C[NH+](C)C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016105	0	37	0.0	-64.98	295.99	0.26	-64.72
C[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016113	0	35	0.0	-67.26	284.68	2.16	-65.10
C[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016113	1	35	0.0	-67.25	284.66	2.15	-65.10
CC[NH+](CC)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016121	0	40	0.0	-67.77	329.19	1.28	-66.49
CC[NH+](CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016176	0	37	0.0	-66.83	303.23	0.21	-66.62
C[NH+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016190	0	34	0.0	-69.76	293.49	-0.09	-69.85
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](C)CC1	REAL250005016196	0	38	0.0	-69.96	308.55	2.18	-67.78
CCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016229	0	41	0.0	-68.31	333.81	1.76	-66.55
CC(C)[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016236	0	41	0.0	-66.59	325.78	1.33	-65.26
C[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016237	0	35	0.0	-68.87	295.11	0.37	-68.50
O=C(CSC1=NNC(=O)[N-]1)NCCC[NH+]1CCCC1	REAL250005016241	0	38	0.0	-68.46	319.45	1.08	-67.38
O=C(CSC1=NNC(=O)[N-]1)NCCC[NH+]1CCCCC1	REAL250005016243	0	41	0.0	-68.63	334.67	1.76	-66.87
CC[N@@H+]1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016267	0	38	0.0	-65.06	310.17	0.54	-64.52
CC[N@H+]1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016267	1	38	0.0	-64.19	313.85	1.33	-62.86
C[NH+](C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016268	0	40	0.0	-68.52	318.67	1.34	-67.18
CC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016269	0	38	0.0	-67.64	312.76	1.04	-66.60
CC(C)C[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016270	0	41	0.0	-67.94	327.40	3.01	-64.93
O=C(CSC1=NNC(=O)[N-]1)NCC[NH+]1CCCC1	REAL250005016280	0	35	0.0	-67.36	297.95	0.30	-67.06
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](C2CC2)CC1	REAL250005016305	0	39	0.0	-66.32	319.98	1.58	-64.74
CC(C)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016369	1	38	0.0	-66.07	304.88	2.06	-64.01
CC(C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005016424	0	41	0.0	-66.62	332.44	2.25	-64.37
CC(C)[N@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016430	0	40	0.0	-67.72	327.91	1.10	-66.62
CC(C)[N@@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016430	1	40	0.0	-67.70	327.90	1.11	-66.59
O=C(CSC1=NNC(=O)[N-]1)NCC[NH+]1CCCCC1	REAL250005016451	0	38	0.0	-67.49	313.17	0.96	-66.53
CC1CCC[N@H+](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016452	0	41	0.0	-67.15	327.73	1.61	-65.54
CC1CCC[N@@H+](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016452	1	41	0.0	-67.18	327.72	1.61	-65.57
CC1CC[NH+](CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016453	0	41	0.0	-68.28	334.02	1.58	-66.70
C[NH+](C)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL250005016466	0	41	0.0	-65.60	321.68	1.55	-64.05
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@@H+]2CCCCC12	REAL250005016476	0	39	0.0	-65.91	314.68	1.79	-64.12
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@H+]2CCCCC12	REAL250005016476	1	39	0.0	-65.81	314.67	1.80	-64.01
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@@H+]2CCCC2C1	REAL250005016482	0	39	0.0	-65.44	318.34	1.46	-63.98
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@H+]2CCCC2C1	REAL250005016482	1	39	0.0	-65.65	314.79	1.71	-63.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+]1CCCC1	REAL250005016511	0	41	0.0	-65.45	334.18	1.79	-63.66
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CC2CC2)CC1	REAL250005016519	1	39	0.0	-68.91	319.78	3.07	-65.84
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL250005016520	0	38	0.0	-67.60	307.85	2.25	-65.35
CC1=[NH+]C=CN1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016530	1	36	0.0	-63.97	320.59	1.46	-62.51
C[N@@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016533	0	35	0.0	-68.34	297.82	0.21	-68.13
C[N@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016533	1	35	0.0	-68.38	297.70	0.23	-68.15
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+](C2CC2)C1	REAL250005016534	0	39	0.0	-66.49	329.47	1.66	-64.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+](C2CC2)C1	REAL250005016534	1	39	0.0	-66.05	328.69	1.70	-64.35
CC(C)(C)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016541	0	41	0.0	-64.81	317.54	2.26	-62.55
CC[NH+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016569	0	41	0.0	-68.51	332.66	1.75	-66.76
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@@H+](C2CC2)C1	REAL250005016591	0	36	0.0	-66.38	307.65	1.13	-65.25
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@H+](C2CC2)C1	REAL250005016591	1	36	0.0	-65.90	307.10	1.03	-64.87
C[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL250005016599	0	35	0.0	-66.00	301.25	0.54	-65.46
C[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL250005016599	1	35	0.0	-66.03	301.25	0.53	-65.50
CC(C)[N@@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016610	0	41	0.0	-66.28	335.61	1.42	-64.86
CC(C)[N@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016610	1	41	0.0	-66.51	334.71	1.36	-65.15
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@@H+]2CCCCC2C1	REAL250005016611	1	39	0.0	-66.56	311.98	2.55	-64.01
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@H+]2CCCCC2C1	REAL250005016611	1	39	0.0	-66.50	311.94	2.53	-63.97
CC[N@@H+]1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016633	0	41	0.0	-67.72	332.64	1.72	-66.00
CC[N@H+]1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016633	1	41	0.0	-67.68	332.63	1.72	-65.96
