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CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024348179	0	48	-1.0	-48.91	399.74	1.89	-47.02
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COC(=O)C1=CC=C(NNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024348194	0	33	-1.0	-45.14	316.82	0.31	-44.83
CCOC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300024348195	0	36	-1.0	-44.74	334.72	-0.43	-45.17
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NS(=O)(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1O	REAL300024348197	1	32	-1.0	-48.35	311.78	-6.61	-54.96
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COC1=CC=C(S(=O)(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024348200	0	42	-1.0	-51.94	387.42	-2.24	-54.18
CCOC(=O)CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024348201	0	47	-1.0	-47.07	374.31	3.09	-43.98
CSC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1[NH+](C)C	REAL300024348202	0	39	0.0	-64.54	323.79	1.96	-62.58
CC(C)(C)OC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348203	0	43	-1.0	-48.77	369.48	0.21	-48.56
C[N@@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300024348204	0	45	0.0	-82.30	377.48	3.22	-79.08
C[N@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300024348204	1	45	0.0	-74.29	396.67	4.55	-69.74
CN1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300024348204	1	44	-1.0	-45.19	396.82	2.39	-42.80
C[NH+](C)CCOC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024348205	0	44	0.0	-66.47	379.77	-0.06	-66.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300024348206	0	34	-1.0	-51.04	310.42	2.10	-48.94
COC(=O)CCSC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348207	0	39	-1.0	-48.46	365.27	3.43	-45.03
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CC1=C(C(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)SC(C(C)C)=N1	REAL300024348210	0	43	-1.0	-44.74	370.57	3.07	-41.67
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O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300024348212	0	26	-2.0	-86.32	287.37	-0.25	-86.57
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2=CC=CC(O)=C21	REAL300024348213	0	34	-1.0	-45.22	291.78	2.36	-42.86
O=C(CSC1=NNC(=O)[N-]1)N[C@H](CO)CC1=CC=C(O)C=C1	REAL300024348214	0	37	-1.0	-47.68	334.89	-3.48	-51.16
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC2=NNC=C21	REAL300024348215	0	32	-1.0	-49.57	295.02	0.09	-49.48
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=C(Cl)C=C2C1	REAL300024348216	0	33	-1.0	-43.59	307.07	3.69	-39.90
CCC1=CC=C(OC(=O)CSC2=NNC(=O)[N-]2)C(OC)=C1	REAL300024348217	0	35	-1.0	-44.63	320.25	4.16	-40.47
COC1=CC=C(CC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348218	0	45	-1.0	-46.95	375.12	4.19	-42.76
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2CCCCC2)CCCCC1	REAL300024348219	0	51	-1.0	-42.67	372.33	5.18	-37.49
CN1CCOC(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(Cl)C=C2)C1	REAL300024348220	0	45	-1.0	-42.85	388.46	0.64	-42.21
CCS(=O)(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348221	0	40	-1.0	-51.09	352.66	-2.16	-53.25
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(C2=NC=CC=C2F)N=C1	REAL300024348222	0	32	-1.0	-51.58	308.40	1.31	-50.27
CC1(C)CC(C)(C)C2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C21	REAL300024348223	0	45	-1.0	-43.93	367.53	4.58	-39.35
COC1=CC=C(CN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CO)C(C)C)C=C1	REAL300024348224	0	49	-1.0	-49.46	383.80	1.81	-47.65
COC(=O)C1=CSC(NC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024348225	0	32	-1.0	-43.73	308.63	1.11	-42.62
CC1(C)CN(C(=O)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348226	0	43	-1.0	-46.38	349.65	2.79	-43.59
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C2=CC=C(Cl)C=C2)C1	REAL300024348227	0	38	-1.0	-43.76	342.60	1.08	-42.68
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(C(F)(F)F)=CC=C1F	REAL300024348228	0	31	-1.0	-43.44	309.29	1.44	-42.00
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CC(C)(C)OC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024348230	0	46	-1.0	-44.30	382.40	0.86	-43.44
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=CC=CC(OC(F)F)=C2)C1	REAL300024348231	0	41	-1.0	-46.73	362.20	2.01	-44.72
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=CC=C2C1CC1=CC=CC=C1	REAL300024348232	0	46	-1.0	-43.87	374.09	6.78	-37.09
CCC(C)N1N=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1C1CC1	REAL300024348233	0	42	-1.0	-46.95	359.14	2.79	-44.16
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C2=CC=CC=C2F)C1	REAL300024348234	0	41	-1.0	-45.49	348.40	1.46	-44.03
COC(=O)C(CNC(=O)CSC1=NNC(=O)[N-]1)OC1=CC=C(F)C=C1	REAL300024348235	0	39	-1.0	-47.48	363.34	1.87	-45.61
CCC1=CC=C([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348236	0	38	-1.0	-43.17	334.34	3.13	-40.04
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(CN2CCOCC2)=N1	REAL300024348237	0	41	-1.0	-51.23	352.69	-0.45	-51.68
CC(C)(C)C1=CC=C(C(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348238	0	50	-1.0	-43.74	399.84	5.00	-38.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OC2=CC=CC=C2Cl)CC1	REAL300024348239	0	40	-1.0	-46.56	354.09	4.01	-42.55
CC1=C(C)SC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024348240	0	40	-1.0	-45.04	349.29	1.42	-43.62
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C(=O)NCCO)C=C1	REAL300024348241	0	37	-1.0	-48.99	337.35	-3.47	-52.46
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300024348242	0	46	0.0	-73.00	379.14	1.15	-71.85
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300024348243	0	46	0.0	-70.90	369.76	1.81	-69.09
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1CN1CCC(O)CC1	REAL300024348243	1	45	-1.0	-44.77	365.87	-0.44	-45.21
COC1=CC=CC=C1C1=NNC(C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348244	0	41	-1.0	-47.77	375.48	-0.77	-48.54
COC1=CC=CC=C1C1=CC(C(=O)[N-]NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024348244	1	40	-2.0	-102.31	376.89	-1.72	-104.03
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1=CC(C2=CC=CS2)=NN1	REAL300024348245	0	34	-1.0	-45.27	340.44	-1.23	-46.50
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NNC(C2=CC=CS2)=C1	REAL300024348245	1	33	-2.0	-99.20	339.27	-2.09	-101.29
CCC1=CC=C(C2=NNC(C(=O)NNC(=O)CSC3=NNC(=O)[N-]3)=C2)C=C1	REAL300024348246	0	43	-1.0	-45.32	391.08	1.09	-44.23
CCC1=CC=C(C2=CC(C(=O)[N-]NC(=O)CSC3=NNC(=O)[N-]3)=NN2)C=C1	REAL300024348246	1	42	-2.0	-99.22	388.89	0.23	-98.99
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1	REAL300024348247	0	37	-1.0	-45.23	354.60	-0.29	-45.52
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NNC(C2=CC=C(F)C=C2)=C1	REAL300024348247	1	36	-2.0	-97.14	352.41	-1.15	-98.29
CC1=CC=C(C2=NNC(C(=O)NNC(=O)CSC3=NNC(=O)[N-]3)=C2)C=C1C	REAL300024348248	0	43	-1.0	-45.85	386.64	0.84	-45.01
CC1=CC=C(C2=CC(C(=O)[N-]NC(=O)CSC3=NNC(=O)[N-]3)=NN2)C=C1C	REAL300024348248	1	42	-2.0	-99.72	384.38	-0.01	-99.73
CC1=CC=C(C)C(C2=NNC(C(=O)NNC(=O)CSC3=NNC(=O)[N-]3)=C2)=C1	REAL300024348249	0	43	-1.0	-45.37	384.92	1.19	-44.18
CC1=CC=C(C)C(C2=CC(C(=O)[N-]NC(=O)CSC3=NNC(=O)[N-]3)=NN2)=C1	REAL300024348249	1	42	-2.0	-99.71	386.23	0.17	-99.54
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CC(C)(C)OC(=O)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348263	0	44	-1.0	-48.26	352.48	4.49	-43.77
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COC1=CC=C(C(=O)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348267	0	35	-1.0	-45.71	322.84	0.06	-45.65
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COC(=O)CN1N=C(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024348269	0	41	-1.0	-50.89	371.10	0.65	-50.24
N#CC1=CC=C(C2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024348270	0	38	-1.0	-46.37	346.11	4.99	-41.38
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C2CCCC2=C1	REAL300024348271	0	39	-1.0	-43.69	337.00	3.59	-40.10
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CCOC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024348273	1	32	-1.0	-45.72	305.88	-0.40	-46.12
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CC(C)OC1=CC=CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348278	0	42	-1.0	-44.93	360.42	3.84	-41.09
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NC(=O)CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348284	0	39	-1.0	-51.18	328.44	-0.87	-52.05
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CC(O)(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024348287	0	36	-1.0	-44.10	324.55	-0.92	-45.02
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CCOC(=O)C1=CN=C(NNC(=O)CSC2=NNC(=O)[N-]2)N=C1C	REAL300024348294	0	38	-1.0	-43.87	350.24	2.16	-41.71
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C[NH+]1CCC(CCO)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348297	0	42	0.0	-72.71	332.92	-1.20	-73.91
CC1=NN=C(CNC(=O)CSC2=NNC(=O)[N-]2)N1C1CC1	REAL300024348298	0	35	-1.0	-48.48	318.86	1.19	-47.29
CC(C)C1=NN=C(CNC(=O)CSC2=NNC(=O)[N-]2)N1C	REAL300024348299	0	37	-1.0	-48.79	331.35	0.74	-48.05
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC2=CC=CC=C21	REAL300024348300	0	42	-1.0	-44.05	344.09	3.73	-40.32
CC1=CC=NC(C(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=N1	REAL300024348301	0	37	-1.0	-45.83	327.19	1.53	-44.30
N#CC1=CC=CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)=C1	REAL300024348302	0	38	-1.0	-46.97	343.78	2.82	-44.15
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348303	0	39	-1.0	-52.62	358.12	2.58	-50.04
CC1=CC(Cl)=CC(C)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348304	0	32	-1.0	-42.49	298.72	2.67	-39.82
CCOC(=O)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348305	0	37	-1.0	-45.72	327.64	0.94	-44.78
CC(C)C1=CC(Br)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348306	0	35	-1.0	-42.12	326.01	3.48	-38.64
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1OC(F)F	REAL300024348307	0	36	-1.0	-46.70	334.90	1.45	-45.25
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COC1=CC=CC=C1C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=N1	REAL300024348309	0	42	-1.0	-47.69	375.35	2.62	-45.07
COC(=O)CCC(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348310	0	44	-1.0	-47.36	383.27	3.85	-43.51
CC(C)(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024348311	0	42	-1.0	-42.96	341.63	0.73	-42.23
CC(C)C1=CC=C(C2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348312	0	48	-1.0	-43.84	382.60	6.28	-37.56
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CN=C1OCC(F)F	REAL300024348313	0	35	-1.0	-50.02	334.84	-1.14	-51.16
CC[C@H](C)[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024348314	0	46	-1.0	-42.58	374.74	2.93	-39.65
CC(C)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024348315	0	53	0.0	-68.88	394.61	2.49	-66.39
CC(C)[NH+]1CCN(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024348315	1	53	0.0	-65.45	390.87	2.26	-63.19
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CC(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348317	0	38	-1.0	-51.20	332.78	-0.17	-51.37
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024348318	0	49	-1.0	-50.74	409.33	0.51	-50.23
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2SCCSC12	REAL300024348319	0	35	-1.0	-42.74	318.96	2.23	-40.51
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1CC(F)(F)F	REAL300024348320	0	37	-1.0	-43.45	320.17	0.35	-43.10
CC(C)C1=CC=C2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024348321	0	45	-1.0	-43.38	372.94	4.84	-38.54
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1OC(F)F	REAL300024348322	0	36	-1.0	-46.63	334.89	1.43	-45.20
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C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348324	0	46	-1.0	-44.28	368.87	2.37	-41.91
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O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2=CNN=C2)=C1	REAL300024348326	0	33	-1.0	-48.28	305.30	0.71	-47.57
CCCCCN1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024348327	0	44	-1.0	-45.80	384.12	2.39	-43.41
CCOC(=O)C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024348328	0	41	-1.0	-49.20	369.44	3.90	-45.30
CC(C)C1=CC=C2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024348329	0	45	-1.0	-43.36	372.92	4.84	-38.52
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300024348330	0	52	0.0	-73.76	406.94	6.47	-67.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300024348330	1	52	0.0	-73.83	407.05	6.45	-67.38
CS(=O)(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348331	0	40	-1.0	-53.28	350.42	-2.29	-55.57
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348332	0	46	-1.0	-44.61	372.91	2.72	-41.89
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C(=O)OC(C)(C)C	REAL300024348333	0	44	-1.0	-45.97	373.82	3.97	-42.00
CC(C)C(O)C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348334	0	41	-1.0	-44.58	324.42	-1.20	-45.78
CC1=CC=CC(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=N2)=C1	REAL300024348335	0	41	-1.0	-45.79	368.26	3.81	-41.98
CC(C)C1=CC=C(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348336	0	45	-1.0	-45.33	375.75	6.28	-39.05
CC1=CC=C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1C	REAL300024348337	0	44	-1.0	-43.79	358.59	3.18	-40.61
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C1)NC1=CC=CC=C12	REAL300024348338	0	37	-1.0	-45.44	322.46	3.19	-42.25
CCC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1CC(C)C	REAL300024348339	0	41	-1.0	-47.32	352.30	2.13	-45.19
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348340	0	47	0.0	-72.94	372.69	4.96	-67.98
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348340	1	47	0.0	-71.44	372.96	4.90	-66.54
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCOC2C12CCC2	REAL300024348341	0	38	-1.0	-42.79	317.14	1.52	-41.27
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1O	REAL300024348342	0	42	-1.0	-52.64	380.10	-2.87	-55.51
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300024348342	1	41	-2.0	-93.92	376.62	-2.12	-96.04
O=C(CSC1=NNC(=O)[N-]1)NC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300024348343	0	28	-2.0	-81.40	282.00	-0.57	-81.97
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CC(C)(C)OC(=O)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348449	0	44	-1.0	-48.26	352.48	4.49	-43.77
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CC(C)OC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024348461	0	42	-1.0	-42.79	352.32	1.30	-41.49
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COC(=O)C1=CN(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=N1	REAL300024348467	0	38	-1.0	-49.07	347.53	0.11	-48.96
CCC1CC2=CC=CC=C2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348468	0	39	-1.0	-43.11	324.04	4.39	-38.72
CC1(C2=CC=C(F)C(F)=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348469	0	36	-1.0	-44.29	336.73	3.31	-40.98
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CCOC(=O)C(C)(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348471	0	35	-1.0	-46.09	319.69	-2.47	-48.56
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CC1CCCCN1C1=CC=C2C(=C1)CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024348473	0	51	-1.0	-44.15	399.89	5.25	-38.90
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CN(CCN1C=C(Br)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351150	0	32	-1.0	-44.24	316.23	1.59	-42.65
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CCCC[N@H+](C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351152	0	43	0.0	-68.42	351.53	2.55	-65.87
CCCC[N@@H+](C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351152	1	43	0.0	-68.50	351.43	2.55	-65.95
COC1=CC(F)=C(F)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351153	0	30	-1.0	-44.41	288.56	0.27	-44.14
COC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1O	REAL300024351154	0	34	-1.0	-46.35	314.21	-2.01	-48.36
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O=C(CSC1=NNC(=O)[N-]1)NCC1(CCO)CCCCC1	REAL300024351156	0	42	-1.0	-43.89	332.02	-1.22	-45.11
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O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1COC(=O)NC1CCCC1	REAL300024351158	0	50	-1.0	-49.27	400.61	3.28	-45.99
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1COC(=O)NC1CC1	REAL300024351159	0	44	-1.0	-48.78	366.70	1.91	-46.87
COC1=CC(Cl)=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024351160	0	33	-1.0	-42.59	311.51	1.40	-41.19
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CCOC(=O)C(C)(C)C1=CSC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351162	0	40	-1.0	-45.42	368.37	2.35	-43.07
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351162	1	39	-2.0	-93.52	365.08	1.22	-92.30
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC(F)(F)CC1	REAL300024351163	0	35	-1.0	-43.22	301.06	2.49	-40.73
CN(C)C1=CC=CC=C1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351164	0	40	-1.0	-44.79	342.06	3.35	-41.44
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351165	0	46	-1.0	-49.69	388.81	1.18	-48.51
NC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(OCC(F)F)=C1	REAL300024351166	0	37	-1.0	-49.76	345.09	-1.81	-51.57
CC(OC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024351167	0	36	-1.0	-45.41	333.76	2.10	-43.31
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C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Br)C=C1F	REAL300024351169	0	32	-1.0	-44.08	317.14	2.39	-41.69
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COCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024351171	0	42	-1.0	-42.87	335.52	1.54	-41.33
COCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](C)CC1	REAL300024351172	0	48	0.0	-65.77	381.31	3.00	-62.77
C#CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=C1	REAL300024351173	0	31	-1.0	-44.12	313.92	2.68	-41.44
O=C(CSC1=NNC(=O)[N-]1)NCCCN1C=C(CO)N=N1	REAL300024351174	0	35	-1.0	-50.50	324.18	-4.34	-54.84
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CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)OC(C)(C)C	REAL300024351176	0	52	-1.0	-46.13	414.19	1.99	-44.14
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COC(=O)C1=CC=CC2=C1CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351178	0	39	-1.0	-47.72	339.31	3.68	-44.04
COC(=O)C1=CC=C(NNC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024351179	0	34	-1.0	-46.81	324.85	1.09	-45.72
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COC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C1=CC=CC=C1	REAL300024351181	0	42	-1.0	-45.60	361.51	4.11	-41.49
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300024351182	0	39	-1.0	-49.35	345.71	3.02	-46.33
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OC2CCCCC2)CC1	REAL300024351183	0	46	-1.0	-43.81	368.39	3.69	-40.12
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300024351184	0	44	-1.0	-44.05	355.12	3.90	-40.15
CC(C)(C)OC(=O)C1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351185	0	44	-1.0	-44.43	367.06	3.40	-41.03
CC1=NC=CC=C1NC(=O)[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351186	0	38	-1.0	-47.09	339.61	-0.86	-47.95
CC1=CC=C(CC(CO)NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024351187	0	42	-1.0	-45.08	362.36	0.59	-44.49
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCCCN2C1=O	REAL300024351188	0	37	-1.0	-54.02	317.97	-0.34	-54.36
CC1=CC=C(F)C(C2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=NN2)=C1	REAL300024351189	0	36	-1.0	-48.16	334.51	2.35	-45.81
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC(C2=CC=CC(F)=C2F)=C1	REAL300024351190	0	33	-1.0	-51.04	319.45	1.75	-49.29
CC1=CC=C(C2=C(C)C(NC(=O)CSC3=NNC(=O)[N-]3)=NN2)O1	REAL300024351191	0	36	-1.0	-49.12	333.11	1.52	-47.60
CC1=CC=C(C2=NNC(NC(=O)CSC3=NNC(=O)[N-]3)=C2C)O1	REAL300024351191	1	36	-1.0	-45.77	329.91	1.50	-44.27
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(O)=C(F)C=C1F	REAL300024351192	0	27	-1.0	-42.70	271.03	-1.95	-44.65
O=C(CSC1=NNC(=O)[N-]1)NC1=CC([O-])=C(F)C=C1F	REAL300024351192	1	26	-2.0	-92.82	266.65	-1.18	-94.00
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300024351193	0	35	-1.0	-47.29	301.85	-2.84	-50.13
COC(=O)C1=CC=C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300024351194	0	41	-1.0	-46.81	367.84	1.87	-44.94
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)NCCC1=CC=CC=C1	REAL300024351195	0	42	-1.0	-47.22	373.99	0.96	-46.26
CCC(COC)(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC	REAL300024351196	0	38	-1.0	-43.31	330.34	-0.56	-43.87
COCCN(CC1=C(C)N(C)N=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351197	0	45	-1.0	-45.03	373.55	1.62	-43.41
CCOC(=O)C1=CN=C(NC(=O)CSC2=NNC(=O)[N-]2)[N-]1	REAL300024351198	0	31	-2.0	-88.74	304.20	1.28	-87.46
CCOC(=O)C1=CNC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351198	1	32	-1.0	-44.16	305.64	1.64	-42.52
CCOC(=O)C1=C[N-]C(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351198	1	31	-2.0	-89.15	304.50	1.23	-87.92
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC2=CC(Cl)=CC=C2N1	REAL300024351199	0	32	-1.0	-46.38	317.06	0.08	-46.30
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC2=CC=C(Cl)C=C2N1	REAL300024351199	1	32	-1.0	-45.19	316.98	0.08	-45.11
CCOC(=O)C1=CN=C(NC(=O)CSC2=NNC(=O)[N-]2)N1C	REAL300024351200	0	35	-1.0	-50.09	324.14	3.34	-46.75
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN=C(Cl)C=N1	REAL300024351201	0	27	-1.0	-44.20	280.55	-2.44	-46.64
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300024351202	0	33	-2.0	-84.14	316.04	-0.21	-84.35
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300024351202	1	33	-2.0	-84.13	315.98	-0.23	-84.36
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C2=NC=CS2)C=C1	REAL300024351203	0	35	-1.0	-45.55	334.49	3.38	-42.17
CC(C)(C)[Si](C)(C)OC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351204	0	51	-1.0	-43.88	406.24	5.53	-38.35
CC1=NC(C2=CC=NC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)=NN1	REAL300024351205	0	34	-1.0	-51.62	321.62	1.10	-50.52
CC(C)(C)OC(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024351206	0	50	-1.0	-43.75	390.11	4.67	-39.08
O=C(CSC1=NNC(=O)[N-]1)NCC1(Br)CC1	REAL300024351207	0	26	-1.0	-42.47	264.46	0.18	-42.29
CC(C)(C)OC(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024351208	0	48	-1.0	-43.46	381.77	2.18	-41.28
CC1=CC=CN=C1NC(=O)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351209	0	38	-1.0	-57.66	343.06	0.33	-57.33
O=C(CCNC(=O)CSC1=NNC(=O)[N-]1)NC1=NC=CN1	REAL300024351210	0	33	-1.0	-52.44	307.98	-0.71	-53.15
COC(=O)CCNC(=O)C1CSC(C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351211	0	43	-1.0	-58.37	383.78	0.42	-57.95
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@@H+]2CCCOCC2)CC1	REAL300024351212	0	46	0.0	-71.46	348.76	2.08	-69.38
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@H+]2CCCOCC2)CC1	REAL300024351212	1	46	0.0	-71.73	348.27	2.04	-69.69
CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351213	0	38	-1.0	-73.10	342.06	-0.68	-73.78
O=C(CSC1=NNC(=O)[N-]1)NCCOCC1CCCC1	REAL300024351214	0	39	-1.0	-43.98	334.86	0.63	-43.35
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCCC2)C1C1=CC=CC=C1	REAL300024351215	0	43	-1.0	-46.12	355.07	5.33	-40.79
CCNC(=O)NC1=C(C)C=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351216	0	41	-1.0	-50.59	353.57	0.67	-49.92
CN(C)CC1=CSC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351217	0	33	-1.0	-42.46	309.50	-1.75	-44.21
CN(C)CC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351217	1	32	-2.0	-89.16	306.21	-2.87	-92.03
CC1(C)CC(CNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024351218	0	39	-1.0	-44.01	321.88	0.00	-44.01
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(F)C(F)=C1[O-]	REAL300024351219	0	26	-2.0	-85.46	267.14	-1.12	-86.58
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(F)C(F)=C1O	REAL300024351219	1	27	-1.0	-42.57	270.71	-1.88	-44.45
CON1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351220	0	38	-1.0	-44.23	313.19	-0.48	-44.71
CCOC1=CC=C(CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351221	0	45	-1.0	-45.03	383.10	3.18	-41.85
CC(C)CN(CC1=CN(C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351222	0	41	-1.0	-45.59	351.13	3.01	-42.58
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=CC=C(Br)C=N1	REAL300024351223	0	35	-1.0	-43.78	325.42	2.72	-41.06
CN(CCNC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351224	0	42	-1.0	-49.13	358.64	-0.23	-49.36
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2CN(CC(F)(F)F)CC2=C1	REAL300024351225	0	38	-1.0	-45.98	345.55	0.72	-45.26
CCON(CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351226	0	36	-1.0	-42.92	323.70	3.63	-39.29
CC(C)(C)OC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024351227	0	50	-1.0	-46.46	406.87	0.76	-45.70
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=C1	REAL300024351228	0	32	-1.0	-43.09	308.21	2.21	-40.88
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1C1=NC2=CC(Cl)=CC=C2N1	REAL300024351229	0	42	-1.0	-51.73	368.51	3.58	-48.15
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1C1=NC2=CC=C(Cl)C=C2N1	REAL300024351229	1	42	-1.0	-49.55	369.07	3.39	-46.16
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCO[C@@H](C2=CC=CS2)C1	REAL300024351230	0	37	-1.0	-43.67	334.42	1.37	-42.30
CC(C)(C)OC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351231	0	47	-1.0	-47.19	392.18	-0.45	-47.64
COC1=CC2=C(C(OC)=C1)N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300024351232	0	41	-1.0	-46.58	340.80	3.57	-43.01
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=C1	REAL300024351233	0	32	-1.0	-43.08	308.16	2.21	-40.87
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=CC(Cl)=C1Cl	REAL300024351234	0	28	-1.0	-44.46	294.33	1.37	-43.09
COCCNC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351235	0	37	-1.0	-51.67	337.71	-3.29	-54.96
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCCCC2)C1C1=CC=CC=C1	REAL300024351236	0	46	-1.0	-44.66	375.65	6.42	-38.24
CN(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024351237	0	36	-1.0	-45.48	319.11	0.07	-45.41
CC1=CSC(NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351238	0	33	-1.0	-46.45	316.98	-1.42	-47.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCC1C1CC1	REAL300024351239	0	42	-1.0	-42.97	337.35	2.90	-40.07
CC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Br	REAL300024351240	0	32	-1.0	-42.71	313.45	2.04	-40.67
COC1=CC=C(C)C=C1[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351241	0	39	-1.0	-45.63	340.16	1.76	-43.87
COC1=CC=C(C)C=C1[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351242	0	39	-1.0	-45.49	340.11	1.76	-43.73
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(F)=C(N2CCOCC2)C(F)=C1	REAL300024351243	0	42	-1.0	-44.95	370.23	-0.05	-45.00
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=CC(Br)=C1	REAL300024351244	0	32	-1.0	-45.09	316.74	2.23	-42.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NOC(C(F)F)=N1	REAL300024351245	0	30	-1.0	-46.41	298.84	-2.71	-49.12
CCOC(=O)CC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351246	0	38	-1.0	-46.59	343.77	3.30	-43.29
COC1=NC=CC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C12	REAL300024351247	0	35	-1.0	-44.90	316.82	-0.12	-45.02
COC(=O)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024351248	0	32	-1.0	-46.62	306.73	1.48	-45.14
COC1=CC(C[NH+](C)C)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351249	0	42	0.0	-72.22	355.03	2.05	-70.17
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C1=NNC=N1)C1=CC=CC=C1	REAL300024351250	0	38	-1.0	-49.84	332.47	3.35	-46.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C1=NN=CN1)C1=CC=CC=C1	REAL300024351250	1	38	-1.0	-52.91	336.08	3.12	-49.79
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(NC(=O)C(F)(F)F)N=C1	REAL300024351251	0	35	-1.0	-50.13	345.53	-0.18	-50.31
COC1COCCC1N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351252	0	46	-1.0	-43.70	364.76	-1.86	-45.56
COC1COCCC1[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351252	1	47	0.0	-67.36	365.86	0.42	-66.94
O=C(CSC1=NNC(=O)[N-]1)NCC1(N2CCOCC2)CCOCC1	REAL300024351253	0	46	-1.0	-43.54	355.70	-3.05	-46.59
CC1(C)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C1=CC=CC=C1	REAL300024351254	0	42	-1.0	-43.55	357.13	3.83	-39.72
CN1C(=O)OC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C(F)C=C21	REAL300024351255	0	32	-1.0	-48.39	307.94	0.81	-47.58
CC(C)C1N(C(=O)CSC2=NNC(=O)[N-]2)CC12CCCCC2	REAL300024351256	0	45	-1.0	-44.97	350.36	4.82	-40.15
O=C(CSC1=NNC(=O)[N-]1)NCC1(CC2=CC=CC(Cl)=C2)CC1	REAL300024351257	0	39	-1.0	-43.98	361.32	4.11	-39.87
O=C(CSC1=NNC(=O)[N-]1)NC1(C(=O)OCC2=CC=CC=C2)CCC1	REAL300024351258	0	42	-1.0	-46.16	370.26	4.67	-41.49
CCNS(=O)(=O)C1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351259	0	40	-1.0	-49.96	371.59	-2.13	-52.09
CC(C)NS(=O)(=O)C1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351260	0	43	-1.0	-49.82	388.81	-1.56	-51.38
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL300024351261	0	33	-1.0	-45.84	307.07	2.30	-43.54
COC1=CC=C(C(CO)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351262	0	40	-1.0	-46.06	349.14	-1.23	-47.29
CC(C)(C)OC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024351263	0	53	-1.0	-47.97	421.61	2.87	-45.10
O=C(CSC1=NNC(=O)[N-]1)N1CCS(=O)(=O)C2COCCC21	REAL300024351264	0	37	-1.0	-47.92	317.23	-2.86	-50.78
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1OCC[NH+](C)C	REAL300024351265	0	45	0.0	-68.52	376.40	3.17	-65.35
C[NH+](C)CCN(CC1=CSC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351266	0	41	0.0	-70.67	356.80	4.09	-66.58
CCC1(C2=CC=CC=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351267	0	39	-1.0	-44.00	334.88	4.03	-39.97
CC(CCCC1=CC=CN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351268	0	40	-1.0	-48.13	353.03	2.40	-45.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=CC(Cl)=C2C1	REAL300024351269	0	33	-1.0	-44.09	304.78	3.59	-40.50
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(OC)=C1Cl	REAL300024351270	0	34	-1.0	-45.42	322.14	-0.06	-45.48
CC(CC1=CC=CC(F)=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351271	0	38	-1.0	-47.28	331.21	4.55	-42.73
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=CN=C1Cl	REAL300024351272	0	27	-1.0	-46.22	274.27	-0.93	-47.15
COC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1SC	REAL300024351273	0	34	-1.0	-45.35	316.76	1.08	-44.27
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C(F)(F)F)C2(CCOCC2)C1	REAL300024351274	0	43	-1.0	-45.18	339.60	2.17	-43.01
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OC2CCOC2)CC1	REAL300024351275	0	41	-1.0	-46.60	341.96	0.51	-46.09
C=CCOC1=CC=C(Br)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351276	0	34	-1.0	-44.50	331.91	2.29	-42.21
CC(C)(C)C1=NN=C(CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024351277	0	37	-1.0	-47.65	330.81	-0.20	-47.85
CC(C)(C)C1=NC(CNC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024351277	1	37	-1.0	-45.99	331.20	-0.54	-46.53
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1OC(F)F	REAL300024351278	0	30	-1.0	-44.93	285.63	0.44	-44.49
CCON(CC1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351279	0	42	-1.0	-42.33	348.79	4.12	-38.21
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCC1C1=CC=CC=C1	REAL300024351280	0	42	-1.0	-45.04	333.32	5.34	-39.70
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=CC=C1OCC1=CC=CC=C1	REAL300024351281	0	39	-1.0	-49.31	354.42	3.83	-45.48
O=C(CSC1=NNC(=O)[N-]1)N(CCCCC1=CC=CC=C1)C1=CC=CC=C1	REAL300024351282	0	48	-1.0	-43.87	414.54	8.71	-35.16
COC(=O)C1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351283	0	39	-1.0	-46.93	325.45	2.53	-44.40
O=C(CSC1=NNC(=O)[N-]1)NC1=NC2=CC3=C(C=C2N1)OCO3	REAL300024351284	0	32	-1.0	-43.77	299.70	0.81	-42.96
CC1(C)OC2=C(SC=C2)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1O	REAL300024351285	0	38	-1.0	-43.74	336.58	-1.01	-44.75
NC(=O)CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024351286	0	34	-1.0	-56.60	307.01	-3.55	-60.15
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C[NH+](C)C	REAL300024351287	0	41	0.0	-69.43	342.56	3.30	-66.13
C[NH+](C)CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024351288	0	42	0.0	-66.93	362.33	2.48	-64.45
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(SC(F)(F)F)N=C1	REAL300024351289	0	29	-1.0	-43.30	304.37	0.88	-42.42
COC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C(C)S1	REAL300024351290	0	32	-1.0	-50.06	311.52	1.27	-48.79
CC1=CC(C[NH+](C)C)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351291	0	41	0.0	-69.70	344.94	3.52	-66.18
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C1=NC=CN1	REAL300024351292	0	36	-1.0	-49.71	326.10	2.16	-47.55
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300024351293	0	30	-2.0	-91.37	299.59	-0.77	-92.14
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300024351293	1	30	-2.0	-91.37	299.66	-0.76	-92.13
CC(C)NS(=O)(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351294	0	42	-1.0	-47.57	361.71	-2.29	-49.86
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC=C2CCCC2=N1	REAL300024351295	0	34	-1.0	-46.62	309.37	-0.09	-46.71
CN(C)S(=O)(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300024351296	0	48	-1.0	-47.94	401.35	-2.40	-50.34
CS(C)(=O)=NC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351297	0	36	-1.0	-59.31	328.69	-0.95	-60.26
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C2CC2)NN=C1C1=CC=CC(F)=C1	REAL300024351298	0	40	-1.0	-44.60	360.78	3.04	-41.56
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C2=CC=CC(F)=C2)NN=C1C1CC1	REAL300024351298	1	40	-1.0	-44.71	369.53	2.93	-41.78
C[N@@H+]1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351299	0	42	0.0	-69.57	329.06	1.55	-68.02
C[N@H+]1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351299	1	42	0.0	-69.56	329.25	1.55	-68.01
CCOCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351300	0	39	-1.0	-43.89	318.33	2.90	-40.99
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1COCC12OCCO2	REAL300024351301	0	45	-1.0	-45.55	353.90	-1.07	-46.62
NC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)C2CC3CC(C2)CC1C3	REAL300024351302	0	44	-1.0	-49.82	336.18	-0.77	-50.59
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCSCC1	REAL300024351303	0	34	-1.0	-43.35	293.44	-1.93	-45.28
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](O)[C@H](C2CCCC2)C1	REAL300024351304	0	43	-1.0	-44.98	338.78	0.65	-44.33
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(F)C(F)(F)C1	REAL300024351305	0	26	-1.0	-41.97	262.44	0.54	-41.43
COC1=CC=CC2=C1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351306	0	37	-1.0	-45.30	326.33	1.43	-43.87
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024351307	0	43	-1.0	-45.09	356.67	3.33	-41.76
CCC(C)N(CC(=O)NC1=CC=CC(C)=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351308	0	51	-1.0	-52.69	415.62	5.30	-47.39
N#CC1=CC=C2C(=C1)CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024351309	0	31	-1.0	-44.86	289.15	3.15	-41.71
CS(=O)(=NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(N)C=C1	REAL300024351310	0	33	-1.0	-57.87	313.22	-2.48	-60.35
CC(C)(C)OC(=O)CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCOCC1	REAL300024351311	0	48	-1.0	-49.43	387.78	3.37	-46.06
CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351312	0	50	-1.0	-47.19	399.06	-1.10	-48.29
CN(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351313	0	41	-1.0	-55.79	343.41	0.29	-55.50
CN1C=CN=C1C1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024351314	0	40	-1.0	-48.81	343.81	0.46	-48.35
COC1=CC(F)=CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351315	0	39	-1.0	-47.56	349.58	1.99	-45.57
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)CC1C1=CC=CC=C1	REAL300024351316	0	37	-1.0	-45.77	326.78	0.97	-44.80
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300024351317	0	41	-1.0	-48.15	375.05	1.54	-46.61
COC(=O)C(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351318	0	38	-1.0	-47.59	341.86	2.66	-44.93
CC(C)(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024351319	0	47	-1.0	-43.63	357.87	4.23	-39.40
CC(C)(C)O[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024351320	0	45	-1.0	-42.75	367.12	1.73	-41.02
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C)(C)CN1CCOCC1	REAL300024351321	0	44	-1.0	-44.55	340.29	0.26	-44.29
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C(Cl)C(OC)=C1	REAL300024351322	0	34	-1.0	-45.74	320.19	-0.01	-45.75
CC(=O)C1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024351323	0	35	-1.0	-48.75	318.05	2.82	-45.93
C=CCC(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351324	0	39	-1.0	-45.82	340.87	3.76	-42.06
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(CSC2=CC=C(F)C=C2)C=C1	REAL300024351325	0	40	-1.0	-45.47	375.86	5.71	-39.76
CC(C)(C)NS(=O)(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351326	0	43	-1.0	-48.94	371.21	-1.20	-50.14
CC(C)(C)OC(=O)C1CS(=O)(=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351327	0	44	-1.0	-52.58	370.83	0.66	-51.92
NC(=O)C1=CN(CCCCNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024351328	0	38	-1.0	-53.03	352.75	-4.30	-57.33
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=CC(F)=C1F	REAL300024351329	0	29	-1.0	-42.36	278.26	1.72	-40.64
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)(C(=O)OC)C1=CC=CC=C1	REAL300024351330	0	44	-1.0	-44.82	368.24	3.18	-41.64
CC(C)OCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351331	0	46	-1.0	-46.54	381.68	1.98	-44.56
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=CC=CC(F)=C2F)CC1	REAL300024351332	0	42	-1.0	-49.29	358.18	5.24	-44.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=C(F)C=CC=C2F)CC1	REAL300024351333	0	42	-1.0	-44.93	358.47	5.24	-39.69
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=CC(F)=CC=C2F)CC1	REAL300024351334	0	42	-1.0	-44.99	358.32	5.24	-39.75
COC1=CC=CC([C@H]2C[C@H](N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024351335	0	43	-1.0	-45.67	357.43	3.65	-42.02
COC1=CC(C(N)=O)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351336	0	34	-1.0	-46.97	311.04	-3.07	-50.04
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300024351337	0	44	0.0	-76.67	365.40	3.95	-72.72
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(CCC(F)(F)F)CC1	REAL300024351337	1	43	-1.0	-44.57	363.47	1.76	-42.81
CN1CC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C2C1=O	REAL300024351338	0	34	-1.0	-48.34	311.17	0.59	-47.75
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300024351339	0	40	-1.0	-46.26	349.43	2.73	-43.53
O=C(CSC1=NNC(=O)[N-]1)NC1=NC2=C(CS(=O)(=O)CC2)S1	REAL300024351340	0	32	-1.0	-54.59	317.38	-2.05	-56.64
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300024351340	1	31	-2.0	-97.00	314.08	-3.17	-100.17
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC(F)(F)[C@H]1O	REAL300024351341	0	33	-1.0	-47.65	297.58	-2.61	-50.26
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(OC2CC(=O)N2)=C1	REAL300024351342	0	35	-1.0	-49.69	323.29	-3.62	-53.31
CC(C)(C)OC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351343	0	50	-1.0	-50.99	397.40	3.87	-47.12
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CCSC2)C1	REAL300024351344	0	37	-1.0	-45.24	310.30	3.14	-42.10
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=CC=C1S(=O)(=O)N(C)C	REAL300024351345	0	40	-1.0	-48.25	345.42	-0.58	-48.83
CC1(CC(F)(F)F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351346	0	32	-1.0	-46.91	295.86	1.53	-45.38
CCOC(=O)CC1=CN=C(N(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024351347	0	37	-1.0	-52.85	349.89	3.47	-49.38
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(C2=CC=CC(Cl)=C2)C1	REAL300024351348	0	42	-1.0	-43.91	365.84	4.91	-39.00
CC(C)C1=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C(N)=O)=NN1	REAL300024351349	0	36	-1.0	-47.65	325.31	-4.03	-51.68
CC(C)C1=NNC(C(N)=O)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351349	1	36	-1.0	-49.15	325.91	-3.89	-53.04
CC(C)C1N(C(=O)CSC2=NNC(=O)[N-]2)CC12CCCC2	REAL300024351350	0	42	-1.0	-44.76	338.54	3.86	-40.90
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=NC=N2)CC1	REAL300024351351	0	37	-1.0	-45.57	318.74	2.48	-43.09
O=C(CSC1=NNC(=O)[N-]1)N1CCC(N2CCCS2(=O)=O)CC1	REAL300024351352	0	41	-1.0	-51.88	352.34	-0.84	-52.72
COC(=O)C(C)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351353	0	38	-1.0	-47.69	342.13	2.66	-45.03
C[NH+](C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024351354	0	38	0.0	-70.32	331.32	2.76	-67.56
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300024351355	0	43	-1.0	-43.12	357.30	5.26	-37.86
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C2=CC=CC=C2)C1	REAL300024351356	0	45	-1.0	-44.08	374.36	4.59	-39.49
CC(CC1=CN(C)C2=CC=C(F)C=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351357	0	42	-1.0	-49.18	371.70	4.47	-44.71
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(F)=C1Br	REAL300024351358	0	29	-1.0	-45.27	293.03	1.97	-43.30
CN(CC1=NOC(C2CC2)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351359	0	34	-1.0	-47.19	315.24	0.10	-47.09
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024351360	0	47	-1.0	-49.19	382.81	2.47	-46.72
O=C(CSC1=NNC(=O)[N-]1)NCC(O)C1=CC=CC=C1Br	REAL300024351361	0	33	-1.0	-45.41	319.84	-0.95	-46.36
COCC(COC)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351362	0	45	-1.0	-44.39	365.45	-0.54	-44.93
CN1N=CC2=C1CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351363	0	36	-1.0	-50.14	308.53	1.50	-48.64
CN(CC(O)C1=CC=CC(Br)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351364	0	36	-1.0	-44.46	339.04	1.92	-42.54
CC(C)(C)C1=CC=NC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351365	0	40	-1.0	-43.50	329.04	1.88	-41.62
COCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351366	0	39	-1.0	-44.96	330.06	0.23	-44.73
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1CC1=CC=CC=C1	REAL300024351367	0	44	-1.0	-43.24	361.84	2.83	-40.41
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300024351367	1	45	0.0	-69.41	359.46	5.06	-64.35
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300024351367	1	45	0.0	-69.40	359.34	5.05	-64.35
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=C1CCNC2=O	REAL300024351368	0	34	-1.0	-48.07	303.81	-0.64	-48.71
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(N2CCCC2=O)CC1	REAL300024351369	0	43	-1.0	-45.99	347.98	2.93	-43.06
CCN(CC1=C(CO)C=NC(C)=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351370	0	42	-1.0	-46.80	354.01	-1.33	-48.13
