)(C)[NH+]1CCC(NS(=O)(=O)CCCC(=O)[O-])CC1	REAL300007841298	0	46	0.0	-73.63	347.01	4.47	-69.16
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007841299	0	44	0.0	-69.89	352.35	4.81	-65.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)=C1C	REAL300007841300	0	53	0.0	-75.21	393.70	7.17	-68.04
CC1=CC=CC(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)=C1C(=O)[O-]	REAL300007841301	0	50	0.0	-62.03	377.74	6.86	-55.17
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)=C1	REAL300007841302	0	54	0.0	-75.77	414.50	5.47	-70.30
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)CC1	REAL300007841303	0	44	0.0	-71.75	351.13	4.81	-66.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841304	0	50	0.0	-64.97	370.30	6.45	-58.52
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)CC1	REAL300007841305	0	50	0.0	-59.91	388.62	8.12	-51.79
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300007841306	0	50	0.0	-70.07	381.67	6.54	-63.53
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C1[N+](=O)[O-]	REAL300007841307	0	52	0.0	-64.76	399.73	6.86	-57.90
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)CC1	REAL300007841308	0	44	0.0	-69.03	347.70	3.99	-65.04
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300007841309	0	50	0.0	-74.45	383.65	6.60	-67.85
CC1=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C(C(=O)[O-])O1	REAL300007841310	0	47	0.0	-70.62	365.48	4.93	-65.69
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300007841311	0	46	0.0	-67.07	354.62	3.93	-63.14
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CSN=C2C(=O)[O-])CC1	REAL300007841312	0	43	0.0	-61.82	338.17	4.04	-57.78
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=C(C(=O)[O-])N=CS2)CC1	REAL300007841313	0	43	0.0	-84.79	344.36	3.52	-81.27
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])CC1	REAL300007841314	0	46	0.0	-63.43	346.54	4.86	-58.57
CC(C)(C)[NH+]1CCC(NS(=O)(=O)CCCCCC(=O)[O-])CC1	REAL300007841315	0	52	0.0	-76.39	390.01	6.04	-70.35
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300007841316	0	46	0.0	-68.71	355.29	3.94	-64.77
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CC1	REAL300007841317	0	47	0.0	-68.01	376.17	6.27	-61.74
COC1=CC=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C1C(=O)[O-]	REAL300007841318	0	51	0.0	-68.47	386.72	5.83	-62.64
CC1=CC(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)=CC=C1C(=O)[O-]	REAL300007841319	0	50	0.0	-66.71	375.43	6.31	-60.40
CN(CCC(=O)[O-])S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841320	0	48	0.0	-69.38	359.71	4.00	-65.38
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)CC1	REAL300007841321	0	52	0.0	-71.63	393.26	6.21	-65.42
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)=C1	REAL300007841322	0	54	0.0	-75.77	414.50	5.47	-70.30
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CC1	REAL300007841323	0	47	0.0	-68.01	376.17	6.27	-61.74
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841324	0	47	0.0	-59.99	360.36	6.46	-53.53
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841325	0	50	0.0	-67.20	389.44	7.14	-60.06
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3CC[NH+](C(C)(C)C)CC3)C=C21	REAL300007841326	0	53	0.0	-71.83	406.36	7.11	-64.72
CC(C)(C)[NH+]1CCC(NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007841327	0	50	0.0	-85.65	382.45	6.50	-79.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841328	0	51	0.0	-81.28	369.63	5.42	-75.86
CC1=CC=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C1C(=O)[O-]	REAL300007841329	0	50	0.0	-73.29	375.47	6.29	-67.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841330	0	50	0.0	-72.18	375.44	6.73	-65.45
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841331	0	51	0.0	-61.44	394.99	5.83	-55.61
CC(C)(C)[NH+]1CCC(NS(=O)(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300007841332	0	50	0.0	-65.24	371.87	5.73	-59.51
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300007841333	0	50	0.0	-74.45	383.65	6.60	-67.85
COC1=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)SC(C(=O)[O-])=C1	REAL300007841334	0	48	0.0	-64.90	383.36	4.23	-60.67
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)CC1	REAL300007841335	0	52	0.0	-67.11	396.25	6.44	-60.67
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)CC1	REAL300007841336	0	54	0.0	-77.25	405.68	7.65	-69.60
CCC1=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C(C(=O)[O-])O1	REAL300007841337	0	50	0.0	-70.32	384.81	5.75	-64.57
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CC1	REAL300007841338	0	49	0.0	-55.81	378.03	7.32	-48.49
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)CC1	REAL300007841339	0	50	0.0	-75.63	397.33	7.26	-68.37
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])CC1	REAL300007841340	0	49	0.0	-49.57	377.63	7.31	-42.26
CC1=NC=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C1C(=O)[O-]	REAL300007841341	0	49	0.0	-59.00	370.87	4.49	-54.51
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841342	0	51	0.0	-69.15	369.63	5.43	-63.72
COC1=CC(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)=CC=C1C(=O)[O-]	REAL300007841343	0	51	0.0	-74.35	386.68	5.84	-68.51
COC1=CC=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C(CC(=O)[O-])=C1	REAL300007841344	0	54	0.0	-75.22	402.39	6.26	-68.96
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)CC1	REAL300007841345	0	50	0.0	-71.23	387.02	6.58	-64.65
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300007841346	0	56	0.0	-74.37	416.40	7.51	-66.86
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841347	0	47	0.0	-57.29	349.95	4.01	-53.28
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300007841348	0	53	0.0	-69.85	396.84	8.02	-61.83
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)=C1	REAL300007841349	0	47	0.0	-63.30	363.25	4.80	-58.50
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300007841350	0	47	0.0	-62.34	371.97	6.14	-56.20
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)CC1	REAL300007841351	0	44	0.0	-69.55	337.61	4.69	-64.86
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2(C(=O)[O-])CCC2)CC1	REAL300007841352	0	47	0.0	-52.33	337.56	4.76	-47.57
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)=C1	REAL300007841353	0	51	0.0	-56.79	378.83	5.95	-50.84
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300007841354	0	44	0.0	-56.99	331.79	2.59	-54.40
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841355	0	47	0.0	-57.29	349.95	4.01	-53.28
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841357	0	54	0.0	-71.20	406.92	5.97	-65.23
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300007841358	0	46	0.0	-59.77	355.57	3.86	-55.91
CC(C)(C)[NH+]1CCC(NS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CC1	REAL300007841359	0	50	0.0	-73.78	372.42	6.92	-66.86
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007841360	0	44	0.0	-64.66	360.07	4.50	-60.16
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300007841361	0	53	0.0	-68.85	396.32	8.00	-60.85
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841362	0	54	0.0	-70.06	410.99	6.55	-63.51
COC1=CC=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C(C(=O)[O-])=C1	REAL300007841363	0	51	0.0	-59.81	379.25	5.95	-53.86
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300007841364	0	46	0.0	-67.26	355.55	4.00	-63.26
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)CC1	REAL300007841365	0	44	0.0	-61.34	343.74	2.07	-59.27
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300007841366	0	47	0.0	-69.90	366.06	3.51	-66.39
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)CC1	REAL300007841367	0	53	0.0	-74.83	405.35	8.03	-66.80
CC(C)(C)[NH+]1CCC(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300007841368	0	47	0.0	-77.24	348.08	4.87	-72.37
CC(C)(C)[NH+]1CCC(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300007841369	0	50	0.0	-80.55	363.93	5.40	-75.15
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)S1	REAL300007841370	0	47	0.0	-69.71	369.25	5.49	-64.22
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])CC1	REAL300007841371	0	53	0.0	-59.73	395.44	8.93	-50.80
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1	REAL300007841372	0	50	0.0	-74.04	372.80	6.99	-67.05
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)CC1	REAL300007841373	0	50	0.0	-74.17	386.63	4.49	-69.68
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)CC1	REAL300007841374	0	50	0.0	-66.10	391.95	7.03	-59.07
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300007841375	0	47	0.0	-75.80	356.10	5.12	-70.68
CC(C)(C)[NH+]1CCC(NS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300007841376	0	52	0.0	-60.62	364.66	5.91	-54.71
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)CC1	REAL300007841377	0	44	0.0	-61.34	343.74	2.07	-59.27
CC(C)(C)[NH+]1CCC(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300007841378	0	49	0.0	-54.18	352.76	4.29	-49.89
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300007841379	0	44	0.0	-56.99	331.79	2.59	-54.40
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)CC1	REAL300007841380	0	44	0.0	-52.40	360.80	6.22	-46.18
CC(C)(C)[NH+]1CCC(NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300007841381	0	47	0.0	-81.72	340.45	5.59	-76.13
CC1=CC(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)=CN=C1C(=O)[O-]	REAL300007841382	0	49	0.0	-68.59	372.05	4.47	-64.12
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1	REAL300007841383	0	50	0.0	-74.04	372.80	6.99	-67.05
CCOC1=CC=C(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C1C(=O)[O-]	REAL300007841384	0	54	0.0	-80.13	408.60	6.73	-73.40
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)CC1	REAL300007841385	0	54	0.0	-73.65	404.89	7.66	-65.99
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])CC1	REAL300007841386	0	46	0.0	-54.01	345.04	4.82	-49.19
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)CC1	REAL300007841387	0	52	0.0	-79.36	401.18	6.14	-73.22
CCC(C)CC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007887639	0	55	0.0	-86.48	422.79	5.82	-80.66
CCC(C)CC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007887643	0	49	0.0	-86.31	387.24	6.68	-79.63
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007892283	0	46	0.0	-73.78	371.03	6.26	-67.52
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007892283	1	46	0.0	-74.45	371.04	6.26	-68.19
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007892284	0	46	0.0	-78.13	370.83	6.26	-71.87
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007892284	1	46	0.0	-78.37	370.87	6.27	-72.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892285	0	49	0.0	-77.56	385.51	7.17	-70.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892285	1	49	0.0	-77.71	385.71	7.15	-70.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892286	0	50	0.0	-83.69	391.24	6.10	-77.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892286	1	50	0.0	-83.53	391.25	6.09	-77.44