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@@H+](C2CC2)CC1	REAL250005016644	0	39	0.0	-63.80	313.46	3.50	-60.30
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@H+](C2CC2)CC1	REAL250005016644	1	39	0.0	-63.78	313.68	3.52	-60.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@@H+]2CCCC2C1	REAL250005016652	0	39	0.0	-62.85	301.09	2.90	-59.95
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@H+]2CCCC2C1	REAL250005016652	1	39	0.0	-62.93	300.75	2.93	-60.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL250005016672	0	34	0.0	-66.42	282.44	-0.24	-66.66
CC1=[NH+]C=CN1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016689	1	33	0.0	-63.62	299.09	0.70	-62.92
C[NH+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016721	0	38	0.0	-69.52	315.01	1.08	-68.44
C[NH+]1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016742	0	41	0.0	-67.98	335.24	1.63	-66.35
C[NH+](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016753	0	35	0.0	-70.13	295.12	1.36	-68.77
CC(C)[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016757	0	41	0.0	-64.99	317.04	3.08	-61.91
CC(C)[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016757	1	41	0.0	-64.99	317.09	3.10	-61.89
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH+]2CCCC2)C1	REAL250005016758	0	39	0.0	-67.89	321.73	2.60	-65.29
CC[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL250005016762	0	38	0.0	-65.56	320.84	1.19	-64.37
CC[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL250005016762	1	38	0.0	-66.35	316.52	1.06	-65.29
COCC[N@H+](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016764	0	38	0.0	-67.97	322.27	-1.03	-69.00
COCC[N@@H+](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016764	1	38	0.0	-68.31	322.32	-1.03	-69.34
CC[NH+]1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016765	0	41	0.0	-68.46	326.19	2.84	-65.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@H+](C)C1CC1	REAL250005016767	0	38	0.0	-64.97	317.46	1.08	-63.89
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+](C)C1CC1	REAL250005016767	1	38	0.0	-63.86	308.75	1.57	-62.29
C[NH+](C)CC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005016777	0	41	0.0	-59.77	320.99	2.90	-56.87
CCC(C)[N@H+](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016780	0	40	0.0	-66.12	321.00	0.91	-65.21
CCC(C)[N@@H+](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016780	1	40	0.0	-66.68	324.74	0.95	-65.73
CCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016781	1	38	0.0	-68.78	309.27	2.24	-66.54
CN(CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL250005016790	0	38	0.0	-63.45	316.05	2.46	-60.99
C[NH+](C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016800	0	38	0.0	-66.40	305.15	2.03	-64.37
CN(C(=O)CSC1=NNC(=O)[N-]1)C1C[NH+]2CCC1CC2	REAL250005016807	0	39	0.0	-72.28	300.06	1.99	-70.29
C[NH+](C)C1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL250005016810	0	41	0.0	-66.35	324.19	1.61	-64.74
C[NH+]1CCC(C#N)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016811	0	36	0.0	-78.14	306.35	0.14	-78.00
CC1C[N@H+](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005016814	1	35	0.0	-70.31	285.31	1.47	-68.84
CC1C[N@@H+](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005016814	1	35	0.0	-69.91	287.01	1.65	-68.26
CC[NH+](CC)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005016831	0	40	0.0	-65.08	325.96	1.69	-63.39
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](C)CC1	REAL250005016833	0	41	0.0	-69.47	332.66	1.85	-67.62
CC[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL250005016837	0	40	0.0	-64.93	320.63	0.74	-64.19
CC[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL250005016837	1	40	0.0	-66.06	314.53	0.62	-65.44
CC(C)[N@H+](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016838	0	37	0.0	-66.26	306.41	0.31	-65.95
CC(C)[N@@H+](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016838	1	37	0.0	-66.28	306.41	0.32	-65.96
C[NH+](C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016841	0	41	0.0	-71.74	327.08	3.01	-68.73
CC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016844	0	38	0.0	-65.35	302.27	2.79	-62.56
CC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016844	1	38	0.0	-65.46	302.08	2.78	-62.68
C[NH+](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016845	0	38	0.0	-69.78	304.83	2.07	-67.71
C=CC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005016846	0	39	0.0	-68.37	326.86	1.59	-66.78
CN(CC1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL250005016857	0	41	0.0	-62.86	328.58	2.99	-59.87
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@@H+]2CCCC2C1	REAL250005016880	0	36	0.0	-66.28	293.75	1.96	-64.32
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@H+]2CCCC2C1	REAL250005016880	1	36	0.0	-66.29	293.73	1.94	-64.35
C[N@@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016889	0	35	0.0	-69.88	291.09	0.90	-68.98
C[N@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016889	1	35	0.0	-69.88	291.08	0.87	-69.01
C[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL250005016896	0	41	0.0	-67.47	332.07	1.68	-65.79
C[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL250005016896	1	41	0.0	-67.55	332.06	1.69	-65.86
CCCC[N@H+](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016900	0	40	0.0	-69.11	332.71	1.31	-67.80
CCCC[N@@H+](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016900	1	40	0.0	-69.11	332.71	1.31	-67.80
C[N@@H+]1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016907	0	38	0.0	-68.97	314.97	1.07	-67.90
C[N@H+]1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005016907	1	38	0.0	-68.97	314.98	1.06	-67.91