CC1=CC(F)=CC=C1C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351371	0	39	-1.0	-46.37	336.43	4.88	-41.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(CC(F)(F)F)CC1	REAL300024351372	0	40	-1.0	-44.43	341.58	1.16	-43.27
CCO[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351373	0	39	-1.0	-44.82	330.41	0.56	-44.26
O=C(CSC1=NNC(=O)[N-]1)N1CCSC2(CCC2)CC1	REAL300024351374	0	37	-1.0	-43.08	307.76	3.36	-39.72
O=C(CSC1=NNC(=O)[N-]1)N1CC(CC2=CC=CC=C2)(C2=CC=CC=C2)C1	REAL300024351375	0	46	-1.0	-44.45	395.84	7.06	-37.39
COCC1(C2=CC=CC=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351376	0	40	-1.0	-46.69	351.13	2.56	-44.13
CC1=CC=C(OC2=CC=CC=C2CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351377	0	46	-1.0	-47.34	405.33	5.21	-42.13
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OC2=CC=CN=C2)N=C1	REAL300024351378	0	35	-1.0	-45.85	328.97	-0.60	-46.45
O=C(CSC1=NNC(=O)[N-]1)NC(CO)C1CCCOC1	REAL300024351379	0	37	-1.0	-44.41	314.66	-3.55	-47.96
CNC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351380	0	38	-1.0	-48.69	326.54	-1.95	-50.64
CC(CC1=CC=CC=C1)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024351381	0	45	-1.0	-44.90	375.90	5.52	-39.38
CN(CC(O)C1=CC=C(Br)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351382	0	36	-1.0	-45.17	339.33	1.91	-43.26
CC1=CC=C(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024351383	0	38	-1.0	-45.65	329.56	4.20	-41.45
CC(C)(C)OC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024351384	0	49	-1.0	-44.60	395.42	1.89	-42.71
C[NH+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)(N2CCOCC2)CC1	REAL300024351385	0	51	0.0	-71.50	383.24	-0.93	-72.43
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351386	0	46	0.0	-70.23	384.59	1.82	-68.41
COC(C)(C(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024351387	0	39	-1.0	-43.11	315.73	0.33	-42.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(C2=CC=C(Cl)C=C2)C1	REAL300024351388	0	39	-1.0	-44.08	352.81	3.93	-40.15
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCOCC2)C1C1=CC=CC=C1	REAL300024351389	0	44	-1.0	-45.17	367.26	3.98	-41.19
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)C2CC3CC(C2)CC1C3	REAL300024351390	0	44	-1.0	-43.92	330.15	-0.28	-44.20
CC(C)(CN1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351391	0	41	-1.0	-43.77	330.13	-0.87	-44.64
O=C(CSC1=NNC(=O)[N-]1)NCC(CO)C1=CC=C(F)C=C1	REAL300024351392	0	36	-1.0	-45.37	326.06	-0.46	-45.83
CC(C)C1=C(Cl)N=CN=C1NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351393	0	35	-1.0	-42.30	321.32	1.58	-40.72
CCS(=O)(=O)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351394	0	34	-1.0	-53.06	320.64	-2.96	-56.02
CCCC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351395	0	44	-1.0	-42.99	345.96	2.85	-40.14
N#CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024351396	0	30	-1.0	-47.20	300.70	1.29	-45.91
CCOC1=CC=CC(CN(CCO)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351397	0	43	-1.0	-45.22	371.73	0.92	-44.30
O=C(CSC1=NNC(=O)[N-]1)N(CCN1CCOCC1)CC1=CC=CO1	REAL300024351398	0	45	-1.0	-47.54	380.62	0.58	-46.96
CSC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024351399	0	30	-1.0	-43.57	303.07	2.21	-41.36
NC(=O)OCC(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351400	0	40	-1.0	-49.77	362.59	-1.32	-51.09
NC(=O)C1(C2=CC=CC=C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351401	0	40	-1.0	-49.12	343.36	0.29	-48.83
O=C(CSC1=NNC(=O)[N-]1)NCCS(=O)(=O)C1CC1	REAL300024351402	0	32	-1.0	-54.02	308.34	-2.87	-56.89
COC1=CC=CC([C@@H]2C[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351403	0	40	-1.0	-46.09	352.49	2.26	-43.83
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCCC1	REAL300024351404	0	42	-1.0	-44.67	333.22	-0.97	-45.64
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1F	REAL300024351405	0	32	-1.0	-44.58	302.29	1.85	-42.73
O=C(CSC1=NNC(=O)[N-]1)N1CCNC(C2=CC=CC=C2)C1	REAL300024351406	0	38	-1.0	-43.63	326.86	1.31	-42.32
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH2+]C(C2=CC=CC=C2)C1	REAL300024351406	1	39	0.0	-73.98	327.84	2.41	-71.57
CN(CC(O)C1=CC=CC=C1Br)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351407	0	36	-1.0	-44.29	334.66	1.81	-42.48
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(OC)=C1C	REAL300024351408	0	37	-1.0	-44.96	325.54	0.16	-44.80
NC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1=CC=CC=C1	REAL300024351409	0	40	-1.0	-48.99	350.98	0.30	-48.69
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(COC2=CC=C(Cl)C=C2)S1	REAL300024351410	0	34	-2.0	-93.17	354.63	0.84	-92.33
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=C(F)C=CC=C2F)CCC1	REAL300024351411	0	39	-1.0	-43.50	343.67	3.34	-40.16
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC([N+](=O)[O-])=C1F)C(F)(F)F	REAL300024351412	0	34	-1.0	-49.07	340.72	3.10	-45.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300024351413	0	37	-1.0	-56.24	335.15	1.34	-54.90
O=C(CSC1=NNC(=O)[N-]1)NCC1=NN=C(C2CC2)S1	REAL300024351414	0	31	-1.0	-46.23	306.45	-0.74	-46.97
CN1N=CC=C1C(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024352150	0	44	-1.0	-45.69	382.70	1.45	-44.24
COC1=CC=C(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352151	0	39	-1.0	-44.14	329.72	1.43	-42.71
CC1(C2=CC=CC=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024352152	0	40	-1.0	-43.45	334.83	3.08	-40.37
CC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1(F)Cl	REAL300024352153	0	32	-1.0	-45.39	302.91	1.01	-44.38
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(Cl)=CC=C1O	REAL300024352154	0	30	-1.0	-44.23	300.63	-1.45	-45.68
C#CCN(CC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352155	0	39	-1.0	-46.88	348.76	3.89	-42.99
O=C(CSC1=NNC(=O)[N-]1)N1CCC(N2CCOC2=O)C1	REAL300024352156	0	35	-1.0	-53.92	307.78	0.05	-53.87
CCOC(=O)CC(NC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024352157	0	34	-1.0	-47.83	325.79	0.97	-46.86
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2CCOC2)CC1	REAL300024352158	0	39	-1.0	-43.78	320.74	-1.22	-45.00
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CS1(=O)=O	REAL300024352159	0	35	-1.0	-55.88	316.05	-2.74	-58.62
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(OC(C)C2=CC=CC=C2)C=C1	REAL300024352160	0	49	-1.0	-45.23	419.60	5.59	-39.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=NC=CC(C(F)(F)F)=N1	REAL300024352161	0	37	-1.0	-48.99	346.73	2.04	-46.95
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CCCCC2)C1	REAL300024352162	0	42	-1.0	-43.39	339.73	3.98	-39.41
CN(C)S(=O)(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352163	0	39	-1.0	-47.50	340.87	-2.06	-49.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CO)C1=CC=CC(Cl)=C1Cl	REAL300024352164	0	36	-1.0	-45.92	341.97	1.64	-44.28
COCC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(F)(F)F	REAL300024352165	0	36	-1.0	-45.49	333.85	1.46	-44.03
CC(C)CC1=NSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352166	0	32	-2.0	-86.15	307.25	-0.05	-86.20
CC(C)CC1=NSC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352166	1	33	-1.0	-42.14	310.52	0.97	-41.17
O=C(CSC1=NNC(=O)[N-]1)N1CC(OC2=CC=CC(Cl)=C2Cl)C1	REAL300024352167	0	34	-1.0	-45.76	342.11	2.96	-42.80
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C1)SC(C1=CC=CC=C1)=N2	REAL300024352168	0	39	-1.0	-45.63	355.89	4.19	-41.44
CN1CCC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2C1=O	REAL300024352169	0	37	-1.0	-48.01	327.22	1.27	-46.74
COC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2CCCCC12	REAL300024352170	0	45	-1.0	-46.41	357.49	3.77	-42.64
O=C(CSC1=NNC(=O)[N-]1)NN1CCC2=CC=CC=C2C1	REAL300024352171	0	35	-1.0	-45.41	310.78	1.88	-43.53
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352172	0	48	0.0	-74.02	394.12	5.78	-68.24
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352172	1	48	0.0	-74.07	394.11	5.78	-68.29
COCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(OC)=C1	REAL300024352173	0	40	-1.0	-44.51	352.02	0.20	-44.31
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300024352174	0	47	0.0	-77.90	386.18	2.84	-75.06
CC(C)(CC1=CC=C2CCCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352175	0	48	-1.0	-44.04	383.16	5.04	-39.00
O=C(CSC1=NNC(=O)[N-]1)NCCS(=O)(=O)CC(F)(F)F	REAL300024352176	0	31	-1.0	-58.54	315.49	-3.19	-61.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)C12CCCCC2	REAL300024352177	0	40	-1.0	-43.56	309.13	-0.32	-43.88
CC(C)(C)C1=CC=C(CC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352178	0	54	-1.0	-46.08	419.84	7.82	-38.26
CC(C)(C)OC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024352179	0	47	-1.0	-43.44	381.37	3.47	-39.97
CC1=CC=C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024352180	0	36	-1.0	-43.54	311.75	3.84	-39.70
COC1=CC=C(Br)C2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024352181	0	37	-1.0	-45.22	336.68	3.05	-42.17
CC(C)C1=CC=C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024352182	0	42	-1.0	-43.35	350.62	5.09	-38.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300024352183	0	33	-1.0	-44.69	319.92	4.04	-40.65
COCC1(C2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352184	0	40	-1.0	-44.91	335.30	1.78	-43.13
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(C(F)(F)F)=C1	REAL300024352185	0	32	-1.0	-42.56	308.61	2.42	-40.14
CC(C)(C)C1=CC=C(CC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352186	0	54	-1.0	-46.08	419.84	7.82	-38.26
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(CC2=CC=CC=C2)S1	REAL300024352187	0	33	-2.0	-95.00	329.42	1.50	-93.50
O=C(CSC1=NNC(=O)[N-]1)NC1=NN=C(CC2=CC=CC=C2)S1	REAL300024352187	1	34	-1.0	-51.34	332.72	2.62	-48.72
CC1=CC=C2NC3=C(CN(C(=O)CSC4=NNC(=O)[N-]4)CC3)C2=C1	REAL300024352188	0	40	-1.0	-47.09	343.74	3.83	-43.26
NC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024352189	0	34	-1.0	-49.65	293.44	-4.76	-54.41
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=CC=C(Br)C=C1	REAL300024352190	0	37	-1.0	-43.34	335.17	2.56	-40.78
O=C(CSC1=NNC(=O)[N-]1)NCC(F)(F)C1=CC=CC(F)=C1	REAL300024352191	0	32	-1.0	-43.98	311.76	1.80	-42.18
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CCCC2)CC1	REAL300024352192	0	42	-1.0	-43.31	334.23	2.67	-40.64
CSC1=CC=CC(NC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)N=C2)=C1	REAL300024352193	0	41	-1.0	-50.82	375.15	3.67	-47.15
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2C=CN(C(F)F)C2=C1	REAL300024352194	0	33	-1.0	-48.11	311.41	2.47	-45.64
CC(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1F	REAL300024352195	0	38	-1.0	-45.41	330.98	3.51	-41.90
CC(C)(C)OC(=O)N1CC(N(C(=O)CSC2=NNC(=O)[N-]2)C2CCC2)C1	REAL300024352196	0	50	-1.0	-50.84	393.84	3.19	-47.65
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCOCC2)C1C1=CC=CO1	REAL300024352197	0	41	-1.0	-48.75	351.64	2.29	-46.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC2NC(=O)CCC2C1	REAL300024352198	0	37	-1.0	-48.25	310.54	-0.57	-48.82
COC1=CC=C(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024352199	0	40	-1.0	-47.83	351.26	3.73	-44.10
COCCC(C)(O)C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352200	0	45	-1.0	-45.38	356.33	-2.43	-47.81
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C2=CC=CS2)C=C1	REAL300024352201	0	36	-1.0	-44.18	341.31	3.47	-40.71
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCCCC2)CC1	REAL300024352202	0	42	-1.0	-42.49	320.62	3.51	-38.98
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300024352203	0	40	-1.0	-43.03	347.80	5.04	-37.99
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CCO	REAL300024352204	0	39	-1.0	-47.06	307.76	-0.42	-47.48
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2CCCCC(O)C2=C1	REAL300024352205	0	40	-1.0	-44.36	332.23	0.92	-43.44
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(OC2CC2)=C1F	REAL300024352206	0	37	-1.0	-48.40	339.89	1.85	-46.55
COC1=CC(C)=CC(CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352207	0	39	-1.0	-46.57	346.36	1.58	-44.99
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024352208	0	38	-1.0	-43.99	323.63	2.67	-41.32
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300024352209	0	38	-1.0	-43.73	352.10	2.95	-40.78
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=C(Cl)C=C2Cl)CC1	REAL300024352210	0	38	-1.0	-43.04	350.78	3.11	-39.93
O=C(CSC1=NNC(=O)[N-]1)NC1=CC2=CC=CC(F)=C2N=C1	REAL300024352211	0	31	-1.0	-46.70	295.69	1.21	-45.49
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(I)C=C1F	REAL300024352212	0	26	-1.0	-40.48	280.75	1.95	-38.53
CC1=CC(Br)=C(Cl)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352213	0	29	-1.0	-44.06	301.77	2.64	-41.42
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C2OC=CC2=C1	REAL300024352214	0	32	-1.0	-45.61	301.33	1.19	-44.42
COC1=CC=CC(OC)=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352215	0	37	-1.0	-47.17	330.27	-0.43	-47.60
O=C(CSC1=NNC(=O)[N-]1)NCC(OC1CCCC1)C(F)(F)F	REAL300024352216	0	39	-1.0	-43.79	349.48	1.05	-42.74
COC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352217	0	37	-1.0	-50.27	307.66	-2.31	-52.58
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352218	0	43	-1.0	-50.25	364.37	0.40	-49.85
O=C(CSC1=NNC(=O)[N-]1)N1CCC1C1=CC=C(F)C=C1	REAL300024352219	0	33	-1.0	-47.51	305.13	3.33	-44.18
CC1(C)CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300024352220	0	47	-1.0	-42.34	367.15	3.15	-39.19
CCN1C=C([C@@H]2OCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024352221	0	46	-1.0	-47.19	389.14	1.08	-46.11
C[C@H]1C2=CC=CC=C2C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352222	0	36	-1.0	-43.25	313.50	3.03	-40.22
CC[N@@H+]1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1C1=CN(C)N=C1	REAL300024352223	0	54	0.0	-66.22	412.09	3.98	-62.24
CC[N@H+]1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1C1=CN(C)N=C1	REAL300024352223	1	54	0.0	-71.18	411.59	4.44	-66.74
COC1=CC=CC=C1C(C)N(OC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352224	0	40	-1.0	-44.02	343.94	2.41	-41.61
CC(C)(C)OC(=O)N1CCC2(CC(=O)NN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352225	0	48	-1.0	-52.26	394.40	1.30	-50.96
C[C@H]1CC[C@@](C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024352226	0	44	-1.0	-42.51	338.42	2.32	-40.19
COC(=O)CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCOCC1	REAL300024352227	0	39	-1.0	-50.27	332.87	1.32	-48.95
COC(=O)CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024352228	0	41	-1.0	-48.18	341.95	3.73	-44.45
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352229	0	33	-1.0	-45.15	300.33	-0.57	-45.72
COC1=CC=CC(C2=CSC(NC(=O)CSC3=NNC(=O)[N-]3)=N2)=C1	REAL300024352230	0	36	-1.0	-45.91	340.44	1.92	-43.99
COC1=CC=CC(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)=C1	REAL300024352230	1	35	-2.0	-94.90	337.14	0.81	-94.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(C)(C)CC(C)(C)C1	REAL300024352231	0	47	-1.0	-43.56	360.62	4.25	-39.31
COC(=O)[C@]1(NC(=O)CSC2=NNC(=O)[N-]2)CC[C@H](C)CC1	REAL300024352232	0	41	-1.0	-44.33	330.70	2.65	-41.68
CC1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024352233	0	38	-1.0	-44.90	333.87	2.82	-42.08
N#CC1=CC=C(Br)C(NNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352234	0	29	-1.0	-45.22	304.07	1.42	-43.80
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(F)=CC(Cl)=C1	REAL300024352235	0	28	-1.0	-41.75	287.91	0.94	-40.81
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=C([N+](=O)[O-])C=C1F	REAL300024352236	0	30	-1.0	-45.75	298.44	1.10	-44.65
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=NC2=CC=CC=C12	REAL300024352237	0	37	-1.0	-48.67	333.38	1.88	-46.79
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2C(=C1)C=CNC2=O	REAL300024352238	0	32	-1.0	-48.84	298.90	-0.01	-48.85
CC(C)(C)OC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024352239	0	44	-1.0	-44.06	381.76	4.07	-39.99
O=C(CSC1=NNC(=O)[N-]1)NC1(CCO)CCOCC1	REAL300024352240	0	37	-1.0	-46.10	305.11	-3.51	-49.61
CCC(CN(C)CCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352241	0	51	0.0	-67.15	401.22	1.23	-65.92
CCC(C[N@H+](C)CCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352241	1	52	1.0	-124.52	401.73	3.67	-120.85
CCC(C[N@@H+](C)CCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352241	1	52	1.0	-112.00	407.44	3.98	-108.02
CCCC(C(=O)OCC)N1C=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352242	0	44	-1.0	-46.28	384.99	3.36	-42.92
COC(=O)C1=CC=CC(NNC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024352243	0	37	-1.0	-46.33	331.75	1.61	-44.72
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(N2CCS(=O)(=O)CC2)C=C1	REAL300024352244	0	44	-1.0	-51.69	386.98	-1.70	-53.39
CSCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352245	0	36	-1.0	-43.63	329.49	1.75	-41.88
COC(=O)C1=NC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024352246	0	34	-1.0	-48.27	337.24	0.00	-48.27
O=C(CSC1=NNC(=O)[N-]1)NC1(CC2=CC=C(Cl)C=C2)CCCOC1	REAL300024352247	0	43	-1.0	-44.89	368.57	3.04	-41.85
CC(C)(C)OC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024352248	0	49	-1.0	-47.91	397.25	0.40	-47.51
CC(C)(C)OC(=O)CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352249	0	50	-1.0	-47.68	401.13	5.13	-42.55
CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024352250	0	46	-1.0	-46.83	378.87	1.94	-44.89
COC1=CC=C(C2=NOC(CNC(=O)CSC3=NNC(=O)[N-]3)=C2)C=C1	REAL300024352251	0	39	-1.0	-46.93	358.35	1.31	-45.62
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CCC1(CC2=CC=CC=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352254	0	45	-1.0	-45.15	359.22	6.11	-39.04
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COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(OC)=C1	REAL300024352258	0	39	-1.0	-48.23	355.10	1.19	-47.04
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O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](C2CCOCC2)CC1	REAL300024352271	0	46	0.0	-69.71	362.34	1.00	-68.71
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O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NC3=NC=CC=C3C=C2)C1	REAL300024352273	0	40	-1.0	-52.87	350.69	3.06	-49.81
COC(OC)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352274	0	41	-1.0	-49.50	343.27	-0.12	-49.62
CCOC(=O)C1=NNC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352275	0	37	-1.0	-48.37	346.53	-0.44	-48.81
CCOC(=O)C1=NN=C(C(C)NC(=O)CSC2=NNC(=O)[N-]2)[N-]1	REAL300024352275	1	36	-2.0	-85.57	343.92	-0.78	-86.35
CCOC(=O)C1=NC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024352275	1	36	-2.0	-85.37	343.66	-0.77	-86.14
CCOC(=O)C1=N[N-]C(C(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352275	1	36	-2.0	-85.40	343.73	-0.78	-86.18
CN1C=C(C2=CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024352276	0	37	-1.0	-47.12	328.24	2.42	-44.70
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CN1N=CC(C2CCC2)=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352278	0	39	-1.0	-43.64	341.04	0.97	-42.67
CC1CN(CCNC(=O)CSC2=NNC(=O)[N-]2)C(C)CO1	REAL300024352279	0	41	-1.0	-45.28	337.10	-2.68	-47.96
CN(CCC[NH+](C)C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352280	0	45	0.0	-69.47	366.90	-0.48	-69.95
O=C(CSC1=NNC(=O)[N-]1)NCC(O)C1=CC=CC2=CC=CC=C21	REAL300024352281	0	39	-1.0	-46.36	345.41	0.63	-45.73
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C[C@H](COC1=C(F)C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352283	0	36	-1.0	-46.27	339.18	1.63	-44.64
C[C@@H](COC1=C(F)C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352284	0	36	-1.0	-46.27	339.19	1.63	-44.64
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352285	0	50	0.0	-70.82	421.40	7.07	-63.75
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CC1=NN=C(CN2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N1	REAL300024352288	0	40	-1.0	-50.07	342.66	-0.45	-50.52
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COC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCOC1	REAL300024352291	0	37	-1.0	-44.91	316.84	-2.42	-47.33
CC(=O)NCC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352292	0	39	-1.0	-48.30	356.14	-0.13	-48.43
COC1=CC=C(N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024352293	0	42	-1.0	-45.26	355.38	-0.16	-45.42
COC1=CC=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2)C=C1	REAL300024352294	0	43	-1.0	-45.83	378.32	4.17	-41.66
O=C(CSC1=NNC(=O)[N-]1)NC1=C2C=CN(C(F)F)C2=CC=C1	REAL300024352295	0	33	-1.0	-46.90	310.55	2.49	-44.41
CN1C(=O)C(NC(=O)CSC2=NNC(=O)[N-]2)CC2=CC=CC=C21	REAL300024352296	0	37	-1.0	-50.85	327.56	1.07	-49.78
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(CN2CCCS2(=O)=O)=C1	REAL300024352297	0	41	-1.0	-53.19	371.26	-0.23	-53.42
CCC(CC1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352298	0	38	-1.0	-46.99	334.00	3.29	-43.70
CC1=CC=CC(C)=C1C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352299	0	42	-1.0	-46.25	338.25	5.39	-40.86
CC1=C(C(C)C)N=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024352300	0	34	-1.0	-42.57	316.28	1.58	-40.99
CC(C)NC1=CC=C(Cl)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352301	0	37	-1.0	-44.71	337.73	1.85	-42.86
CSC1=CC(Cl)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352302	0	30	-1.0	-42.13	301.99	2.37	-39.76
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CN2C=CN=N2)C1	REAL300024352303	0	35	-1.0	-55.01	314.91	0.66	-54.35
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352304	0	48	0.0	-61.80	387.86	0.66	-61.14
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352304	1	49	1.0	-116.57	387.88	3.09	-113.48
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352304	1	49	1.0	-123.03	387.88	3.05	-119.98
CCC(O)(CC)C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352305	0	44	-1.0	-43.01	335.43	-0.91	-43.92
CC1(CC2=CC=CC=C2Cl)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352306	0	42	-1.0	-42.48	344.09	5.10	-37.38
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCC2=CC=CC=C21	REAL300024352307	0	42	-1.0	-43.02	333.24	5.14	-37.88
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O=C(CSC1=NNC(=O)[N-]1)NCCS(=O)(=O)C(F)(F)F	REAL300024352309	0	28	-1.0	-50.82	297.30	-4.03	-54.85
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CC2=CC=CC=N2)CC1	REAL300024352310	0	42	-1.0	-44.59	350.07	1.12	-43.47
O=C(CSC1=NNC(=O)[N-]1)N1CCC(=O)C2=CC(O)=CC=C21	REAL300024352311	0	33	-1.0	-45.05	298.40	-0.20	-45.25
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CN=C1N1CCCCC1	REAL300024352312	0	43	-1.0	-44.74	367.45	1.63	-43.11
CC1=CSC(CC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024352313	0	42	-1.0	-44.52	362.44	-0.04	-44.56
CN(CC1=NC2=CC(C(F)(F)F)=CC=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352314	0	38	-1.0	-54.37	356.95	2.78	-51.59
CN(CC1=NC2=CC=C(C(F)(F)F)C=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352314	1	38	-1.0	-51.67	357.01	2.78	-48.89
CC1C(=O)NC2=CC=CC=C2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352315	0	37	-1.0	-46.80	320.20	1.49	-45.31
CCOC1=CC=CC(CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352316	0	38	-1.0	-48.51	343.70	-0.71	-49.22
CC(C)(C)C1=CSC(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024352317	0	50	-1.0	-45.50	416.68	4.99	-40.51
CCOC(=O)C1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300024352318	0	42	-1.0	-43.98	361.43	3.50	-40.48
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2C(=C1)CCNC2=O	REAL300024352319	0	34	-1.0	-52.37	307.65	-0.82	-53.19
CSC1=C(F)C=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352320	0	30	-1.0	-42.00	296.21	2.01	-39.99
COC1CCCC(C(CO)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352321	0	43	-1.0	-45.13	356.21	-2.21	-47.34
CN(CC(=O)N(C)C1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352322	0	45	-1.0	-52.30	367.85	3.16	-49.14
CCN(C(C)=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024352323	0	38	-1.0	-51.84	334.25	1.72	-50.12
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300024352324	0	43	-1.0	-46.00	349.15	1.83	-44.17
CC(C)(C)OC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2=CC=CC=C21	REAL300024352325	0	48	-1.0	-45.02	396.63	5.74	-39.28
COC1=CC=C(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024352326	0	35	-1.0	-46.33	318.34	-0.30	-46.63
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CO)CC1=CC=CC=C1	REAL300024352327	0	39	-1.0	-45.66	334.68	1.56	-44.10
CN(CCCNC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352328	0	45	-1.0	-48.02	380.14	0.53	-47.49
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(O)C=C1Cl	REAL300024352329	0	27	-1.0	-43.21	273.86	-1.49	-44.70
CS(=O)(=O)CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352330	0	39	-1.0	-54.40	362.87	-1.47	-55.87
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2C=CC=CC2=O)C=C1F	REAL300024352331	0	36	-1.0	-52.35	336.18	2.98	-49.37
O=C(CSC1=NNC(=O)[N-]1)NCCS(=O)CC(F)(F)F	REAL300024352332	0	30	-1.0	-55.45	307.37	-2.19	-57.64
O=C(CSC1=NNC(=O)[N-]1)N(CCOCCO)C1CCC1	REAL300024352333	0	40	-1.0	-44.90	338.45	-1.03	-45.93
CCC(COCC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352334	0	39	-1.0	-42.77	334.14	1.01	-41.76
O=C(CSC1=NNC(=O)[N-]1)N1CC2C(C1)C1CCC2CC1	REAL300024352335	0	40	-1.0	-42.78	310.63	3.20	-39.58
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C#N)=C1	REAL300024352336	0	36	-1.0	-46.87	321.06	2.53	-44.34
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CCCC2)CC1	REAL300024352337	0	42	-1.0	-43.16	324.02	3.69	-39.47
CSC1=CC=C(Cl)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352338	0	30	-1.0	-44.85	303.03	2.39	-42.46
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2C(C1)C2(F)F	REAL300024352339	0	33	-1.0	-47.60	293.24	1.20	-46.40
COCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCOCC1	REAL300024352340	0	40	-1.0	-43.85	336.96	-1.17	-45.02
CC1=CC=NC(NC(=O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352341	0	38	-1.0	-57.14	343.52	1.98	-55.16
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(Cl)=CC(Cl)=C1	REAL300024352342	0	29	-1.0	-42.32	307.41	1.86	-40.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(CCC(=O)N2)C1	REAL300024352343	0	35	-1.0	-47.18	304.15	0.19	-46.99
CS(=O)(=O)CC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352344	0	38	-1.0	-51.80	345.33	-1.76	-53.56
CC(C)(C)[N@@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352345	0	44	0.0	-65.44	347.35	1.71	-63.73
CC(C)(C)[N@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352345	1	44	0.0	-65.37	347.68	1.67	-63.70
CC1=CC=C(C(CF)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352346	0	35	-1.0	-45.85	316.49	2.48	-43.37
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)S(C)(=O)=O	REAL300024352347	0	36	-1.0	-52.22	331.40	-3.41	-55.63
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN=C(C(F)(F)F)N=C1	REAL300024352348	0	30	-1.0	-46.06	304.37	-0.78	-46.84
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=CO2)CC1	REAL300024352349	0	36	-1.0	-45.95	313.16	2.77	-43.18
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C(C2CCCCC2)C=C1	REAL300024352350	0	48	-1.0	-44.21	397.29	5.43	-38.78
CCOC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(NC(C)C)=C1	REAL300024352351	0	46	-1.0	-44.74	396.48	2.90	-41.84
N#CC1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352352	0	33	-1.0	-47.71	316.30	2.01	-45.70
C=CCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024352353	0	42	-1.0	-42.94	345.63	3.17	-39.77
COCCC1=CC=C(OCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352354	0	47	-1.0	-46.81	412.90	-1.38	-48.19
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=CC2=C1OC(F)(F)O2	REAL300024352355	0	31	-1.0	-46.97	304.43	-0.56	-47.53
N#CC1(C2=CC=CC=N2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352356	0	39	-1.0	-50.72	339.97	2.98	-47.74
CCOC(=O)[C@@H]1CC[C@@H](C(=O)OCC)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352357	0	44	-1.0	-55.50	380.11	4.37	-51.13
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=C(NC(=O)C(F)(F)F)C=C2C1	REAL300024352358	0	37	-1.0	-45.75	352.30	1.70	-44.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CO)(C2=CC=CC(F)=C2)C1	REAL300024352359	0	40	-1.0	-47.03	344.80	1.03	-46.00
CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C(=O)OC(C)(C)C	REAL300024352360	0	43	-1.0	-44.26	351.63	3.43	-40.83
CC(C)C1=CC=C(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352361	0	44	-1.0	-42.57	360.46	4.06	-38.51
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C(=O)N(CC3=CC=CC=C3)C(=O)[C@@H]2C1	REAL300024352362	0	43	-1.0	-54.05	382.14	3.36	-50.69
COCC1(C(=O)OC)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352363	0	39	-1.0	-47.25	332.92	2.51	-44.74
CC(C)CCC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024352364	0	35	-2.0	-93.89	330.07	0.55	-93.34
CC(C)CCC1=NN=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024352364	1	36	-1.0	-50.04	333.37	1.68	-48.36
CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352365	0	48	-1.0	-47.53	379.94	1.12	-46.41
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2OCCN(CC3=CC=CC=C3)[C@H]2C1	REAL300024352366	0	46	-1.0	-44.89	380.18	1.47	-43.42
CS(=O)(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C(F)(F)F	REAL300024352367	0	35	-1.0	-53.16	333.76	-1.50	-54.66
CC(C)(C)OC(=O)NC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352368	0	46	-1.0	-46.03	395.76	1.09	-44.94
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC12CCCCC2	REAL300024352369	0	42	-1.0	-42.94	329.40	3.09	-39.85
CC1(C)CC(N(CC2=CC=CC=C2)C(=O)CSC2=NNC(=O)[N-]2)CO1	REAL300024352370	0	46	-1.0	-43.33	375.43	4.22	-39.11
N#CC1=C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=CS1	REAL300024352371	0	36	-1.0	-48.56	326.73	1.08	-47.48
CC(C)(C)OC(=O)C1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352372	0	42	-1.0	-47.16	344.33	1.99	-45.17
CC1CN(C)CC(C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024352373	0	39	-1.0	-45.93	342.69	-3.20	-49.13
CC1C[N@H+](C)CC(C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024352373	1	40	0.0	-74.57	338.80	-0.81	-75.38
CC1C[N@@H+](C)CC(C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024352373	1	40	0.0	-76.37	338.26	-1.22	-77.59
CC1CCCCC12CC(=O)NN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024352374	0	40	-1.0	-42.80	308.36	0.18	-42.62
CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024352375	0	47	-1.0	-49.28	385.18	2.54	-46.74
CC(C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352376	0	44	0.0	-67.59	353.24	2.85	-64.74
CC1=CC=CN2C(NC(=O)CSC3=NNC(=O)[N-]3)=CN=C12	REAL300024352377	0	32	-1.0	-50.08	295.55	2.76	-47.32
CC1=CN=CC(N(CC2=NC=CN2)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352378	0	38	-1.0	-51.91	345.84	1.94	-49.97
CC(C)(C)OC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352379	0	52	-1.0	-51.88	400.47	3.04	-48.84
COC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H](C)O1	REAL300024352380	0	36	-1.0	-44.78	315.04	1.00	-43.78
CCOC(=O)C1=CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352381	0	36	-1.0	-45.65	328.53	1.43	-44.22
CC1=CC=C2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024352382	0	39	-1.0	-45.76	339.27	3.38	-42.38
COC(=O)CC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024352383	0	38	-1.0	-45.23	335.08	1.42	-43.81
CC1N(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2C1(C)C	REAL300024352384	0	39	-1.0	-44.12	321.19	4.29	-39.83
COC(=O)C(C)(CCF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352385	0	34	-1.0	-43.42	304.42	0.37	-43.05
CC(C)(C)OC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024352386	0	50	-1.0	-46.90	397.81	2.32	-44.58
O=C(CSC1=NNC(=O)[N-]1)NCC1=C(Cl)OC2=CC=CC=C21	REAL300024352387	0	32	-1.0	-44.14	318.07	1.79	-42.35
CCC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352388	0	34	-1.0	-50.03	311.01	2.01	-48.02
COC1=CC(OC)=C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024352389	0	41	-1.0	-47.89	342.43	2.13	-45.76
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(S(=O)(=O)NC2=CC=CC=C2)C1	REAL300024352390	0	44	-1.0	-47.32	385.79	0.76	-46.56
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1S(C)(=O)=O	REAL300024352391	0	37	-1.0	-49.26	324.65	-1.67	-50.93
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(N2C=CC=N2)C1	REAL300024352392	0	36	-1.0	-47.31	311.03	1.69	-45.62
COCCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352393	0	42	-1.0	-44.55	345.93	2.13	-42.42
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=NC=C2)CCC1	REAL300024352394	0	35	-1.0	-46.61	307.46	0.94	-45.67
COCCOCCN(CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352395	0	40	-1.0	-45.00	348.23	-2.92	-47.92
CCOC(=O)C1C2=C(CCN1C(=O)CSC1=NNC(=O)[N-]1)OC=C2	REAL300024352396	0	39	-1.0	-47.26	346.65	3.25	-44.01
CC1=CC=C(C(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024352397	0	40	-1.0	-47.77	342.96	1.90	-45.87
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352398	0	45	-1.0	-49.27	392.40	-1.53	-50.80
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300024352399	0	28	-2.0	-97.07	299.32	-2.53	-99.60
O=C(CSC1=NNC(=O)[N-]1)NC1(CN2CCN(C3=CC=CC=C3)CC2)CC1	REAL300024352400	0	50	-1.0	-45.75	407.00	1.34	-44.41
O=C(CSC1=NNC(=O)[N-]1)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300024352400	1	51	0.0	-74.09	403.19	3.68	-70.41
CC(C)(C)OC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024352401	0	46	-1.0	-42.47	375.29	2.36	-40.11
COC(=O)[C@H]1CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352402	0	32	-1.0	-48.28	302.55	1.85	-46.43
CC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352403	0	53	-1.0	-47.42	429.83	3.12	-44.30
CCC(CCC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352404	0	41	-1.0	-44.14	350.54	4.01	-40.13
CC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300024352405	0	51	0.0	-69.18	386.34	5.80	-63.38
CC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300024352405	1	51	0.0	-69.00	387.16	5.87	-63.13
CC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1CC1=CC=CC=C1	REAL300024352405	1	50	-1.0	-42.80	394.53	4.15	-38.65
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2NC(=O)OCC2=C1	REAL300024352406	0	32	-1.0	-48.25	298.83	-1.25	-49.50
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C2=NN3C=NN=C3C=C2)C1	REAL300024352407	0	39	-1.0	-51.74	349.35	2.53	-49.21
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CC(=O)C3=CC=CC=C3O2)C1	REAL300024352408	0	43	-1.0	-48.05	361.80	3.57	-44.48
O=C(CSC1=NNC(=O)[N-]1)N1CCN2N=CC(Br)=C2C1	REAL300024352409	0	30	-1.0	-44.00	292.98	0.72	-43.28
COC1=CC=CC(C2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024352410	0	43	-1.0	-46.89	360.03	3.29	-43.60
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=CC(F)=CC(F)=C1	REAL300024352411	0	37	-1.0	-44.07	326.24	2.09	-41.98
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=CC=CC(Br)=C1	REAL300024352412	0	37	-1.0	-42.85	335.22	2.56	-40.29
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=CC=CC(F)=C1	REAL300024352413	0	37	-1.0	-45.16	320.30	2.01	-43.15
CC1(C)COC(C2=CC=CC(Cl)=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352414	0	43	-1.0	-43.43	372.74	4.24	-39.19
COC(=O)[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(OC)=C1	REAL300024352415	0	39	-1.0	-48.23	355.07	1.19	-47.04
COC(=O)C1=CC=C(F)C2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024352416	0	39	-1.0	-48.05	344.62	3.68	-44.37
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC(F)(F)CC1	REAL300024352417	0	35	-1.0	-43.97	296.86	1.55	-42.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1CC(F)F	REAL300024352418	0	37	-1.0	-44.51	318.22	-1.52	-46.03
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C2=CC=C(Cl)C=C2)CCO1	REAL300024352419	0	42	-1.0	-44.03	378.34	0.44	-43.59
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(O)(C2=CC=CC=C2)C1	REAL300024352420	0	40	-1.0	-45.59	334.78	1.44	-44.15
O=C(CSC1=NNC(=O)[N-]1)NC(CCC1=CC=CC=C1)C(F)F	REAL300024352421	0	38	-1.0	-43.02	348.29	3.61	-39.41
CC1=CC=C2OC(CNC(=O)CSC3=NNC(=O)[N-]3)=CC2=C1	REAL300024352422	0	35	-1.0	-45.02	323.23	2.03	-42.99
CC1(C)COC(C2=CC=CC(F)=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352423	0	43	-1.0	-44.08	362.42	3.80	-40.28
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300024352424	0	35	-1.0	-49.42	350.52	4.05	-45.37
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300024352424	1	34	-2.0	-92.30	347.23	2.93	-89.37
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300024352425	0	35	-1.0	-48.82	348.32	3.97	-44.85
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300024352425	1	34	-2.0	-95.95	345.03	2.84	-93.11
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C=C(Br)S2)C1	REAL300024352426	0	30	-1.0	-42.73	302.54	3.03	-39.70
O=C(CSC1=NNC(=O)[N-]1)NC(CCC(F)(F)F)CCC(F)(F)F	REAL300024352427	0	37	-1.0	-44.85	348.40	2.52	-42.33
COC1=CC=CC(NC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)N=C2)=C1	REAL300024352428	0	41	-1.0	-51.25	364.44	1.95	-49.30
CCCN(CC1=CC=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352429	0	38	-1.0	-48.75	331.98	4.67	-44.08
CSC1=CC=C(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCOC2)C=C1	REAL300024352430	0	41	-1.0	-45.90	358.24	1.83	-44.07
CCON(CC)C(=O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352431	0	36	-1.0	-44.03	325.59	-0.90	-44.93
CCN(CCNC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352432	0	45	-1.0	-48.72	378.61	0.68	-48.04
O=C(CSC1=NNC(=O)[N-]1)NC(C1=NC=CN1)C1=CC=C(F)C=C1	REAL300024352433	0	36	-1.0	-45.96	335.43	1.64	-44.32
NC(=O)C1=CN(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N=N1	REAL300024352434	0	39	-1.0	-49.60	344.81	-2.96	-52.56
CC(C)(C)OC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024352435	0	50	-1.0	-47.28	401.25	-0.86	-48.14
CS(=O)(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024352436	0	41	-1.0	-49.00	338.65	-1.24	-50.24
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](C2=CC=CC=C2)CO1	REAL300024352437	0	40	-1.0	-44.89	347.59	1.58	-43.31
CC(C)C1=NC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024352438	0	37	-1.0	-49.43	339.81	2.04	-47.39
COC1=CC=CC=C1[C@@H]1C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352439	0	37	-1.0	-46.04	329.93	1.62	-44.42
NC1=NC=C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2=N1	REAL300024352440	0	33	-1.0	-46.28	295.39	0.55	-45.73
O=C(CSC1=NNC(=O)[N-]1)NCCCCCCC1=CC=CC=C1	REAL300024352441	0	44	-1.0	-44.60	381.43	4.74	-39.86
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(NC2=CC=CC=C2)=N1	REAL300024352442	0	37	-1.0	-44.53	332.58	3.62	-40.91
CSCC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(N)=O	REAL300024352443	0	33	-1.0	-50.04	315.02	-2.93	-52.97
C[C@H]1CN(C)C2=CC=CC=C2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352444	0	41	-1.0	-42.94	325.06	2.05	-40.89
COCC1=CSC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352445	0	33	-1.0	-43.88	319.47	-0.33	-44.21
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2COCCC2=C1	REAL300024352446	0	34	-1.0	-44.86	301.83	0.84	-44.02
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2CCCC=CC2=C1	REAL300024352447	0	37	-1.0	-44.35	319.30	3.74	-40.61
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL300024352448	0	33	-1.0	-45.08	315.80	2.69	-42.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CCCCO2)CC1	REAL300024352449	0	43	-1.0	-43.73	343.14	2.66	-41.07
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2CCCCO2)C1	REAL300024352450	0	43	-1.0	-43.98	343.55	2.64	-41.34
CC1=CC=C(Br)C=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352451	0	32	-1.0	-42.83	312.37	2.26	-40.57
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+]1C1CCCCC1	REAL300024352452	0	45	0.0	-67.23	361.13	2.64	-64.59
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+]1C1CCCCC1	REAL300024352452	1	45	0.0	-67.53	360.63	2.51	-65.02
CCC(C)(C)OC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352453	0	39	-1.0	-43.40	329.21	1.31	-42.09
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=CC=C1NC(=O)OC(C)(C)C	REAL300024352454	0	46	-1.0	-46.82	384.83	2.12	-44.70
COC(=O)C1CCC(C(=O)OC)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352455	0	41	-1.0	-49.71	355.78	3.17	-46.54
CC(C)(C)OC(=O)C1(O)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352456	0	45	-1.0	-44.65	370.15	0.99	-43.66
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(C2=CC=C(Br)C=C2)C1	REAL300024352457	0	34	-1.0	-46.16	326.54	1.09	-45.07
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(Cl)C(Cl)=C1	REAL300024352458	0	29	-1.0	-43.34	305.86	1.82	-41.52
O=C(CSC1=NNC(=O)[N-]1)NCC1(CC2=CC=C(Br)C=C2)CC1	REAL300024352459	0	39	-1.0	-45.19	364.93	4.24	-40.95
CC(C)N1C2=CC=CC=C2N=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352460	0	38	-1.0	-52.08	330.50	5.38	-46.70
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC(Br)=CC=C21	REAL300024352461	0	36	-1.0	-44.58	330.19	4.42	-40.16
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Br)C2=NC=CC=C12	REAL300024352462	0	31	-1.0	-46.03	306.91	1.99	-44.04
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CC[C@@H]1C1=CC=CC=C1	REAL300024352463	0	36	-1.0	-45.23	313.05	3.55	-41.68
O=C(CSC1=NNC(=O)[N-]1)N1CCN(S(=O)(=O)C2CC2)CC1	REAL300024352464	0	38	-1.0	-48.06	337.09	-0.70	-48.76
COCC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C#N	REAL300024352465	0	34	-1.0	-46.96	320.66	0.93	-46.03
COC(=O)C(C)OC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024352466	0	39	-1.0	-48.51	358.04	2.33	-46.18
COC1=NC=C(Br)C=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352467	0	32	-1.0	-43.70	321.31	-1.80	-45.50
CN(C(=O)OC(C)(C)C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352468	0	46	-1.0	-49.20	393.52	3.21	-45.99
CN(CCOCCN(C)C(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352469	0	52	-1.0	-46.97	425.72	2.75	-44.22
O=C(CSC1=NNC(=O)[N-]1)NC[C@]12OCCC[C@H]1C2(F)F	REAL300024352470	0	34	-1.0	-44.47	302.91	-0.29	-44.76
CN1C=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024352471	0	39	-1.0	-48.33	349.80	3.40	-44.93
CC(C)NC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352472	0	37	-1.0	-44.06	320.03	1.33	-42.73
CC(C)NC1=CC(Br)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352473	0	37	-1.0	-42.69	342.28	1.94	-40.75
CC1=CC=C(CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024352474	0	39	-1.0	-45.80	345.49	4.62	-41.18
CN1CCC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C2C1=O	REAL300024352475	0	37	-1.0	-48.17	324.49	1.49	-46.68
O=C(CSC1=NNC(=O)[N-]1)NC1=NN(C2CCOCC2)C=C1	REAL300024352476	0	37	-1.0	-45.38	322.49	0.29	-45.09
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024352477	0	37	-1.0	-50.82	328.34	-2.92	-53.74
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]12	REAL300024352478	0	37	-1.0	-50.91	329.06	-2.72	-53.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CC2(F)F)CC1	REAL300024352479	0	36	-1.0	-45.46	315.18	2.42	-43.04
CNC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024352480	0	39	-1.0	-49.31	339.70	-3.62	-52.93