CC1=CC=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C=C1C(=O)[O-]	REAL300007892287	0	49	0.0	-77.36	386.89	6.81	-70.55
CC1=CC=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C=C1C(=O)[O-]	REAL300007892287	1	49	0.0	-77.78	387.20	6.79	-70.99
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007892288	0	43	0.0	-60.80	354.01	6.05	-54.75
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007892288	1	43	0.0	-61.19	354.00	6.05	-55.14
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007892289	0	46	0.0	-78.13	370.83	6.26	-71.87
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007892289	1	46	0.0	-78.37	370.87	6.27	-72.10
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007892290	0	46	0.0	-73.78	371.03	6.26	-67.52
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007892290	1	46	0.0	-74.45	371.04	6.26	-68.19
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007892291	0	46	0.0	-62.28	360.30	7.12	-55.16
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007892291	1	46	0.0	-62.97	360.56	7.14	-55.83
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007892292	0	44	0.0	-70.14	359.38	3.99	-66.15
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007892292	1	44	0.0	-70.18	359.37	4.01	-66.17
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007892293	0	46	0.0	-69.50	375.61	4.37	-65.13
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007892293	1	46	0.0	-70.78	375.61	4.37	-66.41
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007892294	0	43	0.0	-69.96	363.11	5.39	-64.57
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007892294	1	43	0.0	-70.65	363.33	5.38	-65.27
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007892295	0	43	0.0	-70.23	346.97	3.30	-66.93
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007892295	1	43	0.0	-70.59	347.16	3.28	-67.31
CC(C)C[N@H+](C)CCCNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007892296	0	51	0.0	-72.44	386.27	5.28	-67.16
CC(C)C[N@@H+](C)CCCNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007892296	1	51	0.0	-72.66	386.27	5.28	-67.38
CC(C)C[N@H+](C)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007892297	0	51	0.0	-79.48	388.08	5.38	-74.10
CC(C)C[N@@H+](C)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007892297	1	51	0.0	-79.15	388.09	5.39	-73.76
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007892298	0	46	0.0	-62.28	360.30	7.12	-55.16
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007892298	1	46	0.0	-62.97	360.56	7.14	-55.83
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007892299	0	46	0.0	-57.01	376.97	7.65	-49.36
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007892299	1	46	0.0	-57.55	376.88	7.65	-49.90
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007892300	0	43	0.0	-69.15	355.61	4.64	-64.51
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007892300	1	43	0.0	-69.21	355.61	4.65	-64.56
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)O1	REAL300007892301	0	46	0.0	-73.67	374.04	5.09	-68.58
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)O1	REAL300007892301	1	46	0.0	-73.87	373.84	5.11	-68.76
CC(C)C[N@H+](C)CCCNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007892302	0	48	0.0	-78.35	370.65	5.42	-72.93
CC(C)C[N@@H+](C)CCCNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007892302	1	48	0.0	-59.30	370.65	5.07	-54.23
CC(C)C[N@H+](C)CCCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007892303	0	49	0.0	-88.20	394.83	6.98	-81.22
CC(C)C[N@@H+](C)CCCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007892303	1	49	0.0	-87.82	394.64	7.00	-80.82
CC(C)C[N@H+](C)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007892304	0	51	0.0	-79.48	388.08	5.38	-74.10
CC(C)C[N@@H+](C)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007892304	1	51	0.0	-79.15	388.09	5.39	-73.76
CC(C)C[N@H+](C)CCCNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007892305	0	49	0.0	-84.69	394.83	6.96	-77.73
CC(C)C[N@@H+](C)CCCNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007892305	1	49	0.0	-83.73	394.85	6.97	-76.76
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007892306	0	43	0.0	-69.15	355.61	4.64	-64.51
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007892306	1	43	0.0	-69.21	355.61	4.65	-64.56
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007892307	0	50	0.0	-74.32	402.11	6.53	-67.79
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007892307	1	50	0.0	-74.46	401.92	6.55	-67.91
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892308	0	50	0.0	-66.91	410.04	7.21	-59.70
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892308	1	50	0.0	-65.80	409.69	7.21	-58.59
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007892309	0	43	0.0	-74.71	364.02	5.29	-69.42
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007892309	1	43	0.0	-75.15	364.24	5.28	-69.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)=C1C	REAL300007892310	0	52	0.0	-79.52	402.29	7.70	-71.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC[N@H+](C)CC(C)C)=C1C	REAL300007892310	1	52	0.0	-79.93	403.79	7.62	-72.31
CC1=CC=CC(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)=C1C(=O)[O-]	REAL300007892311	0	49	0.0	-66.59	387.67	7.32	-59.27
CC1=CC=CC(S(=O)(=O)NCCC[N@H+](C)CC(C)C)=C1C(=O)[O-]	REAL300007892311	1	49	0.0	-67.45	388.00	7.29	-60.16
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC[N@H+](C)CC(C)C)=C1	REAL300007892312	0	53	0.0	-72.60	426.13	5.96	-66.64
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)=C1	REAL300007892312	1	53	0.0	-71.73	425.93	5.98	-65.75
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007892313	0	43	0.0	-69.97	362.50	5.29	-64.68
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007892313	1	43	0.0	-69.98	362.50	5.29	-64.69
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007892314	0	49	0.0	-55.80	398.94	8.13	-47.67
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007892314	1	49	0.0	-56.39	398.85	8.15	-48.24
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892315	0	49	0.0	-70.79	379.82	7.03	-63.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892315	1	49	0.0	-71.56	380.18	7.00	-64.56
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007892316	0	49	0.0	-68.34	398.12	8.59	-59.75
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007892316	1	49	0.0	-69.18	398.38	8.59	-60.59
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007892317	0	49	0.0	-74.93	393.01	7.05	-67.88
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007892317	1	49	0.0	-75.19	393.23	7.04	-68.15
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C=C1[N+](=O)[O-]	REAL300007892318	0	51	0.0	-68.11	408.90	7.29	-60.82
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C=C1[N+](=O)[O-]	REAL300007892318	1	51	0.0	-63.73	409.18	7.31	-56.42
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007892319	0	43	0.0	-73.27	355.85	4.38	-68.89
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007892319	1	43	0.0	-73.45	355.85	4.38	-69.07
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007892320	0	49	0.0	-77.97	393.23	7.02	-70.95
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007892320	1	49	0.0	-78.17	393.24	7.03	-71.14
CC1=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C=C(C(=O)[O-])O1	REAL300007892321	0	46	0.0	-76.37	375.59	5.37	-71.00
CC1=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C=C(C(=O)[O-])O1	REAL300007892321	1	46	0.0	-76.25	375.60	5.37	-70.88
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007892322	0	45	0.0	-71.90	366.03	4.46	-67.44
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007892322	1	45	0.0	-72.19	366.01	4.47	-67.72
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007892323	0	42	0.0	-65.66	348.35	4.52	-61.14
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007892323	1	42	0.0	-66.08	348.36	4.52	-61.56
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007892324	0	42	0.0	-72.92	350.78	4.02	-68.90
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007892324	1	42	0.0	-73.85	352.41	3.99	-69.86
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007892325	0	45	0.0	-65.58	356.42	5.38	-60.20
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007892325	1	45	0.0	-67.17	357.05	5.33	-61.84
CC(C)C[N@H+](C)CCCNS(=O)(=O)CCCCCC(=O)[O-]	REAL300007892326	0	51	0.0	-80.48	399.87	6.46	-74.02
CC(C)C[N@@H+](C)CCCNS(=O)(=O)CCCCCC(=O)[O-]	REAL300007892326	1	51	0.0	-80.32	399.87	6.47	-73.85
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007892327	0	45	0.0	-74.99	366.71	4.48	-70.51
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007892327	1	45	0.0	-75.76	366.92	4.46	-71.30
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007892328	0	46	0.0	-72.38	387.77	6.76	-65.62
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007892328	1	46	0.0	-72.91	387.58	6.78	-66.13
COC1=CC=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C=C1C(=O)[O-]	REAL300007892329	0	50	0.0	-76.00	398.35	6.32	-69.68
COC1=CC=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C=C1C(=O)[O-]	REAL300007892329	1	50	0.0	-75.89	398.33	6.32	-69.57
CC1=CC(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)=CC=C1C(=O)[O-]	REAL300007892330	0	49	0.0	-72.82	386.85	6.81	-66.01
CC1=CC(S(=O)(=O)NCCC[N@H+](C)CC(C)C)=CC=C1C(=O)[O-]	REAL300007892330	1	49	0.0	-72.99	386.86	6.82	-66.17
CC(C)C[N@H+](C)CCCNS(=O)(=O)N(C)CCC(=O)[O-]	REAL300007892331	0	47	0.0	-73.55	370.00	4.48	-69.07
CC(C)C[N@@H+](C)CCCNS(=O)(=O)N(C)CCC(=O)[O-]	REAL300007892331	1	47	0.0	-73.66	370.01	4.48	-69.18
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007892332	0	51	0.0	-77.35	403.36	6.68	-70.67
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007892332	1	51	0.0	-78.07	403.66	6.67	-71.40
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC[N@H+](C)CC(C)C)=C1	REAL300007892333	0	53	0.0	-72.60	426.13	5.96	-66.64
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)=C1	REAL300007892333	1	53	0.0	-71.73	425.93	5.98	-65.75
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007892334	0	46	0.0	-72.38	387.77	6.76	-65.62
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007892334	1	46	0.0	-72.91	387.58	6.78	-66.13
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892335	0	46	0.0	-68.16	371.40	6.76	-61.40
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892335	1	46	0.0	-66.37	371.41	6.87	-59.50
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892336	0	49	0.0	-72.78	399.37	7.59	-65.19
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892336	1	49	0.0	-72.91	399.73	7.57	-65.34