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@H+](CC2CC2)C1	REAL250005016910	0	39	0.0	-69.21	327.43	1.94	-67.27
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@@H+](CC2CC2)C1	REAL250005016910	1	39	0.0	-69.21	327.42	1.93	-67.28
CC[N@@H+]1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016916	0	41	0.0	-64.19	325.80	1.93	-62.26
CC[N@H+]1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005016916	1	41	0.0	-65.38	321.33	1.20	-64.18
CCC(C[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005016917	0	41	0.0	-67.32	330.48	2.14	-65.18
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](C2CCC2)CC1	REAL250005016927	1	39	0.0	-66.75	316.72	2.84	-63.91
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](C)C1	REAL250005016989	0	38	0.0	-68.11	303.32	2.65	-65.46
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](C)C1	REAL250005016989	1	38	0.0	-68.80	302.61	2.23	-66.57
CN(CC1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL250005016996	0	41	0.0	-68.40	328.57	2.95	-65.45
CN(CC1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL250005016996	1	41	0.0	-65.24	329.04	2.98	-62.26
CC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL250005017045	0	41	0.0	-68.78	318.02	2.29	-66.49
CC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL250005017045	1	41	0.0	-68.28	325.31	2.68	-65.60
O=C(CSC1=NNC(=O)[N-]1)NCC[NH+]1CC=CC1	REAL250005017048	1	33	0.0	-68.26	289.13	0.05	-68.21
CN(CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL250005017054	0	40	0.0	-66.88	333.08	2.84	-64.04
CC1C[N@H+](C)CCC1N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL250005017059	0	41	0.0	-69.38	319.13	3.13	-66.25
CC1C[N@@H+](C)CCC1N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL250005017059	1	41	0.0	-57.87	308.88	2.44	-55.43
CC(C)C1C[N@H+](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005017066	1	41	0.0	-71.12	308.54	1.90	-69.22
CC(C)C1C[N@@H+](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005017066	1	41	0.0	-71.30	308.28	1.88	-69.42
CCCN(CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL250005017080	0	40	0.0	-66.30	331.55	2.98	-63.32
CC1CC[N@H+](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017094	0	38	0.0	-67.65	317.29	0.86	-66.79
CC1CC[N@@H+](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017094	1	38	0.0	-67.55	318.22	0.91	-66.64
C[NH+](C)C1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017135	0	41	0.0	-71.21	325.09	1.93	-69.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC[N@H+](C)C1	REAL250005017152	0	38	0.0	-66.68	308.65	2.18	-64.50
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC[N@@H+](C)C1	REAL250005017152	1	38	0.0	-69.74	297.64	2.61	-67.13
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL250005017156	0	38	0.0	-68.13	304.81	0.56	-67.57
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL250005017156	1	38	0.0	-66.88	307.92	1.22	-65.66
CC[N@H+](C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017157	0	41	0.0	-69.24	332.88	2.82	-66.42
CC[N@@H+](C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017157	1	41	0.0	-69.31	332.92	2.83	-66.48
CC[NH+](CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017158	0	41	0.0	-67.49	326.43	2.40	-65.09
C[N@@H+]1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL250005017162	0	39	0.0	-62.87	291.63	2.15	-60.72
C[N@H+]1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL250005017162	1	39	0.0	-62.84	291.85	2.18	-60.66
CN(CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL250005017167	0	34	0.0	-65.28	290.09	1.29	-63.99
CCC[N@H+](CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005017174	0	40	0.0	-67.31	324.71	0.95	-66.36
CCC[N@@H+](CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005017174	1	40	0.0	-67.17	329.19	1.24	-65.93
CN(C)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=[NH+]1	REAL250005017198	1	34	0.0	-58.85	296.55	0.93	-57.92
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC[NH2+]1	REAL250005017235	0	35	0.0	-71.83	286.26	0.05	-71.78
CC1C[N@@H+](C2CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL250005017313	0	39	0.0	-62.85	324.12	2.06	-60.79
CC1C[N@H+](C2CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL250005017313	1	39	0.0	-62.54	327.52	1.57	-60.97
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C[N@@H+]1C1CC1	REAL250005017356	0	39	0.0	-64.47	327.32	1.69	-62.78
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C[N@H+]1C1CC1	REAL250005017356	1	39	0.0	-64.73	319.74	1.26	-63.47
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL250005017405	1	38	0.0	-70.12	301.05	2.14	-67.98
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL250005017405	1	38	0.0	-70.08	300.98	2.16	-67.92
CC[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL250005017421	1	38	0.0	-67.34	300.56	2.15	-65.19
CC[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL250005017421	1	38	0.0	-67.35	300.55	2.15	-65.20
CC1C[N@H+](C)C(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005017458	1	38	0.0	-69.02	299.17	2.27	-66.75
CC1C[N@@H+](C)C(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005017458	1	38	0.0	-67.69	301.96	1.96	-65.73
CC1=C[NH+]=CN1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005017485	1	36	0.0	-66.48	320.86	2.17	-64.31
O=C(CSC1=NNC(=O)[N-]1)NCC[NH+]1CCC1	REAL250005017514	1	32	0.0	-67.87	281.45	-0.43	-68.30
C[NH+](C)CC(C)(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005017531	0	38	0.0	-68.96	315.36	-2.03	-70.99
C[NH+]1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005017541	0	41	0.0	-69.76	325.35	1.51	-68.25
CN(C)C1=CC=[NH+]C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL250005017571	0	34	0.0	-58.40	297.85	0.71	-57.69