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C(N)=O)O1	REAL300024352481	0	34	-1.0	-47.03	297.20	-2.57	-49.60
C[NH+](C)CCNC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352482	0	45	0.0	-73.41	383.95	1.14	-72.27
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CN=C1OC	REAL300024352483	0	33	-1.0	-45.79	304.67	-2.63	-48.42
COC(=O)C(CC1=CC=CC(OC)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352484	0	42	-1.0	-49.77	377.08	2.13	-47.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)S2	REAL300024352485	0	34	-1.0	-47.91	283.12	2.66	-45.25
CC(=O)N(C)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352486	0	39	-1.0	-50.23	341.59	1.10	-49.13
CS(=O)(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352487	0	31	-1.0	-56.42	300.43	-4.43	-60.85
C[Si](C)(C)C1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352488	0	44	-1.0	-46.05	388.31	6.12	-39.93
CN1C2=CC=CC=C2CN(C(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024352489	0	37	-1.0	-46.65	322.53	2.17	-44.48
CN1N=CC(C2CC2)=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352490	0	36	-1.0	-43.88	324.66	0.47	-43.41
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)CCC[N@@H+]1C1CC1	REAL300024352491	0	52	0.0	-71.87	408.01	3.93	-67.94
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)CCC[N@H+]1C1CC1	REAL300024352491	1	52	0.0	-69.67	409.40	4.58	-65.09
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C1CC1	REAL300024352491	1	51	-1.0	-46.49	408.57	2.52	-43.97
CN1C=C(CC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024352492	0	42	-1.0	-47.74	359.10	1.89	-45.85
CCS(=O)(=O)N(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352493	0	40	-1.0	-50.37	358.75	-0.25	-50.62
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)OC(C)(C)C)C1	REAL300024352494	0	52	-1.0	-50.45	411.53	2.10	-48.35
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300024352495	0	37	-1.0	-45.09	340.72	2.47	-42.62
CC1=NOC(C23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352496	0	35	-1.0	-51.84	314.07	0.52	-51.32
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C(=O)OC(C)(C)C	REAL300024352497	0	47	-1.0	-46.03	372.92	4.39	-41.64
CC1(C)CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352498	0	42	-1.0	-43.89	323.86	-0.50	-44.39
COC(=O)C1=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=CO1	REAL300024352499	0	32	-1.0	-48.88	308.08	-0.51	-49.39
NC(=O)C1=CSC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352500	0	29	-1.0	-46.66	296.28	-5.31	-51.97
N#CC1=CC=CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)=C1	REAL300024352501	0	41	-1.0	-48.53	352.65	2.36	-46.17
CC1C(C(F)(F)F)OCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352502	0	33	-1.0	-42.79	295.99	0.41	-42.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC(F)=C(Br)C=C1F	REAL300024352503	0	32	-1.0	-43.19	322.88	2.45	-40.74
CN1C2(CCC2)COCC1(CO)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352504	0	46	-1.0	-45.83	346.10	-4.53	-50.36
CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352505	0	40	-1.0	-52.81	349.56	-3.50	-56.31
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)OC(C)(C)C	REAL300024352506	0	49	-1.0	-45.02	401.22	1.80	-43.22
CN1CC2=CC=CC=C2C(NC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024352507	0	37	-1.0	-53.15	330.06	0.64	-52.51
CC(C)CCO[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352508	0	48	-1.0	-44.53	391.15	2.58	-41.95
CC1=CC(Br)=C(CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024352509	0	29	-1.0	-42.85	305.51	1.28	-41.57
CC(=O)NC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352510	0	33	-1.0	-47.11	301.54	-0.06	-47.17
CN1C=CN=C1C(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC=CN1C	REAL300024352511	0	39	-1.0	-52.81	350.77	1.00	-51.81
COC(=O)C1=CN=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300024352512	0	41	-1.0	-48.88	373.93	2.55	-46.33
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C2=CC=CC=C2)N=C2CCCCN21	REAL300024352513	0	43	-1.0	-49.11	374.21	5.51	-43.60
COC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC(C)(C)C1	REAL300024352514	0	44	-1.0	-48.25	349.32	2.87	-45.38
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352515	0	40	-1.0	-47.61	354.18	3.13	-44.48
CC(C)(C)OC(=O)N1CC2(C1)CCC(CNC(=O)CSC1=NNC(=O)[N-]1)O2	REAL300024352516	0	51	-1.0	-48.84	426.11	0.32	-48.52
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(SC2=CC=CC=C2)=C1	REAL300024352517	0	37	-1.0	-43.69	348.46	4.84	-38.85
O=C(CSC1=NNC(=O)[N-]1)N(CC1=CC=CC=C1F)CC1CC1	REAL300024352518	0	39	-1.0	-49.53	343.34	5.53	-44.00
O=C(CSC1=NNC(=O)[N-]1)NN1CC2=CC=C(Br)C=C2C1=O	REAL300024352519	0	31	-1.0	-54.49	317.88	1.31	-53.18
COC(=O)C1=CNC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C12	REAL300024352520	0	36	-1.0	-49.86	334.66	1.40	-48.46
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=CC2=C1OC(F)(F)O2	REAL300024352521	0	35	-1.0	-49.31	335.05	0.71	-48.60
COC1=CC=C(NC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)C=C1	REAL300024352522	0	42	-1.0	-46.21	369.32	2.36	-43.85
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352523	0	42	0.0	-74.74	348.84	-2.63	-77.37
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352523	1	42	0.0	-71.49	354.77	-2.12	-73.61
NC(=O)[C@@H]1CCCN1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352523	1	41	-1.0	-51.09	346.05	-4.70	-55.79
O=C(CSC1=NNC(=O)[N-]1)NN1CCS(=O)(=O)CC1	REAL300024352524	0	31	-1.0	-50.47	291.85	-4.10	-54.57
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC2=C(CCC2)NC1=O	REAL300024352525	0	36	-1.0	-51.86	323.22	-0.40	-52.26
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)COC2=CC=CC=C2C1	REAL300024352526	0	38	-1.0	-44.63	327.96	-1.71	-46.34
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC2)C2=CC=C(Br)C=C21	REAL300024352527	0	34	-1.0	-44.65	321.64	4.67	-39.98
COC(=O)C1(OC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352528	0	36	-1.0	-45.83	317.66	-0.04	-45.87
O=C(CSC1=NNC(=O)[N-]1)NCC1(OCCO)CCC(F)(F)CC1	REAL300024352529	0	43	-1.0	-46.18	363.14	-1.82	-48.00
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024352530	0	49	-1.0	-51.30	413.63	0.63	-50.67
COC1=CC=C([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(OC)=C1	REAL300024352531	0	40	-1.0	-46.49	348.23	0.40	-46.09
CN1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C2=CC=CO2)=N1	REAL300024352532	0	33	-1.0	-45.66	311.24	0.23	-45.43
CCCOC1=CN=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352533	0	35	-1.0	-45.78	315.72	-0.03	-45.81
COC1=CC(CCNC(=O)CSC2=NNC(=O)[N-]2)=CC(OC)=C1O	REAL300024352534	0	41	-1.0	-50.28	364.93	-1.37	-51.65
COC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352535	0	36	-1.0	-54.58	323.40	0.34	-54.24
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC=N1)C1CCC1	REAL300024352536	0	38	-1.0	-43.58	329.83	1.80	-41.78
COC1=CC=C(CN2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352537	0	45	-1.0	-46.99	382.14	-0.40	-47.39
COC1=CC=C(C[N@@H+]2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352537	1	46	0.0	-73.15	387.21	2.76	-70.39
COC1=CC=C(C[N@H+]2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352537	1	46	0.0	-74.40	387.86	2.70	-71.70
COC1=C(C)C=C(Cl)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352538	0	33	-1.0	-43.27	317.42	1.51	-41.76
COC1=CC=C(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024352539	0	39	-1.0	-45.17	335.92	1.50	-43.67
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2=CC([N+](=O)[O-])=CC=C2C1	REAL300024352540	0	36	-1.0	-45.12	327.02	2.84	-42.28
CCC1=NOC(CC2(O)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024352541	0	44	-1.0	-50.52	371.86	-1.51	-52.03
O=C(CSC1=NNC(=O)[N-]1)NC1COC2=CC(F)=CC=C2C1	REAL300024352542	0	34	-1.0	-46.60	311.80	0.90	-45.70
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@@H+](C2CCCCC2)C1	REAL300024352543	0	45	0.0	-68.02	356.63	2.79	-65.23
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@H+](C2CCCCC2)C1	REAL300024352543	1	45	0.0	-67.55	355.32	2.63	-64.92
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2=CC=C(O)C=C21	REAL300024352544	0	34	-1.0	-48.42	305.72	-0.83	-49.25
C[C@H]1[C@H](C2=CC=CC(Cl)=C2)OCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352545	0	40	-1.0	-43.30	351.30	3.42	-39.88
COC(=O)C(C)(C)N1C=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352546	0	38	-1.0	-47.51	342.48	1.43	-46.08
NC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C1CC1	REAL300024352547	0	39	-1.0	-45.62	327.18	-3.47	-49.09
COC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(OCC(F)F)=C1	REAL300024352548	0	39	-1.0	-47.72	365.35	2.05	-45.67
CC(C)C1=CC(Cl)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352549	0	35	-1.0	-42.23	321.45	3.38	-38.85
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NOC=C2)CC1	REAL300024352550	0	35	-1.0	-46.01	305.77	1.85	-44.16
CCOC(=O)C12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024352551	0	36	-1.0	-47.84	316.86	3.25	-44.59
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300024352552	0	39	-1.0	-47.79	363.98	5.87	-41.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=CC=C1	REAL300024352553	0	46	-1.0	-45.70	391.68	2.08	-43.62
O=C(CSC1=NNC(=O)[N-]1)NC(C(F)F)C1CCCCC1	REAL300024352554	0	38	-1.0	-41.25	322.44	2.23	-39.02
CC1=CC=CC=C1OC1=CC(F)=CC(F)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352555	0	40	-1.0	-43.79	366.37	4.51	-39.28
O=C(CSC1=NNC(=O)[N-]1)NC1COC2=C(C1)C1=CC=CC=C1C=C2	REAL300024352556	0	40	-1.0	-46.87	348.14	2.93	-43.94
COC(=O)C1(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCOC1	REAL300024352557	0	45	-1.0	-44.90	364.01	-0.75	-45.65
CCC(C)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352558	0	38	-1.0	-43.55	326.80	3.29	-40.26
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC=C1C1=CC=C(Cl)C=C1	REAL300024352559	0	33	-1.0	-49.14	326.43	2.60	-46.54
CC(CO)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300024352560	0	39	-1.0	-45.40	349.69	-0.09	-45.49
CCCCC(CC)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352561	0	49	-1.0	-43.83	389.47	5.55	-38.28
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C(F)F)O1	REAL300024352562	0	36	-1.0	-44.56	312.12	0.94	-43.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300024352563	0	44	-1.0	-43.96	357.50	4.44	-39.52
O=C(CSC1=NNC(=O)[N-]1)NC(CO)C1=CC=CC(Cl)=C1Cl	REAL300024352564	0	33	-1.0	-45.47	331.52	-0.29	-45.76
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CN2CCCC2=O)C1	REAL300024352565	0	40	-1.0	-54.05	342.43	1.86	-52.19
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CN2CCCC2=O)C1	REAL300024352566	0	40	-1.0	-54.05	342.43	1.86	-52.19
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300024352567	0	37	-1.0	-44.99	326.42	2.74	-42.25
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(C2CCC2)CC1	REAL300024352568	0	42	-1.0	-42.93	339.48	3.54	-39.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300024352569	0	43	0.0	-70.34	342.97	-0.16	-70.50
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300024352569	1	43	0.0	-70.17	341.75	-0.27	-70.44
O=C(CSC1=NNC(=O)[N-]1)NC1CC2C3=CC=CC=C3CCC12	REAL300024352570	0	40	-1.0	-43.74	335.76	3.94	-39.80
CC(C)(C)O[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352571	0	39	-1.0	-43.39	331.30	0.42	-42.97
NS(=O)(=O)C1=CC2=C(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024352572	0	35	-1.0	-51.05	337.21	-2.69	-53.74
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300024352573	0	46	-1.0	-51.67	383.56	0.96	-50.71
CC(C)(C)OC(=O)CC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024352574	0	47	-1.0	-44.46	389.99	3.45	-41.01
CC1(C2=NN=C(C3CCOCC3)O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352575	0	45	-1.0	-51.81	389.76	-2.58	-54.39
CN(OCC(F)(F)F)C(=O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352576	0	33	-1.0	-45.78	324.64	-1.28	-47.06
CC1(C)CC2=CC=CC(CCNC(=O)CSC3=NNC(=O)[N-]3)=C2O1	REAL300024352577	0	43	-1.0	-46.94	372.82	2.84	-44.10
CON(C(=O)CSC1=NNC(=O)[N-]1)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300024352578	0	39	-1.0	-43.58	353.08	4.21	-39.37
C[C@@H]1OCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C(F)(F)F	REAL300024352579	0	33	-1.0	-44.65	282.08	0.42	-44.23
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CC1(CC1(F)F)C2	REAL300024352580	0	37	-1.0	-43.03	309.89	3.27	-39.76
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CC(F)(F)C2	REAL300024352581	0	33	-1.0	-42.61	282.09	2.16	-40.45
CC(C)C1=NC=C2C(=N1)CC1CCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352582	0	44	-1.0	-46.32	369.19	3.43	-42.89
CC(C)(C)C1=NC=C2C(=N1)CC1CCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352583	0	47	-1.0	-46.28	387.76	4.20	-42.08
CC1=CNC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C12	REAL300024352584	0	33	-1.0	-46.43	301.28	1.45	-44.98
CC1(C2=NSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)CC1	REAL300024352585	0	30	-2.0	-87.77	296.87	0.18	-87.59
CC1(C2=NSC(NC(=O)CSC3=NNC(=O)[N-]3)=N2)CC1	REAL300024352585	1	31	-1.0	-42.83	300.16	1.29	-41.54
CC(C)[C@H]1CN(CC2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352586	0	50	-1.0	-42.32	390.12	3.79	-38.53
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352586	1	51	0.0	-71.65	400.92	6.90	-64.75
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352586	1	51	0.0	-71.23	392.24	5.93	-65.30
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2OC3(CCC3)CCC2=C1	REAL300024352587	0	41	-1.0	-46.55	349.53	3.30	-43.25
CNC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(OC)=C1	REAL300024352588	0	37	-1.0	-47.10	332.97	-1.58	-48.68
CC(C)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352589	0	52	-1.0	-43.63	399.34	3.22	-40.41
CC1C2=CC=CC=C2OCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352590	0	37	-1.0	-44.13	312.87	2.77	-41.36
CC(C)(C)OC(=O)C1C2=CC=CC=C2CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352591	0	48	-1.0	-46.46	396.36	6.20	-40.26
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2)C1C1=CC=NC=C1	REAL300024352592	0	39	-1.0	-47.45	337.06	3.13	-44.32
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2=CC=CC=C2N2C=CN=C12	REAL300024352593	0	40	-1.0	-51.39	349.18	3.40	-47.99
CC1=CC(=O)NC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C12	REAL300024352594	0	35	-1.0	-48.54	319.18	0.40	-48.14
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC12OCCO2	REAL300024352595	0	35	-1.0	-44.45	303.59	-0.94	-45.39
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=NC=CC=N1	REAL300024352596	0	34	-1.0	-49.35	306.69	1.04	-48.31
CC1CCCC(CC[NH+](C)C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352597	0	47	0.0	-60.43	353.58	3.75	-56.68
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC2=CC=C([N+](=O)[O-])C=C21	REAL300024352598	0	38	-1.0	-48.70	335.45	5.03	-43.67
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(CN2C=CN=N2)C1	REAL300024352599	0	36	-1.0	-52.02	320.05	-0.87	-52.89
CC1=NC(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)=CO1	REAL300024352600	0	35	-1.0	-47.43	324.54	-0.24	-47.67
CC1C(=O)N(NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1C	REAL300024352601	0	31	-1.0	-53.35	295.89	-1.52	-54.87
COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352602	0	41	-1.0	-57.25	365.15	-1.30	-58.55
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](C2CCOC2)CC1	REAL300024352603	0	43	0.0	-70.55	346.22	0.36	-70.19
CC(C)(C)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024352604	0	42	-1.0	-51.35	352.14	0.71	-50.64
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1OC(F)F	REAL300024352605	0	34	-1.0	-48.25	316.36	0.21	-48.04
CN1C=C(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)N=N1	REAL300024352606	0	35	-1.0	-59.90	324.25	0.85	-59.05
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OC2CC2(F)F)C=C1	REAL300024352607	0	34	-1.0	-46.07	321.84	1.89	-44.18
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC2=CC(Br)=CC=C21	REAL300024352608	0	39	-1.0	-43.97	342.57	4.74	-39.23
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(NC2=CC=CC=C2)C=N1	REAL300024352609	0	37	-1.0	-48.58	334.71	2.71	-45.87
COC1=CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C=C1OC	REAL300024352610	0	40	-1.0	-47.48	352.70	2.23	-45.25
CC1(C2=NN=C(C3=CC=CN=C3)O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352611	0	40	-1.0	-48.13	369.60	-2.07	-50.20
CN1C=C([C@@H]2NC(=O)CC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024352612	0	40	-1.0	-52.56	356.23	-1.83	-54.39
CN(NC(=O)OCC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352613	0	37	-1.0	-45.24	345.49	1.92	-43.32
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C(F)(F)F)C(F)=C1	REAL300024352614	0	29	-1.0	-46.07	292.15	1.79	-44.28
O=C(CSC1=NNC(=O)[N-]1)NNC1=NC2=CC=CC=C2NC1=S	REAL300024352615	0	33	-1.0	-51.13	323.53	0.85	-50.28
CC(C)C1=NC(CNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024352616	0	34	-1.0	-44.49	321.72	-0.14	-44.63
COC1(OC)CCOCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352617	0	38	-1.0	-43.75	317.96	-2.76	-46.51
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C1=NC=CO1	REAL300024352618	0	32	-1.0	-46.46	298.21	0.38	-46.08
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=C(O)C2=CC=CC=C12	REAL300024352619	0	33	-1.0	-46.47	316.33	0.88	-45.59
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=C([O-])C2=CC=CC=C12	REAL300024352619	1	32	-2.0	-93.39	312.78	1.64	-91.75
CSCC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=N[N-]N=N1	REAL300024352620	0	33	-2.0	-90.65	324.96	-1.69	-92.34
CSCC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=N[N-]1	REAL300024352620	1	33	-2.0	-90.67	325.02	-1.68	-92.35
CC(C)(C)OC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300024352621	0	44	-1.0	-48.02	369.77	-1.41	-49.43
O=C(CSC1=NNC(=O)[N-]1)NCCN1CCN(C2=NC=CC=N2)CC1	REAL300024352622	0	44	-1.0	-49.17	373.93	-0.74	-49.91
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2[N-]C(C3CC3)=CC2=O)N=C1	REAL300024352623	0	39	-2.0	-94.81	361.94	2.12	-92.69
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC=C1I	REAL300024352624	0	23	-1.0	-47.12	257.18	-0.53	-47.65
CC(C)(C)OC(=O)C1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352625	0	44	-1.0	-45.33	358.69	4.39	-40.94
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NN=CN2)CC1	REAL300024352626	0	35	-1.0	-49.83	305.00	2.01	-47.82
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NNC=N2)CC1	REAL300024352626	1	35	-1.0	-49.63	307.06	1.49	-48.14
COC(=O)C(CC1=CC=CC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352627	0	39	-1.0	-50.34	359.52	-0.05	-50.39
O=C(CSC1=NNC(=O)[N-]1)NCCN1CCC2(C1)OCCO2	REAL300024352628	0	40	-1.0	-45.59	342.17	-3.35	-48.94
COCCOCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352629	0	45	-1.0	-45.23	374.09	-1.40	-46.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(CC(F)(F)F)C1	REAL300024352630	0	34	-1.0	-44.49	308.11	-1.89	-46.38
N#CC1=CC=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N=C1	REAL300024352631	0	39	-1.0	-46.62	344.62	3.05	-43.57
O=C(CSC1=NNC(=O)[N-]1)NCC1=NN=C2C(Cl)=CC=CN12	REAL300024352632	0	31	-1.0	-51.25	312.30	1.65	-49.60
O=C(CSC1=NNC(=O)[N-]1)NCC1=NN=C2C=CC(Cl)=CN21	REAL300024352633	0	31	-1.0	-47.50	312.25	1.69	-45.81
COC1=CC=CC(CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352634	0	35	-1.0	-48.55	321.85	-1.64	-50.19
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C(=O)NC2=CC=CC=N2)C1	REAL300024352635	0	42	-1.0	-49.42	360.97	2.60	-46.82
COC1=NSC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1Br	REAL300024352636	0	29	-1.0	-43.40	310.70	-2.66	-46.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C2OCCCC2=C1	REAL300024352637	0	40	-1.0	-44.89	345.14	2.31	-42.58
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OC(F)(F)F)C=C1Cl	REAL300024352638	0	30	-1.0	-40.76	308.82	1.15	-39.61
CC1(C(F)F)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024352639	0	33	-1.0	-43.70	291.10	0.38	-43.32
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN=CC=C1C(F)(F)F	REAL300024352640	0	31	-1.0	-45.03	299.79	0.45	-44.58
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024352641	0	47	-1.0	-48.79	386.67	2.27	-46.52
CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300024352642	0	44	-1.0	-45.48	380.38	5.81	-39.67
CC(CC1=CC=CC=C1)N(CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352643	0	48	-1.0	-47.96	389.80	7.89	-40.07
CC(C)(CCN1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352644	0	44	-1.0	-44.22	350.42	-1.90	-46.12
CC(C)(CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352644	1	45	0.0	-73.78	352.94	0.37	-73.41
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CC1(C)CCC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2O1	REAL300024352648	0	40	-1.0	-45.07	336.78	2.70	-42.37
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CC(C)(C)OC(=O)C1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352657	0	47	-1.0	-46.21	374.55	3.97	-42.24
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CCS(=O)(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352659	0	35	-1.0	-50.32	327.73	-2.37	-52.69
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CC1(C2=CC=CC=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352664	0	36	-1.0	-44.30	316.41	3.48	-40.82
CC(C)OC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352665	0	42	-1.0	-44.03	346.91	1.68	-42.35
CC1(C)[C@@H](C2=CC=CC=C2)[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352666	0	39	-1.0	-44.05	334.02	3.41	-40.64
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CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(CC(F)(F)F)O1	REAL300024352668	0	36	-1.0	-44.24	318.11	1.61	-42.63
CC(C)(C)C1=NN=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300024352669	0	41	-1.0	-49.44	339.47	2.79	-46.65
CC(C)(C)OC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352670	0	46	-1.0	-50.91	379.16	0.78	-50.13
CCC(CC)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352671	0	45	-1.0	-47.07	358.03	2.24	-44.83
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CCCCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352674	0	44	-1.0	-43.00	349.12	4.59	-38.41
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O=C(CSC1=NNC(=O)[N-]1)NC(CO)C1=CC=C(F)C=C1F	REAL300024352676	0	33	-1.0	-45.28	314.59	-1.04	-46.32
O=C(CSC1=NNC(=O)[N-]1)NC1=NC2=CC(F)=C(Cl)C=C2N1	REAL300024352677	0	29	-1.0	-40.88	296.15	2.73	-38.15
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CCOC1=CC=C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N=N1	REAL300024352682	0	43	-1.0	-48.81	367.05	-0.65	-49.46
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CNC(=O)CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024352686	0	45	-1.0	-50.60	356.59	-0.15	-50.75
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CCN(CC1=CN(CC)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352689	0	38	-1.0	-50.23	336.36	2.58	-47.65
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CC1(CC2=CC=CC3=CC=CC=C32)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352691	0	48	-1.0	-46.58	382.54	6.90	-39.68
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CN1N=CC=C1C(O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352695	0	43	-1.0	-47.83	356.67	-0.41	-48.24
CC(C)CC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352696	0	41	-1.0	-42.74	348.82	3.55	-39.19
COC1=CC=CC(C(CNC(=O)CSC2=NNC(=O)[N-]2)OC)=C1	REAL300024352697	0	40	-1.0	-45.87	354.66	0.08	-45.79
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CC1=NN=C(CN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024352700	0	30	-1.0	-44.78	293.24	-0.19	-44.97
CC1(C)CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024352701	0	42	-1.0	-43.00	355.83	3.67	-39.33
CC(C)(C)OC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024352702	0	50	-1.0	-45.51	400.68	2.28	-43.23
CC1=CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C(O)C=C1Cl	REAL300024352703	0	40	-1.0	-44.92	359.54	2.04	-42.88
N#CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1Br	REAL300024352704	0	30	-1.0	-47.17	307.99	1.93	-45.24
O=C(CSC1=NNC(=O)[N-]1)NCCN1CC2CCCCN2C1=O	REAL300024352705	0	42	-1.0	-53.42	357.18	0.70	-52.72
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCCOC1	REAL300024352706	0	43	-1.0	-45.84	336.99	-2.18	-48.02
CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352707	0	49	-1.0	-46.69	388.07	4.97	-41.72
CC1=CC=CC(CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024352708	0	39	-1.0	-45.83	345.43	4.53	-41.30
O=C(CSC1=NNC(=O)[N-]1)NC1=NN(C2=CC=CC=C2)C=C1	REAL300024352709	0	33	-1.0	-46.33	305.94	2.88	-43.45
CCC(CC1=CC=C(Br)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352710	0	38	-1.0	-46.04	348.89	3.85	-42.19
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2=CC=C(O)C=C2C1	REAL300024352711	0	35	-1.0	-45.13	309.90	-0.70	-45.83
CCC[N@H+](C)CC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352712	0	43	0.0	-69.08	334.75	2.78	-66.30
CCC[N@@H+](C)CC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352712	1	43	0.0	-68.86	335.43	2.81	-66.05
O=C(CSC1=NNC(=O)[N-]1)NCCC1CC1(Cl)Cl	REAL300024352713	0	29	-1.0	-45.05	298.59	1.18	-43.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300024352714	0	40	-1.0	-45.02	344.46	3.52	-41.50
COCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352715	0	39	-1.0	-44.69	324.43	1.36	-43.33
CCC(CC)(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024352716	0	44	-1.0	-44.45	362.10	3.75	-40.70
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)CC(F)(F)F	REAL300024352717	0	34	-1.0	-43.35	299.59	0.94	-42.41
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2CC(=O)NC(=O)N2)C=C1	REAL300024352718	0	38	-1.0	-52.35	339.25	-2.17	-54.52
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COC1=CC=CC=C1[C@@H](O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352720	0	37	-1.0	-46.09	330.95	-2.07	-48.16
COC1=CC=CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)=C1	REAL300024352721	0	40	-1.0	-46.69	343.76	1.96	-44.73
CC1=CC=CC(C2C(=O)NCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352722	0	40	-1.0	-49.91	344.03	1.20	-48.71
CC(C)C[C@H]1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352723	0	39	-1.0	-42.59	315.00	1.14	-41.45
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1Br	REAL300024352724	0	29	-1.0	-42.54	286.05	0.51	-42.03
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O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=NC(C3CCCC3)=NO2)CC1	REAL300024352726	0	50	-1.0	-47.14	408.48	3.51	-43.63
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=NC=CN=N2)CC1	REAL300024352727	0	35	-1.0	-49.16	309.16	0.39	-48.77
CN1C=CN=C1CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024352728	0	42	-1.0	-48.81	374.53	4.04	-44.77
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300024352729	0	46	-1.0	-49.98	387.45	1.85	-48.13
CC1(C)CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352730	0	42	-1.0	-43.49	335.95	-0.76	-44.25
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COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C(Cl)C=C1Br	REAL300024352733	0	30	-1.0	-40.93	311.83	1.31	-39.62
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(N2CCC(O)CC2)C=C1	REAL300024352734	0	45	-1.0	-44.97	377.97	-1.21	-46.18
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=NC(OCCO)=C1	REAL300024352735	0	33	-1.0	-46.27	308.44	-4.72	-50.99
CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)N=C1C	REAL300024352736	0	35	-1.0	-49.71	315.94	1.32	-48.39
CC1=CN2C=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC2=N1	REAL300024352737	0	32	-1.0	-47.87	299.14	1.91	-45.96
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=C1COCC2	REAL300024352738	0	34	-1.0	-44.93	298.39	1.01	-43.92
CC1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1Br	REAL300024352739	0	33	-1.0	-44.22	315.77	3.56	-40.66
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=C(F)C=C2)CCC1	REAL300024352740	0	36	-1.0	-45.62	317.54	2.82	-42.80
CC(C1=CC=CC=C1)C(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352741	0	39	-1.0	-44.58	340.91	-0.60	-45.18
COC(=O)C1N(C(=O)CSC2=NNC(=O)[N-]2)CC12CCOCC2	REAL300024352742	0	40	-1.0	-52.44	344.70	1.66	-50.78
NC(=O)C1=CC(F)=CC=C1N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352743	0	42	-1.0	-47.44	363.07	0.18	-47.26
CC[N@H+](C)CC1=CC(OC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024352744	0	51	0.0	-63.44	418.48	3.86	-59.58
CC[N@@H+](C)CC1=CC(OC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024352744	1	51	0.0	-69.07	418.40	3.47	-65.60
CCN(C)CC1=CC(OC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024352744	1	50	-1.0	-46.17	416.27	1.13	-45.04
O=C(CSC1=NNC(=O)[N-]1)NCC(C1CCC1)C1CCC1	REAL300024352745	0	42	-1.0	-42.42	341.69	3.27	-39.15
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=CC(C2=CC=CC=C2)=C1	REAL300024352746	0	42	-1.0	-46.43	369.67	5.02	-41.41
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OCC2=CC=C(F)C=C2)CC1	REAL300024352747	0	43	-1.0	-46.40	372.32	4.14	-42.26
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300024352748	0	39	-1.0	-45.29	341.58	4.58	-40.71
CS(=O)(=O)C1=CC=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C=C1	REAL300024352749	0	43	-1.0	-52.18	383.64	-0.04	-52.22
CC(CN(C)C(=O)OC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352750	0	45	-1.0	-49.71	375.36	1.40	-48.31
COC(=O)[C@H]1C[C@@H](N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352751	0	35	-1.0	-45.76	308.49	1.61	-44.15
O=C(CSC1=NNC(=O)[N-]1)N1CCC(N2CCOC2=O)CC1	REAL300024352752	0	38	-1.0	-57.38	322.16	0.87	-56.51
CCCCCCC(CC)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352753	0	49	-1.0	-44.12	390.91	5.75	-38.37
CC1=CC=CC2=C1CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352754	0	39	-1.0	-45.99	325.03	3.09	-42.90
O=C(CSC1=NNC(=O)[N-]1)N1CC(CC2=CSC=C2)C1	REAL300024352755	0	33	-1.0	-45.71	314.00	2.78	-42.93
COC1=CC=C(Br)C=C1OC(=O)CSC1=NNC(=O)[N-]1	REAL300024352756	0	29	-1.0	-43.48	298.65	3.35	-40.13
CC(C)CN(CC1=CC=CC(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352757	0	41	-1.0	-42.82	364.14	5.71	-37.11
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC2=CC=CC=C2CC1	REAL300024352758	0	42	-1.0	-44.48	348.07	3.93	-40.55
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)COC2=CC=CC=C2O1	REAL300024352759	0	38	-1.0	-45.43	333.01	0.83	-44.60
CC(C)(C)OC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024352760	0	45	-1.0	-44.20	363.33	1.81	-42.39
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(S(=O)(=O)C2=CC=CC=C2)=C1	REAL300024352761	0	39	-1.0	-55.06	366.24	1.49	-53.57
NS(=O)(=O)C1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300024352762	0	34	-1.0	-51.06	333.62	-4.13	-55.19
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300024352763	0	33	-2.0	-93.92	335.83	1.57	-92.35
O=C(CSC1=NNC(=O)[N-]1)NC1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300024352763	1	34	-1.0	-52.22	339.13	2.69	-49.53
CC(C)C(O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024352764	0	42	-1.0	-43.54	351.22	1.41	-42.13
CC1COC2(CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352765	0	40	-1.0	-41.80	317.46	1.80	-40.00
COC1=CC=C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024352766	0	37	-1.0	-48.42	314.04	2.67	-45.75
COC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300024352767	0	39	-1.0	-43.35	324.99	0.40	-42.95
O=C(CSC1=NNC(=O)[N-]1)NCC1=C2C=COC2=CC=C1	REAL300024352768	0	32	-1.0	-45.42	301.18	1.17	-44.25
O=C(CSC1=NNC(=O)[N-]1)NCC(F)(F)C1=CC=C(F)C=C1	REAL300024352769	0	32	-1.0	-43.11	311.76	1.80	-41.31
CC(C)(C)OC(=O)C(C)(C)N1C=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352770	0	47	-1.0	-50.51	396.34	3.69	-46.82
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CC(=O)N(C2CC2)[C@H]1C1=CC=NC=C1	REAL300024352771	0	46	-1.0	-49.24	396.34	2.06	-47.18
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2CCCCC2)C1	REAL300024352772	0	45	-1.0	-43.18	349.48	4.64	-38.54
NC(=O)CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024352773	0	42	-1.0	-50.34	334.66	-1.64	-51.98
O=C(CSC1=NNC(=O)[N-]1)NCC(N1C=CC=N1)C(F)(F)F	REAL300024352774	0	32	-1.0	-44.97	306.13	-0.07	-45.04
O=C(CSC1=NNC(=O)[N-]1)NCCC=CC1=CC=C(Br)C=C1	REAL300024352775	0	36	-1.0	-44.94	347.78	3.54	-41.40
CC(C1CC2=CC=CC=C21)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352776	0	39	-1.0	-47.68	332.74	4.66	-43.02
COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352777	0	39	-1.0	-44.20	326.83	2.56	-41.64
O=C(CSC1=NNC(=O)[N-]1)NCC(O)C1=CC(F)=C(F)C(F)=C1	REAL300024352778	0	33	-1.0	-47.59	321.91	-1.27	-48.86
NC(=O)C1=CC=CC2=C1CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024352779	0	37	-1.0	-50.40	319.07	-0.04	-50.44
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(C1=CC=CC=C1)C2	REAL300024352780	0	37	-1.0	-46.01	323.42	4.23	-41.78
COC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352781	0	37	-1.0	-46.61	322.51	-1.17	-47.78
COCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024352782	0	39	-1.0	-43.39	318.46	0.66	-42.73
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=NC=C1)C1(CO)CCC1	REAL300024352783	0	42	-1.0	-45.61	348.74	-0.85	-46.46
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2CC2)(C2CC2)C1	REAL300024352784	0	41	-1.0	-42.83	335.91	3.10	-39.73
O=C(CSC1=NNC(=O)[N-]1)NCCC1SCCS1	REAL300024352785	0	31	-1.0	-45.39	300.89	0.94	-44.45
CCOC(=O)C1(C)CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352786	0	41	-1.0	-49.03	348.22	2.37	-46.66
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2=CC(Br)=CC=C2C1	REAL300024352787	0	34	-1.0	-43.00	320.13	2.78	-40.22
COC1=NC(C)=CC(C)=C1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352788	0	41	-1.0	-49.40	347.15	1.81	-47.59
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OC2=CC=CN=N2)C=C1	REAL300024352789	0	35	-1.0	-51.53	329.32	-0.21	-51.74
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352790	0	49	0.0	-60.01	372.92	3.07	-56.94
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352791	0	35	-1.0	-44.61	309.23	1.11	-43.50
COC1=CC=C(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)C=C1	REAL300024352792	0	44	-1.0	-45.53	361.30	1.28	-44.25
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[NH+](CC2CC2)CC1	REAL300024352793	0	45	0.0	-69.69	364.20	3.29	-66.40
CC1(C)CC1(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024352794	0	39	-1.0	-44.27	340.83	3.35	-40.92
CC(C)N1C=C(C2N(C(=O)CSC3=NNC(=O)[N-]3)CC23CCOCC3)C=N1	REAL300024352795	0	50	-1.0	-51.95	409.34	2.61	-49.34
CC1=CC=CC=C1C(F)(F)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352796	0	35	-1.0	-43.64	318.53	2.10	-41.54
O=C(CSC1=NNC(=O)[N-]1)NCCC1=NSC2=CC=CC=C21	REAL300024352797	0	34	-1.0	-49.05	326.19	1.63	-47.42
COC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024352798	0	42	-1.0	-43.46	343.12	0.73	-42.73
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC2=C1OC(F)(F)O2	REAL300024352799	0	32	-1.0	-47.37	313.54	-0.07	-47.44
CCOC(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024352800	0	42	-1.0	-43.66	348.72	1.07	-42.59
CC(C)(C)OC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024352801	0	44	-1.0	-43.69	365.75	2.91	-40.78
CC(C)(C)OC(=O)NC12CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024352802	0	50	-1.0	-49.19	400.06	1.39	-47.80
CN1N=CC(C(F)(F)F)=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352803	0	32	-1.0	-44.48	313.74	-0.61	-45.09
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CC2=CC=CC=C2CO1	REAL300024352804	0	37	-1.0	-44.94	327.38	1.05	-43.89
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1CCC(=O)N1	REAL300024352805	0	31	-1.0	-51.69	293.67	-4.80	-56.49
CC(C)CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352806	0	44	-1.0	-43.25	384.94	6.16	-37.09
CC(C)CN(CC1=CC=C(F)C(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352807	0	41	-1.0	-43.97	368.80	5.72	-38.25
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(F)(F)F	REAL300024352808	0	39	-1.0	-48.31	346.84	0.81	-47.50
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300024352808	1	38	-2.0	-91.30	342.70	-0.59	-91.89
O=C(CSC1=NNC(=O)[N-]1)N1CC23COCC2(C1)CCCC3	REAL300024352809	0	41	-1.0	-43.78	325.58	1.25	-42.53
COC1=CC=CC=C1C1=NOC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352810	0	39	-1.0	-48.85	356.21	1.57	-47.28
COC(=O)C1=CN=C(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024352811	0	41	-1.0	-47.03	373.87	2.53	-44.50
CC1=NN2C(=C1)N=CC=C2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352812	0	31	-1.0	-53.23	294.52	1.06	-52.17
COCCOCCOCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352813	0	46	-1.0	-48.70	401.66	-1.00	-49.70
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1OC1=CC=C(F)C=C1	REAL300024352814	0	40	-1.0	-45.66	367.06	3.69	-41.97
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(F)=CC=C1OC(F)F	REAL300024352815	0	33	-1.0	-44.74	318.54	0.53	-44.21
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=C(Cl)C=C1Br	REAL300024352816	0	28	-1.0	-42.85	299.98	1.53	-41.32
O=C(CSC1=NNC(=O)[N-]1)NN=C1NC2=CC=C(Cl)C=C2S1	REAL300024352817	0	30	-1.0	-46.33	316.28	1.69	-44.64
CCN(CCOC1=CC=CC=C1OC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352818	0	43	-1.0	-52.77	370.20	3.46	-49.31
CC(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C(O)C1=CC=C(Cl)C=C1	REAL300024352819	0	42	-1.0	-44.67	359.19	1.04	-43.63
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(N2CCCNC2=O)C=C1	REAL300024352820	0	42	-1.0	-51.33	370.07	0.60	-50.73
COC1=CC(CCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(OC)=C1O	REAL300024352821	0	44	-1.0	-49.50	386.42	-0.59	-50.09
CC1=CSC(C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352822	0	30	-1.0	-44.19	300.53	-0.73	-44.92
CC1=CSC(C(=O)[N-]NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352822	1	29	-2.0	-92.69	299.43	-1.46	-94.15
COC(=O)CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352823	0	38	-1.0	-47.79	350.90	2.30	-45.49
COC1=CC=CC(NC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)=C1	REAL300024352824	0	42	-1.0	-45.92	368.86	2.35	-43.57
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)NC1=CC=CC=C1	REAL300024352825	0	39	-1.0	-45.29	339.16	0.72	-44.57
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC2=CC=CC=C2S1	REAL300024352826	0	37	-1.0	-44.76	336.96	1.47	-43.29
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=CC=CC(F)=N1	REAL300024352827	0	28	-2.0	-98.24	288.87	-3.00	-101.24
CC1=NN=C(C23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024352828	0	35	-1.0	-49.86	311.67	-1.53	-51.39
C[NH+](C)CCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024352829	0	45	0.0	-67.33	364.31	2.28	-65.05
CC(O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024352830	0	36	-1.0	-44.23	313.43	-0.93	-45.16
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(F)C(N2CCOCC2)=C1	REAL300024352831	0	39	-1.0	-43.71	342.19	-0.15	-43.86
CC1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352832	0	39	-1.0	-43.60	322.81	-1.06	-44.66
CC(C[NH+](C)C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352833	0	47	0.0	-64.38	350.87	4.00	-60.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCC(F)CC1	REAL300024352834	0	38	-1.0	-44.06	319.87	2.11	-41.95
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2	REAL300024352835	0	46	-1.0	-43.39	374.12	0.12	-43.27
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300024352835	1	47	0.0	-69.11	372.66	1.90	-67.21
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300024352836	0	52	0.0	-72.22	419.79	5.42	-66.80
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300024352836	1	52	0.0	-73.49	417.36	5.45	-68.04
CC(C)NC(=O)[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352837	0	42	-1.0	-44.78	351.75	0.85	-43.93
CC(C)NC(=O)[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352838	0	42	-1.0	-44.72	351.77	0.85	-43.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300024352839	0	42	-1.0	-44.85	353.69	4.47	-40.38
CC(C)(C)OC(=O)C(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024352840	0	47	-1.0	-44.32	390.07	4.22	-40.10
CN1CCN(CC2=CC=CC=C2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352841	0	49	-1.0	-43.83	392.89	-0.84	-44.67
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352841	1	50	0.0	-72.15	396.34	2.09	-70.06
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352841	1	50	0.0	-71.55	403.75	2.54	-69.01
CC1(C)C[N@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352842	0	54	0.0	-64.67	405.85	6.69	-57.98
CC1(C)C[N@@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352842	1	54	0.0	-64.54	405.71	6.71	-57.83
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)CN1CC1=CC=CC=C1	REAL300024352842	1	53	-1.0	-42.51	407.04	4.98	-37.53
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C2=CC=CN=C2)=NN1CCO	REAL300024352843	0	39	-1.0	-47.71	355.95	-1.31	-49.02
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352844	0	40	-1.0	-57.17	355.80	1.62	-55.55
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2CCCCC2)=C1	REAL300024352845	0	42	-1.0	-44.80	349.95	4.53	-40.27
CSC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1Br	REAL300024352846	0	30	-1.0	-43.06	307.24	2.30	-40.76
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=C(Br)C=C1F	REAL300024352847	0	26	-1.0	-40.92	289.07	1.92	-39.00
COC1=CC=CC=C1[C@H](O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352848	0	37	-1.0	-46.16	331.25	-2.14	-48.30
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@H+](CC2CC2)C1	REAL300024352849	0	45	0.0	-66.52	359.07	3.25	-63.27
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@@H+](CC2CC2)C1	REAL300024352849	1	45	0.0	-69.16	356.82	2.80	-66.36
COC(=O)[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300024352850	0	38	-1.0	-46.92	318.00	2.35	-44.57
CN(C)C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352851	0	41	-1.0	-52.29	336.66	0.66	-51.63
COC(=O)C(C)(C)N1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024352852	0	38	-1.0	-48.06	342.73	0.46	-47.60
CN(C1=CC=CC=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352853	0	41	-1.0	-44.74	342.68	3.50	-41.24
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=C(Cl)C=N1	REAL300024352854	0	27	-1.0	-42.78	278.83	0.13	-42.65
CCC(CC)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352855	0	43	-1.0	-43.88	346.50	4.00	-39.88
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(C2CCCCO2)N=C1	REAL300024352856	0	37	-1.0	-50.59	325.54	-0.80	-51.39
COC(=O)C1=C(NC(=O)CSC2=NNC(=O)[N-]2)N=C2CCCN21	REAL300024352857	0	36	-1.0	-53.03	328.45	2.31	-50.72
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CN=C1C(F)(F)F	REAL300024352858	0	31	-1.0	-43.59	298.91	0.59	-43.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCCC2=O)CC1	REAL300024352859	0	38	-1.0	-46.16	310.27	2.43	-43.73
CC(C)(C)OC(=O)N1CC2(C1)CCCCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024352860	0	53	-1.0	-47.89	410.38	3.66	-44.23