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C=C21	REAL300007892337	0	52	0.0	-79.28	417.99	7.59	-71.69
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C=C21	REAL300007892337	1	52	0.0	-79.89	418.00	7.59	-72.30
CC(C)C[N@H+](C)CCCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007892338	0	49	0.0	-88.20	394.83	6.98	-81.22
CC(C)C[N@@H+](C)CCCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007892338	1	49	0.0	-87.82	394.64	7.00	-80.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892339	0	50	0.0	-83.69	391.24	6.10	-77.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892339	1	50	0.0	-83.53	391.25	6.09	-77.44
CC1=CC=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C=C1C(=O)[O-]	REAL300007892340	0	49	0.0	-77.36	386.89	6.81	-70.55
CC1=CC=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C=C1C(=O)[O-]	REAL300007892340	1	49	0.0	-77.78	387.20	6.79	-70.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892341	0	49	0.0	-77.56	385.51	7.17	-70.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892341	1	49	0.0	-77.71	385.71	7.15	-70.56
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892342	0	50	0.0	-67.40	404.91	6.31	-61.09
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892342	1	50	0.0	-66.98	405.22	6.29	-60.69
CC(C)C[N@H+](C)CCCNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007892343	0	49	0.0	-69.03	381.42	6.13	-62.90
CC(C)C[N@@H+](C)CCCNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007892343	1	49	0.0	-71.79	381.09	6.17	-65.62
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007892344	0	49	0.0	-77.97	393.23	7.02	-70.95
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007892344	1	49	0.0	-78.17	393.24	7.03	-71.14
COC1=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)SC(C(=O)[O-])=C1	REAL300007892345	0	47	0.0	-70.33	389.28	4.53	-65.80
COC1=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)SC(C(=O)[O-])=C1	REAL300007892345	1	47	0.0	-69.61	389.26	4.53	-65.08
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007892346	0	51	0.0	-73.28	407.87	6.91	-66.37
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007892346	1	51	0.0	-74.01	407.88	6.92	-67.09
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007892347	0	49	0.0	-73.71	400.97	7.09	-66.62
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007892347	1	49	0.0	-74.35	401.17	7.06	-67.29
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007892348	0	53	0.0	-81.02	417.17	8.14	-72.88
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007892348	1	53	0.0	-81.42	416.98	8.16	-73.26
CCC1=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C=C(C(=O)[O-])O1	REAL300007892349	0	49	0.0	-75.91	395.19	6.18	-69.73
CCC1=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C=C(C(=O)[O-])O1	REAL300007892349	1	49	0.0	-76.07	395.19	6.18	-69.89
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007892350	0	48	0.0	-59.62	388.30	7.80	-51.82
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007892350	1	48	0.0	-60.18	388.29	7.81	-52.37
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007892351	0	49	0.0	-75.15	408.73	7.76	-67.39
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007892351	1	49	0.0	-75.18	408.72	7.77	-67.41
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007892352	0	48	0.0	-53.87	388.06	7.80	-46.07
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007892352	1	48	0.0	-54.47	388.47	7.80	-46.67
CC1=NC=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C=C1C(=O)[O-]	REAL300007892353	0	48	0.0	-65.11	382.27	4.99	-60.12
CC1=NC=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C=C1C(=O)[O-]	REAL300007892353	1	48	0.0	-65.13	382.29	4.98	-60.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892354	0	50	0.0	-74.54	391.25	6.10	-68.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892354	1	50	0.0	-74.32	391.27	6.09	-68.23
COC1=CC(S(=O)(=O)NCCC[N@H+](C)CC(C)C)=CC=C1C(=O)[O-]	REAL300007892355	0	50	0.0	-79.76	398.33	6.33	-73.43
COC1=CC(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)=CC=C1C(=O)[O-]	REAL300007892355	1	50	0.0	-79.03	398.32	6.33	-72.70
COC1=CC=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C(CC(=O)[O-])=C1	REAL300007892356	0	53	0.0	-78.50	413.13	6.75	-71.75
COC1=CC=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C(CC(=O)[O-])=C1	REAL300007892356	1	53	0.0	-78.10	412.41	6.77	-71.33
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007892357	0	49	0.0	-76.55	398.43	7.09	-69.46
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007892357	1	49	0.0	-78.35	398.47	7.10	-71.25
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007892358	0	49	0.0	-65.57	409.57	7.26	-58.31
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007892358	1	49	0.0	-66.33	409.76	7.24	-59.09
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007892359	0	55	0.0	-77.70	424.21	7.89	-69.81
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007892359	1	55	0.0	-77.88	424.22	7.89	-69.99
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007892360	0	46	0.0	-63.29	362.80	4.60	-58.69
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007892360	1	46	0.0	-63.03	362.83	4.60	-58.43
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007892361	0	52	0.0	-76.01	407.12	8.48	-67.53
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007892361	1	52	0.0	-76.69	407.31	8.47	-68.22
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)=C1	REAL300007892362	0	46	0.0	-69.77	373.57	5.23	-64.54
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCC[N@H+](C)CC(C)C)=C1	REAL300007892362	1	46	0.0	-70.72	373.78	5.22	-65.50
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007892363	0	46	0.0	-76.54	383.36	6.66	-69.88
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007892363	1	46	0.0	-76.83	383.36	6.66	-70.17
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007892364	0	43	0.0	-85.15	351.44	4.65	-80.50
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007892364	1	43	0.0	-73.21	348.27	5.10	-68.11
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007892365	0	46	0.0	-57.91	355.19	5.46	-52.45
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007892365	1	46	0.0	-58.69	355.88	5.47	-53.22
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)=C1	REAL300007892366	0	50	0.0	-61.80	389.67	6.44	-55.36
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)=C1	REAL300007892366	1	50	0.0	-60.96	389.25	6.46	-54.50
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007892367	0	43	0.0	-70.23	346.97	3.30	-66.93
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007892367	1	43	0.0	-70.59	347.16	3.28	-67.31
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007892368	0	46	0.0	-63.29	362.80	4.60	-58.69
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007892368	1	46	0.0	-63.03	362.83	4.60	-58.43
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892370	0	53	0.0	-76.51	417.28	6.38	-70.13
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892370	1	53	0.0	-77.26	417.26	6.40	-70.86
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007892371	0	45	0.0	-77.15	364.30	4.60	-72.55
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007892371	1	45	0.0	-77.09	364.51	4.58	-72.51
CC(C)C[N@H+](C)CCCNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007892372	0	49	0.0	-77.53	384.14	7.41	-70.12
CC(C)C[N@@H+](C)CCCNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007892372	1	49	0.0	-77.60	384.31	7.41	-70.19
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007892373	0	43	0.0	-70.01	370.51	4.92	-65.09
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007892373	1	43	0.0	-70.64	370.72	4.90	-65.74
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007892374	0	52	0.0	-75.82	406.75	8.49	-67.33
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007892374	1	52	0.0	-76.37	406.99	8.47	-67.90
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@H+](C)CC(C)C	REAL300007892375	0	53	0.0	-83.60	413.30	7.00	-76.60
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC[N@@H+](C)CC(C)C	REAL300007892375	1	53	0.0	-83.34	413.30	7.00	-76.34
COC1=CC=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C(C(=O)[O-])=C1	REAL300007892376	0	50	0.0	-64.17	389.97	6.45	-57.72
COC1=CC=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C(C(=O)[O-])=C1	REAL300007892376	1	50	0.0	-63.72	389.54	6.43	-57.29
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007892377	0	45	0.0	-80.80	367.11	4.46	-76.34
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007892377	1	45	0.0	-81.58	367.12	4.46	-77.12
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007892378	0	43	0.0	-64.63	354.33	2.51	-62.12
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007892378	1	43	0.0	-65.39	354.54	2.50	-62.89
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007892379	0	46	0.0	-73.37	373.95	3.87	-69.50
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007892379	1	46	0.0	-77.29	372.56	4.00	-73.29
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007892380	0	52	0.0	-79.75	416.75	8.54	-71.21
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007892380	1	52	0.0	-80.20	416.76	8.53	-71.67
CC(C)C[N@H+](C)CCCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007892381	0	46	0.0	-80.29	361.03	5.40	-74.89
CC(C)C[N@@H+](C)CCCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007892381	1	46	0.0	-80.27	360.83	5.42	-74.85
CC(C)C[N@H+](C)CCCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007892382	0	49	0.0	-83.44	377.74	5.95	-77.49
CC(C)C[N@@H+](C)CCCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007892382	1	49	0.0	-83.23	377.74	5.95	-77.28
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)S1	REAL300007892383	0	46	0.0	-74.48	382.33	5.97	-68.51
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)S1	REAL300007892383	1	46	0.0	-75.10	382.33	5.98	-69.12
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007892384	0	52	0.0	-64.40	405.88	9.43	-54.97
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007892384	1	52	0.0	-64.80	405.88	9.43	-55.37
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007892385	0	49	0.0	-67.28	395.64	7.85	-59.43
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007892385	1	49	0.0	-66.79	395.66	7.84	-58.95
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007892386	0	49	0.0	-77.10	383.01	7.41	-69.69
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007892386	1	49	0.0	-77.01	383.75	7.41	-69.60
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007892387	0	46	0.0	-75.70	400.58	6.85	-68.85
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007892387	1	46	0.0	-75.87	400.57	6.86	-69.01