C[N@H+]1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005017583	0	36	0.0	-70.30	308.66	0.90	-69.40
C[N@@H+]1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005017583	1	36	0.0	-70.37	308.65	0.90	-69.47
CC1C(C)[N@H+](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005017625	1	38	0.0	-69.54	293.73	2.00	-67.54
CC1C(C)[N@@H+](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005017625	1	38	0.0	-67.94	299.88	2.03	-65.91
C[NH+](C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005017639	0	38	0.0	-65.51	326.37	-0.63	-66.14
CC[N@@H+]1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL250005017643	0	41	0.0	-66.94	316.94	2.95	-63.99
CC[N@H+]1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL250005017643	1	41	0.0	-65.11	321.33	2.76	-62.35
C[NH+](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017653	0	32	0.0	-72.20	280.80	0.71	-71.49
C[N@@H+]1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017704	0	36	0.0	-68.40	306.10	-2.73	-71.13
C[N@H+]1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017704	1	36	0.0	-68.03	306.84	-2.82	-70.85
CC(C)[N@@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017722	0	41	0.0	-66.56	325.39	2.06	-64.50
CC(C)[N@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017722	1	41	0.0	-66.61	325.39	2.07	-64.54
C[NH+]1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005017735	0	38	0.0	-67.74	305.08	1.22	-66.52
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=[NH+]C=C1	REAL250005017759	0	28	0.0	-64.98	263.09	-0.96	-65.94
C[NH+](C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005017762	0	38	0.0	-69.95	315.32	2.15	-67.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC[N@H+](C)CC1	REAL250005017765	0	39	0.0	-71.09	325.17	1.69	-69.40
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC[N@@H+](C)CC1	REAL250005017765	1	39	0.0	-71.07	325.19	1.69	-69.38
C[NH+](C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005017802	0	41	0.0	-66.69	316.92	2.84	-63.85
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+]2CCC1CC2	REAL250005017825	0	36	0.0	-72.26	283.21	1.72	-70.54
CCN(CCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL250005017826	0	40	0.0	-66.43	331.55	2.98	-63.45
C[NH+](C)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL250005017847	0	38	0.0	-65.59	306.66	0.57	-65.02
CN(CC[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL250005017858	0	38	0.0	-63.53	319.08	2.68	-60.85
CN(CC[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL250005017858	1	38	0.0	-62.73	319.08	2.69	-60.04
CN(CC1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL250005017878	0	41	0.0	-66.05	315.84	2.83	-63.22
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL250005017904	0	38	0.0	-66.81	312.77	1.71	-65.10
CC[N@H+](CCO)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005017935	0	38	0.0	-67.63	318.06	-2.75	-70.38
CC[N@@H+](CCO)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005017935	1	38	0.0	-67.19	317.84	-2.75	-69.94
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL250005017939	1	38	0.0	-67.40	298.79	1.93	-65.47
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL250005017939	1	38	0.0	-67.39	298.78	1.93	-65.46
CC1=[NH+]C=CN1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005017957	1	36	0.0	-63.97	320.59	1.46	-62.51
CC1=[NH+]C=CN1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005017990	1	36	0.0	-63.97	320.59	1.46	-62.51
CN(CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL250005017994	0	41	0.0	-64.63	337.27	3.22	-61.41
C[NH+](C)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL250005018005	0	38	0.0	-62.11	308.99	1.00	-61.11
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC[NH+]1CCC2	REAL250005018044	0	39	0.0	-64.20	315.54	1.37	-62.83
C[NH+]1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL250005018046	0	36	0.0	-70.23	304.93	1.47	-68.76
CCC1C[N@H+](C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005018050	0	41	0.0	-65.33	316.89	2.70	-62.63
CCC1C[N@@H+](C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005018050	1	41	0.0	-67.38	318.28	3.26	-64.12
C[N@H+]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL250005018052	0	36	0.0	-72.34	297.71	1.57	-70.77
C[N@@H+]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL250005018052	1	36	0.0	-69.38	297.24	1.57	-67.81
CC1=CC[N@H+](CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005018063	0	39	0.0	-68.96	326.49	1.53	-67.43
CC1=CC[N@@H+](CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005018063	1	39	0.0	-69.02	326.44	1.53	-67.49
O=C(CSC1=NNC(=O)[N-]1)NCC[N@H+]1CC=CCC1	REAL250005018064	1	36	0.0	-68.48	305.68	0.89	-67.59
O=C(CSC1=NNC(=O)[N-]1)NCC[N@@H+]1CC=CCC1	REAL250005018064	1	36	0.0	-68.45	305.70	0.89	-67.56
C=CC[N@@H+](C)CCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL250005018082	0	41	0.0	-65.19	341.03	3.43	-61.76
C=CC[N@H+](C)CCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL250005018082	1	41	0.0	-64.99	342.29	3.48	-61.51
CC[NH+](CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005018097	0	40	0.0	-64.31	315.07	1.15	-63.16
O=C(CSC1=NNC(=O)[N-]1)NCC[N@H+]1CC=CCC1	REAL250005018113	1	36	0.0	-68.48	305.68	0.89	-67.59
O=C(CSC1=NNC(=O)[N-]1)NCC[N@@H+]1CC=CCC1	REAL250005018113	1	36	0.0	-68.45	305.70	0.89	-67.56
C[NH+](C)CC(CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005018130	0	35	0.0	-65.57	300.56	-2.90	-68.47
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005018133	0	40	0.0	-64.87	325.12	1.52	-63.35
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005018133	1	40	0.0	-65.09	321.20	2.07	-63.02