CC(C)(C)[Si](C)(C)OC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352861	0	48	-1.0	-44.35	394.20	4.76	-39.59
CC(C)C[NH2+]C1(CO)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352862	0	48	0.0	-73.77	368.99	-0.39	-74.16
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CS(=O)(=O)C[C@H]1O	REAL300024352863	0	33	-1.0	-56.20	301.42	-5.51	-61.71
NC(=O)C1=NC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2O1	REAL300024352864	0	32	-1.0	-48.77	308.66	-5.58	-54.35
CN(C)S(C)(=O)=NC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352865	0	43	-1.0	-57.01	391.93	-0.77	-57.78
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)OCC(F)(F)F	REAL300024352866	0	27	-1.0	-43.39	283.26	-2.74	-46.13
NC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C(N)=O	REAL300024352867	0	34	-1.0	-50.61	311.00	-6.52	-57.13
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(CO)C(CO)=C1	REAL300024352868	0	34	-1.0	-49.43	307.59	-4.33	-53.76
C[NH+](C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024352869	0	42	0.0	-68.56	337.05	2.25	-66.31
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2NC(=O)NC2=O)C=C1	REAL300024352870	0	35	-1.0	-48.65	327.50	-2.96	-51.61
CC(C)CCO[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352871	0	42	-1.0	-44.49	352.93	2.31	-42.18
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(NC2CCCC2)=C1	REAL300024352872	0	41	-1.0	-44.48	348.10	2.41	-42.07
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)N2C=C(Cl)C=CC2=N1	REAL300024352873	0	32	-1.0	-45.77	309.13	3.10	-42.67
CC1=CC2=CC=NC(NC(=O)CSC3=NNC(=O)[N-]3)=C2C=C1	REAL300024352874	0	34	-1.0	-48.96	308.43	3.43	-45.53
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)CC1=CC=CC=C1O	REAL300024352875	0	34	-1.0	-46.03	321.21	-2.50	-48.53
CC(C)(C)OC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024352876	0	48	-1.0	-46.10	388.25	6.09	-40.01
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2=C(Cl)SN=N2)=C1	REAL300024352877	0	31	-1.0	-50.19	320.43	1.25	-48.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(N2C=CN=N2)CC1	REAL300024352878	0	38	-1.0	-54.37	319.45	1.47	-52.90
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(CC(F)(F)F)C1	REAL300024352879	0	40	-1.0	-47.13	340.16	1.02	-46.11
NC1=NN=C(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024352880	0	36	-1.0	-48.22	317.88	-5.08	-53.30
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC2=CC(Cl)=CC=C2N1	REAL300024352881	0	35	-1.0	-45.65	336.49	0.99	-44.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC2=CC=C(Cl)C=C2N1	REAL300024352881	1	35	-1.0	-44.30	336.41	0.99	-43.31
CCOC(=O)C1=CNN=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352882	0	42	-1.0	-51.32	372.45	1.74	-49.58
CCOC(=O)C1=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)NN=C1	REAL300024352882	1	42	-1.0	-48.10	372.07	1.70	-46.40
O=C(CSC1=NNC(=O)[N-]1)NCC1=CSC(CC2=CC=C(Cl)C=C2)=N1	REAL300024352883	0	38	-1.0	-45.99	378.64	2.84	-43.15
NS(=O)(=O)C1=CC=CC=C1N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352884	0	43	-1.0	-50.26	377.30	-2.12	-52.38
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300024352885	0	41	0.0	-67.98	363.50	1.90	-66.08
CC1(C)CC2=NNC=C2CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352886	0	39	-1.0	-46.32	323.08	1.60	-44.72
CN1N=CC2=C1CC(C)(C)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024352887	0	42	-1.0	-49.66	343.98	2.74	-46.92
O=C(CSC1=NNC(=O)[N-]1)N(CCO)CCOCCO	REAL300024352888	0	37	-1.0	-45.85	325.98	-5.29	-51.14
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CN=C2N2C[C@H](O)C[C@H]2C1	REAL300024352889	0	42	-1.0	-47.36	348.73	-0.81	-48.17
CO[C@@H]1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC3=CC=CN=C3N2C1	REAL300024352890	0	45	-1.0	-49.30	370.16	1.70	-47.60
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1=CNC(=O)C=C1	REAL300024352891	0	30	-1.0	-48.76	291.37	-3.49	-52.25
CC1=C(Cl)C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2N=C1	REAL300024352892	0	34	-1.0	-44.34	320.98	2.30	-42.04
COC(=O)C1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024352893	0	34	-1.0	-48.33	324.60	-0.31	-48.64
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024352894	0	44	-1.0	-51.18	373.83	-2.71	-53.89
NS(=O)(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352895	0	36	-1.0	-50.93	324.49	-5.71	-56.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=C(F)C=N2)CC1	REAL300024352896	0	38	-1.0	-44.55	330.17	2.73	-41.82
CC1=NC(C2=CC=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=C2)=CS1	REAL300024352897	0	38	-1.0	-47.33	358.45	2.27	-45.06
CN1C=C(CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024352898	0	36	-1.0	-49.97	326.83	1.63	-48.34
COC1=CC=CC(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=NC=CN2C)=C1	REAL300024352899	0	43	-1.0	-48.59	380.61	2.16	-46.43
COC(=O)C1N(C(=O)CSC2=NNC(=O)[N-]2)CC12CCCC2	REAL300024352900	0	39	-1.0	-47.27	337.92	2.74	-44.53
N#CC1=CC=CC=C1NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352901	0	42	-1.0	-48.28	363.15	3.29	-44.99
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CN2C=CC=NC2=N1	REAL300024352902	0	34	-1.0	-59.31	317.18	2.67	-56.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2=C1C(=O)NC=C2	REAL300024352903	0	33	-1.0	-58.79	287.06	1.95	-56.84
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(N2CCOCC2)C=C1	REAL300024352904	0	45	-1.0	-45.42	373.53	2.15	-43.27
O=C(CSC1=NNC(=O)[N-]1)[N-]OCCN1CCCC1=O	REAL300024352905	0	33	-2.0	-97.88	308.88	-0.51	-98.39
CCCCOC(=O)CO[N-]C(=O)CSC1=NNC(=O)[N-]1	REAL300024352906	0	34	-2.0	-96.12	323.73	1.34	-94.78
N#CC1=CC=CC(NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024352907	0	36	-1.0	-51.24	336.51	1.73	-49.51
CN1C=C(C2N(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C=N1	REAL300024352908	0	39	-1.0	-51.71	337.52	1.86	-49.85
COC(=O)C1=C(C)C=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024352909	0	32	-1.0	-45.07	309.79	1.10	-43.97
CCOC(=O)C1=C(C)C=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024352910	0	35	-1.0	-45.08	331.65	2.03	-43.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH+]2CCOCC2)CC1	REAL300024352911	0	43	0.0	-70.54	337.74	1.50	-69.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC(N2CCOCC2)CC1	REAL300024352911	1	42	-1.0	-44.28	334.97	-0.75	-45.03
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(Br)=C1F	REAL300024352912	0	26	-1.0	-42.01	274.38	1.44	-40.57
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(CO)=CC(CO)=C1	REAL300024352913	0	34	-1.0	-50.15	313.76	-4.62	-54.77
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300024352914	0	40	-1.0	-48.96	359.12	4.01	-44.95
O=C(CSC1=NNC(=O)[N-]1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300024352915	0	33	-2.0	-93.28	316.46	-0.82	-94.10
O=C(CSC1=NNC(=O)[N-]1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300024352915	1	33	-2.0	-93.26	316.41	-0.84	-94.10
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300024352916	0	43	-1.0	-45.11	385.21	4.14	-40.97
O=C(CSC1=NNC(=O)[N-]1)[N-]OC1=CC=C(C(F)(F)F)C=C1	REAL300024352917	0	29	-2.0	-91.40	301.12	2.11	-89.29
C[NH+]1CCC2(CC1)CN(C(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C12	REAL300024352918	0	49	0.0	-65.70	379.60	5.73	-59.97
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300024352919	0	38	-1.0	-43.97	326.63	2.03	-41.94
N#CC1=CC=C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024352920	0	39	-1.0	-46.34	340.92	2.36	-43.98
COC1=CC(Br)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352921	0	30	-1.0	-42.68	297.97	0.77	-41.91
O=C(CSC1=NNC(=O)[N-]1)NC(C1CCC1)C1CCCO1	REAL300024352922	0	40	-1.0	-42.15	330.44	1.93	-40.22
O=C(CSC1=NNC(=O)[N-]1)N1CCNC(C2=CC=C(Cl)C=C2)C1	REAL300024352923	0	38	-1.0	-44.16	341.50	1.66	-42.50
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH2+]C(CC2=CC=C(F)C=C2)C1	REAL300024352924	0	42	0.0	-78.29	355.03	3.20	-75.09
O=C(CSC1=NNC(=O)[N-]1)N1CCNC(CC2=CC=C(F)C=C2)C1	REAL300024352924	1	41	-1.0	-44.20	351.98	1.97	-42.23
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC2=C1CCOC2	REAL300024352925	0	37	-1.0	-44.20	323.75	0.75	-43.45
CS(=O)(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352926	0	37	-1.0	-50.28	325.38	-3.04	-53.32
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC(C2CC2)=C1C1=CC=CC=C1	REAL300024352927	0	40	-1.0	-47.82	363.00	4.21	-43.61
CC(C)(C)OC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024352928	0	52	-1.0	-48.84	409.47	1.60	-47.24
COC(=O)C(C)(CC1=CC=C(Cl)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352929	0	41	-1.0	-49.47	373.73	3.26	-46.21
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C(=O)NCCO)CC1	REAL300024352930	0	40	-1.0	-51.68	342.13	-3.27	-54.95
CC1=C(F)C=C2NC=C(CCNC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024352931	0	39	-1.0	-48.12	353.99	2.37	-45.75
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352932	0	49	0.0	-64.06	393.07	2.83	-61.23
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352932	1	49	0.0	-64.32	394.07	2.96	-61.36
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2CCCCO2)CCC1	REAL300024352933	0	43	-1.0	-42.35	343.49	2.11	-40.24
O=C(CSC1=NNC(=O)[N-]1)N(C1=CC=CC=C1)C1CCC1	REAL300024352934	0	36	-1.0	-43.83	298.04	3.85	-39.98
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=NSN=C21	REAL300024352935	0	27	-1.0	-43.90	271.54	-0.93	-44.83
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CN=C1N1CCC(O)CC1	REAL300024352936	0	41	-1.0	-43.66	350.79	-1.60	-45.26
CC(C)(C)OC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1O	REAL300024352937	0	42	-1.0	-49.77	366.70	1.42	-48.35
COC(CNC(=O)CSC1=NNC(=O)[N-]1)(OC)C1=CC=CC=C1	REAL300024352938	0	40	-1.0	-43.45	342.51	0.75	-42.70
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C1CCC(=O)N1	REAL300024352939	0	37	-1.0	-48.00	325.58	0.50	-47.50
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CC1=CC=CC=C1[C@H](C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352999	0	38	-1.0	-44.42	316.55	3.92	-40.50
CC1=CC=CC=C1[C@@H](C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353000	0	38	-1.0	-45.54	320.34	4.28	-41.26
CC1=CC=C(CC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353001	0	45	-1.0	-46.03	365.04	6.18	-39.85
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O=C(CSC1=NNC(=O)[N-]1)N1CC[NH2+]C(C2=CC=C(O)C=C2)C1	REAL300024353003	1	40	0.0	-78.06	338.85	-0.44	-78.50
CC1=CC=CC(CC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353004	0	45	-1.0	-45.15	366.95	5.62	-39.53
COC1=CC=CC(CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[NH2+]2)=C1	REAL300024353005	0	46	0.0	-72.50	378.14	2.44	-70.06
COC1=CC=CC(CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2)=C1	REAL300024353005	1	45	-1.0	-44.50	375.11	1.21	-43.29
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O=C(CSC1=NNC(=O)[N-]1)NCC1(C(F)(F)F)CCCC1	REAL300024353008	0	35	-1.0	-42.62	309.33	1.75	-40.87
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O=C(CSC1=NNC(=O)[N-]1)NCC[C@@H](O)COCC1=CC=CC=C1	REAL300024353010	0	43	-1.0	-49.47	382.73	-0.61	-50.08
CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024353011	0	53	-1.0	-47.59	418.94	3.13	-44.46
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COC1=CC=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C=C1	REAL300024353013	0	41	-1.0	-44.98	352.43	1.74	-43.24
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300024353014	0	41	-1.0	-44.07	346.16	4.40	-39.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC2=CC=C(Cl)C=C21	REAL300024353015	0	36	-1.0	-47.25	324.05	3.07	-44.18
CC1COCCN1C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024353016	0	42	-1.0	-43.28	370.56	1.05	-42.23
CCCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024353017	0	39	-1.0	-44.40	341.06	2.50	-41.90
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COC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300024353020	0	32	-1.0	-47.95	302.24	-0.03	-47.98
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CC1=NN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)C(C)=C1	REAL300024353025	0	39	-1.0	-50.60	346.99	2.93	-47.67
NC(=O)CN1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353026	0	38	-1.0	-50.97	326.28	-4.92	-55.89
NC(=O)C[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353026	1	39	0.0	-71.96	328.56	-2.74	-74.70
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CN1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC2=CC=CC=C21	REAL300024353028	0	38	-1.0	-44.76	326.18	0.73	-44.03
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CC1=CC=C2SC(CNC(=O)CSC3=NNC(=O)[N-]3)=NC2=C1	REAL300024353031	0	34	-1.0	-45.68	326.97	0.95	-44.73
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O=C(CSC1=NNC(=O)[N-]1)NC1=CN=CC(C2=CNC3=NC=CC3=C2)=C1	REAL300024353033	0	38	-1.0	-51.96	350.81	2.01	-49.95
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=CC(C2=CN=C3NC=CC3=C2)=C1	REAL300024353033	1	38	-1.0	-50.87	343.84	1.67	-49.20
CC12CN(C(=O)CSC3=NNC(=O)[N-]3)CC1(C)C[NH+](CC1=CC=CC=C1)C2	REAL300024353034	0	52	0.0	-76.50	412.05	6.08	-70.42
O=C(CSC1=NNC(=O)[N-]1)NCC1=CSC(C2CC2)=N1	REAL300024353035	0	32	-1.0	-44.86	310.40	0.05	-44.81
O=C(CSC1=NNC(=O)[N-]1)N1CC(CC2=CC=CC(Br)=C2)C1	REAL300024353036	0	36	-1.0	-46.57	345.32	4.48	-42.09
CC1CC[N@H+](CC2=CC=CC=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353037	0	48	0.0	-63.38	382.32	4.42	-58.96
CC1CC[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353037	1	48	0.0	-65.57	386.48	5.27	-60.30
CC1CCN(CC2=CC=CC=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353037	1	47	-1.0	-45.04	389.03	2.51	-42.53
COCCOC1=CC(C(=O)OC)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353038	0	43	-1.0	-46.08	385.96	1.00	-45.08
NC(=O)C(F)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353039	0	36	-1.0	-51.20	310.21	-1.56	-52.76
COC1=CC=CC(CN2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024353040	0	45	-1.0	-44.39	373.58	1.36	-43.03
COCC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1OC	REAL300024353041	0	37	-1.0	-45.78	329.84	-0.03	-45.81
CCCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024353042	0	36	-1.0	-43.79	326.94	1.83	-41.96
CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353043	0	39	-1.0	-48.37	323.15	0.99	-47.38
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300024353044	0	30	-2.0	-87.36	288.94	-0.30	-87.66
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300024353044	1	30	-2.0	-87.35	288.99	-0.30	-87.65
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2NC=CC(=O)C2=C1	REAL300024353045	0	32	-1.0	-65.93	299.17	0.57	-65.36
CC1=CC=CC=C1C(=O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353046	0	34	-1.0	-44.57	309.44	1.42	-43.15
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300024353047	0	30	-2.0	-82.23	309.22	0.29	-81.94
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300024353047	1	30	-2.0	-82.17	309.26	0.30	-81.87
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=CC=CC(F)=C1F	REAL300024353048	0	31	-1.0	-50.30	304.40	0.89	-49.41
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=CC(Cl)=CC=C1F	REAL300024353049	0	31	-1.0	-45.97	314.83	1.35	-44.62
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=CC=C(Br)C(F)=C1	REAL300024353050	0	31	-1.0	-44.17	320.52	1.41	-42.76
CN(CC(O)CN(C)C(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353051	0	49	-1.0	-52.32	404.96	0.91	-51.41
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CCC2=CC=NC=C2)CC1	REAL300024353052	0	43	-1.0	-45.57	362.17	1.33	-44.24
CCCCNC(=O)CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353053	0	47	-1.0	-48.03	388.23	-0.52	-48.55
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CS(=O)(=O)C[C@H]1O	REAL300024353054	0	30	-1.0	-53.80	289.14	-7.41	-61.21
CC1=CC=C(C)C(C(=O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353055	0	37	-1.0	-44.27	330.86	2.10	-42.17
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(F)=C(Cl)C([N+](=O)[O-])=C1	REAL300024353056	0	31	-1.0	-46.58	320.48	1.95	-44.63
CCOC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C(O)C1=CC=NC=C1	REAL300024353057	0	41	-1.0	-48.75	360.75	-1.42	-50.17
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=CN=CS2)CC1	REAL300024353058	0	37	-1.0	-44.99	330.14	-0.54	-45.53
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2CCCS2(=O)=O)CC1	REAL300024353059	0	44	-1.0	-52.37	369.11	-1.36	-53.73
NS(=O)(=O)CC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353060	0	37	-1.0	-46.68	317.95	-3.30	-49.98
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=CC=CC(F)=C1Cl	REAL300024353150	0	31	-1.0	-48.26	311.95	1.31	-46.95
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=CC=C(Cl)C=C1F	REAL300024353151	0	31	-1.0	-46.45	314.81	1.35	-45.10
COC1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024353152	0	35	-1.0	-47.64	322.49	-1.69	-49.33
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2CCOCC2)=C1	REAL300024353153	0	40	-1.0	-44.68	340.40	2.13	-42.55
CC(C)(C)OC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353154	0	50	-1.0	-48.08	398.76	2.40	-45.68
CC(C)(C)OC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024353155	0	50	-1.0	-48.97	401.20	-0.89	-49.86
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300024353156	0	36	-1.0	-46.62	322.37	3.94	-42.68
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2=C1NC1=CC=C(Cl)C=C12	REAL300024353157	0	40	-1.0	-43.17	362.66	3.32	-39.85
O=C(CSC1=NNC(=O)[N-]1)NCC1=C(C(F)(F)F)SC=C1	REAL300024353158	0	29	-1.0	-44.73	298.46	1.44	-43.29
C[NH+](C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300024353159	0	44	0.0	-64.30	384.90	3.99	-60.31
COCCOCC(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353160	0	34	-1.0	-49.80	319.57	-3.12	-52.92
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC(Br)=C(Cl)C=C21	REAL300024353161	0	30	-1.0	-44.17	304.52	3.81	-40.36
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(N2CCCCC2=O)C1	REAL300024353162	0	43	-1.0	-46.56	345.10	2.48	-44.08
CC1=CC(Cl)=CC=C1C1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353163	0	40	-1.0	-43.53	360.80	5.63	-37.90
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)OC(C)(C)C	REAL300024353164	0	49	-1.0	-46.51	390.06	1.86	-44.65
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+]1C1CCCC1	REAL300024353165	0	42	0.0	-67.11	345.16	2.10	-65.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+]1C1CCCC1	REAL300024353165	1	42	0.0	-67.19	341.80	1.99	-65.20
COC(=O)C(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL300024353166	0	40	-1.0	-48.66	364.71	2.96	-45.70
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(O)C=CC=C2C1	REAL300024353167	0	34	-1.0	-44.42	299.98	0.40	-44.02
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=CC=C1OCC1=CC=CC=C1	REAL300024353168	0	46	-1.0	-46.84	405.53	4.96	-41.88
O=C(CSC1=NNC(=O)[N-]1)NC1C2CC3=C(Br)C=CC=C3C21	REAL300024353169	0	34	-1.0	-42.96	324.16	3.62	-39.34
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=N[N-]N=N1	REAL300024353170	0	31	-2.0	-97.71	282.95	-3.75	-101.46
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=NN=N[N-]1	REAL300024353170	1	31	-2.0	-97.73	283.02	-3.75	-101.48
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=NC=CS2)CC1	REAL300024353171	0	38	-1.0	-44.74	334.55	2.37	-42.37
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)OC(C)(C)C	REAL300024353172	0	49	-1.0	-48.44	400.30	1.10	-47.34
CC(C)(C)OC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353173	0	45	-1.0	-44.23	359.87	2.04	-42.19
CCC(CC1=CN(C)C2=CC=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353174	0	45	-1.0	-47.68	379.07	5.02	-42.66
CC1CC(CC(F)(F)F)C(C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353175	0	38	-1.0	-44.18	330.20	3.21	-40.97
CCOC(=O)C1=C(C)SC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353176	0	34	-1.0	-50.88	329.66	1.53	-49.35
CCOC(=O)C1=C(C)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353176	1	33	-2.0	-92.36	326.36	0.42	-91.94
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300024353177	0	33	-1.0	-44.66	306.12	-1.54	-46.20
COC(=O)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024353178	0	44	-1.0	-46.14	362.83	2.65	-43.49
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300024353179	0	36	-1.0	-44.47	322.52	4.00	-40.47
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=CC=CC(Br)=C21	REAL300024353180	0	32	-1.0	-46.05	308.37	4.36	-41.69
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353181	0	43	-1.0	-46.95	363.47	3.60	-43.35
CC(C)(C)OC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353182	0	49	-1.0	-48.13	417.50	-1.53	-49.66
COC1=CC(CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024353183	0	35	-1.0	-47.65	322.54	-1.67	-49.32
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C2=CC=C(Cl)C=C2F)C1	REAL300024353184	0	38	-1.0	-44.94	351.71	1.36	-43.58
O=C(CSC1=NNC(=O)[N-]1)NC1=NN(C2CCSCC2)C=C1	REAL300024353185	0	37	-1.0	-44.95	332.69	2.43	-42.52
CCC1([NH+]2CCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353186	0	48	0.0	-65.09	346.19	3.42	-61.67
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024353187	0	44	-1.0	-46.92	368.56	2.39	-44.53
CC1(C)CC[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353188	0	39	-1.0	-46.39	317.86	-0.80	-47.19
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353189	0	52	-1.0	-48.30	421.69	1.07	-47.23
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)OC(C)(C)C)C1	REAL300024353190	0	46	-1.0	-49.53	389.82	0.99	-48.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCCN(C)C1=O	REAL300024353191	0	39	-1.0	-50.03	304.92	2.23	-47.80
COC(=O)C1=C(C)C=C(CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024353192	0	35	-1.0	-45.79	329.46	0.36	-45.43
CC(C)(C)OC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300024353193	0	55	-1.0	-48.50	423.51	3.37	-45.13
CC1=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C2=CC(F)=CC=C2N1	REAL300024353194	0	39	-1.0	-48.57	354.15	2.27	-46.30
C[NH+](C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300024353195	0	41	0.0	-66.83	377.72	3.95	-62.88
CN(C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300024353195	1	40	-1.0	-42.92	378.44	1.69	-41.23
CC1=CC=CC(C(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C)=C1	REAL300024353196	0	41	-1.0	-43.19	344.64	3.53	-39.66
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN(C(F)F)C2=CC=CC=C12	REAL300024353197	0	36	-1.0	-46.34	337.73	2.61	-43.73
COC1=CC=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2)C=C1	REAL300024353198	0	42	-1.0	-44.85	356.35	0.61	-44.24
COC1=CC=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[NH2+]2)C=C1	REAL300024353198	1	43	0.0	-77.33	357.33	1.70	-75.63
NC(=O)C1=CC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024353199	0	34	-1.0	-49.29	316.51	-2.54	-51.83
CSCCC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353200	0	36	-1.0	-44.04	331.28	3.63	-40.41
CC1CC(NC(=O)OC(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353201	0	46	-1.0	-48.51	381.33	0.76	-47.75
CC1C2CCC(CC1NC(=O)CSC1=NNC(=O)[N-]1)N2C(=O)OC(C)(C)C	REAL300024353202	0	53	-1.0	-45.38	417.63	2.84	-42.54
CC(C)(C)OC(=O)NCC12CCC(CC1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024353203	0	50	-1.0	-49.70	401.16	3.09	-46.61
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C(O)C1=CC=CC=C1	REAL300024353204	0	40	-1.0	-48.04	332.60	1.82	-46.22
COC1=CC(C)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024353205	0	36	-1.0	-44.46	315.19	1.62	-42.84
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(Cl)C=C21	REAL300024353206	0	36	-1.0	-41.92	325.65	4.32	-37.60
CN(C)C(=O)NCCC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353207	0	44	-1.0	-52.36	383.18	1.42	-50.94
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=C2NC=CC2=CC=C1	REAL300024353208	0	33	-1.0	-46.39	302.44	2.55	-43.84
CCOCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024353209	0	37	-1.0	-44.41	319.57	-0.43	-44.84
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300024353210	0	44	-1.0	-49.33	358.38	4.39	-44.94
COC1=CC=CC=C1[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353211	0	46	-1.0	-44.49	370.41	4.29	-40.20
CN1C(=O)OC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C21	REAL300024353212	0	35	-1.0	-49.20	328.11	0.81	-48.39
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)N1CCCC1	REAL300024353213	0	42	-1.0	-51.78	341.86	0.33	-51.45
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C(F)(F)C(F)(F)F)S1	REAL300024353214	0	26	-2.0	-84.04	299.43	-0.93	-84.97
COCCN(CC1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353215	0	48	0.0	-62.36	380.10	3.09	-59.27
O=C(CSC1=NNC(=O)[N-]1)NC1=C2C=C(Br)N=CC2=NN1	REAL300024353216	0	28	-1.0	-43.11	290.55	-0.64	-43.75
CCCSC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353217	0	35	-1.0	-47.94	330.59	3.23	-44.71
O=C(CSC1=NNC(=O)[N-]1)NCC1=NN=C(C2CCOCC2)N1	REAL300024353218	0	39	-1.0	-47.81	343.07	-1.16	-48.97
O=C(CSC1=NNC(=O)[N-]1)NCC1=NNC(C2CCOCC2)=N1	REAL300024353218	1	39	-1.0	-46.07	343.54	-1.59	-47.66
COC(=O)CC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353219	0	38	-1.0	-46.85	316.67	3.07	-43.78
C[NH+]1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024353220	0	45	0.0	-72.49	339.79	3.36	-69.13
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CC1([NH+]2CCOCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353223	0	46	0.0	-68.34	343.23	1.41	-66.93
CC1(N2CCOCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353223	1	45	-1.0	-43.99	341.71	-0.72	-44.71
CC(=O)NCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353224	0	43	-1.0	-55.61	361.35	-0.62	-56.23
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024353225	0	32	-1.0	-52.16	294.28	-2.68	-54.84
CC1(C)C(C2=CC=CC(F)=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353226	0	42	-1.0	-48.58	349.94	4.84	-43.74
CN(CCOCCNC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353227	0	49	-1.0	-47.52	411.80	-0.01	-47.53
COC(=O)CCNC(=O)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353228	0	38	-1.0	-58.67	350.60	-2.26	-60.93
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CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353231	0	42	0.0	-69.87	342.39	-1.08	-70.95
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353231	1	42	0.0	-69.37	340.66	-1.13	-70.50
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1C1=CC=CO1	REAL300024353232	0	36	-1.0	-45.96	320.65	2.48	-43.48
CC1(C2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)OCCO1	REAL300024353233	0	41	-1.0	-44.88	361.55	1.22	-43.66
COC(=O)CC1CS(=O)(=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353234	0	38	-1.0	-52.30	335.60	-1.01	-53.31
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CC1(C)C(C2=CC=C(F)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353237	0	42	-1.0	-46.41	349.89	4.84	-41.57
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CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024353239	0	44	-1.0	-44.12	344.75	4.28	-39.84
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CC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C(C)N1C1=CC(C)=CC=C1	REAL300024353241	0	46	-1.0	-45.02	402.06	5.50	-39.52
CC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C(C)N1C1=CC=CC=C1	REAL300024353242	0	43	-1.0	-45.13	381.65	4.87	-40.26
CCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024353243	0	38	-1.0	-42.93	323.43	3.03	-39.90
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O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=NC3=CC=CC=C3N2)C=C1	REAL300024353245	0	39	-1.0	-48.21	353.49	3.29	-44.92
CN(C)C1=CC=C(S(C)(=O)=NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353246	0	39	-1.0	-57.43	349.62	0.05	-57.38
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O=C(CSC1=NNC(=O)[N-]1)NN=C1NC2=CC=NC=C2S1	REAL300024353248	0	29	-1.0	-47.17	294.21	-0.61	-47.78
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COCC1(C(=O)OC(C)(C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353249	0	48	-1.0	-50.10	397.12	3.15	-46.95
CC1(C)CCC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2O1	REAL300024353250	0	40	-1.0	-45.07	336.78	2.70	-42.37
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COC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C12	REAL300024353252	0	38	-1.0	-45.94	341.13	3.67	-42.27
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353253	0	48	0.0	-70.98	396.27	4.39	-66.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353253	1	48	0.0	-70.78	391.61	4.25	-66.53
COC(=O)C1(C)CC(OC)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353254	0	39	-1.0	-45.70	335.67	1.41	-44.29
CC12CN(C(=O)CSC3=NNC(=O)[N-]3)CC1(C)C(=O)NC2=O	REAL300024353255	0	36	-1.0	-52.08	316.00	-2.16	-54.24
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O=C(CSC1=NNC(=O)[N-]1)NNC1=NC2=CC=CC=C2N1	REAL300024353257	0	31	-1.0	-45.74	293.80	1.63	-44.11
N#CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)NN=C1N1CCOCC1	REAL300024353258	0	37	-1.0	-42.35	334.45	-1.60	-43.95
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O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(NC=N2)C1C1=CC=CC=C1	REAL300024353259	1	40	-1.0	-47.10	343.31	4.08	-43.02
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=NC=C1Br	REAL300024353260	0	28	-1.0	-44.03	287.56	-0.36	-44.39
COC1=CC=C(C(=O)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1[N+](=O)[O-]	REAL300024353261	0	37	-1.0	-53.35	348.77	1.50	-51.85
N#CC1=C(C2CC2)NN=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353262	0	31	-1.0	-47.41	302.13	0.94	-46.47
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(C2=CC=CC(Br)=C2)C1	REAL300024353263	0	34	-1.0	-47.46	327.62	0.40	-47.06
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(C2=CC=CC=C2)C1	REAL300024353264	0	34	-1.0	-46.01	304.77	0.50	-45.51
O=C(CSC1=NNC(=O)[N-]1)NCC1(CC2=CC=CC=C2)C=CCCC1	REAL300024353265	0	46	-1.0	-43.76	376.68	5.06	-38.70
CC(C)OC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Br	REAL300024353266	0	36	-1.0	-43.60	337.74	2.25	-41.35
CN1CCN(C2=CC=[NH+]C(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024353267	0	43	0.0	-62.13	354.85	-1.04	-63.17
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300024353268	0	43	-1.0	-44.37	360.36	6.69	-37.68
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CC(C)[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024353270	0	42	-1.0	-44.93	349.73	3.70	-41.23
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O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCO[C@H]1C1=CNC(=O)C=C1	REAL300024353272	0	37	-1.0	-52.51	333.09	-2.00	-54.51
CC1=CC(Br)=CC=C1C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353273	0	39	-1.0	-45.75	351.33	5.43	-40.32
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=C(Br)C=C21	REAL300024353274	0	30	-1.0	-45.43	289.68	3.36	-42.07
CC1CC(C2=CC=C(Br)C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353275	0	39	-1.0	-44.35	353.03	5.01	-39.34
CC(C)(C)OC(=O)C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353276	0	40	-1.0	-41.94	335.66	1.29	-40.65
CC(C)(C)OC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353277	0	52	-1.0	-44.68	400.83	2.48	-42.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300024353278	0	36	-1.0	-44.35	329.09	4.17	-40.18
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](OC2=CC=CC=C2)C1	REAL300024353279	0	38	-1.0	-46.21	335.81	-0.72	-46.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1	REAL300024353280	0	51	0.0	-69.97	394.08	5.09	-64.88
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300024353280	1	51	0.0	-69.83	392.74	5.05	-64.78
O=C(CSC1=NNC(=O)[N-]1)NC(CC1=CC=CC=C1)C1=NNC(=O)[N-]1	REAL300024353281	0	38	-2.0	-94.52	354.65	-1.49	-96.01
O=C(CSC1=NNC(=O)[N-]1)NC(CO)C(O)C1=CC=CN=C1	REAL300024353282	0	36	-1.0	-47.42	319.30	-3.67	-51.09
O=C(CSC1=NNC(=O)[N-]1)NC(CO)C(O)C1=CC=CC=N1	REAL300024353283	0	36	-1.0	-46.21	322.81	-3.79	-50.00
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=CN=CC(Br)=C1	REAL300024353284	0	30	-1.0	-44.67	309.88	-0.42	-45.09
CCOC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C(O)C1=CC=CN=C1	REAL300024353285	0	41	-1.0	-48.35	362.42	-1.34	-49.69
N#CC1(C2=CC=CC=N2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353286	0	39	-1.0	-50.72	339.97	2.98	-47.74
CC1=CC(C)=NC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024353287	0	37	-1.0	-47.02	334.75	1.68	-45.34
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2=NC=C(C3CC3)C=N2)C1	REAL300024353288	0	38	-1.0	-45.97	340.86	2.54	-43.43
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC2=NC=CC=C2C=C1	REAL300024353289	0	34	-1.0	-47.47	315.06	1.21	-46.26
CN1N=CC(Br)=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353290	0	29	-1.0	-43.80	295.87	-1.00	-44.80
NC(=O)CC1=CC=CC2=C1CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353291	0	40	-1.0	-52.97	344.93	0.49	-52.48
CC(=O)NC1=CC=CC2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024353292	0	40	-1.0	-49.16	342.99	2.19	-46.97
COC1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(CO)C1	REAL300024353293	0	37	-1.0	-45.69	312.62	-1.12	-46.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC2=CC(Cl)=CC=C21	REAL300024353294	0	33	-1.0	-44.91	313.63	2.61	-42.30
CC(C)(C)N1CCC1C(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353295	0	41	-1.0	-42.34	325.38	-3.51	-45.85
CC(C)(C)[N@@H+]1CCC1C(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353295	1	42	0.0	-64.43	348.43	-0.27	-64.70
CC(C)(C)[N@H+]1CCC1C(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353295	1	42	0.0	-65.01	332.76	-0.85	-65.86
COC(=O)C(CC1CCCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353296	0	42	-1.0	-49.20	356.36	1.41	-47.79
N#CC1=CC=C(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)C=C1	REAL300024353297	0	41	-1.0	-46.55	352.62	2.37	-44.18
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)S2=O	REAL300024353298	0	35	-1.0	-58.94	289.64	0.20	-58.74
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(Br)C=C21	REAL300024353299	0	36	-1.0	-41.87	330.21	4.43	-37.44
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCC2=CC=C(Cl)C=C21	REAL300024353300	0	36	-1.0	-47.27	324.05	3.07	-44.20
CC1=CC(Br)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=C1	REAL300024353301	0	36	-1.0	-43.89	330.19	4.34	-39.55
COCC1=NC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=N1	REAL300024353302	0	38	-1.0	-47.19	335.60	0.09	-47.10
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300024353303	0	43	0.0	-77.40	370.42	4.62	-72.78
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CN(CC3=CC=CC=C3)C2)C1	REAL300024353303	1	42	-1.0	-45.78	364.33	1.32	-44.46
CC1(C)[C@H]2[C@H](CCCN2C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1O	REAL300024353304	0	40	-1.0	-44.38	313.13	-0.08	-44.46
CC(C)(C)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024353305	0	41	-1.0	-51.43	354.32	0.15	-51.28
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC2=CC(Cl)=CC=C2O1	REAL300024353306	0	37	-1.0	-43.40	346.07	-0.40	-43.80
CC1(C)CCCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353307	0	45	-1.0	-43.22	338.49	0.09	-43.13
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=NC(N2C=NC=N2)=C1	REAL300024353308	0	34	-1.0	-48.62	324.35	2.70	-45.92
COC1=CC=C(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353309	0	36	-1.0	-47.23	320.32	2.29	-44.94
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353310	0	46	-1.0	-44.64	396.67	6.47	-38.17
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC=CN=C2Cl)CC1	REAL300024353311	0	39	-1.0	-50.33	354.17	1.38	-48.95
CCC(F)(F)C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353312	0	37	-1.0	-46.23	315.07	1.34	-44.89
COCC1(NC(=O)CSC2=NNC(=O)[N-]2)COC2=CC=CC=C2C1	REAL300024353313	0	41	-1.0	-44.10	350.34	0.71	-43.39
C[C@]1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@]1(C)CO	REAL300024353314	0	40	-1.0	-48.25	326.11	-4.38	-52.63
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=CC=CC(Cl)=C1Cl	REAL300024353315	0	31	-1.0	-47.33	321.26	1.71	-45.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=NC(C3CCC3)=NO2)CC1	REAL300024353316	0	47	-1.0	-47.20	390.89	3.06	-44.14
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300024353317	0	39	-1.0	-44.59	328.67	4.28	-40.31
CC1=CC=C(C2=CC=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024353318	0	36	-1.0	-44.00	337.74	4.62	-39.38
COC(=O)[C@@]1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300024353319	0	38	-1.0	-48.83	324.38	1.78	-47.05
C[NH+](C)C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C[NH+](C)C	REAL300024353320	0	50	1.0	-129.29	389.07	3.99	-125.30
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CN1CCCC1=O	REAL300024353321	0	43	-1.0	-50.47	348.58	2.69	-47.78
O=C(CSC1=NNC(=O)[N-]1)NCC(N1C=NC=N1)C(F)(F)F	REAL300024353322	0	31	-1.0	-45.83	301.01	1.17	-44.66
C[NH+]1CCC(N2C=C(NC(=O)CSC3=NNC(=O)[N-]3)C=N2)CC1	REAL300024353323	0	42	0.0	-80.25	350.59	1.55	-78.70
CC1=CC=C(CCCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300024353324	0	41	-1.0	-44.16	353.69	3.54	-40.62
CCOCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC2=CC=CC=C21	REAL300024353325	0	46	-1.0	-46.61	375.16	5.63	-40.98
CCC1(C(F)(F)F)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024353326	0	36	-1.0	-42.40	310.96	1.22	-41.18
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300024353327	0	40	-1.0	-45.27	340.07	4.94	-40.33
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300024353328	0	37	-1.0	-45.00	328.61	1.24	-43.76
O=C(CSC1=NNC(=O)[N-]1)NC1=NC(C2CCCCCC2)=CS1	REAL300024353329	0	41	-1.0	-41.64	346.28	3.00	-38.64
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300024353329	1	40	-2.0	-89.70	344.42	1.93	-87.77
CC(C)(C1=CSC(NC(=O)CSC2=NNC(=O)[N-]2)=N1)C1=CC=CC=C1	REAL300024353330	0	41	-1.0	-42.90	365.84	4.18	-38.72
CC(C)(C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1)C1=CC=CC=C1	REAL300024353330	1	40	-2.0	-90.65	362.52	3.06	-87.59
COC(=O)[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024353331	0	37	-1.0	-42.64	313.58	0.77	-41.87
C=C(Cl)CC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OCC	REAL300024353332	0	35	-1.0	-43.41	332.88	1.37	-42.04
COC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC3=CC=CN=C3N2C1	REAL300024353333	0	45	-1.0	-47.18	370.69	1.57	-45.61
CC(CO)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL300024353334	0	38	-1.0	-49.45	339.18	-0.42	-49.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCO)(CCO)CC1	REAL300024353335	0	43	-1.0	-46.08	337.83	-3.80	-49.88
CC1=NC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(N)=O	REAL300024353336	0	32	-1.0	-45.22	294.21	-3.60	-48.82
C=C(C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC	REAL300024353337	0	35	-1.0	-46.81	322.79	1.00	-45.81
COC(=O)C12CCC(CC1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024353338	0	36	-1.0	-48.02	310.53	3.11	-44.91
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(NC(=O)OC(C)(C)C)=C1	REAL300024353339	0	46	-1.0	-46.39	391.42	1.66	-44.73
C=CCCCCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353340	0	47	-1.0	-43.13	398.83	4.62	-38.51
CCCN(CC1=CC=C(OC)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353341	0	42	-1.0	-45.66	362.10	3.96	-41.70
CN1C(=O)C2=CC=CC=C2C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353342	0	37	-1.0	-51.34	331.20	1.12	-50.22
N#CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C1CC1	REAL300024353343	0	36	-1.0	-44.16	311.27	-0.01	-44.17
CC(C)(C)C1CC2=CC=CC=C2N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353344	0	45	-1.0	-43.87	353.94	5.46	-38.41
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300024353345	0	37	-1.0	-44.22	345.23	1.76	-42.46
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300024353346	0	37	-1.0	-46.63	351.29	1.81	-44.82
O=C(CSC1=NNC(=O)[N-]1)NC1=NC(C2CCCCC2)=CS1	REAL300024353347	0	38	-1.0	-41.62	335.16	2.63	-38.99
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2CCCCC2)=CS1	REAL300024353347	1	37	-2.0	-89.50	331.86	1.51	-87.99
O=C(CSC1=NNC(=O)[N-]1)NC(CCO)C1=CC=C(Cl)C(F)=C1	REAL300024353348	0	36	-1.0	-44.45	339.29	-0.47	-44.92
CNS(=O)(=O)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353349	0	33	-1.0	-52.01	313.63	-5.18	-57.19
COC1=CC=CC=C1C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024353350	0	41	-1.0	-46.30	350.66	1.86	-44.44
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=CC=C(O)C=C2)CC1	REAL300024353351	0	42	-1.0	-45.26	355.82	-0.62	-45.88
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300024353352	0	38	-1.0	-44.68	329.90	2.03	-42.65
CC(C)(C)OC(=O)N1CC(C)(C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353353	0	55	-1.0	-49.40	428.13	3.05	-46.35
COC(=O)C1=CC2=C(C=C1NC(=O)CSC1=NNC(=O)[N-]1)OCCCO2	REAL300024353354	0	41	-1.0	-46.75	360.02	1.66	-45.09
CC1=CC=C2SC(NC(=O)CSC3=NNC(=O)[N-]3)=NC2=C1C	REAL300024353355	0	34	-1.0	-44.79	317.49	2.53	-42.26
CC1=CC=C2SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=NC2=C1C	REAL300024353355	1	33	-2.0	-93.70	314.20	1.43	-92.27
CC(C)C(C)(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353356	0	44	-1.0	-43.42	347.15	3.78	-39.64
CC1CC(N2N=NC3=C2CN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300024353357	0	42	-1.0	-47.59	355.51	2.36	-45.23
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=NC(C3CC3)=NC=C2C1	REAL300024353358	0	38	-1.0	-45.98	332.47	2.80	-43.18
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300024353359	0	42	-1.0	-46.07	356.14	2.19	-43.88
O=C(CSC1=NNC(=O)[N-]1)NC(CO)C1=CC=CC(C(F)(F)F)=C1	REAL300024353360	0	36	-1.0	-44.25	338.97	-0.49	-44.74
CC(C1CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024353361	0	39	-1.0	-43.74	335.30	5.13	-38.61
COC1=CC=CC(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024353362	0	46	-1.0	-46.07	379.34	4.55	-41.52
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CC3=CC(Br)=CC=C3[C@@H]12	REAL300024353363	0	34	-1.0	-44.66	328.97	3.42	-41.24
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=C(F)C=C1)C1CCCCC1	REAL300024353364	0	45	-1.0	-43.22	370.41	4.68	-38.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024353365	0	32	-1.0	-47.98	291.48	-2.16	-50.14
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C(=O)C(F)(F)F)C=C1	REAL300024353366	0	31	-1.0	-43.88	307.34	1.49	-42.39
CNC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353367	0	41	-1.0	-49.71	337.99	-0.37	-50.08
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(F)=C(Br)C=C1F	REAL300024353368	0	29	-1.0	-42.91	306.61	1.54	-41.37
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC(C)=CC=C1C	REAL300024353369	0	41	-1.0	-42.90	341.12	3.46	-39.44
COC1=CC=CC2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353370	0	34	-1.0	-46.00	306.21	1.70	-44.30
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCO1	REAL300024353371	0	42	-1.0	-44.35	337.34	0.98	-43.37