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007892388	0	49	0.0	-71.19	396.60	5.01	-66.18
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007892388	1	49	0.0	-73.33	396.81	5.00	-68.33
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007892389	0	49	0.0	-66.95	397.41	7.50	-59.45
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007892389	1	49	0.0	-66.96	397.42	7.50	-59.46
CC(C)C[N@H+](C)CCCNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007892390	0	46	0.0	-80.07	367.70	5.58	-74.49
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007892390	1	46	0.0	-79.49	367.50	5.59	-73.90
CC(C)C[N@H+](C)CCCNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007892391	0	51	0.0	-66.85	377.61	6.34	-60.51
CC(C)C[N@@H+](C)CCCNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007892391	1	51	0.0	-67.24	378.10	6.32	-60.92
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007892392	0	43	0.0	-64.63	354.33	2.51	-62.12
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007892392	1	43	0.0	-65.39	354.54	2.50	-62.89
CC(C)C[N@H+](C)CCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007892393	0	48	0.0	-59.22	372.96	4.97	-54.25
CC(C)C[N@@H+](C)CCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007892393	1	48	0.0	-60.26	373.17	4.94	-55.32
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007892394	0	43	0.0	-70.23	346.97	3.30	-66.93
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007892394	1	43	0.0	-70.59	347.16	3.28	-67.31
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007892395	0	43	0.0	-56.55	371.04	6.68	-49.87
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007892395	1	43	0.0	-57.44	371.19	6.65	-50.79
CC(C)C[N@H+](C)CCCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007892396	0	46	0.0	-81.45	351.22	6.01	-75.44
CC(C)C[N@@H+](C)CCCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007892396	1	46	0.0	-82.23	352.80	6.15	-76.08
CC1=CC(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)=CN=C1C(=O)[O-]	REAL300007892397	0	48	0.0	-76.72	382.32	5.02	-71.70
CC1=CC(S(=O)(=O)NCCC[N@H+](C)CC(C)C)=CN=C1C(=O)[O-]	REAL300007892397	1	48	0.0	-77.68	383.24	5.03	-72.65
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007892398	0	49	0.0	-77.10	383.01	7.41	-69.69
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007892398	1	49	0.0	-77.01	383.75	7.41	-69.60
CCOC1=CC=C(S(=O)(=O)NCCC[N@H+](C)CC(C)C)C=C1C(=O)[O-]	REAL300007892399	0	53	0.0	-75.43	419.98	7.25	-68.18
CCOC1=CC=C(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)C=C1C(=O)[O-]	REAL300007892399	1	53	0.0	-75.53	419.98	7.25	-68.28
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007892400	0	53	0.0	-68.98	416.29	8.16	-60.82
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007892400	1	53	0.0	-70.21	416.50	8.14	-62.07
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007892401	0	45	0.0	-58.22	355.67	5.33	-52.89
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007892401	1	45	0.0	-59.08	355.88	5.34	-53.74
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007892402	0	51	0.0	-83.96	412.79	6.63	-77.33
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007892402	1	51	0.0	-84.73	412.81	6.63	-78.10
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300007893296	0	51	0.0	-83.27	400.87	5.30	-77.97
C[C@H]1CN(S(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300007893300	0	45	0.0	-80.61	365.23	6.10	-74.51
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007894122	0	41	0.0	-73.27	341.89	5.34	-67.93
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007894123	0	41	0.0	-69.41	341.91	5.33	-64.08
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1	REAL300007894124	0	44	0.0	-77.90	356.58	6.24	-71.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300007894125	0	45	0.0	-82.91	362.31	5.14	-77.77
CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C=C1C(=O)[O-]	REAL300007894126	0	44	0.0	-68.42	357.93	5.86	-62.56
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300007894127	0	38	0.0	-61.32	325.09	5.10	-56.22
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007894128	0	41	0.0	-69.41	341.91	5.33	-64.08
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007894129	0	41	0.0	-73.27	341.89	5.34	-67.93
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1	REAL300007894130	0	41	0.0	-67.23	331.20	6.20	-61.03
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C1	REAL300007894131	0	39	0.0	-72.73	330.44	3.04	-69.69
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C1	REAL300007894132	0	41	0.0	-75.10	346.55	3.45	-71.65
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300007894133	0	38	0.0	-67.69	334.18	4.46	-63.23
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300007894134	0	38	0.0	-66.18	315.81	2.28	-63.90
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300007894135	0	46	0.0	-74.63	360.31	4.50	-70.13
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300007894136	0	46	0.0	-77.50	360.56	4.51	-72.99
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1	REAL300007894137	0	41	0.0	-67.23	331.20	6.20	-61.03
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C1	REAL300007894138	0	41	0.0	-57.32	348.00	6.73	-50.59
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300007894139	0	38	0.0	-68.00	326.73	3.70	-64.30
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)O1	REAL300007894140	0	41	0.0	-70.90	346.57	4.23	-66.67
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)N2CCCC2C(=O)[O-])C1	REAL300007894141	0	43	0.0	-63.29	341.46	4.17	-59.12
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007894142	0	44	0.0	-87.94	365.79	6.05	-81.89
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300007894143	0	46	0.0	-77.50	360.56	4.51	-72.99
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300007894144	0	44	0.0	-86.19	365.80	6.03	-80.16
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300007894145	0	38	0.0	-68.00	326.73	3.70	-64.30
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300007894146	0	45	0.0	-71.45	373.00	5.61	-65.84
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300007894147	0	45	0.0	-63.12	380.95	6.31	-56.81
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300007894148	0	38	0.0	-74.75	335.09	4.34	-70.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)=C1C	REAL300007894149	0	47	0.0	-80.37	374.92	6.67	-73.70
CC1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)=C1C(=O)[O-]	REAL300007894150	0	44	0.0	-66.70	359.23	6.45	-60.25
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)=C1	REAL300007894151	0	48	0.0	-80.11	397.12	5.04	-75.07
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300007894152	0	38	0.0	-73.47	333.60	4.34	-69.13
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])C1	REAL300007894153	0	44	0.0	-59.84	370.22	7.21	-52.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1	REAL300007894154	0	44	0.0	-72.08	351.12	6.08	-66.00
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300007894155	0	44	0.0	-68.83	369.49	7.64	-61.19
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300007894156	0	44	0.0	-73.16	364.09	6.11	-67.05
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C=C1[N+](=O)[O-]	REAL300007894157	0	46	0.0	-61.31	380.20	6.35	-54.96
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C1	REAL300007894158	0	38	0.0	-70.53	326.95	3.43	-67.10
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300007894159	0	44	0.0	-59.34	364.17	6.09	-53.25
CC1=C(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C=C(C(=O)[O-])O1	REAL300007894160	0	41	0.0	-74.75	346.87	4.43	-70.32
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300007894161	0	40	0.0	-65.67	337.18	3.52	-62.15
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CSN=C2C(=O)[O-])C1	REAL300007894162	0	37	0.0	-69.74	319.41	3.59	-66.15
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C1	REAL300007894163	0	37	0.0	-75.94	323.47	3.04	-72.90
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C1	REAL300007894164	0	40	0.0	-67.17	328.20	4.40	-62.77
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CCCCCC(=O)[O-])C1	REAL300007894165	0	46	0.0	-80.53	370.94	5.53	-75.00
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300007894166	0	40	0.0	-74.44	337.78	3.53	-70.91
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300007894167	0	41	0.0	-65.14	358.66	5.84	-59.30
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300007894168	0	41	0.0	-65.29	363.19	5.94	-59.35
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C=C1C(=O)[O-]	REAL300007894169	0	45	0.0	-84.32	369.19	5.39	-78.93
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)=CC=C1C(=O)[O-]	REAL300007894170	0	44	0.0	-73.93	361.70	5.96	-67.97
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)C1	REAL300007894171	0	46	0.0	-73.57	374.82	5.74	-67.83
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)=C1	REAL300007894172	0	48	0.0	-80.11	397.12	5.04	-75.07
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300007894173	0	41	0.0	-65.14	358.66	5.84	-59.30
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1	REAL300007894174	0	41	0.0	-69.40	342.60	5.93	-63.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1	REAL300007894175	0	44	0.0	-72.34	370.44	6.65	-65.69
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@H]([NH+](C)C)C3)C=C21	REAL300007894176	0	47	0.0	-74.22	388.95	6.66	-67.56
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007894177	0	44	0.0	-87.94	365.79	6.05	-81.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300007894178	0	45	0.0	-82.91	362.31	5.14	-77.77
CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C=C1C(=O)[O-]	REAL300007894179	0	44	0.0	-68.42	357.93	5.86	-62.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1	REAL300007894180	0	44	0.0	-77.90	356.58	6.24	-71.66
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300007894181	0	45	0.0	-72.47	366.53	5.44	-67.03
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1	REAL300007894182	0	44	0.0	-67.70	352.49	5.21	-62.49
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300007894183	0	44	0.0	-59.34	364.17	6.09	-53.25
COC1=C(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)SC(C(=O)[O-])=C1	REAL300007894184	0	42	0.0	-66.95	360.14	3.62	-63.33
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C1	REAL300007894185	0	46	0.0	-74.25	378.75	5.99	-68.26
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C1	REAL300007894186	0	44	0.0	-73.04	372.03	6.12	-66.92
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C1	REAL300007894187	0	48	0.0	-78.18	388.06	7.23	-70.95
CCC1=C(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C=C(C(=O)[O-])O1	REAL300007894188	0	44	0.0	-74.76	366.16	5.23	-69.53
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C1	REAL300007894189	0	43	0.0	-58.69	359.44	6.86	-51.83