C[C@@H](C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005018137	0	34	0.0	-67.55	290.71	0.33	-67.22
CCC[N@@H+]1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005018143	0	41	0.0	-65.47	338.12	1.62	-63.85
CCC[N@H+]1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005018143	1	41	0.0	-65.90	331.70	1.29	-64.61
CC[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL250005018191	1	38	0.0	-67.99	304.75	2.30	-65.69
CC[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL250005018191	1	38	0.0	-68.35	302.92	2.10	-66.25
C[NH+](C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005018200	0	35	0.0	-69.30	299.91	0.46	-68.84
CCC1C[N@H+](CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005018216	1	41	0.0	-68.48	321.36	2.70	-65.78
CCC1C[N@@H+](CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005018216	1	41	0.0	-69.33	324.83	3.28	-66.05
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL250005018221	0	36	0.0	-71.29	306.63	2.16	-69.13
CCC(C)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005018237	0	41	0.0	-66.01	319.97	2.62	-63.39
C[NH+]1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL250005018254	0	39	0.0	-69.22	301.00	2.38	-66.84
C[NH+](C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005018268	0	35	0.0	-74.53	298.64	1.22	-73.31
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@@H+]2CCC1C2	REAL250005018270	1	33	0.0	-70.11	269.67	0.91	-69.20
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@H+]2CCC1C2	REAL250005018270	1	33	0.0	-70.12	269.68	0.90	-69.22
C[N@@H+]1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL250005018296	0	36	0.0	-70.09	292.05	1.30	-68.79
C[N@H+]1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL250005018296	1	36	0.0	-68.85	298.18	1.69	-67.16
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](C)CC1	REAL250005018305	0	41	0.0	-63.45	326.15	3.17	-60.28
C[N@@H+]1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL250005018334	0	39	0.0	-73.68	311.36	2.01	-71.67
C[N@H+]1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL250005018334	1	39	0.0	-73.05	317.97	2.39	-70.66
CCC1C[N@H+](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005018345	1	38	0.0	-71.06	296.46	1.56	-69.50
CCC1C[N@@H+](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005018345	1	38	0.0	-70.47	303.76	2.08	-68.39
CC1C([NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005018392	0	38	0.0	-71.08	304.40	1.71	-69.37
C[N@@H+]1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL250005018408	0	39	0.0	-70.65	319.50	2.20	-68.45
C[N@H+]1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL250005018408	1	39	0.0	-70.47	318.24	2.19	-68.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL250005018415	0	37	0.0	-66.84	308.94	0.67	-66.17
C#CC[N@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005018440	0	36	0.0	-70.99	318.69	1.13	-69.86
C#CC[N@@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005018440	1	36	0.0	-70.98	318.70	1.13	-69.85
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H](C)[N@H+]1C	REAL250005018441	1	38	0.0	-65.09	304.08	1.82	-63.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H](C)[N@@H+]1C	REAL250005018441	1	38	0.0	-65.43	297.73	1.42	-64.01
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005018483	0	40	0.0	-65.10	321.25	2.07	-63.03
CC(C)[N@H+](C)C[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005018483	1	40	0.0	-64.82	325.12	1.52	-63.30
C[NH+](C)CC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005018513	0	37	0.0	-69.30	296.31	1.38	-67.92
CC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL250005018520	0	41	0.0	-64.72	321.28	3.41	-61.31
CC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL250005018520	1	41	0.0	-65.65	317.44	3.31	-62.34
C[N@H+](CCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL250005018532	0	41	0.0	-67.19	344.25	2.10	-65.09
C[N@@H+](CCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL250005018532	1	41	0.0	-67.18	344.25	2.09	-65.09
C[N@@H+]1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005018551	0	41	0.0	-70.31	327.59	1.16	-69.15
C[N@H+]1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005018551	1	41	0.0	-70.25	327.58	1.16	-69.09
CC1(C)CCC[N@@H+]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005018590	0	41	0.0	-64.07	330.68	1.08	-62.99
CC1(C)CCC[N@H+]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005018590	1	41	0.0	-64.03	330.71	1.09	-62.94
CC(C)[N@@H+]1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005018598	0	41	0.0	-65.67	325.72	2.51	-63.16
CC(C)[N@H+]1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005018598	1	41	0.0	-65.22	327.91	2.58	-62.64
CC(C)(C[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005018646	0	41	0.0	-67.76	319.13	1.60	-66.16
C[NH+](C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005018661	0	41	0.0	-69.32	325.09	1.94	-67.38
C[NH+](C)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005018671	0	35	0.0	-65.10	293.40	0.52	-64.58
CN(CC1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL250005018690	0	38	0.0	-66.32	303.92	1.99	-64.33
CN(CC1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL250005018690	1	38	0.0	-62.25	310.48	2.59	-59.66
C[N@@H+]1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL250005018702	0	39	0.0	-67.28	308.77	2.34	-64.94
C[N@H+]1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL250005018702	1	39	0.0	-66.06	312.41	2.44	-63.62
C[NH+](C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL250005018731	0	41	0.0	-68.14	329.70	1.71	-66.43
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL250005018732	0	39	0.0	-67.44	325.20	1.62	-65.82