O=C(CSC1=NNC(=O)[N-]1)N(CC1CC1)C1=CC=CC(F)=C1	REAL300024353372	0	36	-1.0	-43.01	329.56	5.03	-37.98
CCOC1=CC=C(N(CC2CC2)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353373	0	43	-1.0	-44.19	372.27	5.11	-39.08
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C(O)C(F)(F)F)C=C1	REAL300024353374	0	33	-1.0	-45.97	315.92	-0.58	-46.55
O=C(CSC1=NNC(=O)[N-]1)NC(CCC1=CC=CC=C1)C1=CC=CC=N1	REAL300024353375	0	44	-1.0	-45.20	390.95	4.57	-40.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OC2=CC=C(C3CC3)C=N2)C1	REAL300024353376	0	43	-1.0	-46.82	373.58	2.47	-44.35
O=C(CSC1=NNC(=O)[N-]1)NCC1(CO)COCCN1	REAL300024353377	0	36	-1.0	-44.85	306.67	-7.19	-52.04
O=C(CSC1=NNC(=O)[N-]1)NCC1(CO)COCC[NH2+]1	REAL300024353377	1	37	0.0	-74.57	307.32	-5.94	-80.51
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024353378	0	32	-1.0	-47.99	291.47	-2.17	-50.16
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353379	0	47	-1.0	-44.40	390.58	4.71	-39.69
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)CS(N)(=O)=O	REAL300024353380	0	36	-1.0	-51.04	317.18	-4.76	-55.80
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(O)(C(F)(F)F)C1	REAL300024353381	0	33	-1.0	-43.90	297.94	-1.26	-45.16
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(OC(F)F)C=C1F	REAL300024353382	0	33	-1.0	-46.13	318.76	0.44	-45.69
CC(C)(C)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024353383	0	38	-1.0	-43.44	337.51	1.74	-41.70
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(CN2CCNC2=O)C=C1	REAL300024353384	0	42	-1.0	-52.27	375.40	0.20	-52.07
CC1(C2=CC=C(C(F)(F)F)C=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353385	0	42	-1.0	-45.97	365.88	5.83	-40.14
O=C(CSC1=NNC(=O)[N-]1)NCCSCCC(F)(F)F	REAL300024353386	0	32	-1.0	-44.90	319.87	1.13	-43.77
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(Cl)=CC(Cl)=C1F	REAL300024353387	0	29	-1.0	-43.14	312.53	1.87	-41.27
CC1(CC2=CC=C(F)C(Cl)=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353388	0	42	-1.0	-44.31	365.97	6.03	-38.28
CC1(CC2=CC=C(Cl)C(F)=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353389	0	42	-1.0	-44.00	365.98	6.04	-37.96
O=C(CSC1=NNC(=O)[N-]1)N1CCCC12CC1=CC=CC=C1C2	REAL300024353390	0	40	-1.0	-46.71	332.45	4.84	-41.87
O=C(CSC1=NNC(=O)[N-]1)NCC1=C(Cl)C=CC=C1OC(F)F	REAL300024353391	0	33	-1.0	-45.58	325.91	0.88	-44.70
CCN(CC)S(=O)(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353392	0	45	-1.0	-47.20	381.06	-0.41	-47.61
CC(C)C1N(C(=O)CSC2=NNC(=O)[N-]2)CC12CCCCCC2	REAL300024353393	0	48	-1.0	-44.59	364.79	4.80	-39.79
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCCCCC2)C1C1=CC=CC=C1	REAL300024353394	0	49	-1.0	-45.94	381.76	6.30	-39.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OC2=CC=CC(F)=C2)C1	REAL300024353395	0	37	-1.0	-46.31	331.78	2.78	-43.53
O=C(CSC1=NNC(=O)[N-]1)NCC1CCS(=O)(=O)C2=CC=CC=C21	REAL300024353396	0	39	-1.0	-54.41	347.17	-0.69	-55.10
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](C(F)(F)F)C1	REAL300024353397	0	32	-1.0	-43.39	289.12	1.93	-41.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OCC2CCCO2)CC1	REAL300024353398	0	44	-1.0	-47.34	363.01	1.46	-45.88
CC(C)(O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353399	0	39	-1.0	-44.91	314.22	-0.32	-45.23
CN1C(=O)[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1=O	REAL300024353400	0	33	-1.0	-46.82	300.03	-0.66	-47.48
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353401	0	46	-1.0	-47.45	388.29	-0.33	-47.78
CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353402	0	46	-1.0	-47.59	388.11	-0.28	-47.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300024353403	0	42	-1.0	-43.53	363.70	5.66	-37.87
O=C(CSC1=NNC(=O)[N-]1)N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300024353404	0	30	-1.0	-43.38	301.08	2.53	-40.85
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)OC(C)(C)C	REAL300024353405	0	45	-1.0	-49.03	381.80	-0.52	-49.55
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300024353406	0	44	-1.0	-47.03	372.03	2.14	-44.89
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=C(F)C=C2)CC1	REAL300024353407	0	39	-1.0	-45.04	335.52	4.57	-40.47
CC(=O)N1CCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300024353408	0	38	-1.0	-52.24	320.62	-1.01	-53.25
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(=O)C2=CC=CC=C2O1	REAL300024353409	0	36	-1.0	-46.82	329.42	0.75	-46.07
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300024353410	0	42	-1.0	-43.53	363.70	5.66	-37.87
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353411	0	35	-1.0	-44.29	319.22	3.95	-40.34
CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353412	0	41	-1.0	-45.00	350.62	1.95	-43.05
CC(C)(C)OC(=O)CN1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353413	0	49	-1.0	-47.52	398.98	1.02	-46.50
O=C(CSC1=NNC(=O)[N-]1)NCC12COCCN1C(=O)COC2	REAL300024353414	0	39	-1.0	-49.65	328.61	-3.06	-52.71
CC1=CC=CC(CN2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024353415	0	48	-1.0	-44.21	402.75	0.58	-43.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CSCC2C1	REAL300024353416	0	34	-1.0	-44.16	295.98	2.42	-41.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=CC=C(Cl)C=C2)CC1	REAL300024353417	0	42	-1.0	-44.43	366.55	5.76	-38.67
COC1=CC=CC=C1[C@H](C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353418	0	39	-1.0	-47.05	333.65	2.67	-44.38
COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353419	0	36	-1.0	-45.50	323.10	1.15	-44.35
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300024353420	0	48	0.0	-67.15	384.71	4.84	-62.31
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300024353420	1	48	0.0	-65.60	375.54	4.17	-61.43
CN1C=NC(C2=NN=C3CN(C(=O)CSC4=NNC(=O)[N-]4)CCN32)=C1	REAL300024353421	0	39	-1.0	-52.68	347.13	3.93	-48.75
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300024353422	0	52	-1.0	-48.67	416.15	2.71	-45.96
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353423	0	36	-1.0	-51.26	319.43	-0.61	-51.87
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC(Cl)=C2)CCC1	REAL300024353424	0	39	-1.0	-44.33	351.54	3.71	-40.62
CC1=CC=C(CN2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024353425	0	48	-1.0	-44.17	402.75	0.59	-43.58
O=C(CSC1=NNC(=O)[N-]1)NCC1=C2CCCCN2C(C(F)(F)F)=N1	REAL300024353426	0	39	-1.0	-46.75	355.38	1.78	-44.97
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)CN1CCCC1=O	REAL300024353427	0	34	-1.0	-52.10	316.40	-2.04	-54.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC12CCOCC2	REAL300024353428	0	40	-1.0	-44.59	330.51	0.26	-44.33
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(CO1)CCOCC2	REAL300024353429	0	41	-1.0	-44.93	339.64	-1.37	-46.30
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300024353430	0	48	0.0	-67.71	380.60	4.17	-63.54
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300024353430	1	48	0.0	-67.20	384.64	4.85	-62.35
N#CC1=CC(F)=CC=C1N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353431	0	39	-1.0	-46.01	345.08	2.41	-43.60
CCCOC1=CC=CC=C1C(=O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353432	0	41	-1.0	-47.73	364.22	2.99	-44.74
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300024353433	0	52	-1.0	-47.30	410.96	2.44	-44.86
CC1(C)C(C2=CC=CC=C2F)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353434	0	42	-1.0	-43.90	348.41	4.79	-39.11
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300024353435	0	36	-1.0	-44.76	319.60	1.86	-42.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+]1C1CCCCCC1	REAL300024353436	0	48	0.0	-67.86	370.98	2.96	-64.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+]1C1CCCCCC1	REAL300024353436	1	48	0.0	-67.40	364.76	2.56	-64.84
CN1CC2=CC=CC=C2C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353437	0	38	-1.0	-44.30	333.57	0.06	-44.24
CN1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024353438	0	47	0.0	-68.69	362.92	1.35	-67.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300024353439	0	41	-1.0	-51.94	371.74	-0.28	-52.22
CN1C=C(C(F)F)C(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353440	0	32	-1.0	-51.18	309.80	-0.58	-51.76
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300024353441	0	37	-1.0	-47.88	329.82	2.54	-45.34
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(Br)C=N1	REAL300024353442	0	28	-1.0	-43.89	290.24	-0.40	-44.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)OCC2=CC=CC=C2)CC1	REAL300024353443	0	47	-1.0	-47.03	404.22	2.79	-44.24
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H]1C1CCOCC1	REAL300024353444	0	40	-1.0	-44.30	340.20	0.90	-43.40
CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1[N+](=O)[O-]	REAL300024353445	0	34	-1.0	-47.87	320.83	2.15	-45.72
CN1C=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CN=C21	REAL300024353446	0	38	-1.0	-50.12	344.78	2.57	-47.55
CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353447	0	44	-1.0	-44.39	361.38	3.70	-40.69
CC1=CC=CC=C1CN1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353448	0	48	-1.0	-44.18	400.49	1.10	-43.08
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353448	1	49	0.0	-71.40	391.73	2.56	-68.84
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353448	1	49	0.0	-71.62	400.71	3.04	-68.58
O=C(CSC1=NNC(=O)[N-]1)NC(C1CCC1)C1CCOC1	REAL300024353449	0	40	-1.0	-45.52	330.21	1.22	-44.30
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC2=CC=C(F)C=C21	REAL300024353450	0	31	-1.0	-45.04	303.80	0.28	-44.76
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC=N2)CCC1	REAL300024353451	0	35	-1.0	-47.43	311.83	1.22	-46.21
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(OC2CCC2)CC1	REAL300024353452	0	43	-1.0	-45.99	348.36	3.43	-42.56
CCOC(=O)C1=NOC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353453	0	34	-1.0	-46.02	327.90	-0.07	-46.09
CON(C(=O)CSC1=NNC(=O)[N-]1)C(C)C(=O)OC(C)(C)C	REAL300024353454	0	41	-1.0	-48.05	349.12	3.04	-45.01
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=NN1C1=CC=C(F)C=C1	REAL300024353455	0	33	-1.0	-43.46	309.85	3.07	-40.39
C[NH+](C)C1(C)CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353456	0	44	0.0	-67.86	330.28	1.95	-65.91
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353457	0	42	-1.0	-44.65	356.09	5.59	-39.06
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(F)(C2=CC=CC=C2)C1	REAL300024353458	0	39	-1.0	-48.03	332.98	4.45	-43.58
COC(=O)C1=NOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024353459	0	37	-1.0	-48.88	337.82	0.34	-48.54
NC(=O)C(C1CC1)N(CC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353460	0	40	-1.0	-43.90	339.23	0.26	-43.64
CN(C)S(=O)(=O)C1=CC=C2C(=C1)CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024353461	0	41	-1.0	-49.80	368.68	0.92	-48.88
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=NN1C1CC1	REAL300024353462	0	34	-1.0	-46.01	314.71	-0.87	-46.88
CC1=CC=C(OC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)C(C)=C1	REAL300024353463	0	43	-1.0	-49.01	378.15	4.95	-44.06
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](S(=O)(=O)C2=CC=CC=C2)C1	REAL300024353464	0	39	-1.0	-50.68	360.06	0.05	-50.63
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCCCCC1	REAL300024353465	0	42	-1.0	-43.26	319.41	-0.26	-43.52
O=C(CSC1=NNC(=O)[N-]1)NCC12COC(=O)N1CCOC2	REAL300024353466	0	36	-1.0	-51.42	310.88	-2.02	-53.44
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CN=C2N2CCC[C@@H]2C1	REAL300024353467	0	41	-1.0	-47.29	337.84	2.52	-44.77
CC(C)COC(=O)[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353468	0	37	-1.0	-42.77	331.54	1.16	-41.61
CC1(C(F)(F)F)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024353469	0	33	-1.0	-42.62	296.39	0.48	-42.14
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300024353470	0	41	-1.0	-50.33	376.75	-0.53	-50.86
CC(C)(C)OC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)CC1	REAL300024353471	0	52	-1.0	-50.80	394.46	3.61	-47.19
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC(=O)N2CC2=CC=CC=C2)C1	REAL300024353472	0	41	-1.0	-51.39	370.86	2.83	-48.56
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=C(F)C(F)=C1F	REAL300024353473	0	26	-1.0	-40.23	271.83	1.03	-39.20
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(Cl)=CC=C1F	REAL300024353474	0	28	-1.0	-43.10	286.97	0.95	-42.15
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(F)C(C(F)F)=C1	REAL300024353475	0	29	-1.0	-43.53	284.52	1.63	-41.90
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(OC)=C1OC	REAL300024353476	0	43	-1.0	-46.33	363.31	1.60	-44.73
COC1=CC=CC(OC(F)(F)F)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353477	0	34	-1.0	-47.33	327.41	0.02	-47.31
COC(=O)CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024353478	0	38	-1.0	-44.27	320.68	0.94	-43.33
C[NH+](C)CC1=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2N=C1	REAL300024353479	0	42	0.0	-69.67	351.73	2.04	-67.63
CN(C)CC1=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2N=C1	REAL300024353479	1	41	-1.0	-44.93	349.32	-0.41	-45.34
CC(C)(C)OC(=O)NC1=CC=CC(OC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353480	0	42	-1.0	-48.15	369.30	3.28	-44.87
CC1=NOC(C2CN(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CCO2)=N1	REAL300024353481	0	44	-1.0	-48.46	384.14	-2.73	-51.19
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(F)C(C(=O)C2=CC=CC=C2)=C1	REAL300024353482	0	38	-1.0	-53.01	356.90	4.22	-48.79
CCOC(=O)C1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024353483	0	39	-1.0	-45.54	335.69	1.52	-44.02
COC1=CC=CC2=C1OCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353484	0	38	-1.0	-49.65	334.52	0.80	-48.85
CC(C)(C)OC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024353485	0	47	-1.0	-46.77	385.69	-1.74	-48.51
CSCC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(N)=O	REAL300024353486	0	33	-1.0	-50.04	315.02	-2.93	-52.97
CC[C@H](CO)N(CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353487	0	42	-1.0	-45.02	351.66	2.26	-42.76
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353488	0	33	-1.0	-50.39	302.26	-2.18	-52.57
NS(=O)(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024353489	0	28	-1.0	-51.98	294.23	-5.35	-57.33
O=C(CSC1=NNC(=O)[N-]1)NCCC(O)C1CCCC1	REAL300024353490	0	39	-1.0	-45.11	327.41	-0.96	-46.07
COC1=CC=CC=C1[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353491	0	36	-1.0	-45.78	318.72	1.08	-44.70
COC1=CC=CC=C1[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353492	0	36	-1.0	-45.81	318.76	1.09	-44.72
NC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CCS(=O)(=O)CC1	REAL300024353493	0	36	-1.0	-57.68	319.37	-6.14	-63.82
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353494	0	48	-1.0	-51.00	407.84	3.97	-47.03
COC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C#N	REAL300024353495	0	31	-1.0	-51.30	297.87	0.45	-50.85
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2CCCO2)S1	REAL300024353496	0	31	-2.0	-97.04	305.10	-2.01	-99.05
CC1=CN=CC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353497	0	38	-1.0	-47.88	331.86	3.20	-44.68
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC2=C(CCCC2)NC1=O	REAL300024353498	0	39	-1.0	-51.32	340.44	0.17	-51.15
CCC(F)(F)C1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353499	0	35	-1.0	-45.63	313.65	3.15	-42.48
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=NC=CN=C12	REAL300024353500	0	30	-1.0	-46.52	283.35	-0.68	-47.20
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2NC(=O)CSC2=C1	REAL300024353501	0	32	-1.0	-48.77	307.95	-0.25	-49.02
CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(=O)C1=CC=CC=C1	REAL300024353502	0	41	-1.0	-53.38	368.36	4.67	-48.71
CC(C)(C)OC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024353503	0	50	-1.0	-44.65	393.98	3.07	-41.58
COCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(Br)=C1	REAL300024353504	0	36	-1.0	-42.88	343.81	1.52	-41.36
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CN=C2N2CCC[C@H]2C1	REAL300024353505	0	41	-1.0	-47.23	337.83	2.55	-44.68
N#CC1=CC=C(CN2C=C(NC(=O)CSC3=NNC(=O)[N-]3)C=N2)C=C1	REAL300024353506	0	37	-1.0	-52.80	352.39	2.74	-50.06
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C2=CC=NC=N2)C1	REAL300024353507	0	33	-1.0	-44.74	303.24	-1.34	-46.08
CC1=CC=C2N=C(C3=CC=CC(NC(=O)CSC4=NNC(=O)[N-]4)=C3)N=C2N1	REAL300024353508	0	41	-1.0	-67.46	370.56	3.12	-64.34
CNC(=O)CN(CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353509	0	39	-1.0	-52.18	351.32	1.86	-50.32
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1OC	REAL300024353510	0	39	-1.0	-46.39	341.68	2.41	-43.98
O=C(CSC1=NNC(=O)[N-]1)NC(C1=NC2=CC=CC=C2N1)C1CCCCC1	REAL300024353511	0	48	-1.0	-44.58	394.73	2.92	-41.66
CC(C)(C)OC(=O)NC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353512	0	43	-1.0	-47.31	370.21	0.97	-46.34
CC1CCCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024353513	0	42	-1.0	-43.85	338.95	3.74	-40.11
CC(C)(C)OC(=O)NCC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353514	0	53	-1.0	-52.10	421.16	2.91	-49.19
CC1=CC=C(C[N@@H+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024353515	0	45	0.0	-71.52	376.89	3.99	-67.53
CC1=CC=C(C[N@H+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024353515	1	45	0.0	-71.76	376.64	3.98	-67.78
CC1=CC=C(CN2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024353515	1	44	-1.0	-43.65	371.50	1.32	-42.33
CCC(C)OC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353516	0	38	-1.0	-47.99	338.14	1.83	-46.16
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCS(=O)(=O)CC1	REAL300024353517	0	35	-1.0	-51.24	302.12	-2.45	-53.69
CC(C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353518	0	45	-1.0	-53.02	360.92	3.10	-49.92
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353519	0	46	0.0	-69.39	371.96	2.36	-67.03
CN(CCN1CC2(C1)CCOCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353519	1	45	-1.0	-43.95	368.15	-0.84	-44.79
CCC(O)(CC)C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353520	0	41	-1.0	-42.74	310.14	-1.63	-44.37
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=NN1CC1CCC1	REAL300024353521	0	36	-1.0	-44.25	316.38	2.36	-41.89
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=CC(OC(F)F)=C1	REAL300024353522	0	30	-1.0	-47.20	293.79	0.37	-46.83
CCCNC(=O)CC1=CSC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353523	0	38	-1.0	-50.65	355.66	-0.47	-51.12
CCCNC(=O)CC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353523	1	37	-2.0	-101.09	352.37	-1.59	-102.68
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=CC(C(F)F)=C1	REAL300024353524	0	28	-1.0	-44.79	275.34	-0.20	-44.99
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](C(=O)OCC2=CC=CC=C2)C1	REAL300024353525	0	42	-1.0	-46.62	377.36	3.94	-42.68
CC1=CC=CC2=C1OCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353526	0	37	-1.0	-43.38	323.77	1.79	-41.59
COC1=CC=CC2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353527	0	34	-1.0	-46.00	306.21	1.70	-44.30
CN(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024353528	0	34	-1.0	-47.10	309.24	0.28	-46.82
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353529	0	35	-2.0	-83.22	327.54	-2.05	-85.27
CC1(NC(=O)C(F)(F)F)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353529	1	36	-1.0	-49.54	330.46	-0.60	-50.14
CC(=O)N1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024353530	0	45	-1.0	-49.47	376.30	0.86	-48.61
CC(F)(F)C1=C(F)C=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353531	0	32	-1.0	-42.87	297.30	2.45	-40.42
CC(C)(C)OC(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353532	0	53	-1.0	-47.15	410.23	3.98	-43.17
CC1=CC=CC(OC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)=C1	REAL300024353533	0	40	-1.0	-48.98	357.91	4.24	-44.74
CN1CCN2N=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C1	REAL300024353534	0	35	-1.0	-46.04	307.36	-1.45	-47.49
COCC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1OC	REAL300024353535	0	37	-1.0	-44.72	329.86	-0.02	-44.74
CC(C)(C)C1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353536	0	38	-1.0	-42.83	313.02	3.65	-39.18
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=N[N-]N=N2)CC1	REAL300024353537	0	33	-2.0	-86.39	297.50	-0.94	-87.33
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NN=N[N-]2)CC1	REAL300024353537	1	33	-2.0	-86.37	297.56	-0.92	-87.29
O=C(CSC1=NNC(=O)[N-]1)NC1=NC2=NC=C(Cl)C=C2C=C1	REAL300024353538	0	30	-1.0	-56.97	302.04	2.13	-54.84
COC(CNC(=O)CSC1=NNC(=O)[N-]1)(OC)C1=CC=CC=N1	REAL300024353539	0	39	-1.0	-46.26	337.84	-0.38	-46.64
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1C1=CN=CN=C1C2	REAL300024353540	0	35	-1.0	-46.16	306.20	2.21	-43.95
CCOC(=O)C(CC=C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353541	0	41	-1.0	-46.98	362.50	2.59	-44.39
CS(=O)(=O)NCC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353542	0	37	-1.0	-50.94	345.27	-2.26	-53.20
CC1=C(Cl)C=CC2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024353543	0	36	-1.0	-43.84	322.17	4.12	-39.72
CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353544	0	44	-1.0	-48.20	352.52	4.50	-43.70
CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353545	0	44	-1.0	-48.24	352.52	4.49	-43.75
CC1=CC=CC2=C1NC(=NNC(=O)CSC1=NNC(=O)[N-]1)S2	REAL300024353546	0	33	-1.0	-47.68	318.76	1.86	-45.82
CC1=NN(C)C2=NC(Cl)=CC(NNC(=O)CSC3=NNC(=O)[N-]3)=C12	REAL300024353547	0	36	-1.0	-45.11	342.16	0.55	-44.56
CC1=CC=CC(CC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353548	0	41	-1.0	-46.32	346.21	5.15	-41.17
N#CC1=CC=C2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024353549	0	34	-1.0	-45.97	317.87	2.51	-43.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)C2CCCCC21	REAL300024353550	0	40	-1.0	-43.97	316.09	0.14	-43.83
CC(C)(C)OC(=O)CN1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024353551	0	51	-1.0	-57.57	411.98	3.74	-53.83
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=CC=N1	REAL300024353552	0	34	-1.0	-49.32	322.53	-4.29	-53.61
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=NN=C2)CC1	REAL300024353553	0	36	-1.0	-47.89	310.28	-0.87	-48.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)C1=NC2=CC=CC=C2O1	REAL300024353554	0	37	-1.0	-49.71	336.65	-0.70	-50.41
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=CC=C(F)C2=CC=CC=C12	REAL300024353555	0	37	-1.0	-45.93	340.37	3.06	-42.87
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(=O)C2=CC=CC=C2N1	REAL300024353556	0	35	-1.0	-51.60	324.44	0.53	-51.07
CN1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)NC1=O	REAL300024353557	0	32	-1.0	-54.18	302.62	-3.12	-57.30
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(CN=S2(=O)CCCC2)=C1	REAL300024353558	0	43	-1.0	-53.96	383.24	0.25	-53.71
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C(O)C(F)(F)F	REAL300024353559	0	32	-1.0	-43.46	283.92	-2.50	-45.96
O=C(CSC1=NNC(=O)[N-]1)NCCC1=NC=CN1C(F)F	REAL300024353560	0	32	-1.0	-50.87	305.49	0.02	-50.85
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2=NC=C(Br)C=N2)C1	REAL300024353561	0	31	-1.0	-45.00	312.71	1.15	-43.85
C[NH+](C)CC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353562	0	39	0.0	-67.52	322.37	-0.78	-68.30
COC(=O)C(CCC1OCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353563	0	40	-1.0	-49.32	358.23	-0.51	-49.83
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=CC2=CC=CC=C2S1	REAL300024353564	0	34	-1.0	-45.39	331.40	2.29	-43.10
COC1CC(C2=NC=CN2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353565	0	37	-1.0	-48.04	329.21	-0.61	-48.65
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(C(F)(F)F)=NN1	REAL300024353566	0	29	-1.0	-44.46	295.01	-1.83	-46.29
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=C3NC=CC3=CC=C2)CC1	REAL300024353567	0	45	-1.0	-44.90	370.46	2.44	-42.46
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CC2=C3NC=CC3=CC=C2)CC1	REAL300024353567	1	46	0.0	-73.05	372.44	4.67	-68.38
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC2=CN=CC=C2O1	REAL300024353568	0	31	-1.0	-45.49	296.56	-0.37	-45.86
COC(=O)C(CC1OCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353569	0	37	-1.0	-47.84	334.44	-0.79	-48.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC1[NH+]1CCC(O)CC1	REAL300024353570	0	46	0.0	-67.41	358.08	0.77	-66.64
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1C2CC3CC(C2)CC1C3	REAL300024353571	0	45	-1.0	-43.62	352.58	2.80	-40.82
CCC(O)CN1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024353572	0	38	-1.0	-52.32	345.23	-3.57	-55.89
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=C(Cl)C=N2)CC1	REAL300024353573	0	38	-1.0	-44.14	340.51	3.15	-40.99
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC1)CC(O)CNC2=O	REAL300024353574	0	41	-1.0	-48.78	328.93	-3.53	-52.31
CCC1=NC=C2C(=N1)CC1CCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353575	0	41	-1.0	-46.39	349.20	2.83	-43.56
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC2=C(COCC2)C(=O)N1	REAL300024353576	0	36	-1.0	-47.71	324.68	-2.64	-50.35
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCO[C@H]1C1=CC=C(Cl)C=C1	REAL300024353577	0	40	-1.0	-45.86	363.33	2.58	-43.28
CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353578	0	44	-1.0	-44.37	361.37	3.70	-40.67
CCOC(=O)C=CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353579	0	39	-1.0	-46.79	356.01	3.55	-43.24
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353580	0	51	0.0	-66.94	402.51	6.52	-60.42
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353580	1	51	0.0	-61.52	382.88	5.99	-55.53
COC(=O)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C)=C1	REAL300024353581	0	41	-1.0	-49.54	369.00	3.65	-45.89
CO[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)N(C2=CC(C)=NC=N2)C1	REAL300024353582	0	46	-1.0	-49.49	391.13	-0.35	-49.84
CCOC(=O)CSC(CNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024353583	0	38	-1.0	-48.23	366.96	1.85	-46.38
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300024353584	0	33	-1.0	-44.03	301.41	1.86	-42.17
CC[NH+]1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2F)CC1	REAL300024353585	0	47	0.0	-73.35	387.81	2.80	-70.55
CCN1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2F)CC1	REAL300024353585	1	46	-1.0	-43.01	384.20	0.40	-42.61
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353586	0	50	0.0	-63.48	384.87	5.19	-58.29
O=C(CSC1=NNC(=O)[N-]1)[N-]OCCCC(F)(F)F	REAL300024353587	0	28	-2.0	-92.72	285.49	0.31	-92.41
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CCC2=CN=CC=N2)CC1	REAL300024353588	0	42	-1.0	-46.88	356.26	-0.54	-47.42
CNC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353589	0	39	-1.0	-54.26	330.59	-3.73	-57.99
COC1=CC=C(C2CC2)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353590	0	37	-1.0	-46.83	323.06	2.26	-44.57
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2=CC=CC(F)=C2C1	REAL300024353591	0	34	-1.0	-47.98	304.35	2.61	-45.37
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CC(CCO)C2	REAL300024353592	0	40	-1.0	-47.64	324.73	-0.01	-47.65
CN(C)C(=O)C1=CNN=C1C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353593	0	46	-1.0	-50.42	376.20	0.93	-49.49
CN(C)C(=O)C1=C(C2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)NN=C1	REAL300024353593	1	46	-1.0	-51.63	373.79	0.77	-50.86
CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1OCCCCCO	REAL300024353594	0	46	-1.0	-46.15	395.48	0.72	-45.43
O=C(CSC1=NNC(=O)[N-]1)NC(CC1=CC=CN=C1)C1CCCC1	REAL300024353595	0	44	-1.0	-49.07	371.89	3.63	-45.44
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2CC2)C=C1F	REAL300024353596	0	33	-1.0	-42.22	302.16	2.96	-39.26
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=C1OCCCO2	REAL300024353597	0	35	-1.0	-44.13	310.08	0.77	-43.36
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2=CC=CN=C2C1	REAL300024353598	0	33	-1.0	-46.11	294.00	0.36	-45.75
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2CCC2)CC1	REAL300024353599	0	42	-1.0	-43.66	333.54	4.56	-39.10
CC1(C)CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C2=CC=CC=C2)C1	REAL300024353600	0	48	-1.0	-44.09	386.97	4.98	-39.11
COC(=O)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024353601	0	39	-1.0	-47.31	342.81	4.02	-43.29
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2OCCNC(=O)C21	REAL300024353602	0	38	-1.0	-52.97	309.12	-0.95	-53.92
CN1N=CC(I)=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353603	0	29	-1.0	-43.40	302.03	-0.54	-43.94
N#CC1=CC=CC(C(NC(=O)CSC2=NNC(=O)[N-]2)C(F)(F)F)=C1	REAL300024353604	0	33	-1.0	-47.39	326.82	2.40	-44.99
O=C(CSC1=NNC(=O)[N-]1)NN1C(=O)C2C3C=CC(O3)C2C1=O	REAL300024353605	0	33	-1.0	-50.76	305.29	-2.08	-52.84
O=C(CSC1=NNC(=O)[N-]1)NC1C2CC3=CC=C(Br)C=C3C21	REAL300024353606	0	34	-1.0	-44.08	324.76	3.66	-40.42
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(S(C)(=O)=O)=C1	REAL300024353607	0	35	-1.0	-52.05	330.24	-1.09	-53.14
COC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC2=CC=CC=C21	REAL300024353608	0	38	-1.0	-49.03	343.98	3.52	-45.51
COC(=O)C1=CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=NO1	REAL300024353609	0	41	-1.0	-46.63	362.78	2.65	-43.98
COC(=O)C1=C(C)SC(C)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353610	0	35	-1.0	-51.03	341.71	2.05	-48.98
COC1=CC=CC=C1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353611	0	46	-1.0	-45.39	373.14	4.92	-40.47
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC2=CC=CN=C21	REAL300024353612	0	37	-1.0	-44.19	315.94	1.43	-42.76
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C(F)(F)F)C1	REAL300024353613	0	33	-1.0	-48.50	322.62	-1.20	-49.70
O=C(CSC1=NNC(=O)[N-]1)N1CC(C[N-]C(=O)C(F)(F)F)C1	REAL300024353613	1	32	-2.0	-79.55	319.65	-2.79	-82.34
NS(=O)(=O)C1=CC=CC2=C1CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353614	0	38	-1.0	-52.10	336.62	-1.81	-53.91
N#CC1=CC=CC(C(O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353615	0	34	-1.0	-48.36	323.74	-1.07	-49.43
COCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCOCC1	REAL300024353616	0	40	-1.0	-43.06	322.31	0.19	-42.87
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCCCO2)CCC1	REAL300024353617	0	40	-1.0	-46.57	328.14	2.33	-44.24
O=C(CSC1=NNC(=O)[N-]1)NCC1=C2C=CNC2=CC=C1	REAL300024353618	0	33	-1.0	-45.89	305.12	0.87	-45.02
CC(C)(C)OC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353619	0	50	-1.0	-45.51	400.68	2.28	-43.23
CC(C)(C)OC(=O)NCC1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353620	0	53	-1.0	-48.34	411.29	2.63	-45.71
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC2=CC(F)=CC=C21	REAL300024353621	0	31	-1.0	-44.87	303.71	0.28	-44.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC2=CN=CC=C2O1	REAL300024353622	0	34	-1.0	-44.69	316.55	0.44	-44.25
COC1=CC=C(C2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353623	0	41	-1.0	-45.28	342.94	1.26	-44.02
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300024353624	0	37	-1.0	-49.61	332.98	1.19	-48.42
CN1CCN2N=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=C2C1	REAL300024353625	0	38	-1.0	-45.49	329.05	-2.67	-48.16
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353626	0	49	-1.0	-50.69	390.79	1.50	-49.19
O=C(CSC1=NNC(=O)[N-]1)NC1COC2=CC=CC(Br)=C2C1	REAL300024353627	0	34	-1.0	-44.79	323.73	1.35	-43.44
CC1=NC(C2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024353628	0	41	-1.0	-50.34	346.09	0.94	-49.40
CCOC1CC1C(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353629	0	34	-1.0	-43.88	317.45	-2.02	-45.90
COC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(=O)C1=CC=CC=C1	REAL300024353630	0	42	-1.0	-48.36	371.03	4.52	-43.84
CC(C)(C)OC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353631	0	47	-1.0	-52.80	384.51	-0.56	-53.36
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CNC2=C(F)C=C(Cl)C=C12	REAL300024353632	0	36	-1.0	-47.63	350.59	2.25	-45.38
CC1(C2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353633	0	42	-1.0	-46.07	335.72	3.74	-42.33
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300024353634	0	45	0.0	-68.44	367.78	4.50	-63.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)CC2(CCOCC2)C1	REAL300024353635	0	41	-1.0	-43.99	325.40	-1.74	-45.73
CS(=O)(=O)SCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353636	0	29	-1.0	-58.10	293.89	-3.12	-61.22
C#CCNS(=O)(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353637	0	38	-1.0	-49.84	346.39	-2.67	-52.51
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC=C1	REAL300024353638	0	37	-1.0	-44.50	324.45	1.98	-42.52
O=C(CNC(=O)CSC1=NNC(=O)[N-]1)CC1CCCCC1	REAL300024353639	0	40	-1.0	-44.52	336.79	1.92	-42.60
COC1=CC=CC(C(=O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353640	0	35	-1.0	-47.23	323.01	0.04	-47.19
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=CN=CC=N2)CC1	REAL300024353641	0	39	-1.0	-46.02	335.15	-1.51	-47.53
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=CC=NO2)CC1	REAL300024353642	0	37	-1.0	-45.84	320.45	-0.15	-45.99
O=C(CSC1=NNC(=O)[N-]1)NCCCC1=NOC(C(F)(F)F)=N1	REAL300024353643	0	33	-1.0	-44.65	328.15	-1.77	-46.42
CCN1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)NC1=O	REAL300024353644	0	35	-1.0	-53.81	324.42	-2.18	-55.99
CC(C)N1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)NC1=O	REAL300024353645	0	38	-1.0	-53.47	338.04	-1.71	-55.18
COCCN1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)NC1=O	REAL300024353646	0	39	-1.0	-56.88	355.71	-2.56	-59.44
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN(CCO)C(=O)NC1=O	REAL300024353647	0	36	-1.0	-57.60	333.46	-4.92	-62.52
CN1N=CC=C1C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353648	0	34	-1.0	-48.65	308.42	-2.55	-51.20
CC1=CNC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)=N1	REAL300024353649	0	36	-1.0	-50.83	319.73	-0.16	-50.99
COC(=O)[C@]1(NC(=O)CSC2=NNC(=O)[N-]2)C[C@@H](O)C1	REAL300024353650	0	33	-1.0	-45.92	298.85	-2.42	-48.34
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CCCCC2)C(F)=C1	REAL300024353651	0	41	-1.0	-46.72	351.33	2.34	-44.38
CCCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(C)C	REAL300024353652	0	45	-1.0	-43.95	379.32	3.77	-40.18
CC(C)C[C@@H](C(N)=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353653	0	38	-1.0	-47.66	321.08	-0.82	-48.48
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1CCOCC1	REAL300024353654	0	34	-1.0	-45.17	303.67	-2.57	-47.74
COC(=O)C1=C(CNC(=O)CSC2=NNC(=O)[N-]2)OC=N1	REAL300024353655	0	31	-1.0	-48.88	302.49	-3.86	-52.74
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@H](OC2=CN=CC=N2)CC1	REAL300024353656	0	41	-1.0	-47.46	357.07	-1.21	-48.67
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(CC(F)F)C1	REAL300024353657	0	37	-1.0	-45.78	324.88	-1.32	-47.10
CN1C=CN=C1C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353658	0	34	-1.0	-52.34	308.53	-1.34	-53.68
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=N1	REAL300024353659	0	39	-1.0	-46.77	344.47	1.76	-45.01
CN1N=NC=C1C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353660	0	33	-1.0	-50.14	306.57	-4.07	-54.21
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O=C(CSC1=NNC(=O)[N-]1)NCC1=NC2=C(F)C=CC=C2N1	REAL300024353662	0	32	-1.0	-49.88	306.77	-0.37	-50.25
CC1=NN(C2CCOCC2)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353663	0	40	-1.0	-45.63	343.47	-0.05	-45.68
CC(C)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1O	REAL300024353664	0	36	-1.0	-45.05	317.49	-0.10	-45.15
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=CC=C1C1=CC=C(F)C=C1	REAL300024353665	0	35	-1.0	-45.56	325.66	2.95	-42.61
CS(=O)(=O)[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353666	0	32	-1.0	-51.92	302.69	-3.18	-55.10
C[C@@H]1C[C@H](C2=CC=CC=C2)C(C)(C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353667	0	45	-1.0	-43.86	352.13	5.01	-38.85
O=C(CSC1=NNC(=O)[N-]1)NC1C2=CC=CC=C2CCC1F	REAL300024353668	0	36	-1.0	-45.46	312.79	2.84	-42.62
CN1C=C(C2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024353669	0	43	-1.0	-51.34	356.38	3.38	-47.96
O=C(CSC1=NNC(=O)[N-]1)NC1C2=CC=CC=C2CCC1F	REAL300024353670	0	36	-1.0	-45.46	312.79	2.84	-42.62
O=C(CSC1=NNC(=O)[N-]1)NC[C@H](O)C(=O)OCC1=CC=CC=C1	REAL300024353671	0	39	-1.0	-46.89	362.16	0.17	-46.72
CN1C(=O)COC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C21	REAL300024353672	0	35	-1.0	-46.72	310.73	0.52	-46.20
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2CCNC(=O)C21	REAL300024353673	0	37	-1.0	-53.40	302.74	0.76	-52.64
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC(Cl)=C1)C(F)F	REAL300024353674	0	32	-1.0	-45.04	316.49	2.40	-42.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCCCO2)CC1	REAL300024353675	0	40	-1.0	-42.81	317.22	1.82	-40.99
COC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300024353676	0	32	-1.0	-49.66	307.52	1.41	-48.25
C[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CCOCCO	REAL300024353677	0	42	0.0	-69.99	355.53	-3.19	-73.18
C[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CCOCCO	REAL300024353677	1	42	0.0	-70.45	355.55	-3.19	-73.64
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300024353678	0	37	-1.0	-44.67	314.14	4.24	-40.43
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCOC1	REAL300024353679	0	39	-1.0	-43.03	315.26	0.42	-42.61
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC1)COCCO2	REAL300024353680	0	38	-1.0	-43.95	310.74	0.09	-43.86
NS(=O)(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353681	0	31	-1.0	-50.55	301.76	-5.69	-56.24
O=C(CSC1=NNC(=O)[N-]1)NC(C1CCCCC1)C1CCCCC1	REAL300024353682	0	51	-1.0	-42.90	382.47	5.04	-37.86
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC=C2N2CCC[C@@H]2C1	REAL300024353683	0	42	-1.0	-45.80	339.86	3.10	-42.70
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC=C2N2CCC[C@H]2C1	REAL300024353684	0	42	-1.0	-45.77	340.05	3.05	-42.72
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300024353685	0	45	-1.0	-45.22	366.68	1.35	-43.87
CC1([NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353686	0	42	0.0	-66.80	321.85	2.56	-64.24
COC(=O)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353687	0	33	-1.0	-46.03	301.61	-2.07	-48.10
O=C(CSC1=NNC(=O)[N-]1)NCC(O)C(F)(F)C(F)(F)F	REAL300024353688	0	29	-1.0	-44.03	294.05	-3.10	-47.13
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C(F)C(F)(F)F)C=C1	REAL300024353689	0	32	-1.0	-44.16	312.04	2.52	-41.64
O=C(CSC1=NNC(=O)[N-]1)NC(CN1C=CN=C1)C1=CC=CC=C1	REAL300024353690	0	39	-1.0	-50.67	354.58	4.54	-46.13
COC1=CC=C(CN(CCO)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353691	0	40	-1.0	-45.84	349.87	-0.01	-45.85
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]1C1=CC=CC(F)=C1F	REAL300024353692	0	33	-1.0	-47.85	313.37	2.35	-45.50
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353693	0	39	-1.0	-52.36	354.89	4.24	-48.12
COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353694	0	46	-1.0	-50.78	396.90	4.08	-46.70
CC(C)(C)CCN(CCC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353695	0	50	-1.0	-44.72	410.23	7.12	-37.60
CN1C=CC(NC2=CC=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353696	0	38	-1.0	-47.92	337.96	2.04	-45.88
CN(CCCC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353697	0	47	0.0	-65.43	373.99	4.68	-60.75
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300024353698	0	51	0.0	-73.15	401.10	-0.54	-73.69
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300024353698	1	51	0.0	-73.08	401.11	-0.55	-73.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(CCN2CCOCC2)C1	REAL300024353698	1	50	-1.0	-45.04	397.60	-2.94	-47.98
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC(C2CCOCC2)C1	REAL300024353699	0	46	-1.0	-45.87	355.35	3.22	-42.65
O=C(CSC1=NNC(=O)[N-]1)NC(CC1=CC=CC=C1)C(O)C(F)(F)F	REAL300024353700	0	39	-1.0	-48.27	348.12	0.67	-47.60
O=C(CSC1=NNC(=O)[N-]1)NC1CC(=O)N(CC2CC2)C1	REAL300024353701	0	37	-1.0	-49.07	330.72	0.51	-48.56
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC(=O)N[C@H]1C1CC1	REAL300024353702	0	37	-1.0	-46.65	320.66	-0.64	-47.29
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCC1(F)F	REAL300024353703	0	35	-1.0	-47.05	308.10	1.26	-45.79
CC1(C)C(C2=CC=CC=C2Cl)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353704	0	42	-1.0	-43.59	357.05	5.18	-38.41
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(N2CCNC2=O)C=C1	REAL300024353705	0	39	-1.0	-52.37	346.45	-0.43	-52.80
COC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1C#N	REAL300024353706	0	34	-1.0	-48.76	323.66	0.56	-48.20
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C1=CC=CC=C1	REAL300024353707	0	39	-1.0	-44.97	324.80	1.99	-42.98
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=C(N2CC3CCC(C2)O3)N=C1	REAL300024353708	0	41	-1.0	-46.84	348.38	0.69	-46.15
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC12CCCCO2	REAL300024353709	0	40	-1.0	-44.63	321.82	0.94	-43.69
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC(Cl)=CC(Br)=C1	REAL300024353710	0	32	-1.0	-44.72	333.48	2.74	-41.98
COC1(C(F)(F)F)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353711	0	33	-1.0	-43.27	297.97	-0.16	-43.43
CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024353712	0	37	-1.0	-54.04	318.71	0.55	-53.49
COC(=O)C1=C(C)N(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353713	0	39	-1.0	-47.12	351.99	1.33	-45.79
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=NC=CC=N2)CCC1	REAL300024353714	0	34	-1.0	-48.34	307.35	-0.03	-48.37
O=C(CSC1=NNC(=O)[N-]1)N[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL300024353715	0	36	-1.0	-45.05	318.35	3.00	-42.05
COC(=O)C(C)(C)CN(CC(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353716	0	46	-1.0	-45.26	371.23	4.02	-41.24
N#CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C1CC1	REAL300024353717	0	34	-1.0	-49.02	315.86	3.06	-45.96
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)OCCC2=CC=CC=C21	REAL300024353718	0	40	-1.0	-44.85	337.74	1.58	-43.27
CC(C)(C)OCCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353719	0	50	-1.0	-43.88	396.11	1.09	-42.79
CC(C)(C)OCCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353719	1	51	0.0	-71.48	399.10	3.41	-68.07
CCSC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353720	0	36	-1.0	-43.58	335.63	2.72	-40.86
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NC=CS2)C1	REAL300024353721	0	32	-1.0	-45.66	303.00	1.05	-44.61
CCOC(=O)C1=C(C)N=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024353722	0	44	-1.0	-46.85	396.93	3.09	-43.76
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300024353723	0	48	0.0	-68.37	383.25	2.99	-65.38
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300024353723	1	48	0.0	-68.48	387.54	3.13	-65.35
NS(=O)(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353724	0	33	-1.0	-48.99	299.51	-5.10	-54.09
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC(F)=C(F)C=C2C1	REAL300024353725	0	33	-1.0	-44.89	303.09	3.31	-41.58
COC1=CC=C2NC3=C(CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2=C1	REAL300024353726	0	41	-1.0	-47.27	351.71	2.46	-44.81