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)C1	REAL300007894190	0	44	0.0	-73.44	379.77	6.83	-66.61
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C1	REAL300007894191	0	43	0.0	-56.71	359.45	6.86	-49.85
CC1=NC=C(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C=C1C(=O)[O-]	REAL300007894192	0	43	0.0	-65.00	357.08	4.13	-60.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300007894193	0	45	0.0	-71.48	362.45	5.16	-66.32
COC1=CC(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)=CC=C1C(=O)[O-]	REAL300007894194	0	45	0.0	-78.54	369.18	5.40	-73.14
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(CC(=O)[O-])=C1	REAL300007894195	0	48	0.0	-78.34	383.85	5.81	-72.53
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C1	REAL300007894196	0	44	0.0	-76.91	369.58	6.15	-70.76
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C1	REAL300007894197	0	44	0.0	-64.63	380.64	6.31	-58.32
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300007894198	0	50	0.0	-71.01	396.91	7.00	-64.01
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300007894199	0	41	0.0	-63.14	333.79	3.65	-59.49
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300007894200	0	47	0.0	-72.29	378.17	7.53	-64.76
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)=C1	REAL300007894201	0	41	0.0	-68.62	344.73	4.27	-64.35
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])C1	REAL300007894202	0	41	0.0	-60.84	352.63	6.82	-54.02
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300007894203	0	41	0.0	-67.90	354.42	5.71	-62.19
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C1	REAL300007894204	0	38	0.0	-86.34	322.39	3.72	-82.62
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)=C1	REAL300007894205	0	45	0.0	-62.02	360.61	5.50	-56.52
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)=C1OC	REAL300007894206	0	53	0.0	-74.58	420.99	6.42	-68.16
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300007894207	0	38	0.0	-66.18	315.81	2.28	-63.90
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300007894208	0	41	0.0	-63.14	333.79	3.65	-59.49
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300007894210	0	48	0.0	-76.65	388.37	5.46	-71.19
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300007894211	0	40	0.0	-71.32	338.14	3.43	-67.89
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C1	REAL300007894212	0	44	0.0	-77.99	355.48	6.47	-71.52
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007894213	0	38	0.0	-69.89	341.62	3.97	-65.92
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300007894214	0	47	0.0	-72.91	377.89	7.54	-65.37
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300007894215	0	48	0.0	-82.03	383.16	6.03	-76.00
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(C(=O)[O-])=C1	REAL300007894216	0	45	0.0	-63.93	360.68	5.48	-58.45
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300007894217	0	40	0.0	-72.79	337.97	3.54	-69.25
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1	REAL300007894218	0	38	0.0	-64.55	325.39	1.57	-62.98
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300007894219	0	41	0.0	-77.37	342.41	3.12	-74.25
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C1	REAL300007894220	0	47	0.0	-76.33	387.91	7.58	-68.75
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300007894221	0	44	0.0	-80.02	348.94	5.06	-74.96
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)S1	REAL300007894222	0	41	0.0	-74.89	353.21	5.04	-69.85
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C1	REAL300007894223	0	47	0.0	-69.47	376.83	8.46	-61.01
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)C1	REAL300007894224	0	44	0.0	-65.48	366.68	6.91	-58.57
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300007894225	0	44	0.0	-77.20	353.73	6.78	-70.42
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300007894226	0	41	0.0	-74.53	371.62	5.91	-68.62
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C1	REAL300007894227	0	44	0.0	-87.70	368.27	3.95	-83.75
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C1	REAL300007894228	0	44	0.0	-64.97	368.51	6.57	-58.40
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300007894229	0	46	0.0	-67.88	353.81	5.19	-62.69
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1	REAL300007894230	0	38	0.0	-64.55	325.39	1.57	-62.98
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300007894231	0	43	0.0	-81.54	341.78	4.47	-77.07
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300007894232	0	38	0.0	-66.18	315.81	2.28	-63.90
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C1	REAL300007894233	0	38	0.0	-60.31	342.08	5.73	-54.58
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)=CN=C1C(=O)[O-]	REAL300007894234	0	43	0.0	-77.37	354.54	4.07	-73.30
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300007894235	0	44	0.0	-77.20	353.73	6.78	-70.42
CCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C=C1C(=O)[O-]	REAL300007894236	0	48	0.0	-74.85	391.06	6.29	-68.56
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1	REAL300007894237	0	48	0.0	-61.39	386.01	7.20	-54.19
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C1	REAL300007894238	0	40	0.0	-62.16	326.80	4.40	-57.76
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)C1	REAL300007894239	0	46	0.0	-81.03	383.77	5.72	-75.31
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007894999	1	47	0.0	-70.41	354.30	6.72	-63.69
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300007895000	1	47	0.0	-69.89	354.28	6.71	-63.18
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)CC1	REAL300007895001	1	50	0.0	-79.09	357.96	6.99	-72.10
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)CC1	REAL300007895002	1	51	0.0	-75.75	377.52	6.55	-69.20
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300007895003	1	50	0.0	-69.01	370.35	7.24	-61.77
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)CC1	REAL300007895004	1	44	0.0	-80.91	339.91	6.49	-74.42
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300007895005	1	47	0.0	-69.89	354.28	6.71	-63.18
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007895006	1	47	0.0	-70.41	354.30	6.72	-63.69
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC1	REAL300007895007	1	47	0.0	-88.67	340.20	7.67	-81.00
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)CC1	REAL300007895008	1	45	0.0	-68.40	342.80	4.44	-63.96
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CC1	REAL300007895009	1	47	0.0	-64.22	358.86	4.85	-59.37
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300007895011	1	44	0.0	-59.07	327.13	3.61	-55.46
CCC(C)(C)[NH+]1CCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300007895012	1	52	0.0	-65.20	372.13	5.88	-59.32
CCC(C)(C)[NH+]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300007895013	1	52	0.0	-77.22	371.26	5.84	-71.38
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC1	REAL300007895014	1	47	0.0	-88.67	340.20	7.67	-81.00
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])CC1	REAL300007895015	1	47	0.0	-78.18	357.00	8.18	-70.00
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300007895016	1	44	0.0	-68.16	339.04	5.09	-63.07
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)CC1	REAL300007895017	1	47	0.0	-67.92	358.90	5.61	-62.31
CCC(C)(C)[NH+]1CCN(S(=O)(=O)CCCC(=O)[O-])CC1	REAL300007895018	1	46	0.0	-74.94	340.36	5.34	-69.60
CCC(C)(C)[NH+]1CCN(S(=O)(=O)N2CCCC2C(=O)[O-])CC1	REAL300007895019	1	49	0.0	-77.61	353.97	5.86	-71.75
CCC(C)(C)[NH+]1CCN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007895020	1	50	0.0	-86.84	378.13	7.44	-79.40
CCC(C)(C)[NH+]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300007895021	1	52	0.0	-77.22	371.26	5.84	-71.38
CCC(C)(C)[NH+]1CCN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300007895022	1	50	0.0	-84.07	378.14	7.43	-76.64
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300007895023	1	44	0.0	-68.16	339.04	5.09	-63.07
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300007895024	1	51	0.0	-71.00	385.39	6.99	-64.01
CCC(C)(C)[NH+]1CCN(S(=O)(=O)CCCC(=O)[O-])CC1	REAL300007895025	1	46	0.0	-74.94	340.36	5.34	-69.60
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)CC1	REAL300007895027	1	53	0.0	-80.47	375.37	7.55	-72.92
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])CC1	REAL300007895028	1	50	0.0	-92.85	365.91	7.60	-85.25
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300007895029	1	54	0.0	-71.70	409.36	6.41	-65.29
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)CC1	REAL300007895030	1	44	0.0	-68.98	345.93	5.76	-63.22
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300007895031	1	50	0.0	-64.53	352.90	6.86	-57.67
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)CC1	REAL300007895032	1	50	0.0	-62.37	375.26	8.71	-53.66
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300007895033	1	50	0.0	-71.29	376.48	7.49	-63.80
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)CC1	REAL300007895034	1	52	0.0	-62.52	392.54	7.73	-54.79
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300007895036	1	50	0.0	-71.90	376.44	7.48	-64.42
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)CC1	REAL300007895037	1	47	0.0	-77.99	351.83	5.69	-72.30
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300007895038	1	46	0.0	-65.22	349.44	4.91	-60.31
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])CC1	REAL300007895041	1	46	0.0	-90.81	342.85	6.15	-84.66
CCC(C)(C)[NH+]1CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1	REAL300007895042	1	52	0.0	-77.98	383.36	6.90	-71.08
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300007895043	1	46	0.0	-72.63	350.16	4.92	-67.71
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CC1	REAL300007895044	1	47	0.0	-65.51	371.02	7.21	-58.30
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)CC1	REAL300007895045	1	51	0.0	-75.33	381.59	6.78	-68.55
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)CC1	REAL300007895046	1	50	0.0	-69.82	370.30	7.24	-62.58
CCC(C)(C)[NH+]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1	REAL300007895047	1	48	0.0	-60.53	346.32	4.64	-55.89
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)CC1	REAL300007895048	1	52	0.0	-87.20	381.52	7.15	-80.05
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300007895049	1	54	0.0	-71.70	409.36	6.41	-65.29
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CC1	REAL300007895050	1	47	0.0	-65.51	371.02	7.21	-58.30
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2C)CC1	REAL300007895051	1	47	0.0	-51.22	349.64	7.10	-44.12
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)CC1	REAL300007895052	1	50	0.0	-73.53	371.88	7.44	-66.09