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@H+](C)C1	REAL250005018740	0	41	0.0	-63.39	329.03	3.10	-60.29
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@@H+](C)C1	REAL250005018740	1	41	0.0	-62.04	328.48	3.09	-58.95
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL250005018741	0	34	0.0	-66.35	284.20	0.10	-66.25
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005018792	0	38	0.0	-68.13	321.22	1.10	-67.03
CC[N@H+]1[C@H](C)CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL250005018805	0	41	0.0	-68.53	314.27	1.98	-66.55
O=C(CSC1=NNC(=O)[N-]1)NCC12CC[N@H+](C1)CCC2	REAL250005018809	0	39	0.0	-68.78	311.23	0.77	-68.01
O=C(CSC1=NNC(=O)[N-]1)NCC12CC[N@@H+](C1)CCC2	REAL250005018809	1	39	0.0	-68.78	311.23	0.77	-68.01
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL250005018821	0	37	0.0	-67.20	303.08	-1.86	-69.06
CN(CC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL250005018825	0	41	0.0	-63.48	331.00	3.11	-60.37
C[N@@H+]1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL250005018837	0	39	0.0	-71.43	316.88	2.38	-69.05
C[N@H+]1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL250005018837	1	39	0.0	-71.43	316.88	2.38	-69.05
CC(C)C(C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005018840	0	40	0.0	-68.42	324.95	1.64	-66.78
CC1C[N@H+](C)C(C)C(C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL250005018841	0	41	0.0	-68.58	310.19	2.73	-65.85
O=C(CSC1=NNC(=O)[N-]1)N1CC(N2CC[C@@H](O)C2)C1	REAL250005018881	0	37	0.0	-71.88	317.19	-1.44	-73.32
O=C(CSC1=NNC(=O)[N-]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1	REAL250005018881	1	37	0.0	-72.13	317.12	-1.56	-73.69
O=C(CSC1=NNC(=O)[N-]1)N1CC([N@H+]2CC[C@@H](O)C2)C1	REAL250005018881	1	37	0.0	-72.13	317.12	-1.56	-73.69
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL250005018956	0	37	0.0	-68.76	306.89	0.27	-68.49
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@H+](CC)C1	REAL250005018958	0	41	0.0	-57.85	326.45	3.25	-54.60
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@@H+](CC)C1	REAL250005018958	1	41	0.0	-57.85	326.45	3.25	-54.60
CC(C)(C)[N@@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005018976	0	41	0.0	-64.71	326.76	1.14	-63.57
CC(C)(C)[N@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005018976	1	41	0.0	-64.71	326.76	1.14	-63.57
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@H+](C)C1	REAL250005018977	0	38	0.0	-61.08	307.75	2.33	-58.75
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@@H+](C)C1	REAL250005018977	1	38	0.0	-61.08	307.75	2.33	-58.75
CC(C)(C)[N@@H+]1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005018983	0	41	0.0	-63.73	324.37	1.82	-61.91
C[N@@H+]1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019018	0	41	0.0	-69.26	325.01	1.58	-67.68
C[N@H+]1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019018	1	41	0.0	-69.26	325.01	1.58	-67.68
C[N@@H+]1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019045	0	35	0.0	-65.60	292.44	0.37	-65.23
C[N@H+]1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019045	1	35	0.0	-65.60	292.44	0.37	-65.23
C[N@@H+]1CCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019053	0	38	0.0	-68.88	311.68	0.57	-68.31
C[N@H+]1CCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019053	1	38	0.0	-68.88	311.68	0.57	-68.31
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C1CC1	REAL250005019071	0	36	0.0	-66.64	304.89	1.14	-65.50
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+]1C1CC1	REAL250005019071	1	36	0.0	-66.27	302.15	0.35	-65.92
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+]1C1CC1	REAL250005019071	1	36	0.0	-66.27	302.15	0.35	-65.92
CC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[NH2+]1	REAL250005019075	0	38	0.0	-72.66	303.01	0.52	-72.14
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH+]2CCC2)CC1	REAL250005019082	0	39	0.0	-68.96	317.00	2.56	-66.40
CC1=CC(NNC(=O)CSC2=NNC(=O)[N-]2)=CC=[NH+]1	REAL250005019095	0	31	0.0	-61.95	284.48	-0.37	-62.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@H+](C)C1	REAL250005019115	0	35	0.0	-67.88	289.62	1.34	-66.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@@H+](C)C1	REAL250005019115	1	35	0.0	-68.29	290.53	1.42	-66.87
CCC[N@@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019138	0	38	0.0	-68.79	317.62	1.15	-67.64
CCC[N@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019138	1	38	0.0	-68.24	317.10	1.03	-67.21
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H](C)[NH2+]1	REAL250005019151	0	38	0.0	-68.14	310.34	0.79	-67.35
CN(CC[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL250005019173	0	38	0.0	-65.54	317.90	-1.27	-66.81
CN(CC[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL250005019173	1	38	0.0	-62.74	317.85	-1.28	-64.02
C[NH+](C)C1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005019229	0	41	0.0	-68.24	310.32	2.03	-66.21
O=C(CSC1=NNC(=O)[N-]1)NCC[N@H+]1CC[C@H](O)C1	REAL250005019235	0	36	0.0	-69.07	308.40	-3.07	-72.14
O=C(CSC1=NNC(=O)[N-]1)NCC[N@@H+]1CC[C@H](O)C1	REAL250005019235	1	36	0.0	-69.16	308.89	-3.06	-72.22
O=C(CSC1=NNC(=O)[N-]1)NCC[N@H+]1CC[C@@H](O)C1	REAL250005019266	0	36	0.0	-69.45	309.08	-3.08	-72.53
O=C(CSC1=NNC(=O)[N-]1)NCC[N@@H+]1CC[C@@H](O)C1	REAL250005019266	1	36	0.0	-69.08	308.37	-3.06	-72.14
C[NH+](C)CC#CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019285	0	33	0.0	-69.49	301.25	0.67	-68.82
C[NH+]1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL250005019287	1	36	0.0	-70.35	293.06	2.22	-68.13
O=C(CSC1=NNC(=O)[N-]1)NC12CC[NH+](CC1)C2	REAL250005019295	0	33	0.0	-68.97	278.20	-0.82	-69.79
C[N@@H+]1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21	REAL250005019342	0	39	0.0	-68.99	313.76	2.31	-66.68