CC1(C2=CC=CC=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353727	0	39	-1.0	-45.87	327.11	4.79	-41.08
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300024353728	0	38	-1.0	-43.15	338.97	3.14	-40.01
COC(=O)CCC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353729	0	38	-1.0	-47.38	346.50	2.97	-44.41
COC(=O)C(C)(CC1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353730	0	41	-1.0	-50.14	363.41	2.81	-47.33
O=C(CSC1=NNC(=O)[N-]1)NCC(O)C1=CC=CC(C(F)(F)F)=C1	REAL300024353731	0	36	-1.0	-46.07	342.13	-0.56	-46.63
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C1=CC=CC=C1	REAL300024353732	0	42	-1.0	-43.92	336.47	4.61	-39.31
CCC1=CC=C(CN2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024353733	0	47	-1.0	-43.13	387.69	3.68	-39.45
COC1=CC2=C(C=C1OC)C(NC(=O)CSC1=NNC(=O)[N-]1)CCCC2	REAL300024353734	0	47	-1.0	-48.38	379.99	3.30	-45.08
O=C(CSC1=NNC(=O)[N-]1)NCCC1=C(Br)C=CS1	REAL300024353735	0	29	-1.0	-44.38	305.13	1.25	-43.13
C[NH+]1CCN(C2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024353736	0	47	0.0	-71.93	386.06	1.94	-69.99
CN1CCN(C2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024353736	1	46	-1.0	-43.74	383.16	-0.44	-44.18
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300024353737	0	42	-1.0	-45.23	356.07	2.18	-43.05
COC1COCCC1N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353738	0	37	-1.0	-45.66	313.19	-0.98	-46.64
CC1(C)CCC(CNC(=O)CSC2=NNC(=O)[N-]2)OC1	REAL300024353739	0	39	-1.0	-43.42	326.00	0.04	-43.38
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353740	0	49	0.0	-70.11	365.19	0.36	-69.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H](CO)C1=CC=C(Br)C=C1	REAL300024353741	0	33	-1.0	-43.40	321.56	-0.87	-44.27
O=C(CSC1=NNC(=O)[N-]1)NCC(CO)CC1=COC=C1	REAL300024353742	0	36	-1.0	-46.06	321.21	-1.76	-47.82
O=C(CSC1=NNC(=O)[N-]1)NCCC1=C2CCCCN2N=C1	REAL300024353743	0	39	-1.0	-48.35	339.19	1.01	-47.34
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=NC(C2=CC=CC=N2)=N1	REAL300024353744	0	36	-1.0	-51.39	339.10	0.22	-51.17
CCC1(CCC2=CC=CC=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353745	0	48	-1.0	-47.29	384.12	7.66	-39.63
CC1(CC2CCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353746	0	45	-1.0	-44.76	347.22	4.53	-40.23
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CC[NH+](CC2=CC=CC=C2)CC1	REAL300024353747	0	52	0.0	-70.13	417.02	2.03	-68.10
CCC1([NH+]2CCCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353748	0	51	0.0	-64.42	366.57	4.53	-59.89
COC(=O)[C@@H]1CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353749	0	32	-1.0	-48.26	302.62	1.83	-46.43
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353750	0	32	-1.0	-49.91	296.04	1.77	-48.14
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300024353751	0	31	-1.0	-48.03	316.97	2.23	-45.80
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN(C2CC2)C(=O)NC1=O	REAL300024353752	0	36	-1.0	-51.85	330.47	-1.71	-53.56
CC1(CC2=CC(F)=C(F)C(F)=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353753	0	42	-1.0	-45.20	364.55	5.13	-40.07
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(O)=CC=C1Cl	REAL300024353754	0	30	-1.0	-44.86	299.35	-1.55	-46.41
O=C(CSC1=NNC(=O)[N-]1)N1CCCSCC1C1=CC=CC=C1	REAL300024353755	0	40	-1.0	-43.60	339.08	4.96	-38.64
O=C(CSC1=NNC(=O)[N-]1)N1CCN2C(CCC3=CC=CC=C3)=NN=C2C1	REAL300024353756	0	45	-1.0	-50.09	389.74	5.93	-44.16
COC(=O)C(CC1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353757	0	42	-1.0	-48.18	356.45	1.36	-46.82
COC(=O)[C@H](CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353758	0	37	-1.0	-42.86	316.67	0.66	-42.20
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1CCOCC1	REAL300024353759	0	39	-1.0	-47.72	336.75	-0.08	-47.80
CC(C)(C)NS(=O)(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353760	0	43	-1.0	-47.52	357.41	-2.25	-49.77
CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=N1	REAL300024353761	0	31	-1.0	-46.21	305.01	0.06	-46.15
C=CCCCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024353762	0	42	-1.0	-44.59	369.82	4.97	-39.62
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024353763	0	52	-1.0	-47.46	406.40	3.89	-43.57
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353764	0	49	-1.0	-50.73	390.62	1.51	-49.22
O=C(CSC1=NNC(=O)[N-]1)NCC1=NN=C2C(=O)NCCN12	REAL300024353765	0	33	-1.0	-55.73	308.73	-3.17	-58.90
CCC(=O)N(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353766	0	39	-1.0	-49.07	345.67	2.16	-46.91
CNC(=O)N(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353767	0	38	-1.0	-49.94	339.60	0.23	-49.71
CC1=C(C)NC(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)=N1	REAL300024353768	0	39	-1.0	-47.67	348.41	2.36	-45.31
COC1=CC2=C(C=C1OC)C(C)(C)N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024353769	0	47	-1.0	-46.63	378.55	3.47	-43.16
O=C(CSC1=NNC(=O)[N-]1)N1CCO[C@H]([C@@H](O)CO)C1	REAL300024353770	0	35	-1.0	-46.03	304.69	-5.69	-51.72
CC1(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)COC(=O)N1	REAL300024353771	0	38	-1.0	-51.32	336.90	-0.59	-51.91
NC(=O)CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCOCC1	REAL300024353772	0	37	-1.0	-53.13	315.20	-2.62	-55.75
CN(C(=O)CSC1=NNC(=O)[N-]1)C1(CNC(=O)OC(C)(C)C)CCCCC1	REAL300024353773	0	55	-1.0	-44.86	416.62	3.16	-41.70
CC(C)(C)OC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)CC1	REAL300024353774	0	53	-1.0	-51.47	407.70	4.42	-47.05
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCS1(=O)=O	REAL300024353775	0	35	-1.0	-56.44	315.88	-2.52	-58.96
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC2=CC(Br)=CC=C2C=C1	REAL300024353776	0	35	-1.0	-44.05	341.31	3.70	-40.35
COC(=O)C1=CN=C(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300024353777	0	44	-1.0	-48.44	391.29	3.20	-45.24
CC(C)(C)OC(=O)NC(C)(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353778	0	48	-1.0	-47.23	388.59	-0.73	-47.96
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=CC(C3=CC=CC=C3)=NN2)C1	REAL300024353779	0	46	-1.0	-47.59	390.21	4.52	-43.07
O=C(CSC1=NNC(=O)[N-]1)N1CC(CCC(F)(F)F)C1	REAL300024353780	0	32	-1.0	-46.51	303.74	1.99	-44.52
O=C(CSC1=NNC(=O)[N-]1)N1CC(CC2CCOCC2)C1	REAL300024353781	0	40	-1.0	-45.84	333.49	1.57	-44.27
CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024353782	0	50	-1.0	-47.73	405.81	3.19	-44.54
CN1N=CN=C1C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353783	0	33	-1.0	-48.32	304.04	-1.62	-49.94
CCCCCCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353784	0	52	-1.0	-43.77	425.62	7.00	-36.77
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCC2=CC(Br)=CC=C21	REAL300024353785	0	33	-1.0	-44.93	317.19	2.69	-42.24
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC2=CC(Br)=CC=C21	REAL300024353786	0	33	-1.0	-44.90	318.20	2.72	-42.18
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024353787	0	55	0.0	-73.88	417.77	4.56	-69.32
C[C@@H]1C[N@H+](CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024353787	1	55	0.0	-74.09	424.01	4.55	-69.54
C[C@@H]1C[N@@H+](CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024353788	0	52	0.0	-73.64	396.05	3.98	-69.66
C[C@@H]1C[N@H+](CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024353788	1	52	0.0	-73.20	402.37	3.95	-69.25
COC(=O)[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353789	0	39	-1.0	-43.90	330.98	2.90	-41.00
O=C(CSC1=NNC(=O)[N-]1)NC1=NC(C2=CC=NC=C2)=CS1	REAL300024353790	0	31	-1.0	-44.05	306.09	0.83	-43.22
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=NC=C2)=CS1	REAL300024353790	1	30	-2.0	-88.26	302.79	-0.28	-88.54
COC(=O)C1=CN=C(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300024353791	0	44	-1.0	-48.44	391.29	3.20	-45.24
CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353792	0	52	-1.0	-44.83	403.65	2.85	-41.98
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=CC=C1I	REAL300024353793	0	28	-1.0	-43.99	289.17	1.50	-42.49
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL300024353794	0	36	-1.0	-45.67	340.63	3.29	-42.38
COC(=O)[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024353795	0	39	-1.0	-46.71	347.37	2.65	-44.06
COC(=O)[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)OC1=CC=CC=C1	REAL300024353796	0	39	-1.0	-47.83	357.43	1.77	-46.06
CN(CC1=CSC=C1Br)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353797	0	29	-1.0	-41.98	295.20	2.26	-39.72
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC2(CCOCC2)CO1	REAL300024353798	0	44	-1.0	-44.50	352.22	-0.69	-45.19
COC1=CC=C(C2CC2)C=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353799	0	40	-1.0	-44.54	351.70	2.27	-42.27
COC(=O)[C@@H]1[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1(F)F	REAL300024353800	0	32	-1.0	-50.25	307.24	0.04	-50.21
COC(=O)C1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=C1	REAL300024353801	0	39	-1.0	-46.98	345.14	3.84	-43.14
CC(CO)N(CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353802	0	39	-1.0	-48.26	330.51	0.86	-47.40
CC(=O)C1=C(C)C=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024353803	0	37	-1.0	-46.49	332.38	2.42	-44.07
COC1=CC=CC2=C1OCCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353804	0	41	-1.0	-45.35	346.45	2.26	-43.09
CC(C)OC1=CC(Cl)=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353805	0	39	-1.0	-43.77	358.88	2.27	-41.50
CC1(C)C(C2=CC=C(F)C(F)=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353806	0	42	-1.0	-46.41	354.41	4.82	-41.59
CC1=CC=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C=C1	REAL300024353807	0	45	-1.0	-45.42	364.79	5.44	-39.98
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC2=CC(Br)=CC=C2O1	REAL300024353808	0	32	-1.0	-43.79	323.12	1.98	-41.81
O=C(CSC1=NNC(=O)[N-]1)NCC(F)(F)C1=CC(F)=CC(F)=C1	REAL300024353809	0	32	-1.0	-42.63	318.17	1.87	-40.76
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353810	0	51	0.0	-61.77	384.58	5.97	-55.80
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353810	1	51	0.0	-66.82	402.08	6.50	-60.32
CN(CC1=NN=C2C(=O)NC=CN12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353811	0	34	-1.0	-67.85	316.52	0.24	-67.61
CC1C2=C(C=CS2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353812	0	33	-1.0	-42.86	294.60	2.83	-40.03
CC(C)(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024353813	0	38	-1.0	-46.28	326.03	2.99	-43.29
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=CC=CC=C1C(F)(F)F	REAL300024353814	0	39	-1.0	-45.21	342.19	5.02	-40.19
O=C(CSC1=NNC(=O)[N-]1)NC1=NC2=C(CS(=O)(=O)CC2)S1	REAL300024353815	0	32	-1.0	-54.59	317.38	-2.05	-56.64
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300024353815	1	31	-2.0	-97.00	314.08	-3.17	-100.17
CN1C=CN2C(CNC(=O)CSC3=NNC(=O)[N-]3)=NN=C2C1=O	REAL300024353816	0	34	-1.0	-56.61	321.25	0.01	-56.60
COC1=C2N=C(NC(=O)CSC3=NNC(=O)[N-]3)NC2=CC=C1	REAL300024353817	0	33	-1.0	-46.74	303.13	1.45	-45.29
O=C(CSC1=NNC(=O)[N-]1)N1CCCC([NH2+]C2CCOCC2)C1	REAL300024353818	0	46	0.0	-72.13	359.89	0.82	-71.31
CC1=CC(C)=C(C2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=NN2)C=C1C	REAL300024353819	0	42	-1.0	-45.47	362.43	3.59	-41.88
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC(C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300024353820	0	35	-1.0	-45.86	333.32	2.35	-43.51
COC1=CC=CC=C1C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024353821	0	37	-1.0	-46.44	336.13	1.17	-45.27
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(=O)NC2=NC=CC=C12	REAL300024353822	0	33	-1.0	-49.62	308.14	-1.41	-51.03
CC1=C(S(N)(=O)=O)SC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353823	0	30	-1.0	-52.54	308.10	-5.04	-57.58
CC1=C(S(N)(=O)=O)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353823	1	29	-2.0	-91.68	303.55	-6.10	-97.78
COC(=O)C1=CC=C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024353824	0	39	-1.0	-53.11	339.35	4.05	-49.06
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	REAL300024353825	0	40	0.0	-71.05	322.19	-0.61	-71.66
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO	REAL300024353825	1	40	0.0	-65.91	316.30	-1.26	-67.17
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)C(=O)NC2=CC=CC=C21	REAL300024353826	0	38	-1.0	-51.76	342.63	-3.38	-55.14
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C(O)C(CO)=C1	REAL300024353827	0	37	-1.0	-48.16	336.45	-3.70	-51.86
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(N=CN2)C1C1=CC=C(F)C=C1	REAL300024353828	0	40	-1.0	-49.93	349.67	4.14	-45.79
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(NC=N2)C1C1=CC=C(F)C=C1	REAL300024353828	1	40	-1.0	-46.75	349.74	4.16	-42.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353829	0	35	-2.0	-89.45	310.40	-0.19	-89.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353829	1	35	-2.0	-89.50	310.45	-0.17	-89.67
CNC(=O)[C@H](CC1=CNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353830	0	36	-1.0	-55.26	331.88	-2.20	-57.46
CNC(=O)[C@H](CC1=CN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353830	1	36	-1.0	-57.54	331.20	-2.15	-59.69
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C1=CC=CC(Br)=C1	REAL300024357150	0	41	-1.0	-43.87	364.39	4.13	-39.74
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(O)(C2=CC=CC=C2)CC1	REAL300024357151	0	43	-1.0	-44.98	347.90	2.83	-42.15
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1S(C)(=O)=O	REAL300024357152	0	40	-1.0	-48.21	334.06	-1.12	-49.33
O=C(CSC1=NNC(=O)[N-]1)NCCCC(F)(F)C(F)(F)F	REAL300024357153	0	31	-1.0	-44.25	307.67	0.65	-43.60
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=C(F)C=C(F)C=C1F	REAL300024357154	0	32	-1.0	-42.62	306.31	1.90	-40.72
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2C=NN=N2)C(F)=C1	REAL300024357155	0	31	-1.0	-57.82	300.53	0.99	-56.83
COC1(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=N2)CCOCC1	REAL300024357156	0	43	-1.0	-44.40	362.06	-0.58	-44.98
CC(C)(C)OC(=O)C1CC2(C1)SCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024357157	0	46	-1.0	-47.76	387.35	4.51	-43.25
CCOC(=O)[C@@H]1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357158	0	41	-1.0	-45.54	352.80	2.09	-43.45
CC(F)(F)C1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357159	0	35	-1.0	-47.22	316.04	2.72	-44.50
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=C(F)C=C(F)C=C1F	REAL300024357160	0	32	-1.0	-42.67	306.40	1.90	-40.77
COC(=O)C(CC1=CC=CC=C1)O[N-]C(=O)CSC1=NNC(=O)[N-]1	REAL300024357161	0	38	-2.0	-102.27	360.56	3.36	-98.91
O=C(CSC1=NNC(=O)[N-]1)NCCC[N@@H+]1CCCOCC1	REAL300024357162	0	42	0.0	-70.08	339.98	0.12	-69.96
O=C(CSC1=NNC(=O)[N-]1)NCCC[N@H+]1CCCOCC1	REAL300024357162	1	42	0.0	-72.84	337.26	-0.06	-72.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CN2C=CC=N2)C1	REAL300024357163	0	36	-1.0	-49.36	323.87	0.89	-48.47
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CN2C=CN=C2)C1	REAL300024357164	0	36	-1.0	-49.91	323.53	2.52	-47.39
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CN2C=CC=N2)C1	REAL300024357165	0	36	-1.0	-49.33	323.82	0.89	-48.44
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CN2C=CN=N2)C1	REAL300024357166	0	35	-1.0	-52.78	317.51	-0.32	-53.10
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C2=NCCS2)C1	REAL300024357167	0	33	-1.0	-47.27	312.51	-1.54	-48.81
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CN2C=CC=N2)C1	REAL300024357168	0	36	-1.0	-48.50	323.78	0.94	-47.56
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CN2C=NC=N2)C1	REAL300024357169	0	35	-1.0	-51.55	318.80	2.35	-49.20
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CN2C=CN=C2)C1	REAL300024357170	0	36	-1.0	-49.92	323.49	2.53	-47.39
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](N2CCC3=CC=CC=C3C2)C1	REAL300024357171	0	46	-1.0	-46.14	379.13	-0.23	-46.37
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H]([N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300024357171	1	47	0.0	-68.23	383.28	2.12	-66.11
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H]([N@H+]2CCC3=CC=CC=C3C2)C1	REAL300024357171	1	47	0.0	-69.01	384.09	2.22	-66.79
CC(C)(O)C1=NNC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357172	0	35	-1.0	-46.08	322.76	-4.40	-50.48
CC(C)(O)C1=NC(CNC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024357172	1	35	-1.0	-45.97	322.45	-4.43	-50.40
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCCCC1(F)F	REAL300024357173	0	38	-1.0	-43.70	307.61	1.66	-42.04
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=NNC=C2)C1	REAL300024357174	0	34	-1.0	-48.23	302.90	-1.19	-49.42
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CC(F)F)C1	REAL300024357175	0	35	-1.0	-45.74	301.65	2.48	-43.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300024357176	0	44	-1.0	-46.56	359.10	2.57	-43.99
CN1N=C([C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)N=C1N	REAL300024357177	0	37	-1.0	-52.83	328.37	1.47	-51.36
O=C(CSC1=NNC(=O)[N-]1)NCCCCN1C(=O)OC2=CC=CC=C21	REAL300024357178	0	41	-1.0	-53.46	371.53	2.68	-50.78
COC(=O)C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357179	0	42	-1.0	-52.67	387.27	2.82	-49.85
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C2=NSN=C2C=C1	REAL300024357180	0	30	-1.0	-48.85	295.65	-0.02	-48.87
CC(C)(C)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024357181	0	42	-1.0	-43.52	329.98	0.81	-42.71
CN(CC1=NC=CN1CC(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357182	0	35	-1.0	-53.34	319.15	2.27	-51.07
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C(Br)C(F)=C1	REAL300024357183	0	32	-1.0	-46.40	322.46	2.29	-44.11
O=C(CSC1=NNC(=O)[N-]1)NCC1=CSC=C1Br	REAL300024357184	0	26	-1.0	-43.29	283.53	0.32	-42.97
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300024357185	0	40	-1.0	-46.24	361.62	1.51	-44.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300024357186	0	40	-1.0	-45.71	361.70	1.50	-44.21
CCC(C(=O)OC)N(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357187	0	37	-1.0	-44.17	312.17	2.21	-41.96
CC1=CC(CC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=CC=C1F	REAL300024357188	0	39	-1.0	-44.76	352.18	3.86	-40.90
CCCCC1(O)CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357189	0	45	-1.0	-43.55	363.58	0.27	-43.28
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300024357190	0	43	-1.0	-45.61	354.56	5.42	-40.19
CC(C)C1=CC=C2OCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024357191	0	43	-1.0	-43.05	364.08	2.94	-40.11
CC(C)C1=CC=C2OCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024357192	0	43	-1.0	-43.03	364.09	2.94	-40.09
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)C2(C1)CCOCC2	REAL300024357193	0	41	-1.0	-46.33	330.68	-2.33	-48.66
O=C(CSC1=NNC(=O)[N-]1)NC1CS(=O)(=O)C12CCOCC2	REAL300024357194	0	37	-1.0	-50.45	319.21	-3.51	-53.96
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(C2CCOC2)N=N1	REAL300024357195	0	33	-1.0	-43.56	297.72	-1.75	-45.31
CC1CN(S(C)(=O)=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357196	0	37	-1.0	-48.95	320.59	-1.86	-50.81
CN1N=C(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=C1N	REAL300024357197	0	40	-1.0	-50.71	343.85	2.27	-48.44
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)NC(=O)NC1=O	REAL300024357198	0	31	-1.0	-48.56	291.30	-5.94	-54.50
CN1CCOCC12COCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024357199	0	40	-1.0	-46.15	318.83	-3.46	-49.61
CC1=NN(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C(N)=N1	REAL300024357200	0	40	-1.0	-51.16	343.49	2.79	-48.37
CC(C1=CC=CC=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357201	0	42	-1.0	-43.78	355.32	4.94	-38.84
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=NNC3=C2COCC3)C=C1	REAL300024357202	0	41	-1.0	-48.67	358.07	0.57	-48.10
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=C3COCCC3=NN2)C=C1	REAL300024357202	1	41	-1.0	-47.43	359.50	0.62	-46.81
COC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CC1=CC=CC=C1	REAL300024357203	0	45	-1.0	-45.18	387.89	5.02	-40.16
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(NC2CCCC2)N=C1	REAL300024357204	0	40	-1.0	-44.32	342.82	1.53	-42.79
CC(C)OC1=CN=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357205	0	34	-1.0	-46.12	313.16	-0.85	-46.97
NC(=O)C1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024357206	0	24	-2.0	-87.65	264.52	-6.21	-93.86
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=NC=C1CO	REAL300024357207	0	29	-1.0	-46.20	287.87	-3.03	-49.23
C=CCNC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1O	REAL300024357208	0	38	-1.0	-53.26	347.63	-1.06	-54.32
C=CCNC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1[O-]	REAL300024357208	1	37	-2.0	-113.40	344.07	-0.04	-113.44
CC(C)(C)OC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024357209	0	47	-1.0	-51.08	395.71	1.44	-49.64
CC(C)COC1=CN=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357210	0	37	-1.0	-46.52	334.63	-0.29	-46.81
CCN1N=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1C(F)(F)F	REAL300024357211	0	32	-1.0	-42.31	302.50	0.16	-42.15
O=C(CSC1=NNC(=O)[N-]1)N1CCC(=O)C(F)(F)CC1	REAL300024357212	0	31	-1.0	-47.50	278.85	1.48	-46.02
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(C2=CC=CC=C2)=NN1	REAL300024358150	0	36	-1.0	-45.71	333.35	0.76	-44.95
C[NH+](C)C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024358151	0	41	0.0	-63.33	344.99	3.62	-59.71
O=C(CSC1=NNC(=O)[N-]1)NC(CF)C1=CC=CC(Cl)=C1	REAL300024358152	0	32	-1.0	-46.39	311.78	2.31	-44.08
CC(C)OC1=CC=CC=C1[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358153	0	42	-1.0	-45.86	358.51	2.63	-43.23
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300024358154	0	41	-1.0	-46.27	343.62	1.94	-44.33
COC(=O)C(CC1=CSC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358155	0	35	-1.0	-48.13	338.47	1.77	-46.36
CC1=CC=C(O)C2=C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024358156	0	37	-1.0	-45.37	308.59	2.88	-42.49
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCC1(F)F	REAL300024358157	0	38	-1.0	-44.10	326.08	1.86	-42.24
CN(C)C1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024358158	0	39	-1.0	-47.92	344.09	1.44	-46.48
C[N@@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCCC2	REAL300024358159	0	42	0.0	-62.72	331.95	1.60	-61.12
C[N@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCCC2	REAL300024358159	1	42	0.0	-62.12	334.82	1.93	-60.19
O=C(CSC1=NNC(=O)[N-]1)N[C@H](CC1=CC=CC=C1)C1=NNC=N1	REAL300024358160	0	38	-1.0	-50.29	348.20	2.52	-47.77
O=C(CSC1=NNC(=O)[N-]1)N[C@H](CC1=CC=CC=C1)C1=NN=CN1	REAL300024358160	1	38	-1.0	-48.52	347.61	2.91	-45.61
CC1(C)OC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)NC1=O	REAL300024358161	0	41	-1.0	-45.73	337.06	-2.06	-47.79
CC1=CC=CC(NC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024358162	0	48	-1.0	-50.57	411.27	2.25	-48.32
CC1C(C2=CC=C(F)C(F)=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358163	0	39	-1.0	-46.48	336.86	4.20	-42.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300024358164	0	34	-1.0	-51.10	324.24	-2.55	-53.65
CCOC(=O)C1=C(C)N=C(N(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024358165	0	37	-1.0	-46.36	338.41	1.56	-44.80
CCOC(=O)C1=CN=C(N(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024358166	0	34	-1.0	-46.07	320.57	0.36	-45.71
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CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)=C1CC1	REAL300024601295	0	37	-1.0	-48.43	337.91	-0.77	-49.20
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O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(O)C1=CC=CC=N1	REAL300024609163	0	39	-1.0	-48.68	355.54	-3.32	-52.00
CC(O)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=N1	REAL300024609164	0	42	-1.0	-50.46	375.97	-3.84	-54.30
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CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(C)=C1C#N	REAL300024609177	0	43	-1.0	-49.52	389.57	0.68	-48.84
COC(=O)[C@@H]1O[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024609178	0	46	-1.0	-55.35	407.64	-0.54	-55.89
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CC1=NS(=O)(=O)NC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609183	0	39	-1.0	-59.36	369.69	-6.98	-66.34
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CN(C)C(=O)C=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609186	0	40	-1.0	-50.68	363.98	-2.94	-53.62
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C#CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609188	0	35	-1.0	-47.26	331.35	-1.17	-48.43
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COC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(OC)=N1	REAL300024609190	0	43	-1.0	-51.93	387.65	-3.96	-55.89
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300024609191	0	49	0.0	-69.17	401.72	-3.08	-72.25
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300024609191	1	49	0.0	-69.32	401.50	-2.91	-72.23
CN(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300024609191	1	48	-1.0	-49.22	399.72	-5.08	-54.30
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CC(C)(C)C1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609195	0	44	-1.0	-51.20	391.96	-3.12	-54.32
N#CC1=CN=CC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609196	0	39	-1.0	-53.16	370.89	-1.41	-54.57
C[C@H]1C2=CNN=C2CC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609197	0	46	-1.0	-50.49	390.59	-1.67	-52.16
CC(=O)NC1=CN=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609198	0	42	-1.0	-52.45	377.52	-3.22	-55.67
CCC1CN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609199	0	44	-1.0	-49.43	379.99	-3.47	-52.90
CCC1C[NH+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609199	1	45	0.0	-72.20	383.38	-0.43	-72.63
NC1=CC=C([C@@H]2C[C@H]2C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024609200	0	45	-1.0	-49.33	398.13	-0.80	-50.13
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@H]1CCC(=O)O1	REAL300024609201	0	36	-1.0	-58.40	333.64	-1.68	-60.08
CC1=CN(C)C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609202	0	40	-1.0	-52.21	359.03	-0.42	-52.63
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[NH+](C2CCOCC2)C1	REAL300024609203	0	50	0.0	-76.45	413.91	-1.34	-77.79
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CSCCSC1	REAL300024609204	0	43	-1.0	-49.35	389.76	-2.22	-51.57
O=C(C=CC1=CC=C(Cl)C=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609205	0	40	-1.0	-48.57	381.78	1.01	-47.56
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1([NH+]2CCCC2)CCC1	REAL300024609206	0	49	0.0	-70.05	390.74	0.42	-69.63
O=C(C=CC1=NC2=CC=CC=C2C=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609207	0	45	-1.0	-51.20	408.84	1.12	-50.08
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C2NCCCCC2=C1	REAL300024609208	0	48	-1.0	-48.55	406.11	0.00	-48.55
NC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300024609209	0	39	-1.0	-51.57	354.24	-4.29	-55.86
CC(=O)CCC(C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609210	0	46	-1.0	-50.41	396.29	-0.32	-50.73
C=CC=CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609211	0	37	-1.0	-48.51	343.30	-1.04	-49.55
COC(=O)[C@@H]1C[C@]1(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609212	0	42	-1.0	-52.90	379.48	-1.08	-53.98
C=CCC(CC(C)C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609213	0	48	-1.0	-46.70	400.73	1.10	-45.60
O=C(COCC1=CC=CC=N1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609214	0	42	-1.0	-52.84	382.39	-1.34	-54.18
N#CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024609215	0	36	-2.0	-80.73	350.97	-4.28	-85.01
O=C(COC1=NC(=O)[N-]C(=O)N1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609216	0	38	-2.0	-91.99	367.87	-10.16	-102.15
O=C(COC1=NC(=O)NC(=O)[N-]1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609216	1	38	-2.0	-85.87	367.81	-10.10	-95.97
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCC(C1)S2	REAL300024609217	0	44	-1.0	-49.81	371.48	0.15	-49.66
O=C(C=CCl)NCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609218	0	40	-1.0	-55.28	384.97	-3.54	-58.82
CN1N=CC2=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)N=CN=C21	REAL300024609219	0	40	-1.0	-49.08	369.72	-1.78	-50.86
CCC1=CC=C(C(C)=CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024609220	0	49	-1.0	-46.97	427.93	2.75	-44.22
O=C(C=CC1=CN=CC(F)=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609221	0	39	-1.0	-49.57	366.36	-1.21	-50.78
COC(=O)[C@@H]1CC[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609222	0	43	-1.0	-59.44	386.95	-1.20	-60.64
C#CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024609223	0	38	-1.0	-47.12	347.17	-0.74	-47.86
C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609224	0	42	0.0	-67.67	356.42	-1.33	-69.00
C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609224	1	42	0.0	-70.21	350.68	-1.74	-71.95
CN1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609224	1	41	-1.0	-48.98	355.80	-3.69	-52.67
COC1=CC=C2NC=CC2=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609225	0	44	-1.0	-54.86	394.68	-1.51	-56.37
CCCC=CC(O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609226	0	43	-1.0	-47.86	383.41	-2.19	-50.05
CC1(C)OCC(CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609227	0	47	-1.0	-49.08	406.94	-1.85	-50.93
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCOC2(CCCC2)C1	REAL300024609228	0	50	-1.0	-48.51	406.29	-0.43	-48.94
COC(=O)C1=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024609229	0	38	-1.0	-51.79	375.06	-2.92	-54.71
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=NC(C2CC2)=CS1	REAL300024609230	0	42	-1.0	-51.82	390.79	-0.85	-52.67
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC=CCO1	REAL300024609231	0	38	-1.0	-50.52	341.20	-1.77	-52.29
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCOC1CCOC2	REAL300024609232	0	45	-1.0	-49.79	372.89	-2.31	-52.10
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C#N)C=C1	REAL300024609233	0	43	-1.0	-51.06	391.86	0.90	-50.16
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCNS1(=O)=O	REAL300024609234	0	41	-1.0	-56.13	371.80	-6.64	-62.77
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(C(F)(F)F)CCCCO1	REAL300024609235	0	43	-1.0	-46.16	379.23	-1.53	-47.69
CC(C)(C)C1=NN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024609236	0	46	-1.0	-55.89	409.20	-2.39	-58.28
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C2CCCC2=C1	REAL300024609237	0	42	-1.0	-49.53	371.07	-0.62	-50.15
O=C(C=CCCCCCCCO)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609238	0	52	-1.0	-50.20	448.71	-1.08	-51.28
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CNC2=CC=CC=C12	REAL300024609239	0	43	-1.0	-52.61	387.06	0.03	-52.58
CCCC1=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024609240	0	41	-1.0	-48.02	382.70	-1.46	-49.48
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCC(C2)C1	REAL300024609241	0	46	-1.0	-48.06	356.22	0.64	-47.42
CN1C=CN=C1C(F)(F)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609242	0	39	-1.0	-52.46	363.94	-1.07	-53.53
O=C(C=CC1=NC=CO1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609243	0	36	-1.0	-50.35	343.45	-4.53	-54.88
CC1=NC(C2CC2)=NC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609244	0	44	-1.0	-48.69	389.31	-0.38	-49.07
COC(=O)C(OC)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609245	0	39	-1.0	-52.67	361.22	-2.30	-54.97
CC(=O)N[C@H]1CC[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609246	0	49	-1.0	-51.85	411.82	-1.71	-53.56
CC1(C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)O1	REAL300024609247	0	52	-1.0	-47.61	422.34	-0.20	-47.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300024609248	0	38	-2.0	-83.88	364.67	-1.45	-85.33
CC(CC1CCC1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609250	0	45	-1.0	-47.28	378.28	0.28	-47.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC2=C(CCCNC2=O)O1	REAL300024609251	0	44	-1.0	-54.13	392.26	-3.38	-57.51
CC1=NSC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024609252	0	37	-1.0	-47.96	348.43	-4.34	-52.30
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2(C1)N=N2	REAL300024609253	0	39	-1.0	-48.45	351.06	-6.37	-54.82
CC1(C)C=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609254	0	40	-1.0	-47.74	357.94	-0.51	-48.25
O=C(CCC=CBr)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609255	0	36	-1.0	-47.62	350.92	-0.97	-48.59
O=C(CCC1=NNC=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609256	0	39	-1.0	-50.66	356.40	-2.85	-53.51
CC1=NC2=NC=NN2C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609257	0	40	-1.0	-52.43	367.17	1.21	-51.22
CC12CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)(C1)C1(CCC1)O2	REAL300024609258	0	48	-1.0	-48.45	402.19	-0.67	-49.12
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=NN1C1CC1	REAL300024609259	0	39	-1.0	-50.16	357.19	-2.75	-52.91
CC(C)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCO1	REAL300024609260	0	46	-1.0	-50.62	382.81	-0.81	-51.43
COC(=O)[C@@H]1[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1(F)F	REAL300024609261	0	39	-1.0	-48.97	373.72	-1.38	-50.35
CC1CCC(F)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609262	0	45	-1.0	-46.28	381.68	0.15	-46.13
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2(CC2(F)F)C1	REAL300024609263	0	43	-1.0	-49.02	383.28	0.35	-48.67
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(F)=CC1=CNC=N1	REAL300024609264	0	37	-1.0	-53.51	351.10	-1.46	-54.97
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CC=NC=C1Cl	REAL300024609265	0	38	-1.0	-50.81	364.38	-1.38	-52.19
CC1(C)CCC(F)(F)CC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609266	0	48	-1.0	-46.45	392.09	0.49	-45.96
CS(C)(=O)=NC(=O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609267	0	38	-1.0	-64.72	362.30	-6.26	-70.98
CCOC(=O)CCC(F)(F)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609268	0	44	-1.0	-49.05	404.21	-0.37	-49.42
CC[N@@H+]1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609269	0	49	0.0	-73.06	394.10	-1.92	-74.98
CC[N@H+]1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609269	1	48	-1.0	-49.31	392.50	-4.33	-53.64
CCN1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609269	1	48	-1.0	-49.31	392.50	-4.33	-53.64
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=NN=C2COCCN12	REAL300024609270	0	43	-1.0	-58.79	384.19	-2.57	-61.36
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=NN=C2CCCCN12	REAL300024609271	0	45	-1.0	-59.48	392.58	-0.23	-59.71
CC1(C)CCOC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609272	0	46	-1.0	-50.54	385.33	-1.10	-51.64
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NN2C=CC=CC2=N1	REAL300024609273	0	38	-1.0	-56.75	356.62	-1.12	-57.87
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(CC2=NNN=C2)CCC1	REAL300024609274	0	45	-1.0	-56.16	395.24	-2.41	-58.57
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(CC2=CNN=N2)CCC1	REAL300024609274	1	45	-1.0	-56.16	395.24	-2.41	-58.57
CC12CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)(C1)C1(COC1)O2	REAL300024609275	0	46	-1.0	-50.97	393.60	-3.41	-54.38
CC1(C)CC(O)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609276	0	43	-1.0	-47.55	367.68	-3.40	-50.95
COC(=O)CC1(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609277	0	45	-1.0	-47.98	399.12	-0.33	-48.31
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300024609278	0	46	0.0	-86.08	390.61	-2.58	-88.66
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC2=C(O)C=CC=C2C=C1	REAL300024609279	0	43	-1.0	-52.12	386.58	-1.22	-53.34
CN1N=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=C1Cl	REAL300024609280	0	36	-1.0	-48.94	367.20	-2.04	-50.98
CC(=CC1=CNC=N1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609281	0	40	-1.0	-52.25	359.10	-0.52	-52.77
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NC1=C(Cl)C(=O)NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609284	0	38	-1.0	-53.33	364.21	-5.26	-58.59
CC1=CC2=NC=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=C2C=C1	REAL300024609285	0	44	-1.0	-50.35	393.18	0.33	-50.02
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC=C1C1CC1(F)F	REAL300024609286	0	43	-1.0	-51.29	387.14	1.50	-49.79
CC1(C)OC[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609287	0	41	-1.0	-50.79	364.58	-2.66	-53.45
C[C@@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024609288	0	42	-1.0	-49.37	377.47	0.60	-48.77
COC1=NSC(C=CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609289	0	40	-1.0	-49.27	384.93	-3.48	-52.75
CN(C)C(=O)C#CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609290	0	38	-1.0	-52.35	359.40	-2.93	-55.28
CC1(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1(F)Cl	REAL300024609291	0	39	-1.0	-46.60	366.36	-0.46	-47.06
CC(=O)C1=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024609292	0	37	-1.0	-54.33	363.59	-3.09	-57.42
CC1(C)OCC2CC21C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609293	0	44	-1.0	-47.62	377.61	-1.52	-49.14
C#C[C@H]1C[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609294	0	35	-1.0	-50.45	328.52	-1.08	-51.53
CCN1CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300024609295	0	46	-1.0	-51.84	394.31	-1.47	-53.31
CC(C)CCCC(=O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609296	0	46	-1.0	-45.86	400.25	-0.21	-46.07
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC(CC1=O)C2	REAL300024609297	0	42	-1.0	-50.45	366.46	-1.14	-51.59
CN1N=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024609298	0	35	-2.0	-91.55	338.30	-6.10	-97.65
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O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CNN=C1C1CCOCC1	REAL300024609300	0	47	-1.0	-52.49	404.77	-2.86	-55.35
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(Cl)=NC(C2CC2)=C1	REAL300024609301	0	42	-1.0	-47.90	392.35	-0.01	-47.91
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCNC2=CC(F)=CC=C21	REAL300024609302	0	45	-1.0	-50.12	394.06	-0.70	-50.82
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[NH+](C2CCCCC2)C1	REAL300024609303	0	52	0.0	-71.86	422.14	1.06	-70.80
[N-]=[N+]=NC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609304	0	35	-1.0	-46.09	328.86	-5.16	-51.25
CON1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609305	0	45	-1.0	-49.54	379.86	-3.31	-52.85
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CCN(C2CC2)C1=O	REAL300024609306	0	46	-1.0	-57.77	402.86	-0.81	-58.58
NC1=C(F)C=C(F)C(F)=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609307	0	38	-1.0	-48.36	365.63	-2.76	-51.12
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609308	0	44	-1.0	-47.82	385.74	-3.87	-51.69
CN1N=CC=C1C(O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609309	0	40	-1.0	-51.08	361.88	-4.44	-55.52
CC12CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)(CO1)CCC2	REAL300024609310	0	47	-1.0	-47.87	387.68	-1.42	-49.29
CN1N=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C2=C1CCOC2	REAL300024609311	0	44	-1.0	-52.35	387.72	-2.95	-55.30
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC(C2(O)COC2)=C1	REAL300024609312	0	45	-1.0	-52.86	396.38	-3.65	-56.51
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609313	0	44	-1.0	-48.88	402.95	-1.43	-50.31
CC1=CC=CN=C1C=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609314	0	42	-1.0	-49.67	380.08	-0.49	-50.16
CCC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024609315	0	48	-1.0	-47.04	394.97	0.85	-46.19
CN1C=CC(C2=NNC=C2C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024609316	0	43	-1.0	-59.80	392.56	-2.59	-62.39
CC1(C)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024609317	0	45	-1.0	-56.48	389.85	-3.72	-60.20
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)NC2=CC(C)=CC=C21	REAL300024609318	0	46	-1.0	-48.91	403.27	0.58	-48.33
COCC1=CC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024609319	0	42	-1.0	-55.48	384.98	-2.78	-58.26
CC1=NC(CO)=NC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609320	0	41	-1.0	-51.17	370.22	-5.50	-56.67
CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC(C2CC2)=NO1	REAL300024609321	0	44	-1.0	-48.61	391.05	-1.15	-49.76
CC(C)C1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024609322	0	45	-1.0	-52.61	393.88	1.24	-51.37
CC(C)(C)C1=CC=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609323	0	47	-1.0	-48.24	404.54	-0.07	-48.31
N#CCCSCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609324	0	37	-1.0	-53.16	360.52	-1.16	-54.32
COC1C[N@@H+]2CCCC2(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609325	0	50	0.0	-70.95	408.61	-1.32	-72.27
COC1C[N@H+]2CCCC2(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609325	1	50	0.0	-70.95	408.61	-1.32	-72.27
NS(=O)(=O)C1=COC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609326	0	38	-1.0	-55.33	371.25	-7.81	-63.14
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1CCC2=CC=CC=C2N1	REAL300024609327	0	48	-1.0	-50.34	410.56	0.13	-50.21
O=C(C=CC1=NC=CN1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609328	0	37	-1.0	-51.10	347.47	-2.56	-53.66
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=CC(C2=COC=C2)=C1	REAL300024609329	0	42	-1.0	-50.59	384.70	-0.90	-51.49
CC(=CC1=CC=C(F)C=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609330	0	43	-1.0	-48.53	384.11	1.13	-47.40
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC2=CN=NN21	REAL300024609331	0	38	-1.0	-55.11	349.86	-2.01	-57.12
CC(=O)NC1(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609332	0	43	-1.0	-49.82	384.32	-3.22	-53.04
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(Cl)SN=C1Cl	REAL300024609333	0	32	-1.0	-47.02	352.20	-2.21	-49.23
CNC(=O)N[C@@H](C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609334	0	41	-1.0	-51.05	368.22	-5.81	-56.86
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC(C2CC2)=NO1	REAL300024609335	0	41	-1.0	-55.27	371.79	-0.75	-56.02
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC(F)(CC1)C2	REAL300024609336	0	43	-1.0	-48.95	370.33	-0.17	-49.12
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300024609337	0	42	-1.0	-51.32	392.63	-0.04	-51.36
CNC1=CN=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609338	0	40	-1.0	-49.29	360.61	-3.71	-53.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC(C2CCC2)C1	REAL300024609339	0	46	-1.0	-47.61	390.14	0.92	-46.69
NC1=CC=C(CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024609340	0	43	-1.0	-50.34	386.56	-2.26	-52.60
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C2OCCCC2=C1	REAL300024609341	0	43	-1.0	-51.18	379.28	-3.19	-54.37
NC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1CC1	REAL300024609342	0	42	-1.0	-50.38	377.18	-2.30	-52.68
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CN=C2C=C1	REAL300024609343	0	44	-1.0	-50.58	393.34	-0.07	-50.65
O=C(C=CC1=NC2=CC=CC=C2N1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609344	0	43	-1.0	-51.51	394.27	-0.53	-52.04
[N-]=[N+]=NC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1[O-]	REAL300024609345	0	38	-2.0	-86.59	365.68	-4.92	-91.51