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])=C(C)C3=C2)CC1	REAL300007895053	1	53	0.0	-76.00	401.22	8.06	-67.94
CCC(C)(C)[NH+]1CCN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007895054	1	50	0.0	-86.84	378.13	7.44	-79.40
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)CC1	REAL300007895055	1	51	0.0	-75.75	377.52	6.55	-69.20
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300007895056	1	50	0.0	-69.01	370.35	7.24	-61.77
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)CC1	REAL300007895057	1	50	0.0	-79.09	357.96	6.99	-72.10
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2OC)CC1	REAL300007895058	1	51	0.0	-65.68	381.17	6.82	-58.86
CCC(C)(C)[NH+]1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300007895059	1	50	0.0	-66.81	365.51	6.56	-60.25
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300007895060	1	50	0.0	-71.90	376.44	7.48	-64.42
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)CC1	REAL300007895062	1	52	0.0	-71.11	391.12	7.37	-63.74
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)CC1	REAL300007895063	1	54	0.0	-75.49	400.44	8.59	-66.90
CCC1=C(S(=O)(=O)N2CC[NH+](C(C)(C)CC)CC2)C=C(C(=O)[O-])O1	REAL300007895064	1	50	0.0	-75.71	370.72	6.26	-69.45
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CC1	REAL300007895065	1	49	0.0	-87.52	368.30	8.33	-79.19
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)CC1	REAL300007895066	1	50	0.0	-74.74	392.18	8.21	-66.53
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])CC1	REAL300007895067	1	49	0.0	-71.53	365.61	8.25	-63.28
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)CC1	REAL300007895068	1	49	0.0	-66.12	369.40	5.51	-60.61
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)CC1	REAL300007895069	1	51	0.0	-69.39	377.55	6.58	-62.81
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300007895070	1	51	0.0	-76.47	381.58	6.79	-69.68
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(OC)C=C2CC(=O)[O-])CC1	REAL300007895071	1	54	0.0	-84.94	391.81	7.11	-77.83
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)CC1	REAL300007895072	1	50	0.0	-65.73	381.90	7.52	-58.21
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300007895073	1	56	0.0	-72.74	407.42	8.35	-64.39
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300007895074	1	47	0.0	-62.57	342.05	4.90	-57.67
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300007895075	1	53	0.0	-82.70	385.15	8.92	-73.78
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)CC1	REAL300007895076	1	47	0.0	-68.84	357.03	5.66	-63.18
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300007895077	1	47	0.0	-68.74	366.83	7.09	-61.65
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1	REAL300007895079	1	47	0.0	-47.58	331.83	5.55	-42.03
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(OC)=CC=C2C(=O)[O-])CC1	REAL300007895080	1	51	0.0	-81.85	369.48	6.99	-74.86
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300007895081	1	44	0.0	-59.07	327.13	3.61	-55.46
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300007895082	1	47	0.0	-62.57	342.05	4.90	-57.67
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2COC)CC1	REAL300007895084	1	54	0.0	-56.57	393.87	6.68	-49.89
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300007895085	1	46	0.0	-72.89	351.29	4.81	-68.08
CCC(C)(C)[NH+]1CCN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CC1	REAL300007895086	1	50	0.0	-67.64	367.84	7.83	-59.81
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300007895088	1	53	0.0	-75.34	384.69	8.93	-66.41
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[NH+](C(C)(C)CC)CC1	REAL300007895089	1	54	0.0	-75.45	399.41	7.47	-67.98
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(OC)C=C2C(=O)[O-])CC1	REAL300007895090	1	51	0.0	-90.58	369.76	6.97	-83.61
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300007895091	1	46	0.0	-73.78	350.34	4.93	-68.85
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)CC1	REAL300007895092	1	44	0.0	-61.19	337.78	2.98	-58.21
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)CC1	REAL300007895093	1	47	0.0	-75.89	354.77	4.51	-71.38
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)CC1	REAL300007895094	1	53	0.0	-77.44	400.22	8.97	-68.47
CCC(C)(C)[NH+]1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300007895095	1	47	0.0	-75.67	344.37	5.86	-69.81
CCC(C)(C)[NH+]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300007895096	1	50	0.0	-79.84	356.76	6.27	-73.57
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])CC1	REAL300007895098	1	53	0.0	-93.23	386.09	9.95	-83.28
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1	REAL300007895099	1	50	0.0	-81.86	361.87	8.00	-73.86
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)CC1	REAL300007895100	1	50	0.0	-82.07	380.64	5.36	-76.71
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)CC1	REAL300007895101	1	50	0.0	-63.91	380.90	7.96	-55.95
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300007895102	1	47	0.0	-78.05	350.98	6.04	-72.01
CCC(C)(C)[NH+]1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300007895103	1	52	0.0	-57.39	360.00	6.60	-50.79
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)CC1	REAL300007895104	1	44	0.0	-61.19	337.78	2.98	-58.21
CCC(C)(C)[NH+]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300007895105	1	49	0.0	-77.60	354.04	5.85	-71.75
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300007895106	1	44	0.0	-59.07	327.13	3.61	-55.46
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)CC1	REAL300007895107	1	44	0.0	-76.23	352.51	6.91	-69.32
CCC(C)(C)[NH+]1CCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300007895108	1	47	0.0	-78.01	334.67	6.42	-71.59
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)CC1	REAL300007895109	1	49	0.0	-72.73	366.69	5.46	-67.27
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1	REAL300007895110	1	50	0.0	-81.86	361.87	8.00	-73.86
CCOC1=CC=C(S(=O)(=O)N2CC[NH+](C(C)(C)CC)CC2)C=C1C(=O)[O-]	REAL300007895111	1	54	0.0	-75.49	403.44	7.69	-67.80
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)CC1	REAL300007895112	1	54	0.0	-62.57	399.72	8.59	-53.98
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])CC1	REAL300007895113	1	46	0.0	-78.15	335.86	5.84	-72.31
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)CC1	REAL300007895114	1	52	0.0	-80.99	396.05	7.10	-73.89
COC1(CC(NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])CCC1	REAL300007896891	0	51	0.0	-88.74	395.48	5.58	-83.16
CC[N@H+](CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1CCCCC1	REAL300007897928	0	53	0.0	-73.22	402.98	7.54	-65.68
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CCCCC[N@@H+](CCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300007898053	1	56	0.0	-80.92	432.10	9.69	-71.23
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300007898548	0	54	0.0	-81.56	416.80	7.07	-74.49
C[NH+](C)CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300007898553	0	48	0.0	-74.22	387.29	8.07	-66.15
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300007900605	0	58	0.0	-84.38	440.23	6.49	-77.89
CC(C)C[C@H](CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)CC(=O)[O-]	REAL300007900610	0	52	0.0	-83.26	402.19	7.20	-76.06
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300007901230	0	58	0.0	-84.38	440.23	6.49	-77.89
CC(C)C[C@H](CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)CC(=O)[O-]	REAL300007901235	0	52	0.0	-83.26	402.19	7.20	-76.06
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CCOCC1	REAL300007906070	0	54	0.0	-88.67	411.33	5.22	-83.45
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300007906075	0	48	0.0	-64.72	373.87	6.00	-58.72
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CCCCC1	REAL300007906695	0	56	0.0	-88.71	420.36	7.60	-81.11
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCCCC2)C=C1	REAL300007906700	0	50	0.0	-87.77	385.06	8.40	-79.37
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3CCCCC32)C=C1	REAL300007910154	0	54	0.0	-85.47	395.35	8.96	-76.51
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=C1	REAL300007913540	0	48	0.0	-76.73	386.15	7.67	-69.06
COCC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007915494	0	54	0.0	-88.88	411.20	6.09	-82.79
COCC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007915499	0	48	0.0	-95.78	379.11	7.15	-88.63
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=C(C(=O)[O-])OC=C1	REAL300007921652	0	47	0.0	-70.43	390.54	4.48	-65.95
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=C(C(=O)[O-])OC=C2)C=C1	REAL300007921656	0	41	0.0	-70.73	352.44	5.20	-65.53
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(CC(=O)[O-])C1CC1	REAL300007922475	0	53	0.0	-76.94	416.56	6.11	-70.83
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300007922479	0	47	0.0	-80.66	380.47	6.81	-73.85
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(CCF)C(=O)[O-]	REAL300007923198	0	49	0.0	-69.62	377.28	4.18	-65.44
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300007923202	0	43	0.0	-71.73	334.41	5.00	-66.73
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=CC=C(CC(=O)[O-])C=C1	REAL300007925001	0	53	0.0	-81.71	434.20	7.09	-74.62
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300007925006	0	47	0.0	-81.55	395.18	7.76	-73.79
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926241	0	45	0.0	-84.55	378.13	6.96	-77.59
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1CC=C(C(=O)[O-])C1	REAL300007926824	0	48	0.0	-84.74	386.24	5.13	-79.61
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2CC=C(C(=O)[O-])C2)C=C1	REAL300007926828	0	42	0.0	-84.00	351.40	5.92	-78.08
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300007927390	0	51	0.0	-98.21	401.15	7.31	-90.90
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300007927395	0	45	0.0	-89.03	369.64	7.23	-81.80
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C=C1	REAL300007928177	0	48	0.0	-76.61	390.25	8.92	-67.69
COC1=CC=CC(CC(NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300007928826	0	51	0.0	-63.62	423.71	7.29	-56.33
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300007929676	0	53	0.0	-54.68	379.11	7.89	-46.79
COC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N(CC[NH+](C)C)N=C2C)C1	REAL300007930242	0	51	0.0	-69.39	398.25	4.59	-64.80
COC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300007930246	0	45	0.0	-71.88	361.41	5.31	-66.57
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1CC=C(C(=O)[O-])C1	REAL300007932599	0	48	0.0	-84.74	386.24	5.13	-79.61
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2CC=C(C(=O)[O-])C2)C=C1	REAL300007932603	0	42	0.0	-84.00	351.40	5.92	-78.08
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300007936040	0	47	0.0	-75.45	374.71	4.57	-70.88