C[N@H+]1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21	REAL250005019342	1	39	0.0	-69.66	309.18	2.04	-67.62
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL250005019345	0	41	0.0	-67.68	318.94	2.54	-65.14
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL250005019345	1	41	0.0	-67.82	316.00	2.20	-65.62
CC1=CC(NNC(=O)CSC2=NNC(=O)[N-]2)=NC(N)=[NH+]1	REAL250005019366	0	32	0.0	-60.04	296.88	-0.10	-60.14
O=C(CSC1=NNC(=O)[N-]1)NC12CC[N@H+](C1)CCC2	REAL250005019370	0	36	0.0	-64.97	287.15	-0.11	-65.08
O=C(CSC1=NNC(=O)[N-]1)NC12CC[N@@H+](C1)CCC2	REAL250005019370	1	36	0.0	-61.60	285.56	-0.13	-61.73
CC[N@@H+]1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019400	0	35	0.0	-66.28	297.84	0.45	-65.83
CC[N@H+]1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019400	1	35	0.0	-66.17	298.51	0.40	-65.77
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL250005019431	1	38	0.0	-67.40	298.79	1.93	-65.47
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL250005019431	1	38	0.0	-67.39	298.78	1.93	-65.46
O=C(CSC1=NNC(=O)[N-]1)NC1C[NH+]2CCC1CC2	REAL250005019442	0	36	0.0	-65.42	292.74	0.71	-64.71
CN(CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL250005019452	0	40	0.0	-66.88	333.08	2.84	-64.04
C[N@@H+]1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL250005019464	0	39	0.0	-71.52	303.57	1.76	-69.76
C[N@H+]1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL250005019464	1	39	0.0	-71.51	303.55	1.75	-69.76
CCC1=[NH+]C=CN1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019510	1	36	0.0	-63.43	316.32	1.17	-62.26
C[NH+](C)CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019512	0	41	0.0	-70.13	337.13	2.88	-67.25
C#CC[N@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019523	1	37	0.0	-70.59	316.27	2.09	-68.50
C#CC[N@@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019523	1	37	0.0	-70.00	320.29	1.55	-68.45
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL250005019535	0	39	0.0	-61.81	306.78	3.09	-58.72
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL250005019535	1	39	0.0	-66.36	304.51	3.15	-63.21
C[N@@H+]1CC(O)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019538	0	36	0.0	-68.27	303.34	-2.94	-71.21
C[N@H+]1CC(O)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019538	1	36	0.0	-68.28	303.26	-2.93	-71.21
C[N@H+](CCO)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019539	0	35	0.0	-68.31	300.07	-3.44	-71.75
C[N@@H+](CCO)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019539	1	35	0.0	-67.99	300.02	-3.44	-71.43
C#CC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005019572	0	37	0.0	-70.14	319.79	1.52	-68.62
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL250005019575	0	35	0.0	-67.17	297.37	0.20	-66.97
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL250005019575	1	35	0.0	-67.57	292.60	0.69	-66.88
CC1=[NH+]C(C)=C(CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL250005019590	1	33	0.0	-62.03	299.89	-0.78	-62.81
C[N@@H+]1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019593	1	32	0.0	-67.07	276.38	-0.43	-67.50
C[N@H+]1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019593	1	32	0.0	-66.95	277.25	-0.47	-67.42
CC[N@@H+]1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019628	0	38	0.0	-67.93	312.76	1.01	-66.92
CC[N@H+]1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019628	1	38	0.0	-68.45	308.76	1.54	-66.91
C[N@@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL250005019629	0	38	0.0	-64.91	312.83	0.93	-63.98
C[N@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL250005019629	1	38	0.0	-65.43	312.67	1.09	-64.34
CCC1=[NH+]C=CN1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019631	1	36	0.0	-63.43	316.32	1.17	-62.26
CC[N@@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL250005019649	0	41	0.0	-64.10	332.29	1.64	-62.46
CC[N@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL250005019649	1	41	0.0	-64.60	332.34	1.82	-62.78
O=C(CSC1=NNC(=O)[N-]1)N1CC([NH2+]C2CCOC2)C1	REAL250005019659	0	37	0.0	-79.46	313.77	-1.54	-81.00
O=C(CSC1=NNC(=O)[N-]1)N1CC([NH2+]C2COC2)C1	REAL250005019693	1	34	0.0	-80.38	301.48	-2.21	-82.59
C[N@@H+]1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL250005019694	0	39	0.0	-73.92	317.70	2.05	-71.87
C[N@H+]1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL250005019694	1	39	0.0	-73.70	318.75	2.10	-71.60
O=C(CSC1=NNC(=O)[N-]1)NCC1C[NH+]2CCC1CC2	REAL250005019746	0	39	0.0	-68.82	313.00	1.10	-67.72
C[N@@H+]1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019771	0	38	0.0	-65.46	302.67	0.78	-64.68
C[N@H+]1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL250005019771	1	38	0.0	-65.40	302.65	0.78	-64.62
CC[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL250005019780	0	41	0.0	-64.97	316.50	2.53	-62.44
CC[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL250005019780	1	41	0.0	-65.00	316.46	2.55	-62.45
CC1(C)CC[N@H+](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019845	0	41	0.0	-67.64	337.41	1.39	-66.25
CC1(C)CC[N@@H+](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005019845	1	41	0.0	-67.62	337.72	1.39	-66.23
C[NH+]1CCC2(CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005019917	0	39	0.0	-61.37	313.70	2.21	-59.16
O=C(CSC1=NNC(=O)[N-]1)NCC12CC[NH+](CC1)CC2	REAL250005019947	0	39	0.0	-70.95	312.59	1.28	-69.67
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](C)C1	REAL250005019960	0	41	0.0	-68.63	322.36	3.29	-65.34
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](C)C1	REAL250005019960	1	41	0.0	-70.70	321.82	3.04	-67.66
C[C@H](C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005019974	0	34	0.0	-67.56	290.70	0.33	-67.23