CCC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)OC	REAL300024609346	0	42	-1.0	-48.60	363.84	-1.77	-50.37
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1CCC1	REAL300024609347	0	46	-1.0	-49.89	399.19	-0.25	-50.14
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300024609348	0	42	-1.0	-54.79	381.70	1.39	-53.40
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CC2=CN=CN2C=C1	REAL300024609348	1	42	-1.0	-54.79	381.70	1.39	-53.40
COCC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC=CCC1	REAL300024609349	0	47	-1.0	-49.96	396.64	-1.06	-51.02
CC(=O)CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024609350	0	47	-1.0	-55.07	395.37	0.28	-54.79
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(C(=O)NC2CC2)CCC1	REAL300024609351	0	47	-1.0	-47.58	411.53	-2.06	-49.64
CC(C)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N1C=CC=N1	REAL300024609352	0	42	-1.0	-55.07	369.79	-1.35	-56.42
COC(=O)N[C@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024609353	0	46	-1.0	-48.82	395.30	-3.58	-52.40
COC(=O)NC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024609354	0	46	-1.0	-48.86	395.28	-3.58	-52.44
O=C(CSCC1CCCO1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609355	0	44	-1.0	-52.73	396.50	-1.32	-54.05
NC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024609356	0	37	-1.0	-49.94	342.75	-4.53	-54.47
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C([N+](=O)[O-])C=N1	REAL300024609357	0	37	-1.0	-47.77	356.10	-1.76	-49.53
CCC(=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024609358	0	46	-1.0	-46.72	399.99	1.94	-44.78
CCSC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024609359	0	45	-1.0	-48.85	390.88	0.51	-48.34
COC(=O)N1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609360	0	44	-1.0	-55.88	389.59	-2.37	-58.25
CC1=CC(C)=C(O)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609361	0	43	-1.0	-50.06	380.83	-0.79	-50.85
CCSC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024609362	0	42	-1.0	-48.15	389.72	-0.40	-48.55
CC(=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1Cl	REAL300024609363	0	43	-1.0	-47.72	400.12	1.74	-45.98
CCCC(NC(N)=O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609364	0	44	-1.0	-56.76	382.28	-4.73	-61.49
COC1=CC=C(C)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024609365	0	45	-1.0	-49.08	395.44	-3.01	-52.09
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CSC=N1	REAL300024609366	0	32	-1.0	-48.95	317.77	-3.70	-52.65
CCCCC1=CSC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024609367	0	44	-1.0	-51.51	403.74	-0.71	-52.22
NC1=NC(Cl)=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609368	0	37	-1.0	-48.54	352.82	-2.95	-51.49
CC(C1=CC=CC=C1)C(O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609369	0	46	-1.0	-48.92	398.37	-0.32	-49.24
CCC(NC1=CC=CC=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609370	0	47	-1.0	-47.99	397.02	-0.65	-48.64
O=C(CNC1=NC=CS1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609371	0	37	-1.0	-48.30	354.85	-3.41	-51.71
CNC(=O)NC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024609372	0	48	-1.0	-55.76	406.07	-4.19	-59.95
CC1=CC([N+](=O)[O-])=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609373	0	41	-1.0	-49.44	374.77	0.63	-48.81
NC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=CN=C1F	REAL300024609374	0	37	-1.0	-49.51	341.63	-4.30	-53.81
CC1=CN=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024609375	0	41	-1.0	-48.77	366.48	-1.21	-49.98
CC1OC(=O)NC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609376	0	38	-1.0	-57.38	343.92	-5.52	-62.90
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1NC(=O)CC1C(F)(F)F	REAL300024609377	0	40	-1.0	-55.16	364.23	-3.55	-58.71
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CCOC1=O	REAL300024609378	0	38	-1.0	-58.71	350.39	-3.20	-61.91
CC=C(CC)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609379	0	39	-1.0	-47.57	344.48	-1.02	-48.59
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O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCCC1CCC2	REAL300024609381	0	46	-1.0	-47.80	378.37	0.56	-47.24
CS(=O)C1=CC=CC=C1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609382	0	44	-1.0	-56.50	396.77	-0.82	-57.32
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CCC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)O	REAL300024609394	0	42	-1.0	-49.46	361.36	-4.27	-53.73
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COC(F)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609404	0	33	-1.0	-50.95	313.75	-4.17	-55.12
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CC(C)(C)C1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024609406	0	47	-1.0	-48.53	404.73	0.12	-48.41
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NC1=[NH+]C2=CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024609409	1	42	0.0	-71.20	374.88	-1.03	-72.23
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NS(=O)(=O)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609418	0	37	-1.0	-55.36	352.01	-8.01	-63.37
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COC1=CC=C(C(C)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024609421	0	46	-1.0	-50.09	400.55	-0.17	-50.26
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CC1=NN=C(CN(C)CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1C	REAL300024609423	0	49	-1.0	-60.41	418.10	-2.18	-62.59
COC(=O)NCCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609424	0	43	-1.0	-52.36	388.27	-4.49	-56.85
CC1=CC=C(N)C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609425	0	41	-1.0	-48.39	361.65	-2.16	-50.55
COC(=O)NC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024609426	0	47	-1.0	-52.66	402.03	-3.20	-55.86
COC(=O)NC(C)(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609427	0	43	-1.0	-48.66	376.49	-4.49	-53.15
CC(C)NC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024609428	0	46	-1.0	-49.29	400.75	-1.35	-50.64
COC1=CC(N)=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(OC)=C1	REAL300024609429	0	46	-1.0	-51.08	406.19	-4.29	-55.37
COC1=CC=CC(C(O)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609430	0	44	-1.0	-49.36	392.75	-2.68	-52.04
CC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC=C1	REAL300024609431	0	47	-1.0	-48.98	412.40	1.10	-47.88
CC(C)C1=CC=C(O)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609432	0	46	-1.0	-49.59	399.50	-0.25	-49.84
NC1=CC=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609433	0	37	-1.0	-49.39	342.85	-4.53	-53.92
N#CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024609434	0	37	-1.0	-48.34	340.54	-1.57	-49.91
COC1=CC(C)=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024609435	0	44	-1.0	-52.33	389.95	-1.74	-54.07
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N#CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024609437	0	34	-1.0	-54.12	341.12	-1.41	-55.53
COC1=CC=C2NC=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024609438	0	44	-1.0	-58.76	392.39	-1.44	-60.20
CSC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609439	0	37	-1.0	-47.12	358.00	-1.51	-48.63
CC(=O)C1=CSC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609440	0	38	-1.0	-55.52	364.42	-1.28	-56.80
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1C=C([N+](=O)[O-])C=CC1=O	REAL300024609441	0	41	-1.0	-56.80	387.52	-0.77	-57.57
CC1=NN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1C=NO	REAL300024609442	0	46	-1.0	-57.31	414.81	-3.64	-60.95
O=C(C=C1CCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609443	0	40	-1.0	-47.53	350.56	-0.40	-47.93
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C2NC(=O)C(=O)C2=C1	REAL300024609444	0	40	-1.0	-56.81	375.32	-3.23	-60.04
COC(=O)C1=CN=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609445	0	41	-1.0	-52.15	380.45	-1.84	-53.99
CC(C)(C#N)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609446	0	39	-1.0	-48.23	347.61	-1.51	-49.74
CC1=CN=C(Cl)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609447	0	38	-1.0	-51.46	359.64	-1.40	-52.86
CSC(C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609448	0	42	-1.0	-47.99	377.61	-0.48	-48.47
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC(=O)NC1CC1	REAL300024609449	0	40	-1.0	-58.30	362.82	-2.26	-60.56
CC(O)(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024609450	0	46	-1.0	-48.53	395.40	-0.98	-49.51
CC(=O)OCC(C)(C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609451	0	47	-1.0	-50.46	403.27	-0.15	-50.61
COCC(O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609452	0	37	-1.0	-49.36	339.29	-5.83	-55.19
CC(C)(CCCO)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609453	0	45	-1.0	-48.53	380.72	-3.85	-52.38
CN1N=NC2=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=CC=C21	REAL300024609454	0	41	-1.0	-62.34	373.31	-2.06	-64.40
CCCC1=NSC(N)=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609455	0	43	-1.0	-48.85	397.05	-3.16	-52.01
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CC1=C(F)C=CC=C1C1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609457	0	46	-1.0	-49.05	404.81	1.61	-47.44
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NC(=O)C1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024609459	0	40	-1.0	-64.10	367.71	-3.82	-67.92
CC1=CC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024609460	0	41	-1.0	-51.85	371.64	-1.18	-53.03
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCOC1	REAL300024609461	0	43	-1.0	-47.77	366.73	-2.34	-50.11
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CC1=CN2C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=CN=C2S1	REAL300024609463	0	39	-1.0	-50.57	367.35	-0.29	-50.86
NC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=NC=C1F	REAL300024609464	0	37	-1.0	-47.45	348.45	-4.44	-51.89
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(C2=CC=NC=C2)CC1	REAL300024609465	0	42	-1.0	-49.38	376.46	-0.74	-50.12
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=COC(Cl)=C1	REAL300024609466	0	33	-1.0	-50.10	330.97	-2.11	-52.21
O=CNC(CC1=CSC=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609467	0	43	-1.0	-54.51	395.77	-1.30	-55.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2=CN=NN2C1	REAL300024609468	0	42	-1.0	-53.14	369.84	-2.68	-55.82
CCOC1=CC(=O)OC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609469	0	42	-1.0	-49.81	385.32	-1.25	-51.06
CC1=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C2C=CNC2=N1	REAL300024609470	0	41	-1.0	-51.55	373.95	-1.61	-53.16
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=C2NC=CC=C2N=C1	REAL300024609471	0	42	-1.0	-63.40	381.52	-1.84	-65.24
C[NH+](C)[C@H]1C[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609472	0	45	0.0	-72.13	380.27	-0.56	-72.69
CSC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024609473	0	36	-1.0	-47.51	361.39	-2.35	-49.86
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC2=C(NC(=O)C=C2)S1	REAL300024609474	0	39	-1.0	-52.06	374.13	-2.55	-54.61
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCCNC1=O	REAL300024609475	0	43	-1.0	-48.22	356.77	-3.31	-51.53
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NN=CN1C1CC1	REAL300024609476	0	39	-1.0	-50.91	356.63	-0.26	-51.17
CC1=C(C)N2C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=CN=C2S1	REAL300024609477	0	42	-1.0	-51.76	382.27	0.17	-51.59
CC1(C)[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C(F)F	REAL300024609478	0	42	-1.0	-47.68	367.95	-0.32	-48.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC(OC(F)F)C1	REAL300024609479	0	43	-1.0	-49.53	382.57	-1.79	-51.32
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC3CC(CC(C3)O1)C2	REAL300024609480	0	48	-1.0	-47.05	389.02	-0.75	-47.80
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CC1=CC(C=CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300024609580	1	45	0.0	-73.11	395.90	-1.32	-74.43
COC1=CC=CC(NCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609581	0	45	-1.0	-50.95	397.52	-2.44	-53.39
CC1=NN=NN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609582	0	37	-1.0	-59.84	346.02	-3.61	-63.45
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC2=NN=CN21	REAL300024609583	0	38	-1.0	-57.79	348.43	0.24	-57.55
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCOC(=O)CC1	REAL300024609584	0	42	-1.0	-55.75	364.47	-1.25	-57.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1C[C@@H]1C1=NN=CN1	REAL300024609585	0	39	-1.0	-57.62	355.33	-1.55	-59.17
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1C[C@@H]1C1=NNC=N1	REAL300024609585	1	39	-1.0	-53.77	354.69	-1.23	-55.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1COC2COCC21	REAL300024609586	0	42	-1.0	-48.84	362.54	-4.40	-53.24
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@]12C[C@H]1[C@H](F)C2	REAL300024609587	0	37	-1.0	-50.43	340.72	-0.95	-51.38
CC(C)(C)C1=CN=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609588	0	47	-1.0	-48.36	402.02	-0.19	-48.55
O=C(CCC1=CC=CC(=O)N1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609589	0	42	-1.0	-55.34	381.19	-2.43	-57.77
CCC1=C2N=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2N=C1	REAL300024609590	0	44	-1.0	-49.61	398.52	-0.30	-49.91
CC(F)(F)C1=NNC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609591	0	39	-1.0	-49.90	367.70	-2.66	-52.56
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CNC(=O)O1	REAL300024609592	0	33	-1.0	-51.84	319.44	-5.42	-57.26
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1CC(F)F	REAL300024609593	0	42	-1.0	-51.85	386.05	-1.34	-53.19
CC12CCC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)(CC1)OC2	REAL300024609594	0	47	-1.0	-46.60	389.23	-1.20	-47.80
CC(C)CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1N	REAL300024609595	0	50	-1.0	-49.84	416.83	0.10	-49.74
CC(C)[C@@H]1C[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609596	0	42	-1.0	-47.49	367.50	-0.25	-47.74
C[NH+](C)CCOCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609597	0	45	0.0	-71.78	386.59	-1.22	-73.00
CC1=NN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1C	REAL300024609598	0	45	-1.0	-54.79	396.75	-0.99	-55.78
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NN2CCCNC(=O)C2=C1	REAL300024609599	0	44	-1.0	-54.35	392.20	-4.62	-58.97
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C2C(=C1)C=CNC2=O	REAL300024609600	0	41	-1.0	-57.96	377.40	-3.26	-61.22
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=NC2=NNC=C21	REAL300024609601	0	38	-1.0	-54.88	350.81	-2.72	-57.60
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(Cl)N1	REAL300024609602	0	33	-1.0	-48.57	329.56	-3.42	-51.99
CCCC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024609603	0	43	-1.0	-48.95	382.54	-0.82	-49.77
O=C(C=CCOC1=CC=CC=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609604	0	44	-1.0	-51.03	398.27	0.20	-50.83
CCCCC[N@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609605	0	53	0.0	-74.59	435.32	1.23	-73.36
CCCCC[N@@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609605	1	53	0.0	-74.59	435.32	1.23	-73.36
CC(C)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=NC=C1	REAL300024609606	0	44	-1.0	-50.38	381.47	-0.85	-51.23
CN1CSCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609607	0	39	-1.0	-50.01	354.62	-3.52	-53.53
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC2CCCC12	REAL300024609608	0	41	-1.0	-47.71	360.33	0.11	-47.60
CC(C)N1C=NN=C1CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750150	0	47	-1.0	-55.29	410.82	1.23	-54.06
CCC(O)(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024750151	0	49	-1.0	-47.15	414.69	-0.87	-48.02
CC(CNC(=O)CC1(CO)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750152	0	46	-1.0	-45.89	388.30	-2.75	-48.64
CC(CNC(=O)C1=COC2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750153	0	46	-1.0	-48.71	395.48	1.05	-47.66
CC(CNC(=O)C1(C2CCCO2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750154	0	50	-1.0	-47.11	409.77	1.31	-45.80
CC(CNC(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750155	0	49	0.0	-71.28	417.11	0.23	-71.05
CC(CNC(=O)C1=CC=C(CN(C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750155	1	48	-1.0	-46.52	414.43	-2.25	-48.77
CC(CNC(=O)C1=CON=C1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750156	0	47	-1.0	-47.70	399.45	0.23	-47.47
CC(CNC(=O)CC1(CO)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750157	0	49	-1.0	-45.45	402.24	-2.05	-47.50
CCCCC1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C(C)O1	REAL300024750158	0	51	-1.0	-45.83	438.40	2.33	-43.50
CC(CNC(=O)C1CCCC2=C1N(C)N=N2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750159	0	48	-1.0	-53.51	408.29	-1.25	-54.76
CON=C(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300024750160	0	43	-1.0	-48.73	390.41	-0.57	-49.30
CC(CNC(=O)C1CCN2N=CN=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750161	0	45	-1.0	-50.87	390.65	0.37	-50.50
CC(CNC(=O)C1CC(=O)NC1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750162	0	46	-1.0	-50.04	393.42	-3.11	-53.15
C=CCC1=CC=CC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750163	0	46	-1.0	-45.76	398.07	2.33	-43.43
COC1C[C@@H]2CC(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)C[C@H]12	REAL300024750164	0	50	-1.0	-46.43	412.36	0.55	-45.88
CC(CNC(=O)C1=CC=NC2=C1NC(=O)N2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750165	0	42	-1.0	-50.87	379.14	-3.39	-54.26
CC(CNC(=O)CC1=NC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750166	0	38	-1.0	-49.51	359.75	-1.82	-51.33
CC(CNC(=O)CC1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750167	0	55	0.0	-67.09	416.21	1.26	-65.83
CSC1=C(F)C=CC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750168	0	43	-1.0	-48.25	396.10	1.52	-46.73
CC(CNC(=O)C1CCC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750169	0	41	-1.0	-47.95	360.55	-0.27	-48.22
CC(CNC(=O)C(C)(O)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750170	0	46	-1.0	-45.18	388.01	-2.18	-47.36
CC(CNC(=O)C1CCC(C)(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750171	0	46	-1.0	-48.52	392.35	0.00	-48.52
CC(O)C1=CN(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024750172	0	45	-1.0	-56.16	402.62	-4.77	-60.93
CC(CNC(=O)CC1=CC=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750173	0	42	-1.0	-51.77	375.22	-1.42	-53.19
CC(CNC(=O)CC1CSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750174	0	40	-1.0	-48.54	362.63	-0.24	-48.78
CC1=NNC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1[N+](=O)[O-]	REAL300024750175	0	41	-1.0	-50.74	383.97	-1.74	-52.48
CC(CNC(=O)C1=CN=C2N=CC=CN12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750176	0	41	-1.0	-51.63	369.31	1.40	-50.23
CSC1=C(C)OC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750177	0	43	-1.0	-46.50	398.65	0.25	-46.25
COCCNC(=O)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750178	0	43	-1.0	-48.36	387.31	-5.17	-53.53
CC(CNC(=O)C(C)N1C=CC(C2CC2)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750179	0	49	-1.0	-51.67	425.40	1.04	-50.63
CC(CNC(=O)C1(F)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750180	0	39	-1.0	-45.11	348.04	-0.61	-45.72
CC(C)C1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C	REAL300024750181	0	48	-1.0	-49.22	403.78	-0.37	-49.59
CC(CNC(=O)CSC1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750182	0	42	-1.0	-49.30	388.60	-0.24	-49.54
CC(CNC(=O)C1=NC2=CC=CC=C2S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750183	0	41	-1.0	-48.29	385.73	-0.12	-48.41
CC(CNC(=O)CSC1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750184	0	43	-1.0	-48.23	399.88	1.59	-46.64
CC(CNC(=O)C1=CC=C2NC=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750185	0	42	-1.0	-52.97	375.95	0.01	-52.96
CC(CNC(=O)C1CSCCS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750186	0	41	-1.0	-45.99	378.71	0.13	-45.86
CC(CNC(=O)C1=CC(Cl)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750187	0	38	-1.0	-46.15	364.34	-0.83	-46.98
CCC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024750188	0	48	-1.0	-45.37	412.45	2.19	-43.18
CC(CNC(=O)C=CC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750189	0	37	-1.0	-50.52	344.91	-5.27	-55.79
CC(CNC(=O)C1=CC=C[N+]([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750190	0	39	-1.0	-60.62	357.60	-1.00	-61.62
CC(CNC(=O)C(C)N1C=C(Cl)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750191	0	42	-1.0	-49.86	390.76	-0.52	-50.38
C=CCCCCCCCCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750192	0	57	-1.0	-45.82	478.25	4.10	-41.72
CC(CNC(=O)C1=CC(=O)NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750193	0	38	-1.0	-53.20	352.49	-2.79	-55.99
C#CCSCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750194	0	38	-1.0	-49.76	365.25	-0.07	-49.83
CC(CNC(=O)CSCC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750195	0	46	-1.0	-48.97	419.38	2.43	-46.54
CC(CNC(=O)C1=CC=CN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750196	0	38	-1.0	-48.99	358.00	-0.94	-49.93
CC(CNC(=O)C(C)O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750197	0	36	-1.0	-49.47	326.08	-4.07	-53.54
CC(CNC(=O)C1=C2N=CNC2=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750198	0	42	-1.0	-54.18	381.92	0.25	-53.93
CC(CNC(=O)C1=C2NC=NC2=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750198	1	42	-1.0	-49.77	380.44	0.25	-49.52
CC(CNC(=O)CC1=CN2C=CSC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750199	0	42	-1.0	-56.70	391.47	0.90	-55.80
CC(CNC(=O)C1(O)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750200	0	40	-1.0	-46.08	349.78	-3.69	-49.77
CC(CNC(=O)CSCC1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750201	0	45	-1.0	-51.52	414.37	0.60	-50.92
CC(CNC(=O)C(O)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750202	0	40	-1.0	-46.00	357.73	-2.51	-48.51
CC(CNC(=O)C1=CC=CC=C1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750203	0	43	-1.0	-47.01	375.96	-2.10	-49.11
CC(CNC(=O)C1(C(N)=O)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750204	0	43	-1.0	-48.50	377.81	-4.17	-52.67
CC(CNC(=O)CN1C=NN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750205	0	38	-1.0	-56.63	350.44	0.85	-55.78
CC(CNC(=O)C1CCC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750206	0	46	-1.0	-45.94	395.86	2.16	-43.78
CSC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024750207	0	42	-1.0	-46.84	388.06	-0.17	-47.01
CC(CNC(=O)C1(C(=O)NC2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750208	0	47	-1.0	-48.45	417.24	-1.44	-49.89
CC(CNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750209	0	41	0.0	-63.82	377.60	-1.02	-64.84
CC(CNC(=O)C1=CC=CC(CO)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750210	0	43	-1.0	-49.08	383.15	-2.30	-51.38
C=CCC(C)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750211	0	42	-1.0	-45.33	367.12	-0.02	-45.35
CSCC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024750212	0	43	-1.0	-47.31	401.20	0.44	-46.87
CC(CNC(=O)C(F)(F)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750213	0	35	-1.0	-44.66	344.44	-1.33	-45.99
CC(C[N-]C(=O)C(F)(F)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750213	1	34	-2.0	-80.29	342.50	-2.95	-83.24
CCSC1=CC=CC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750214	0	46	-1.0	-47.71	407.52	2.23	-45.48
CC(CNC(=O)CC1C(=O)N=CNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750215	0	42	-1.0	-57.76	378.47	-2.95	-60.71
CC(CNC(=O)C1=CC=C(NC=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750216	0	43	-1.0	-53.47	384.82	-1.45	-54.92
CC(CNC(=O)C1CC1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750217	0	36	-1.0	-45.63	332.26	-1.05	-46.68
CC(CNC(=O)C1=CC=CC=C1C(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750218	0	42	-1.0	-50.36	375.60	1.33	-49.03
CC(CNC(=O)C1=CC=NC(OCCO)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750219	0	46	-1.0	-51.07	410.95	-5.06	-56.13
CC(CNC(=O)COC1(C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750220	0	46	-1.0	-48.31	392.14	0.21	-48.10
CC(CNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750221	0	48	0.0	-68.32	400.98	-3.20	-71.52
CC(CNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750221	1	48	0.0	-67.98	400.96	-3.22	-71.20
CC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750222	0	44	0.0	-65.56	368.64	-0.80	-66.36
CC(CNC(=O)[C@H](C)N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750222	1	43	-1.0	-45.93	362.61	-3.21	-49.14
CC(CNC(=O)C1=CC=C2OC=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750223	0	41	-1.0	-51.46	371.92	-2.71	-54.17
CC(CNC(=O)CCF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750224	0	35	-1.0	-45.94	321.54	-1.78	-47.72
CC(CNC(=O)CN1C=CN=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750225	0	38	-1.0	-57.04	349.03	-2.79	-59.83
CC(CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750226	0	48	0.0	-64.20	392.48	0.39	-63.81
CC(CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750226	1	48	0.0	-64.95	383.18	0.21	-64.74
CC(CNC(=O)[C@H]1CCCCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750226	1	47	-1.0	-45.73	389.50	-1.82	-47.55
CC(CNC(=O)C1=C2C=C(F)C=CC2=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750227	0	42	-1.0	-48.97	383.77	-0.86	-49.83
CC(CNC(=O)CCC1=NC=C(F)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750228	0	43	-1.0	-47.68	392.77	-0.87	-48.55
C=CC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024750229	0	43	-1.0	-45.09	368.91	0.88	-44.21
CC(CNC(=O)C1(O)COC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750230	0	38	-1.0	-47.91	340.72	-6.45	-54.36
CC(CNC(=O)C1=CC=C(F)N=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750231	0	38	-1.0	-50.52	356.30	-1.48	-52.00
CCC(C)C(O)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750232	0	45	-1.0	-45.96	380.52	-1.85	-47.81
COC1=CC=CC=C1C(O)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750233	0	47	-1.0	-46.02	406.15	-1.14	-47.16
CC(CNC(=O)C1=NC=NC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750234	0	37	-1.0	-46.07	355.33	-1.01	-47.08
CC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)=C1CC1	REAL300024750235	0	40	-1.0	-46.51	357.72	0.32	-46.19
CC(CNC(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750236	0	51	0.0	-69.54	401.82	-2.30	-71.84
CC(CNC(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750236	1	51	0.0	-68.59	403.37	-2.21	-70.80
CC(CNC(=O)C1CN2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750236	1	50	-1.0	-46.01	400.38	-4.58	-50.59
CC(CNC(=O)C[C@H]1CCCC[C@@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750237	0	49	-1.0	-46.83	404.68	-1.93	-48.76
CC(CNC(=O)[C@H](C)N1C=NN=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750238	0	40	-1.0	-54.96	362.38	-1.98	-56.94
CC(CNC(=O)C1=CN=NC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750239	0	37	-1.0	-48.22	357.40	-2.03	-50.25
CC(CNC(=O)COC1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750240	0	43	-1.0	-52.53	388.67	-1.26	-53.79
COC12CCC(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)(CC1)CC2	REAL300024750241	0	53	-1.0	-45.52	421.20	0.17	-45.35
CC(CNC(=O)C1CCCN1N=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750242	0	42	-1.0	-51.55	373.60	-2.61	-54.16
CC(CNC(=O)CCCC1=NC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750243	0	44	-1.0	-49.72	402.64	-0.24	-49.96
CC1=CSC(CCCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750244	0	47	-1.0	-49.95	424.44	0.36	-49.59
CCC1CC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750245	0	42	-1.0	-45.71	368.25	0.30	-45.41
CC(CNC(=O)C1=NN2CCNC(=O)C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750246	0	44	-1.0	-53.54	395.10	-4.26	-57.80
CC(CNC(=O)CN=S(C)(C)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750247	0	42	-1.0	-59.10	383.48	-5.23	-64.33
CC(CNC(=O)CCCCCCN=[N+]=[N-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750248	0	49	-1.0	-46.93	431.07	-2.16	-49.09
CC(O)CCCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750249	0	45	-1.0	-48.21	389.75	-2.88	-51.09
CC1=NOC(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750250	0	41	-1.0	-51.82	371.89	-0.74	-52.56
CC(CNC(=O)CC1=CN=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750251	0	41	-1.0	-48.47	384.31	-0.30	-48.77
CC(CNC(=O)CC1(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750252	0	40	-1.0	-49.03	356.53	-3.86	-52.89
CC(CNC(=O)CCCCC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750253	0	44	-1.0	-47.04	397.57	0.79	-46.25
CC(CNC(=O)CC1=CC=NNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750254	0	41	-1.0	-55.23	373.54	-3.40	-58.63
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C([N+](=O)[O-])O1	REAL300024750255	0	41	-1.0	-48.84	382.45	-0.18	-49.02
CC1=CC(=O)N(CCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024750256	0	47	-1.0	-54.92	416.81	0.48	-54.44
CC(CNC(=O)C1C2CCOCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750257	0	44	-1.0	-46.39	378.77	-1.01	-47.40
CC1=CN(C(C)C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024750258	0	45	-1.0	-50.76	395.56	-0.35	-51.11
CC(C)C(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)N1C=NN=C1	REAL300024750259	0	47	-1.0	-51.69	409.01	2.58	-49.11
CC(CNC(=O)CCC1=CC=C(F)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750260	0	44	-1.0	-49.58	397.62	0.03	-49.55
CC(CNC(=O)C=CCF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750261	0	36	-1.0	-47.56	334.70	-1.20	-48.76
CC(CNC(=O)C1(CC(F)F)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750262	0	45	-1.0	-47.35	389.77	0.53	-46.82
CC(CNC(=O)C(F)CC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750263	0	42	-1.0	-46.38	374.30	0.43	-45.95
CCC(CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024750264	0	48	-1.0	-44.79	400.43	1.50	-43.29
CC1=C2N=C(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2N=C1	REAL300024750265	0	44	-1.0	-49.07	396.85	0.03	-49.04
CC(CNC(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750266	0	47	-1.0	-46.03	405.54	-2.79	-48.82
CC(CNC(=O)C(O)C1=CC=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750267	0	43	-1.0	-48.98	381.69	-3.37	-52.35
CC(CNC(=O)C12COC(C)(C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750268	0	50	-1.0	-46.06	406.33	-0.24	-46.30
CC(CNC(=O)C1=NN(C)C2=C1COCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750269	0	47	-1.0	-50.49	407.53	-1.86	-52.35
CC1=CC=CN=C1C=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750270	0	45	-1.0	-48.71	399.89	0.59	-48.12
CCC(CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024750271	0	51	-1.0	-45.08	414.78	1.94	-43.14
COCC1=CC(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024750272	0	45	-1.0	-53.18	404.79	-1.68	-54.86
CC1=NC(CO)=NC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750273	0	44	-1.0	-50.02	390.03	-4.42	-54.44
CC(CNC(=O)C1(C)CC(C2CC2)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750274	0	47	-1.0	-48.89	410.86	-0.06	-48.95
CC(C)C1=C(F)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1	REAL300024750275	0	48	-1.0	-49.24	413.69	2.33	-46.91
CC(CNC(=O)C1=CC(C(C)(C)C)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750276	0	50	-1.0	-46.77	424.35	1.01	-45.76
COC1C[N@@H+]2CCCC2(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750277	0	53	0.0	-65.77	428.09	-0.16	-65.93
COC1C[N@H+]2CCCC2(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750277	1	53	0.0	-63.90	428.44	-0.24	-64.14
CC(CNC(=O)C=CC1=NC=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750278	0	40	-1.0	-50.60	367.28	-1.48	-52.08
CC(=CC1=CC=C(F)C=C1)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750279	0	46	-1.0	-46.70	403.93	2.22	-44.48
CC(CNC(=O)C1=CC=CC2=CN=NN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750280	0	41	-1.0	-55.35	369.67	-0.92	-56.27
CC(=O)NC1(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024750281	0	46	-1.0	-49.36	405.17	-1.95	-51.31
CNC(=O)N[C@@H](C)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750282	0	44	-1.0	-50.63	388.03	-4.72	-55.35
CC(CNC(=O)C1CC(C2CC2)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750283	0	44	-1.0	-51.98	391.60	0.35	-51.63
CC(CNC(=O)C12CCC(F)(CC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750284	0	46	-1.0	-46.42	390.15	0.92	-45.50
CC(CNC(=O)C1CC(C2CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750285	0	49	-1.0	-45.47	409.96	2.02	-43.45
CC(CNC(=O)C1=CN=C2OCCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750286	0	46	-1.0	-50.81	399.09	-2.11	-52.92
CCC(CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)OC	REAL300024750287	0	45	-1.0	-47.18	383.12	-0.37	-47.55
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1CCC1	REAL300024750288	0	49	-1.0	-49.15	419.00	0.83	-48.32
CC(CNC(=O)CC1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750289	0	46	0.0	-68.45	404.94	2.99	-65.46
CC(CNC(=O)CC1=CC2=CN=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750289	1	45	-1.0	-52.70	401.51	2.47	-50.23
COCC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC=CCC1	REAL300024750290	0	50	-1.0	-46.78	416.45	0.01	-46.77
CC(CNC(=O)C1=CC=C(C(F)F)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750291	0	41	-1.0	-47.65	381.78	-0.41	-48.06
CC(CNC(=O)C1=C(Cl)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750292	0	37	-1.0	-47.46	353.01	-0.08	-47.54
CCCC1=CC=C(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024750293	0	51	-1.0	-47.38	439.35	3.29	-44.09
CC1=NN=NN1CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750294	0	40	-1.0	-57.15	365.84	-2.52	-59.67
CC(CNC(=O)C1=CC=CC2=NN=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750295	0	41	-1.0	-53.73	368.24	1.33	-52.40
CC(CNC(=O)[C@@H]1C[C@@H]1C1=NN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750296	0	42	-1.0	-55.03	375.14	-0.47	-55.50
CC(CNC(=O)[C@@H]1C[C@@H]1C1=NNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750296	1	42	-1.0	-51.87	374.51	-0.15	-52.02
CC(CNC(=O)C1COC2COCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750297	0	45	-1.0	-47.49	382.35	-3.30	-50.79
CC(CNC(=O)[C@]12C[C@H]1[C@H](F)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750298	0	40	-1.0	-47.80	360.51	0.14	-47.66
CC(CNC(=O)C1=CN=CC(C(C)(C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750299	0	50	-1.0	-47.17	421.83	0.89	-46.28
CC(CNC(=O)CCC1=CC=CC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750300	0	45	-1.0	-53.92	401.00	-1.34	-55.26
CCC1=NNC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1[N+](=O)[O-]	REAL300024750301	0	44	-1.0	-50.59	405.46	-1.00	-51.59
CC(CNC(=O)C1=CC=CC=C1NC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750302	0	45	-1.0	-50.22	396.06	-2.99	-53.21
CC(CNC(=O)CC1=CC=C(Cl)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750303	0	41	-1.0	-50.27	386.67	-0.29	-50.56
CC(CNC(=O)C1=CCCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750304	0	41	-1.0	-47.13	357.65	-1.78	-48.91
CCN1N=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024750305	0	45	-1.0	-49.29	397.09	-0.48	-49.77
CC(CNC(=O)C1(C)CC1(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750306	0	39	-1.0	-48.09	354.13	-0.35	-48.44
CC1=C(Cl)C=NN1CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750307	0	42	-1.0	-51.06	393.28	-0.55	-51.61
CCC1=NOC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750308	0	41	-1.0	-47.43	372.46	-0.86	-48.29
CC(CNC(=O)C(O)C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750309	0	45	-1.0	-45.55	376.17	-2.91	-48.46
CC(CNC(=O)CC1=CSC(NC=O)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750310	0	42	-1.0	-55.14	393.01	-2.51	-57.65
CCCCN1N=CC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750311	0	48	-1.0	-46.85	415.35	0.51	-46.34
CC(CNC(=O)C1CCSCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750312	0	43	-1.0	-46.12	375.46	0.38	-45.74
CC(CNC(=O)C1=C2OC=NC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750313	0	41	-1.0	-52.59	371.68	-2.16	-54.75
C#CCCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750314	0	37	-1.0	-46.40	342.23	-0.63	-47.03
CCN1[N-]C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024750315	0	42	-2.0	-90.23	385.33	-2.59	-92.82
CC(CNC(=O)C[N@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750316	0	49	0.0	-72.63	409.87	1.02	-71.61
CC(CNC(=O)C[N@@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750316	1	49	0.0	-72.69	411.26	1.04	-71.65
CC(CNC(=O)CN(C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750316	1	48	-1.0	-47.18	407.78	-1.16	-48.34
CC(CNC(=O)CN1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750317	0	41	-1.0	-47.13	356.31	-3.99	-51.12
CC(CNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750317	1	42	0.0	-67.17	360.63	-0.77	-67.94
CC(C)C(O)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750318	0	45	-1.0	-48.08	381.55	-2.03	-50.11
COC1=NOC(C)=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750319	0	42	-1.0	-49.39	384.67	-3.38	-52.77
CC(CNC(=O)C1=C(Cl)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750320	0	40	-1.0	-46.36	365.28	0.48	-45.88
CCC(CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)SC	REAL300024750321	0	45	-1.0	-46.92	391.11	0.45	-46.47
CC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024750322	0	41	-1.0	-47.24	369.00	-0.68	-47.92
CC(CNC(=O)CC1=CC(=O)NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750323	0	40	-1.0	-58.09	364.87	-4.46	-62.55
CCC1=CSC(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750324	0	44	-1.0	-49.60	402.68	-0.44	-50.04
CC(CNC(=O)C(O)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750325	0	48	-1.0	-45.73	399.30	-1.22	-46.95
CC(CNC(=O)C1CCCC2=C1C=CS2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750326	0	46	-1.0	-46.69	404.89	1.73	-44.96
CC(CNC(=O)C1=CN=C(F)C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750327	0	38	-1.0	-48.08	356.39	-1.37	-49.45
CC(CNC(=O)CC1=CC=C2NC=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750328	0	46	-1.0	-51.24	406.33	1.10	-50.14
CC(CNC(=O)CC1CSCCS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750329	0	44	-1.0	-47.52	397.36	0.91	-46.61
CC(CNC(=O)C(F)(F)C1(O)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750330	0	43	-1.0	-45.67	381.19	-3.12	-48.79
CC(CNC(=O)C1=CC2=CC=NC=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750331	0	42	-1.0	-48.33	378.82	-1.41	-49.74
CCCC(C)(O)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750332	0	45	-1.0	-45.36	383.75	-3.02	-48.38
CCOC(C)(C)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750333	0	45	-1.0	-48.23	381.26	-0.45	-48.68
CC(CNC(=O)CC1=CC=CN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750334	0	41	-1.0	-50.99	383.89	-0.38	-51.37
CC1=NC(Cl)=CC=C1CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750335	0	44	-1.0	-50.43	403.65	0.16	-50.27
CC(CNC(=O)C1=CC2=CC=CC=C2C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750336	0	44	-1.0	-48.59	393.75	0.95	-47.64
CC(CNC(=O)C1=CC=NC(Cl)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750337	0	38	-1.0	-49.62	366.49	-0.88	-50.50
CC(CNC(=O)CC1CCSCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750338	0	46	-1.0	-46.27	394.67	1.02	-45.25
CC(CNC(=O)C(CO)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750339	0	46	-1.0	-47.18	399.66	-1.24	-48.42
CC1=CC(Cl)=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024750340	0	41	-1.0	-47.65	379.67	-0.27	-47.92
CC(CNC(=O)[C@@H]1C[C@@H]1C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750341	0	46	-1.0	-46.41	394.87	2.33	-44.08
CC(CNC(=O)C1=NC2=NC=CN=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750342	0	42	-1.0	-52.44	383.65	-2.04	-54.48
CC(CNC(=O)C1(C)CC1Br)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750343	0	39	-1.0	-45.99	359.87	0.13	-45.86
CC(CNC(=O)CSCC1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750344	0	45	-1.0	-50.46	414.26	0.68	-49.78
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)SC(CO)=N1	REAL300024750345	0	42	-1.0	-48.45	387.86	-4.50	-52.95
CC(CNC(=O)C1=CC=CC(=S)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750346	0	39	-2.0	-114.67	371.98	0.89	-113.78
CC(=CC1=CC=CN=C1)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750347	0	45	-1.0	-47.89	392.56	0.41	-47.48
CC(CNC(=O)CC(F)(F)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750348	0	45	-1.0	-49.81	404.35	1.95	-47.86
CC(CNC(=O)C1(C2=NC=CC=C2F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750349	0	45	-1.0	-48.72	405.68	0.60	-48.12
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024750350	0	46	-1.0	-44.80	381.40	1.30	-43.50
COCC1=NNC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750351	0	42	-1.0	-48.22	383.62	-3.64	-51.86
CC(CNC(=O)C1=CC=NC(CN(C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750352	0	49	-1.0	-47.36	422.24	-1.69	-49.05
CC(CNC(=O)C1=CC=NC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750352	1	50	0.0	-68.62	424.68	0.83	-67.79
CC(CNC(=O)C1(C2=CC=CN=C2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750353	0	48	-1.0	-46.49	411.92	0.94	-45.55
CC(CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750354	0	46	0.0	-70.86	389.39	0.34	-70.52
CC(CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750354	1	46	0.0	-70.89	389.38	0.34	-70.55
CC(CNC(=O)C1=CC=NC2=C1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750355	0	45	-1.0	-47.79	388.20	0.46	-47.33
CC(CNC(=O)C=CCN1C=NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750356	0	42	-1.0	-54.01	385.25	1.12	-52.89
CC(C)C1CCC(C)CC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750357	0	57	-1.0	-44.05	441.70	2.74	-41.31
CC(CNC(=O)C=CC1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750358	0	52	-1.0	-45.35	423.97	2.39	-42.96
CSC1=CC=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750359	0	42	-1.0	-46.18	391.04	-0.17	-46.35
CC(CNC(=O)CC1SC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750360	0	39	-2.0	-86.47	374.57	-6.07	-92.54
CC1=NN=C(CCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024750361	0	43	-1.0	-50.90	388.46	-5.20	-56.10
CC(CNC(=O)C1=NN(CCF)C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750362	0	44	-1.0	-48.90	401.23	-1.47	-50.37
CC1=C(C)NC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750363	0	42	-1.0	-48.76	375.04	-1.76	-50.52
CC(=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)CN1CCOCC1	REAL300024750364	0	52	-1.0	-46.68	432.52	-2.19	-48.87
CC(CNC(=O)C1=NC=C2C(F)=CC=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750365	0	42	-1.0	-50.07	384.09	0.96	-49.11
CCOC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024750366	0	46	-1.0	-44.97	392.52	-0.94	-45.91
CCOC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024750367	0	50	-1.0	-44.70	409.19	-1.99	-46.69
CC1=NSC(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750368	0	41	-1.0	-50.21	381.51	-0.51	-50.72
CC(CNC(=O)C1=C(C2CCC2)OC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750369	0	45	-1.0	-47.65	395.06	-2.09	-49.74
CC(O)C1=CC=CC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750370	0	46	-1.0	-46.64	394.18	-1.42	-48.06