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300007936044	0	41	0.0	-74.15	340.92	5.39	-68.76
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300007936757	0	53	0.0	-83.42	403.35	6.86	-76.56
C[C@H]1CN(S(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)CC[C@H]1C(=O)[O-]	REAL300007936761	0	47	0.0	-71.74	362.01	7.41	-64.33
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007938565	0	54	0.0	-88.09	409.04	6.44	-81.65
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=C1	REAL300007938570	0	48	0.0	-92.04	373.33	7.19	-84.85
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CCOCC1	REAL300007943745	0	54	0.0	-52.92	393.33	3.79	-49.13
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)C=C1	REAL300007943750	0	48	0.0	-54.38	359.37	4.81	-49.57
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300007945593	0	54	0.0	-69.11	415.73	4.27	-64.84
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300007945598	0	48	0.0	-71.61	377.65	4.98	-66.63
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=CC(C(=O)[O-])=CO1	REAL300007946223	0	47	0.0	-80.99	394.21	4.54	-76.45
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=CO2)C=C1	REAL300007946227	0	41	0.0	-81.62	356.11	5.23	-76.39
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C=C1	REAL300007948974	0	48	0.0	-82.52	384.43	8.82	-73.70
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300007952411	0	53	0.0	-72.61	425.49	2.64	-69.97
C[C@H](NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007952416	0	47	0.0	-71.96	389.59	3.43	-68.53
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCCC1CC(=O)[O-]	REAL300007955311	0	53	0.0	-90.94	392.58	7.69	-83.25
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCCC2CC(=O)[O-])C=C1	REAL300007955315	0	47	0.0	-90.45	356.64	7.98	-82.47
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300007957725	0	51	0.0	-61.65	401.51	6.17	-55.48
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	REAL300007958518	0	53	0.0	-72.10	410.94	6.29	-65.81
C[C@H]1CN(S(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C[C@]1(C)C(=O)[O-]	REAL300007958522	0	47	0.0	-73.22	372.73	6.95	-66.27
C=C(Cl)CC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007960569	0	47	0.0	-81.14	398.85	5.23	-75.91
C=C(Cl)CC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007960573	0	41	0.0	-82.93	363.18	5.99	-76.94
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C=C1	REAL300007963388	0	54	0.0	-64.50	410.21	4.21	-60.29
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300007965715	0	51	0.0	-82.16	403.83	5.69	-76.47
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300007965719	0	45	0.0	-79.83	366.92	6.44	-73.39
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007966382	0	51	0.0	-68.59	404.66	4.08	-64.51
C[NH+](C)CC1=CC=C(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007966386	0	45	0.0	-74.48	363.53	4.75	-69.73
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300007968352	0	53	0.0	-72.03	383.89	4.90	-67.13
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2CC2)C=C1	REAL300007968356	0	47	0.0	-74.23	352.80	6.05	-68.18
CC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)=C1	REAL300007970536	0	50	0.0	-85.77	412.92	8.68	-77.09
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1	REAL300007971432	0	48	0.0	-75.22	390.61	9.49	-65.73
CC(C)CN(CC(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007977050	0	55	0.0	-78.44	404.49	9.00	-69.44
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977702	0	47	0.0	-84.71	394.11	8.37	-76.34
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007978564	0	50	0.0	-53.32	392.10	7.79	-45.53
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300007982523	0	54	0.0	-60.19	419.19	4.24	-55.95
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300007982528	0	48	0.0	-58.52	380.69	4.94	-53.58
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300007983830	0	54	0.0	-78.75	413.47	6.79	-71.96
C[NH+](C)CC1=CC=C(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C=C1	REAL300007983835	0	48	0.0	-83.82	375.51	7.43	-76.39
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300007984549	0	48	0.0	-85.97	382.12	7.58	-78.39
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300007986438	0	47	0.0	-76.62	390.30	4.90	-71.72
C[NH+](C)CC1=CC=C(S(=O)(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=C1	REAL300007986442	0	41	0.0	-69.37	351.42	5.55	-63.82
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300007987174	0	48	0.0	-78.38	391.20	9.09	-69.29
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C(F)C(=O)[O-])C1	REAL300007988008	0	50	0.0	-72.06	401.87	6.18	-65.88
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C(F)C(=O)[O-])C2)C=C1	REAL300007988012	0	44	0.0	-75.89	363.05	6.86	-69.03
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007988938	0	56	0.0	-81.53	428.36	7.54	-73.99
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007988943	0	50	0.0	-80.22	391.81	8.33	-71.89
C[NH+](C)CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1	REAL300007990801	0	44	0.0	-73.90	373.98	6.94	-66.96
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	REAL300007993689	0	54	0.0	-69.67	412.22	7.12	-62.55
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C=C1	REAL300007993694	0	48	0.0	-90.09	373.18	7.61	-82.48
C[N@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)CCCC(=O)[O-])CCOCC1	REAL300007996142	0	54	0.0	-74.26	403.31	6.17	-68.09
C[N@@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)CCCC(=O)[O-])CCOCC1	REAL300007996142	1	54	0.0	-80.50	406.35	5.84	-74.66
C[N@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)CCCC(=O)[O-])CCOCC1	REAL300007996143	0	54	0.0	-74.26	403.31	6.17	-68.09
C[N@@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)CCCC(=O)[O-])CCOCC1	REAL300007996143	1	54	0.0	-80.50	406.35	5.84	-74.66
CN(CCC(=O)[O-])S(=O)(=O)NCC1([N@H+](C)CC2=CC=CC=C2)CCOCC1	REAL300007996144	0	56	0.0	-69.97	416.74	5.76	-64.21
CN(CCC(=O)[O-])S(=O)(=O)NCC1([N@@H+](C)CC2=CC=CC=C2)CCOCC1	REAL300007996144	1	56	0.0	-71.24	419.78	5.42	-65.82
C[N@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CCOCC1	REAL300007996145	0	55	0.0	-49.25	401.44	6.33	-42.92
C[N@@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CCOCC1	REAL300007996145	1	55	0.0	-54.11	402.03	6.73	-47.38
C[N@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1	REAL300007996146	0	55	0.0	-81.82	409.87	6.34	-75.48
C[N@@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1	REAL300007996146	1	55	0.0	-76.91	409.93	6.34	-70.57
C[N@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CCOCC1	REAL300007996147	0	55	0.0	-76.39	413.98	6.89	-69.50
C[N@@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CCOCC1	REAL300007996147	1	55	0.0	-83.39	416.97	6.54	-76.85
C[N@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCOCC1	REAL300007996148	0	55	0.0	-82.58	400.00	6.94	-75.64
C[N@@H+](CC1=CC=CC=C1)C1(CNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCOCC1	REAL300007996148	1	55	0.0	-82.40	400.56	6.94	-75.46
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C[NH+](C)C	REAL300007996477	0	44	0.0	-71.94	365.17	4.21	-67.73
CCOC(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996478	0	44	0.0	-78.93	364.24	4.18	-74.75
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C[NH+](C)C	REAL300007996479	0	47	0.0	-76.95	378.54	5.07	-71.88
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C[NH+](C)C	REAL300007996480	0	48	0.0	-86.95	384.57	4.02	-82.93
CCOC(CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996481	0	47	0.0	-78.09	381.46	4.81	-73.28
CCOC(CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C[NH+](C)C	REAL300007996482	0	41	0.0	-67.47	344.98	4.04	-63.43
CCOC(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996483	0	44	0.0	-78.93	364.24	4.18	-74.75
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C[NH+](C)C	REAL300007996484	0	44	0.0	-71.94	365.17	4.21	-67.73
CCOC(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C[NH+](C)C	REAL300007996485	0	44	0.0	-69.81	352.15	5.13	-64.68
CCOC(CNS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996486	0	42	0.0	-67.18	352.76	1.90	-65.28
CCOC(CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C[NH+](C)C	REAL300007996487	0	44	0.0	-76.04	369.39	2.35	-73.69
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C[NH+](C)C	REAL300007996488	0	41	0.0	-70.53	352.95	3.39	-67.14
CCOC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])C[NH+](C)C	REAL300007996489	0	41	0.0	-71.91	340.35	1.22	-70.69
CCOC(CNS(=O)(=O)N1CCCC(C(=O)[O-])C1)C[NH+](C)C	REAL300007996490	0	49	0.0	-68.33	379.82	3.36	-64.97
CCOC(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C[NH+](C)C	REAL300007996491	0	49	0.0	-80.94	380.25	3.55	-77.39
CCOC(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C[NH+](C)C	REAL300007996492	0	44	0.0	-69.81	352.15	5.13	-64.68
CCOC(CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C[NH+](C)C	REAL300007996493	0	44	0.0	-58.14	370.17	5.57	-52.57
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C[NH+](C)C	REAL300007996494	0	41	0.0	-66.62	349.59	2.58	-64.04
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1)C[NH+](C)C	REAL300007996495	0	44	0.0	-72.33	367.22	3.00	-69.33
CCOC(CNS(=O)(=O)N1CCCC1C(=O)[O-])C[NH+](C)C	REAL300007996496	0	46	0.0	-65.43	362.04	3.07	-62.36
CCOC(CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C[NH+](C)C	REAL300007996497	0	47	0.0	-86.54	387.50	4.90	-81.64
CCOC(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C[NH+](C)C	REAL300007996498	0	49	0.0	-80.94	380.25	3.55	-77.39
CCOC(CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996499	0	47	0.0	-78.53	387.51	4.89	-73.64
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C[NH+](C)C	REAL300007996500	0	41	0.0	-66.62	349.59	2.58	-64.04
CCOC(CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C[NH+](C)C	REAL300007996501	0	48	0.0	-74.14	396.27	4.49	-69.65
CCOC(CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC)C[NH+](C)C	REAL300007996502	0	48	0.0	-68.62	402.22	5.38	-63.24
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C[NH+](C)C	REAL300007996503	0	41	0.0	-75.22	353.88	3.29	-71.93
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C[NH+](C)C	REAL300007996504	0	50	0.0	-76.01	394.10	5.83	-70.18
CCOC(CNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-])C[NH+](C)C	REAL300007996505	0	47	0.0	-67.64	381.00	5.21	-62.43
CCOC(CNS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996506	0	51	0.0	-71.72	417.52	3.94	-67.78
CCOC(CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996507	0	41	0.0	-76.53	355.89	3.20	-73.33
CCOC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-])C[NH+](C)C	REAL300007996508	0	47	0.0	-57.00	392.13	6.05	-50.95