C[NH+](C)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005019989	0	35	0.0	-63.67	297.79	1.01	-62.66
C[NH+](C)C1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005020006	0	38	0.0	-65.86	304.42	1.57	-64.29
C[N@@H+]1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL250005020053	0	39	0.0	-64.91	312.90	2.33	-62.58
C[N@H+]1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL250005020053	1	39	0.0	-69.24	317.53	1.34	-67.90
CC1=[NH+]C=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL250005020061	1	34	0.0	-61.56	294.62	1.97	-59.59
C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005020069	1	33	0.0	-72.85	287.87	-3.69	-76.54
C[N@H+]1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005020069	1	33	0.0	-73.89	288.23	-3.68	-77.57
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL250005020109	0	38	0.0	-66.81	312.77	1.71	-65.10
C[NH+](C)CCC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005020122	0	40	0.0	-72.01	320.04	0.91	-71.10
CC[N@H+](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005020149	0	34	0.0	-67.82	289.72	-0.22	-68.04
CC[N@@H+](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL250005020149	1	34	0.0	-67.82	289.72	-0.21	-68.03
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL250005020181	0	36	0.0	-72.24	300.76	-1.99	-74.23
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL250005020181	1	36	0.0	-73.73	298.63	-1.74	-75.47
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL250005020201	1	36	0.0	-68.58	309.78	-1.33	-69.91
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL250005020201	1	36	0.0	-67.41	309.78	-1.34	-68.75
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCC1	REAL250005020205	0	41	0.0	-62.55	322.56	1.46	-61.09
C[NH+](C)CCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL250005020207	0	41	0.0	-64.63	333.96	2.94	-61.69
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL250005020211	1	36	0.0	-69.37	294.67	1.80	-67.57
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL250005020211	1	36	0.0	-68.47	297.09	1.98	-66.49
C[N@@H+]1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL250005020223	0	36	0.0	-64.18	302.77	0.38	-63.80
C[N@H+]1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL250005020223	1	36	0.0	-64.51	301.08	0.36	-64.15
CC[N@H+](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005020261	0	38	0.0	-68.75	312.70	2.02	-66.73
CC[N@@H+](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005020261	1	38	0.0	-68.79	312.71	2.02	-66.77
C[NH+]1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL250005020266	0	39	0.0	-72.33	322.64	2.39	-69.94
CC(C)[NH2+]C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005020413	0	41	0.0	-68.02	327.41	1.34	-66.68
O=C(CSC1=NNC(=O)[N-]1)NCCCCC1=[NH+]C=CN1	REAL250005020421	1	36	0.0	-66.66	321.16	0.33	-66.33
C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL250005020431	1	38	0.0	-72.30	288.20	1.14	-71.16
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL250005020431	1	38	0.0	-71.91	295.11	1.68	-70.23
C=CC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005020510	1	39	0.0	-65.21	315.16	3.31	-61.90
C=CC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005020510	1	39	0.0	-65.98	316.66	3.37	-62.61
C=CC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005020533	1	39	0.0	-65.21	315.16	3.31	-61.90
C=CC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL250005020533	1	39	0.0	-65.98	316.66	3.37	-62.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C1CC1	REAL250005020562	1	39	0.0	-65.27	311.90	2.88	-62.39
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C1CC1	REAL250005020562	1	39	0.0	-64.24	312.67	2.56	-61.68
C[N@@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL250005020576	0	39	0.0	-62.25	318.84	1.10	-61.15
C[N@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL250005020576	1	39	0.0	-62.58	318.50	1.10	-61.48
C[NH+](C)C1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005020584	0	41	0.0	-63.12	319.88	3.01	-60.11
C[N@@H+]1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL250005020591	0	36	0.0	-66.42	295.03	1.68	-64.74
C[N@H+]1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL250005020591	1	36	0.0	-65.52	295.05	1.69	-63.83
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL250005020592	0	36	0.0	-68.70	304.13	-1.48	-70.18
C[N@@H+]1CC2CC1CC2NC(=O)CSC1=NNC(=O)[N-]1	REAL250005020608	0	36	0.0	-67.16	297.31	0.69	-66.47
C[N@H+]1CC2CC1CC2NC(=O)CSC1=NNC(=O)[N-]1	REAL250005020608	1	36	0.0	-67.71	294.82	0.48	-67.23
O=C(CSC1=NNC(=O)[N-]1)NNC1=[NH+]CCS1	REAL250005020671	1	27	0.0	-58.49	263.77	-1.52	-60.01
C[NH+](C)CCN(CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL250005020702	0	38	0.0	-63.39	319.33	-1.00	-64.39
O=C(CSC1=NNC(=O)[N-]1)NC1=CN2C=[NH+]C=C2C=C1	REAL250005020778	0	30	0.0	-66.35	280.76	2.67	-63.68
O=C(CSC1=NNC(=O)[N-]1)NCC[NH+]1CC2CC2C1	REAL250005020813	0	36	0.0	-67.98	307.76	1.03	-66.95
CC1=CC(C)=[NH+]C(NNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL250005020819	1	34	0.0	-56.88	305.66	1.18	-55.70
C[NH+](C)[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL250005020903	0	41	0.0	-63.13	319.95	3.02	-60.11
C[NH+](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL250005020930	0	41	0.0	-72.76	329.78	2.66	-70.10
C[N@@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL250005021005	0	41	0.0	-67.95	324.87	1.76	-66.19
C[N@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL250005021005	1	41	0.0	-67.91	324.86	1.75	-66.16
C[C@@H](C[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL250005021006	0	38	0.0	-66.22	316.42	1.50	-64.72