CCOC(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C[NH+](C)C	REAL300007996509	0	47	0.0	-70.68	372.33	4.92	-65.76
CCOC(CNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21)C[NH+](C)C	REAL300007996510	0	47	0.0	-64.53	389.60	6.52	-58.01
CCOC(CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C[NH+](C)C	REAL300007996511	0	47	0.0	-75.55	387.34	4.98	-70.57
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1)C[NH+](C)C	REAL300007996512	0	49	0.0	-71.20	398.90	5.29	-65.91
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C[NH+](C)C	REAL300007996513	0	41	0.0	-75.51	347.44	2.34	-73.17
CCOC(CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C[NH+](C)C	REAL300007996514	0	47	0.0	-80.27	386.40	4.96	-75.31
CCOC(CNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996515	0	44	0.0	-74.07	369.26	3.32	-70.75
CCOC(CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996516	0	43	0.0	-71.51	359.41	2.38	-69.13
CCOC(CNS(=O)(=O)C1=CSN=C1C(=O)[O-])C[NH+](C)C	REAL300007996517	0	40	0.0	-72.64	339.33	2.52	-70.12
CCOC(CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C[NH+](C)C	REAL300007996518	0	40	0.0	-69.01	343.78	2.11	-66.90
CCOC(CNS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C[NH+](C)C	REAL300007996519	0	43	0.0	-72.99	349.85	3.48	-69.51
CCOC(CNS(=O)(=O)CCCCCC(=O)[O-])C[NH+](C)C	REAL300007996520	0	49	0.0	-79.05	392.73	4.37	-74.68
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C[NH+](C)C	REAL300007996521	0	43	0.0	-76.43	357.44	2.47	-73.96
CCOC(CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996522	0	44	0.0	-75.67	379.01	4.74	-70.93
CCOC(CNS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996523	0	48	0.0	-71.43	391.52	4.25	-67.18
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C[NH+](C)C	REAL300007996524	0	47	0.0	-73.13	376.72	4.80	-68.33
CCOC(CNS(=O)(=O)N(C)CCC(=O)[O-])C[NH+](C)C	REAL300007996525	0	45	0.0	-74.50	360.14	2.53	-71.97
CCOC(CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12)C[NH+](C)C	REAL300007996526	0	49	0.0	-77.47	395.14	4.69	-72.78
CCOC(CNS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996527	0	51	0.0	-71.72	417.52	3.94	-67.78
CCOC(CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996528	0	44	0.0	-75.67	379.01	4.74	-70.93
CCOC(CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1C)C[NH+](C)C	REAL300007996529	0	44	0.0	-75.39	364.50	4.71	-70.68
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C[NH+](C)C	REAL300007996530	0	47	0.0	-71.59	390.39	5.57	-66.02
CCOC(CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1)C[NH+](C)C	REAL300007996531	0	50	0.0	-81.14	409.24	5.57	-75.57
CCOC(CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C[NH+](C)C	REAL300007996532	0	47	0.0	-86.54	387.50	4.90	-81.64
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C[NH+](C)C	REAL300007996533	0	48	0.0	-86.95	384.57	4.02	-82.93
CCOC(CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996534	0	47	0.0	-78.09	381.46	4.81	-73.28
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C[NH+](C)C	REAL300007996535	0	47	0.0	-76.95	378.54	5.07	-71.88
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC)C[NH+](C)C	REAL300007996536	0	48	0.0	-64.25	397.79	4.23	-60.02
CCOC(CNS(=O)(=O)CC1(CC(=O)[O-])CC1)C[NH+](C)C	REAL300007996537	0	47	0.0	-73.75	374.50	4.10	-69.65
CCOC(CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C[NH+](C)C	REAL300007996538	0	47	0.0	-80.27	386.40	4.96	-75.31
CCOC(CNS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1)C[NH+](C)C	REAL300007996539	0	45	0.0	-66.43	382.41	2.47	-63.96
CCOC(CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1)C[NH+](C)C	REAL300007996540	0	49	0.0	-79.57	398.53	4.93	-74.64
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C[NH+](C)C	REAL300007996541	0	47	0.0	-73.87	390.82	5.08	-68.79
CCOC(CNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1)C[NH+](C)C	REAL300007996542	0	51	0.0	-73.63	409.16	6.03	-67.60
CCOC(CNS(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996543	0	47	0.0	-74.01	389.63	4.12	-69.89
CCOC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C[NH+](C)C	REAL300007996544	0	46	0.0	-66.73	379.28	5.83	-60.90
CCOC(CNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1)C[NH+](C)C	REAL300007996545	0	47	0.0	-74.65	402.71	5.72	-68.93
CCOC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C[NH+](C)C	REAL300007996546	0	46	0.0	-56.28	379.99	5.82	-50.46
CCOC(CNS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996547	0	46	0.0	-66.30	373.63	2.98	-63.32
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C[NH+](C)C	REAL300007996548	0	48	0.0	-75.86	381.50	4.15	-71.71
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1)C[NH+](C)C	REAL300007996549	0	48	0.0	-76.93	391.51	4.26	-72.67
CCOC(CNS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-])C[NH+](C)C	REAL300007996550	0	51	0.0	-77.98	404.86	4.98	-73.00
CCOC(CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C[NH+](C)C	REAL300007996551	0	47	0.0	-77.62	388.28	5.08	-72.54
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1)C[NH+](C)C	REAL300007996552	0	47	0.0	-65.92	400.99	5.22	-60.70
CCOC(CNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C[NH+](C)C	REAL300007996553	0	53	0.0	-79.42	418.34	5.84	-73.58
CCOC(CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C[NH+](C)C	REAL300007996554	0	44	0.0	-62.35	354.31	2.57	-59.78
CCOC(CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C[NH+](C)C	REAL300007996555	0	50	0.0	-73.36	400.38	6.38	-66.98
CCOC(CNS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1)C[NH+](C)C	REAL300007996556	0	44	0.0	-70.40	363.42	3.23	-67.17
CCOC(CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996557	0	44	0.0	-65.26	376.75	4.57	-60.69
CCOC(CNS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C[NH+](C)C	REAL300007996558	0	41	0.0	-89.44	344.63	2.59	-86.85
CCOC(CNS(=O)(=O)C1(C(=O)[O-])CCC1)C[NH+](C)C	REAL300007996559	0	44	0.0	-64.19	348.14	3.50	-60.69
CCOC(CNS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-])C[NH+](C)C	REAL300007996560	0	48	0.0	-61.85	382.82	4.36	-57.49
CCOC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])C[NH+](C)C	REAL300007996561	0	41	0.0	-71.91	340.35	1.22	-70.69
CCOC(CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C[NH+](C)C	REAL300007996562	0	44	0.0	-62.35	354.31	2.57	-59.78
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC)C[NH+](C)C	REAL300007996564	0	51	0.0	-78.64	408.81	4.43	-74.21
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C[NH+](C)C	REAL300007996565	0	43	0.0	-77.33	355.92	2.57	-74.76
CCOC(CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C[NH+](C)C	REAL300007996566	0	47	0.0	-79.63	376.35	5.54	-74.09
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C[NH+](C)C	REAL300007996567	0	41	0.0	-68.06	363.89	2.84	-65.22
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21)C[NH+](C)C	REAL300007996568	0	50	0.0	-72.34	401.30	6.45	-65.89
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C[NH+](C)C)OCC	REAL300007996569	0	51	0.0	-85.14	402.95	5.01	-80.13
CCOC(CNS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-])C[NH+](C)C	REAL300007996570	0	48	0.0	-70.14	380.75	4.53	-65.61
CCOC(CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996571	0	43	0.0	-81.28	360.31	2.38	-78.90
CCOC(CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996572	0	41	0.0	-66.29	345.19	0.52	-65.77
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C[NH+](C)C	REAL300007996573	0	44	0.0	-72.19	365.75	1.92	-70.27
CCOC(CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1)C[NH+](C)C	REAL300007996574	0	50	0.0	-79.88	410.14	6.43	-73.45
CCOC(CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C[NH+](C)C	REAL300007996575	0	44	0.0	-69.81	353.40	3.26	-66.55
CCOC(CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C[NH+](C)C	REAL300007996576	0	47	0.0	-84.53	370.43	4.07	-80.46
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)C[NH+](C)C	REAL300007996577	0	44	0.0	-71.49	375.26	4.11	-67.38
CCOC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-])C[NH+](C)C	REAL300007996578	0	50	0.0	-66.64	397.25	7.44	-59.20
CCOC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F)C[NH+](C)C	REAL300007996579	0	47	0.0	-66.76	388.78	5.77	-60.99
CCOC(CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C[NH+](C)C	REAL300007996580	0	47	0.0	-76.21	374.69	5.67	-70.54
CCOC(CNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C[NH+](C)C	REAL300007996581	0	44	0.0	-76.64	394.35	4.88	-71.76
CCOC(CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C[NH+](C)C	REAL300007996582	0	47	0.0	-75.48	388.22	2.98	-72.50
CCOC(CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C[NH+](C)C	REAL300007996583	0	47	0.0	-68.85	390.83	5.42	-63.43
CCOC(CNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C[NH+](C)C	REAL300007996584	0	44	0.0	-82.81	357.34	3.60	-79.21
CCOC(CNS(=O)(=O)N1CCCCC1C(=O)[O-])C[NH+](C)C	REAL300007996585	0	49	0.0	-72.09	368.61	4.35	-67.74
CCOC(CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C[NH+](C)C	REAL300007996586	0	41	0.0	-66.29	345.19	0.52	-65.77
CCOC(CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C[NH+](C)C	REAL300007996587	0	46	0.0	-65.42	362.47	3.13	-62.29
CCOC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])C[NH+](C)C	REAL300007996588	0	41	0.0	-71.91	340.35	1.22	-70.69
CCOC(CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C[NH+](C)C	REAL300007996589	0	41	0.0	-58.82	362.89	4.70	-54.12
CCOC(CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C[NH+](C)C	REAL300007996590	0	44	0.0	-89.82	344.57	3.88	-85.94
CCOC(CNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)C[NH+](C)C	REAL300007996591	0	46	0.0	-77.58	378.34	3.05	-74.53
CCOC(CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C[NH+](C)C	REAL300007996592	0	47	0.0	-76.21	374.69	5.67	-70.54
CCOC1=CC=C(S(=O)(=O)NCC(C[NH+](C)C)OCC)C=C1C(=O)[O-]	REAL300007996593	0	51	0.0	-85.03	413.38	5.16	-79.87
CCOC(CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C[NH+](C)C	REAL300007996594	0	51	0.0	-74.82	410.27	6.11	-68.71
CCOC(CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C[NH+](C)C	REAL300007996595	0	43	0.0	-64.35	345.64	3.31	-61.04
CCOC(CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1)C[NH+](C)C	REAL300007996596	0	49	0.0	-81.47	405.99	4.57	-76.90
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300007998394	0	58	0.0	-85.91	451.61	6.99	-78.92
CC(C)CCCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007998399	0	52	0.0	-84.84	415.74	7.77	-77.07
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300007999342	0	54	0.0	-88.74	425.86	4.48	-84.26
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300007999347	0	48	0.0	-86.58	390.11	5.25	-81.33