CC(=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300024750371	0	43	-1.0	-46.70	384.42	0.45	-46.25
CC1=NN(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)O1	REAL300024750372	0	41	-1.0	-55.16	379.26	-4.09	-59.25
CC(CNC(=O)C1=C2SC=CN2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750373	0	39	-1.0	-52.02	370.44	-0.89	-52.91
CC(CNC(=O)C1=CC(F)=CNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750374	0	39	-1.0	-52.17	358.93	-2.32	-54.49
CC(CNC(=O)CC1(C)CC1(F)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750375	0	42	-1.0	-45.43	386.17	0.62	-44.81
CC(CNC(=O)C12CC1COC2(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750376	0	47	-1.0	-45.68	397.41	-0.44	-46.12
C#C[C@H]1C[C@H]1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750377	0	38	-1.0	-48.04	348.33	0.02	-48.02
CCN1CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300024750378	0	49	-1.0	-50.34	414.12	-0.39	-50.73
CC(CNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750379	0	38	-2.0	-93.03	358.11	-5.02	-98.05
CC(CNC(=O)C1C[NH+](C2CCCCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750380	0	55	0.0	-67.28	441.95	2.16	-65.12
CC(CNC(=O)C1(N=[N+]=[N-])CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750381	0	38	-1.0	-45.25	348.68	-4.07	-49.32
CON1CCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024750382	0	48	-1.0	-47.18	399.67	-2.23	-49.41
CC(CNC(=O)CN1CCN(C2CC2)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750383	0	49	-1.0	-56.13	422.67	0.29	-55.84
CC(CNC(=O)C(C)NC(=O)C1=CC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750384	0	46	-1.0	-50.75	413.09	-2.28	-53.03
CC(CNC(=O)C(CO)NC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750385	0	42	-1.0	-50.95	377.01	-9.48	-60.43
CC(CNC(=O)CSC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750386	0	43	-1.0	-48.23	393.48	1.52	-46.71
CC(CNC(=O)C1CC1(Cl)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750387	0	36	-1.0	-46.10	358.47	-0.12	-46.22
CC(CNC(=O)CSC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750388	0	45	-1.0	-47.19	394.34	0.50	-46.69
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750389	0	44	-1.0	-52.48	396.06	2.73	-49.75
CC(=O)NC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024750390	0	48	-1.0	-48.37	405.49	-2.01	-50.38
CC(CNC(=O)C1=CC(C(C)(F)F)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750391	0	42	-1.0	-47.95	387.51	-1.57	-49.52
CC(CNC(=O)C1=CNC(=O)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750392	0	36	-1.0	-52.60	339.25	-4.35	-56.95
CC(CNC(=O)C12CCC(C)(CC1)CO2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750393	0	50	-1.0	-45.25	409.04	-0.12	-45.37
CC(CNC(=O)[C@@H]1C[C@H]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750394	0	45	-1.0	-45.61	387.32	0.85	-44.76
CC(CNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750395	0	48	0.0	-67.99	406.41	-0.15	-68.14
CC1=NN(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1C	REAL300024750396	0	48	-1.0	-52.64	416.49	0.09	-52.55
CC(CNC(=O)C1=CC=NC2=NNC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750397	0	41	-1.0	-53.02	370.62	-1.63	-54.65
CC(CNC(=O)C1=CN=C(Cl)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750398	0	36	-1.0	-46.67	349.37	-2.32	-48.99
CCCC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024750399	0	46	-1.0	-46.39	402.35	0.26	-46.13
CC(CNC(=O)C=CCOC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750400	0	47	-1.0	-48.69	418.08	1.28	-47.41
CCCCC[N@H+](C)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750401	0	56	0.0	-69.68	455.13	2.33	-67.35
CCCCC[N@@H+](C)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750401	1	56	0.0	-69.70	455.13	2.32	-67.38
CC(CNC(=O)C(C)(C)C1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750402	0	47	-1.0	-48.06	401.29	0.23	-47.83
CC(CNC(=O)C1=CC2CCCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750403	0	44	-1.0	-45.71	380.14	1.20	-44.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC=C(O)C=N1	REAL300024756150	0	42	-1.0	-52.44	379.45	-3.41	-55.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCCCN1C=NN=N1	REAL300024756151	0	49	-1.0	-57.65	430.38	0.59	-57.06
CNC1=CC=C(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1N	REAL300024756152	0	46	-1.0	-48.49	396.92	-2.64	-51.13
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC(N)=C1[N+](=O)[O-]	REAL300024756153	0	42	-1.0	-54.82	386.93	-0.91	-55.73
COC1=CC=CN=C1C(C)C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756154	0	48	-1.0	-50.44	416.04	-0.58	-51.02
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2C(=C1)C=CN2C	REAL300024756155	0	46	-1.0	-50.43	403.96	2.16	-48.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300024756156	0	51	0.0	-70.58	401.79	1.06	-69.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NN1CCF	REAL300024756157	0	42	-1.0	-47.44	378.94	-0.87	-48.31
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CN(CCNC(=O)C12CCC(F)(CC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787155	0	46	-1.0	-52.93	388.43	1.99	-50.94
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CN(CCNC(=O)C1=CN=C2OCCCC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787157	0	46	-1.0	-53.97	397.10	-1.05	-55.02
CCC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)OC	REAL300024787158	0	45	-1.0	-53.64	381.40	0.70	-52.94
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CN(CCNC(=O)CC1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787160	0	46	0.0	-72.51	402.95	4.04	-68.47
CN(CCNC(=O)CC1=CC2=CN=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787160	1	45	-1.0	-57.49	399.80	3.55	-53.94
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CN(CCNC(=O)C1=CC=C(C(F)F)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787162	0	41	-1.0	-52.76	379.79	0.65	-52.11
CN(CCNC(=O)C1=C(Cl)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787163	0	37	-1.0	-54.37	351.02	0.98	-53.39
CCCC1=CC=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024787164	0	51	-1.0	-52.84	437.63	4.36	-48.48
CC1=NN=NN1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787165	0	40	-1.0	-65.01	363.85	-1.47	-66.48
CN(CCNC(=O)C1=CC=CC2=NN=CN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787166	0	41	-1.0	-61.98	366.26	2.39	-59.59
CN(CCNC(=O)[C@@H]1C[C@@H]1C1=NN=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787167	0	42	-1.0	-63.54	373.14	0.59	-62.95
CN(CCNC(=O)[C@@H]1C[C@@H]1C1=NNC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787167	1	42	-1.0	-57.76	372.52	0.91	-56.85
CN(CCNC(=O)C1COC2COCC21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787168	0	45	-1.0	-56.17	375.31	-2.04	-58.21
CN(CCNC(=O)[C@]12C[C@H]1[C@H](F)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787169	0	40	-1.0	-54.01	358.81	1.22	-52.79
CN(CCNC(=O)C1=CN=CC(C(C)(C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787170	0	50	-1.0	-51.56	419.84	1.95	-49.61
CN(CCNC(=O)CCC1=CC=CC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787171	0	45	-1.0	-57.32	399.01	-0.29	-57.61
CCC1=NNC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1[N+](=O)[O-]	REAL300024787172	0	44	-1.0	-56.95	403.74	0.07	-56.88
CN(CCNC(=O)C1=CC=CC=C1NC(N)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787173	0	45	-1.0	-54.45	394.34	-1.92	-56.37
CN(CCNC(=O)CC1=CC=C(Cl)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787174	0	41	-1.0	-56.54	384.69	0.76	-55.78
CN(CCNC(=O)C1=CCCOC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787175	0	41	-1.0	-52.36	355.68	-0.73	-53.09
CCN1N=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024787176	0	45	-1.0	-54.40	395.10	0.58	-53.82
CN(CCNC(=O)C1(C)CC1(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787177	0	39	-1.0	-54.78	352.14	0.71	-54.07
CC1=C(Cl)C=NN1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787178	0	42	-1.0	-58.04	391.29	0.50	-57.54
CCC1=NOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787179	0	41	-1.0	-49.48	370.48	0.20	-49.28
CN(CCNC(=O)C(O)C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787180	0	45	-1.0	-51.23	374.46	-1.84	-53.07
CN(CCNC(=O)CC1=CSC(NC=O)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787181	0	42	-1.0	-60.81	391.02	-1.46	-62.27
CCCCN1N=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787182	0	48	-1.0	-51.45	413.37	1.57	-49.88
CN(CCNC(=O)C1CCSCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787183	0	43	-1.0	-51.59	373.75	1.45	-50.14
CN(CCNC(=O)C1=C2OC=NC2=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787184	0	41	-1.0	-60.10	369.70	-1.11	-61.21
C#CCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787185	0	37	-1.0	-51.32	340.51	0.44	-50.88
CCN1[N-]C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024787186	0	42	-2.0	-93.18	383.35	-1.53	-94.71
CN(CCNC(=O)C[N@H+](C)C1CCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787187	0	49	0.0	-77.50	408.15	2.10	-75.40
CN(CCNC(=O)C[N@@H+](C)C1CCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787187	1	49	0.0	-77.91	409.27	2.09	-75.82
CN(CCNC(=O)CN(C)C1CCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787187	1	48	-1.0	-51.77	406.07	-0.08	-51.85
CN(CCNC(=O)CN1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787188	0	41	-1.0	-53.31	354.60	-2.92	-56.23
CN(CCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787188	1	42	0.0	-72.66	358.92	0.30	-72.36
CC(C)C(O)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787189	0	45	-1.0	-54.64	382.07	-1.19	-55.83
COC1=NOC(C)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787190	0	42	-1.0	-52.03	382.68	-2.32	-54.35
CN(CCNC(=O)C1=C(Cl)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787191	0	40	-1.0	-52.97	363.29	1.54	-51.43
CCC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)SC	REAL300024787192	0	45	-1.0	-53.34	389.39	1.51	-51.83
CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024787193	0	41	-1.0	-51.71	367.01	0.38	-51.33
CN(CCNC(=O)CC1=CC(=O)NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787194	0	40	-1.0	-62.89	362.89	-3.41	-66.30
CCC1=CSC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787195	0	44	-1.0	-54.45	400.97	0.62	-53.83
CN(CCNC(=O)C(O)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787196	0	48	-1.0	-51.30	397.58	-0.14	-51.44
CN(CCNC(=O)C1CCCC2=C1C=CS2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787197	0	46	-1.0	-52.28	403.17	2.80	-49.48
CN(CCNC(=O)C1=CN=C(F)C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787198	0	38	-1.0	-53.06	354.40	-0.32	-53.38
CN(CCNC(=O)CC1=CC=C2NC=CC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787199	0	46	-1.0	-56.36	404.61	2.18	-54.18
CN(CCNC(=O)CC1CSCCS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787200	0	44	-1.0	-54.05	395.38	1.97	-52.08
CN(CCNC(=O)C(F)(F)C1(O)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787201	0	43	-1.0	-49.32	379.47	-2.04	-51.36
CN(CCNC(=O)C1=CC2=CC=NC=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787202	0	42	-1.0	-52.93	377.11	-0.34	-53.27
CCCC(C)(O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787203	0	45	-1.0	-49.20	382.03	-1.95	-51.15
CCOC(C)(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787204	0	45	-1.0	-55.00	379.54	0.64	-54.36
CN(CCNC(=O)CC1=CC=CN=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787205	0	41	-1.0	-57.89	381.90	0.68	-57.21
CC1=NC(Cl)=CC=C1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787206	0	44	-1.0	-55.85	401.94	1.23	-54.62
CN(CCNC(=O)C1=CC2=CC=CC=C2C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787207	0	44	-1.0	-53.62	391.76	2.01	-51.61
CN(CCNC(=O)C1=CC=NC(Cl)=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787208	0	38	-1.0	-57.40	364.51	0.18	-57.22
CN(CCNC(=O)CC1CCSCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787209	0	46	-1.0	-51.87	392.95	2.08	-49.79
CN(CCNC(=O)C(CO)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787210	0	46	-1.0	-52.26	397.95	-0.18	-52.44
CC1=CC(Cl)=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024787211	0	41	-1.0	-52.61	377.68	0.78	-51.83
CN(CCNC(=O)[C@@H]1C[C@@H]1C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787212	0	46	-1.0	-52.36	393.20	3.41	-48.95
CN(CCNC(=O)C1=NC2=NC=CN=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787213	0	42	-1.0	-55.25	381.66	-0.98	-56.23
CN(CCNC(=O)C1(C)CC1Br)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787214	0	39	-1.0	-52.33	358.15	1.20	-51.13
CN(CCNC(=O)CSCC1=CC=NC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787215	0	45	-1.0	-56.93	412.27	1.73	-55.20
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)SC(CO)=N1	REAL300024787216	0	42	-1.0	-53.43	386.14	-3.42	-56.85
CN(CCNC(=O)C1=CC=CC(=S)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024787217	0	39	-2.0	-127.55	370.26	1.97	-125.58
CC(=CC1=CC=CN=C1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787218	0	45	-1.0	-54.20	390.58	1.47	-52.73
CN(CCNC(=O)CC(F)(F)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787219	0	45	-1.0	-56.13	402.64	3.03	-53.10
CN(CCNC(=O)C1(C2=NC=CC=C2F)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787220	0	45	-1.0	-53.98	405.78	1.65	-52.33
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024787221	0	46	-1.0	-50.26	379.68	2.39	-47.87
COCC1=NNC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787222	0	42	-1.0	-50.75	381.91	-2.57	-53.32
CN(C)CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024787223	0	49	-1.0	-52.99	420.58	-0.95	-53.94
CN(CCNC(=O)C1=CC=NC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787223	1	50	0.0	-74.21	422.68	1.51	-72.70
CN(CCNC(=O)C1(C2=CC=CN=C2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787224	0	48	-1.0	-51.29	410.93	1.88	-49.41
CN(CCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787225	0	46	0.0	-76.87	387.40	1.40	-75.47
CN(CCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787225	1	46	0.0	-77.24	386.44	1.42	-75.82
CN(CCNC(=O)C1=CC=NC2=C1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787226	0	45	-1.0	-52.94	386.48	1.54	-51.40
CN(CCNC(=O)C=CCN1C=NC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787227	0	42	-1.0	-60.64	383.26	2.18	-58.46
CC(C)C1CCC(C)CC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787228	0	57	-1.0	-50.68	439.71	3.81	-46.87
CN(CCNC(=O)C=CC1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787229	0	52	-1.0	-50.97	422.26	3.47	-47.50
CSC1=CC=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787230	0	42	-1.0	-50.70	389.05	0.89	-49.81
CN(CCNC(=O)CC1SC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787231	0	39	-2.0	-91.30	372.58	-5.02	-96.32
CC1=NN=C(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024787232	0	43	-1.0	-55.80	386.75	-4.13	-59.93
CN(CCNC(=O)C1=NN(CCF)C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787233	0	44	-1.0	-51.26	399.51	-0.38	-51.64
CC1=C(C)NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787234	0	42	-1.0	-51.65	373.05	-0.71	-52.36
CC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)CN1CCOCC1	REAL300024787235	0	52	-1.0	-51.57	430.80	-1.11	-52.68
CN(CCNC(=O)C1=NC=C2C(F)=CC=CN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787236	0	42	-1.0	-52.06	382.10	2.03	-50.03
CCOC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024787237	0	46	-1.0	-49.19	390.53	0.12	-49.07
CCOC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024787238	0	50	-1.0	-49.11	407.37	-0.96	-50.07
CC1=NSC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787239	0	41	-1.0	-56.52	379.53	0.55	-55.97
CN(CCNC(=O)C1=C(C2CCC2)OC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787240	0	45	-1.0	-51.41	393.34	-1.01	-52.42
CC(O)C1=CC=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787241	0	46	-1.0	-53.65	390.39	-0.27	-53.92
CC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300024787242	0	43	-1.0	-50.92	382.43	1.51	-49.41
CC1=NN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)O1	REAL300024787243	0	41	-1.0	-59.79	377.54	-3.03	-62.82
CN(CCNC(=O)C1=C2SC=CN2N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787244	0	39	-1.0	-57.29	368.45	0.17	-57.12
CN(CCNC(=O)C1=CC(F)=CNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787245	0	39	-1.0	-57.33	356.94	-1.26	-58.59
CN(CCNC(=O)CC1(C)CC1(F)Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787246	0	42	-1.0	-49.07	384.46	1.70	-47.37
CN(CCNC(=O)C12CC1COC2(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787247	0	47	-1.0	-50.80	395.43	0.63	-50.17
C#C[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787248	0	38	-1.0	-54.44	346.62	1.09	-53.35
CCN1CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300024787249	0	49	-1.0	-54.90	412.13	0.68	-54.22
CN(CCNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787250	0	38	-2.0	-96.15	356.39	-3.94	-100.09
CN(CCNC(=O)C1C[NH+](C2CCCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787251	0	55	0.0	-74.32	439.97	3.21	-71.11
CN(CCNC(=O)C1(N=[N+]=[N-])CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787252	0	38	-1.0	-47.69	346.69	-3.01	-50.70
CON1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024787253	0	48	-1.0	-53.05	397.95	-1.15	-54.20
CN(CCNC(=O)CN1CCN(C2CC2)C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787254	0	49	-1.0	-63.75	420.68	1.33	-62.42
CC(NC(=O)C1=CC=CO1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787255	0	46	-1.0	-54.72	411.11	-1.21	-55.93
CN(CCNC(=O)C(CO)NC(N)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787256	0	42	-1.0	-55.55	375.30	-8.40	-63.95
CN(CCNC(=O)CSC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787257	0	43	-1.0	-54.09	391.77	2.60	-51.49
CN(CCNC(=O)C1CC1(Cl)Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787258	0	36	-1.0	-49.88	356.48	0.93	-48.95
CN(CCNC(=O)CSC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787259	0	45	-1.0	-53.34	392.63	1.58	-51.76
CC1=CC=C([N+](=O)[O-])C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787260	0	44	-1.0	-61.94	394.08	3.79	-58.15
CC(=O)NC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024787261	0	48	-1.0	-51.92	402.57	-0.92	-52.84
CN(CCNC(=O)C1=CC(C(C)(F)F)=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787262	0	42	-1.0	-53.15	385.52	-0.51	-53.66
CN(CCNC(=O)C1=CNC(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787263	0	36	-1.0	-53.02	337.54	-3.26	-56.28
CN(CCNC(=O)C12CCC(C)(CC1)CO2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787264	0	50	-1.0	-49.38	407.05	0.94	-48.44
CC(C)[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787265	0	45	-1.0	-51.47	385.34	1.90	-49.57
CN(CCNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787266	0	48	0.0	-74.15	404.69	0.93	-73.22
CC1=NN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(C)=C1C	REAL300024787267	0	48	-1.0	-57.74	414.57	1.16	-56.58
CN(CCNC(=O)C1=CC=NC2=NNC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787268	0	41	-1.0	-57.74	368.63	-0.57	-58.31
CN(CCNC(=O)C1=CN=C(Cl)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787269	0	36	-1.0	-51.53	347.38	-1.27	-52.80
CCCC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024787270	0	46	-1.0	-52.96	400.36	1.32	-51.64
CN(CCNC(=O)C=CCOC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787271	0	47	-1.0	-55.12	416.37	2.35	-52.77
CCCCC[N@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787272	0	56	0.0	-76.06	453.41	3.40	-72.66
CCCCC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787272	1	56	0.0	-76.17	453.41	3.39	-72.78
CN(CCNC(=O)C(C)(C)C1=CC=NC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787273	0	47	-1.0	-54.25	399.58	1.31	-52.94
CN(CCNC(=O)C1=CC2CCCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787274	0	44	-1.0	-51.61	378.43	2.28	-49.33
CNC(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793150	0	44	-1.0	-53.83	381.40	-4.00	-57.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C2CC2)=NO1	REAL300024793151	0	44	-1.0	-58.83	386.11	1.24	-57.59
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC(F)(CC1)C2	REAL300024793152	0	46	-1.0	-52.87	379.71	1.62	-51.25
CNC1=CN=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793153	0	43	-1.0	-52.45	374.80	-2.06	-54.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C2CCC2)C1	REAL300024793154	0	49	-1.0	-51.15	407.22	3.01	-48.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=CC=C(N)N=C1	REAL300024793155	0	46	-1.0	-52.39	404.65	-0.13	-52.52
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C2OCCCC2=C1	REAL300024793156	0	46	-1.0	-54.00	393.48	-1.53	-55.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(N)N(C2CC2)N=C1	REAL300024793157	0	45	-1.0	-52.39	393.69	-0.62	-53.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300024793158	0	41	-2.0	-92.40	380.14	-3.21	-95.61
CCC(CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)OC	REAL300024793159	0	45	-1.0	-51.77	381.93	0.36	-51.41
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1CCC1	REAL300024793160	0	49	-1.0	-52.73	414.48	1.47	-51.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300024793161	0	46	0.0	-71.20	403.22	4.02	-67.18
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC2=CN=CN2C=C1	REAL300024793161	1	45	-1.0	-57.93	399.79	3.52	-54.41
COCC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC=CCC1	REAL300024793162	0	50	-1.0	-54.50	404.70	0.77	-53.73
CC(=O)CC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024793163	0	50	-1.0	-59.44	402.70	2.84	-56.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C(=O)NC2CC2)CCC1	REAL300024793164	0	50	-1.0	-48.72	423.49	-0.21	-48.93
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)N1C=CC=N1	REAL300024793165	0	45	-1.0	-60.38	379.88	0.28	-60.10
COC(=O)N[C@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024793166	0	49	-1.0	-50.39	411.50	-1.50	-51.89
COC(=O)NC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024793167	0	49	-1.0	-50.36	411.50	-1.50	-51.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC1CCCO1	REAL300024793168	0	47	-1.0	-56.02	414.60	0.83	-55.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(N)C=N1	REAL300024793169	0	40	-1.0	-52.49	357.94	-1.79	-54.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([N+](=O)[O-])C=N1	REAL300024793170	0	40	-1.0	-49.51	371.30	0.98	-48.53
CCC(=CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024793171	0	49	-1.0	-49.23	417.36	4.03	-45.20
CCSC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024793172	0	48	-1.0	-52.39	402.42	2.09	-50.30
COC(=O)N1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793173	0	47	-1.0	-58.29	404.85	-0.39	-58.68
CC1=CC(C)=C(O)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793174	0	46	-1.0	-54.10	399.59	0.25	-53.85
CCSC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024793175	0	45	-1.0	-52.44	405.56	1.34	-51.10
CCCC(NC(N)=O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793176	0	47	-1.0	-51.38	396.52	-4.30	-55.68
COC1=CC=C(C)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024793177	0	48	-1.0	-51.47	413.76	-0.94	-52.41
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CSC=N1	REAL300024793178	0	35	-1.0	-51.57	333.47	-1.01	-52.58
CCCCC1=CSC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793179	0	47	-1.0	-56.85	416.91	0.93	-55.92
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)N=C1N	REAL300024793180	0	40	-1.0	-51.39	371.34	-1.30	-52.69
CC(C1=CC=CC=C1)C(O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793181	0	49	-1.0	-51.34	412.04	0.93	-50.41
CCC(NC1=CC=CC=C1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793182	0	50	-1.0	-51.38	410.28	1.15	-50.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC1=NC=CS1	REAL300024793183	0	40	-1.0	-50.44	372.94	-1.32	-51.76
CNC(=O)NC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024793184	0	51	-1.0	-60.60	419.99	-1.58	-62.18
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793185	0	44	-1.0	-52.24	394.02	2.33	-49.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(F)=C1N	REAL300024793186	0	40	-1.0	-52.50	360.20	-2.65	-55.15
CC1=CN=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024793187	0	44	-1.0	-51.49	382.04	1.49	-50.00
CC1OC(=O)NC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793188	0	41	-1.0	-59.72	362.68	-3.76	-63.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCOC1=O	REAL300024793189	0	41	-1.0	-59.91	368.48	-1.13	-61.04
CC=C(CC)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793190	0	42	-1.0	-51.08	367.31	0.95	-50.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCCC1CCC2	REAL300024793191	0	49	-1.0	-51.41	388.03	2.13	-49.28
CC1=C(F)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024793192	0	39	-1.0	-55.60	356.61	-1.20	-56.80
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C1=CCOCC1	REAL300024793193	0	44	-1.0	-51.72	383.73	-0.35	-52.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC12CC(C1)C2	REAL300024793194	0	43	-1.0	-51.32	366.83	1.84	-49.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC1(C)Br	REAL300024793195	0	39	-1.0	-52.02	361.41	1.14	-50.88
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC=C(F)C1=O	REAL300024793196	0	39	-1.0	-77.38	364.38	-0.98	-78.36
CC1=CC=CN2N=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=C12	REAL300024793197	0	45	-1.0	-54.89	398.07	2.02	-52.87
C#CCC(CC#C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793198	0	42	-1.0	-51.24	372.45	1.61	-49.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C1=CN=CC=N1	REAL300024793199	0	40	-1.0	-52.31	368.85	-0.93	-53.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=CC(O)=C1O	REAL300024793200	0	41	-1.0	-58.77	380.29	-3.61	-62.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300024793200	1	40	-2.0	-97.64	376.73	-2.68	-100.32
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)C=C1[O-]	REAL300024793201	0	40	-2.0	-103.83	371.04	0.87	-102.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)C=C1O	REAL300024793201	1	41	-1.0	-55.25	375.69	-0.27	-55.52
CCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)O	REAL300024793202	0	45	-1.0	-52.45	377.30	-2.23	-54.68
COC1=CC=NC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793203	0	45	-1.0	-56.44	396.16	-0.21	-56.65
COC(=O)CC(C)(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793204	0	47	-1.0	-50.17	389.03	0.33	-49.84
CC(CS(C)=O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793205	0	43	-1.0	-59.48	376.10	-1.69	-61.17
CC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1C#N	REAL300024793206	0	42	-1.0	-51.50	381.56	0.13	-51.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(O)=CC=C1Cl	REAL300024793207	0	40	-1.0	-53.69	373.13	-1.32	-55.01
COC(F)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793208	0	36	-1.0	-54.67	330.53	-2.06	-56.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300024793209	0	50	-1.0	-53.92	420.54	1.86	-52.06
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300024793210	0	40	-2.0	-94.97	374.96	0.18	-94.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300024793211	0	44	-1.0	-54.96	387.57	0.22	-54.74
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300024793211	1	45	0.0	-73.08	390.98	0.72	-72.36
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C#N)=CC1CC1	REAL300024793213	0	41	-1.0	-48.38	370.90	1.09	-47.29
COC1=CC=CC(O)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793214	0	44	-1.0	-57.00	392.51	-2.22	-59.22
CCC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)ON=C1	REAL300024793215	0	41	-1.0	-49.14	364.44	0.19	-48.95
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(CC(F)F)C1	REAL300024793216	0	44	-1.0	-51.29	387.63	-2.05	-53.34
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CS(N)(=O)=O	REAL300024793217	0	37	-1.0	-65.26	348.43	-6.65	-71.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCS(N)(=O)=O	REAL300024793218	0	40	-1.0	-57.17	369.95	-5.86	-63.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)C1=CC=C(F)C(F)=C1	REAL300024793219	0	41	-1.0	-52.15	387.90	1.19	-50.96
COC1=CC=C(C(C)C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024793220	0	49	-1.0	-53.37	414.20	1.69	-51.68
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)C=N1	REAL300024793221	0	39	-1.0	-51.00	363.78	0.73	-50.27
COC(=O)NCCCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793222	0	46	-1.0	-54.43	406.36	-2.36	-56.79
CC1=CC=C(N)C=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793223	0	44	-1.0	-51.94	380.83	-0.41	-52.35
COC(=O)NC(C)(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793224	0	46	-1.0	-50.93	387.53	-2.00	-52.93
CC(C)NC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024793225	0	49	-1.0	-53.85	416.67	0.40	-53.45
COC1=CC=CC(C(O)C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793226	0	47	-1.0	-51.74	405.36	-0.95	-52.69
CC(C)C1=CC=C(O)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793227	0	49	-1.0	-52.52	418.71	0.50	-52.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(N)=CC=N1	REAL300024793228	0	40	-1.0	-51.82	358.04	-1.78	-53.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C#N)CCC1	REAL300024793229	0	40	-1.0	-48.60	354.31	0.12	-48.48
COC1=CC(C)=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024793230	0	47	-1.0	-57.33	404.38	-0.09	-57.42
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(C#N)C=CS1	REAL300024793231	0	37	-1.0	-59.30	354.05	0.22	-59.08
CSC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024793232	0	40	-1.0	-50.21	373.39	0.71	-49.50
CC(=O)C1=CSC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793233	0	41	-1.0	-61.71	379.93	0.43	-61.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CCCC1	REAL300024793234	0	43	-1.0	-50.71	367.56	1.68	-49.03
COC(=O)C1=CN=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793235	0	44	-1.0	-56.46	394.65	-0.19	-56.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(C)(C)C#N	REAL300024793236	0	42	-1.0	-49.82	365.71	0.63	-49.19
CC1=CN=C(Cl)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793237	0	41	-1.0	-56.33	375.34	0.31	-56.02
CSC(C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793238	0	45	-1.0	-51.15	395.70	1.65	-49.50
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(=O)NC1CC1	REAL300024793239	0	43	-1.0	-62.14	380.65	-0.17	-62.31
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(C)(O)C1=CC=CC=C1	REAL300024793240	0	49	-1.0	-50.77	413.59	1.15	-49.62
CC(=O)OCC(C)(C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793241	0	50	-1.0	-52.69	421.35	1.99	-50.70
COCC(O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793242	0	40	-1.0	-51.21	353.60	-3.94	-55.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)CCCO	REAL300024793243	0	48	-1.0	-51.84	390.47	-2.24	-54.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2N=NN(C)C2=CC=C1	REAL300024793244	0	44	-1.0	-67.63	391.59	-0.36	-67.99
CCCC1=NSC(N)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793245	0	46	-1.0	-50.13	415.43	-1.09	-51.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(C#N)C=NN1C	REAL300024793246	0	40	-1.0	-52.75	376.76	-0.73	-53.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(C(N)=O)=C1F	REAL300024793247	0	43	-1.0	-69.76	386.43	-2.06	-71.82
CC1=CC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024793248	0	44	-1.0	-54.48	389.73	0.95	-53.53
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CCOC1	REAL300024793249	0	46	-1.0	-50.44	381.68	-0.45	-50.89
CC1=CN2C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)=CN=C2S1	REAL300024793250	0	42	-1.0	-55.20	383.55	1.39	-53.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(N)=C(F)C=N1	REAL300024793251	0	40	-1.0	-49.76	364.00	-1.75	-51.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C2=CC=NC=C2)CC1	REAL300024793252	0	45	-1.0	-51.87	392.89	1.24	-50.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(Cl)=C1	REAL300024793253	0	36	-1.0	-50.16	343.64	-0.32	-50.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2=CN=NN2C1	REAL300024793254	0	45	-1.0	-55.15	384.21	-0.79	-55.94
CCOC1=CC(=O)OC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793255	0	45	-1.0	-50.70	400.98	0.76	-49.94
CC1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C2C=CNC2=N1	REAL300024793256	0	44	-1.0	-53.78	389.08	1.10	-52.68
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=C2NC=CC=C2N=C1	REAL300024793257	0	45	-1.0	-68.28	399.61	0.28	-68.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024793258	0	48	0.0	-74.87	398.09	1.54	-73.33
CSC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024793259	0	39	-1.0	-51.87	374.79	-0.67	-52.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCCNC1=O	REAL300024793260	0	46	-1.0	-47.04	368.15	-2.48	-49.52
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN=CN1C1CC1	REAL300024793261	0	42	-1.0	-52.14	372.07	2.09	-50.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1[C@H](C(F)F)C1(C)C	REAL300024793262	0	45	-1.0	-49.82	385.27	1.76	-48.06
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC(OC(F)F)C1	REAL300024793263	0	46	-1.0	-52.60	396.59	0.17	-52.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC3CC(CC(C3)O1)C2	REAL300024793264	0	51	-1.0	-48.80	396.40	1.71	-47.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1(C2CC2)CC1	REAL300024793265	0	46	-1.0	-49.36	382.58	2.53	-46.83
CC(C)[C@@H](NC(N)=O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793266	0	47	-1.0	-51.91	393.14	-3.62	-55.53
CC1=CC=CC2=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=NN21	REAL300024793267	0	45	-1.0	-57.03	392.24	1.33	-55.70
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C2CCC2)=NO1	REAL300024793268	0	45	-1.0	-49.06	392.18	1.29	-47.77
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC1(F)F	REAL300024793269	0	36	-1.0	-54.52	334.43	0.06	-54.46
CC1=CNC2=NC=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=C12	REAL300024793270	0	45	-1.0	-55.38	394.66	1.00	-54.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CCCC1	REAL300024793271	0	57	0.0	-81.42	441.17	2.88	-78.54
COC12CCC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)(CC1)C2	REAL300024793272	0	50	-1.0	-53.41	404.32	0.37	-53.04
CC1CCCC(C)[NH+]1CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793273	0	57	0.0	-71.01	439.13	2.93	-68.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)C1CCOC1	REAL300024793274	0	43	-1.0	-52.31	369.75	-0.85	-53.16
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNN=C1C1CC1	REAL300024793275	0	42	-1.0	-50.15	373.77	-1.11	-51.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC([NH+](C)C)CC1	REAL300024793276	0	54	0.0	-78.67	422.72	2.36	-76.31
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CC1	REAL300024793277	0	51	0.0	-79.01	418.48	2.09	-76.92
C#CC1=CC=C(OCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024793278	0	45	-1.0	-56.62	409.40	3.22	-53.40
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024793279	0	54	0.0	-65.10	415.92	2.21	-62.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@@H+]1C	REAL300024793280	0	49	0.0	-64.21	394.99	1.84	-62.37
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(N2C=NN=N2)CC1	REAL300024793307	0	41	-1.0	-50.34	372.28	-0.20	-50.54
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2=NN=NN2C1	REAL300024793309	0	44	-1.0	-57.29	376.82	-1.18	-58.47
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC1=CC=CC=N1	REAL300024793310	0	42	-1.0	-53.14	389.85	1.01	-52.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCC(F)(F)CC1	REAL300024793311	0	48	-1.0	-50.66	404.19	2.52	-48.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC2=NNN=C2C=C1	REAL300024793312	0	44	-1.0	-56.56	394.21	-0.72	-57.28
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=CC=CN=C1Cl	REAL300024793322	0	44	-1.0	-52.37	402.31	1.44	-50.93
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC(=S)N1C1CC1	REAL300024793325	0	44	-1.0	-61.93	387.98	1.23	-60.70
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C2=CC=NC=C2)CCC1	REAL300024793328	0	48	-1.0	-53.43	401.58	1.48	-51.95
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC12CCOCC2	REAL300024793330	0	50	-1.0	-52.23	392.58	0.39	-51.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C2(C)CC2)=NN1	REAL300024793331	0	46	-1.0	-52.14	397.63	0.57	-51.57
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300024793332	0	39	-2.0	-91.73	367.08	-2.96	-94.69
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NOC2=NC=CC=C12	REAL300024793333	0	40	-1.0	-52.24	366.76	-2.07	-54.31
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC(N)=C1Cl	REAL300024793334	0	40	-1.0	-53.03	368.13	-1.24	-54.27
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COC1=CC=CC(NCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793339	0	48	-1.0	-54.01	415.61	-0.35	-54.36
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCOC(=O)CC1	REAL300024793342	0	45	-1.0	-58.99	380.36	0.56	-58.43
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@@H]1C1=NNC=N1	REAL300024793343	1	42	-1.0	-56.75	372.00	0.86	-55.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1COC2COCC21	REAL300024793344	0	45	-1.0	-53.71	371.56	-2.28	-55.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@]12C[C@H]1[C@H](F)C2	REAL300024793345	0	40	-1.0	-53.76	357.66	1.08	-52.68
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=CC=CC(=O)N1	REAL300024793347	0	45	-1.0	-56.34	399.28	-0.30	-56.64
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C(C)(F)F)=NN1	REAL300024793348	0	42	-1.0	-51.47	384.93	-0.44	-51.91
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC(=O)O1	REAL300024793349	0	36	-1.0	-52.56	335.33	-3.34	-55.90
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC(Cl)=N1	REAL300024793355	0	36	-1.0	-51.65	342.70	-1.03	-52.68
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(Cl)N1	REAL300024793355	1	36	-1.0	-51.65	342.70	-1.03	-52.68
CCCC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024793356	0	46	-1.0	-52.94	396.07	1.55	-51.39
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CCOC1=CC=CC=C1	REAL300024793357	0	47	-1.0	-53.91	415.54	2.31	-51.60
CCCCC[N@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793358	0	56	0.0	-75.84	453.14	3.35	-72.49
CCCCC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793358	1	56	0.0	-75.84	453.14	3.35	-72.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C1=CC=NC=C1	REAL300024793359	0	47	-1.0	-51.40	391.18	1.33	-50.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CSCN1C	REAL300024793360	0	42	-1.0	-54.10	368.76	-1.61	-55.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2CCCC12	REAL300024793361	0	44	-1.0	-51.45	371.33	1.88	-49.57
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN(CC2CC2)N=C1	REAL300024823150	0	46	-1.0	-52.81	401.38	1.21	-51.60
CC(C)C1CC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024823151	0	55	-1.0	-50.56	443.12	2.10	-48.46
CCC1CC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024823152	0	52	-1.0	-50.63	426.10	1.57	-49.06
CCC1CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024823153	0	49	-1.0	-51.60	402.48	0.55	-51.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2=C(C1)NC=N2	REAL300024823154	0	46	-1.0	-54.44	390.66	1.06	-53.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2=C(C1)N=CN2	REAL300024823154	1	46	-1.0	-56.06	386.62	0.95	-55.11
CC(=O)N1CCC(C)(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024823155	0	49	-1.0	-55.23	404.17	-0.36	-55.59
CC1=CN2C=CN=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C2=N1	REAL300024823156	0	44	-1.0	-61.98	391.49	1.63	-60.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC12CCOC2	REAL300024823157	0	44	-1.0	-50.59	379.66	-0.32	-50.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN(C2CCOC2)N=N1	REAL300024823158	0	46	-1.0	-50.95	401.02	-1.96	-52.91
CCC1CCCN1C(=O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823159	0	49	-1.0	-48.76	408.20	0.60	-48.16
COCCCC(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823160	0	48	-1.0	-51.27	400.89	-0.05	-51.32
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C(N)=O)N1	REAL300024823209	0	41	-1.0	-57.38	368.79	-3.81	-61.19
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1N=NC2=C1CCCC2	REAL300024823211	0	48	-1.0	-63.18	410.97	0.49	-62.69
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CC[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024823213	0	47	0.0	-71.86	379.25	0.82	-71.04
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CCC1=NC=NC(CC)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823215	0	49	-1.0	-50.61	418.56	1.51	-49.10
CC1=NC(C)=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024823216	0	42	-1.0	-54.88	366.04	-0.32	-55.20
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CN2C=CN=C12	REAL300024823217	0	41	-1.0	-61.38	369.57	1.03	-60.35
CC1=NC(C2CC2)=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823218	0	48	-1.0	-52.10	410.10	1.92	-50.18
CC1=NN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024823219	0	42	-1.0	-58.65	375.37	0.06	-58.59
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COC1=CC(=O)NC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823221	0	43	-1.0	-59.20	388.20	-2.39	-61.59
CC(OCC1=CC=NC=C1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823222	0	48	-1.0	-57.15	416.67	1.19	-55.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@H]1C1=CN=CN1C	REAL300024823223	0	46	-1.0	-54.04	403.53	2.62	-51.42
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=CNN=N1	REAL300024823224	1	41	-1.0	-53.95	368.53	-1.95	-55.90
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C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823226	0	44	-1.0	-52.74	378.12	-0.39	-53.13
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1COC2=CC=CC=C2O1	REAL300024823228	0	45	-1.0	-55.94	391.06	1.31	-54.63
CC1=CC=NC2=NC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)=NN21	REAL300024823229	0	43	-1.0	-61.34	388.23	2.69	-58.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC(=O)C1CCCCC1	REAL300024823230	0	52	-1.0	-50.72	433.38	0.12	-50.60
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC(=O)C1=CC=CO1	REAL300024823232	0	43	-1.0	-53.48	391.82	-2.13	-55.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2C=CC=CC2=N1	REAL300024823233	0	42	-1.0	-54.03	376.21	2.49	-51.54
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)C=C1	REAL300024823257	0	41	-1.0	-52.07	368.63	-1.22	-53.29
CCCCC1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024823258	0	57	-1.0	-50.58	453.32	4.23	-46.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CC(F)=C1	REAL300024823259	0	39	-1.0	-50.22	359.37	1.18	-49.04
CC1=CC(C)=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300024823260	0	48	-1.0	-51.28	412.70	2.96	-48.32
COC1=CC=CC=C1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823261	0	46	-1.0	-53.07	401.56	1.46	-51.61
COC1=CC=C(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024823262	0	49	-1.0	-51.68	424.15	2.21	-49.47
CC1=CC=C(OC(C)C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024823263	0	49	-1.0	-55.06	418.06	3.10	-51.96
CC1=CC=CC(OC(C)C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024823264	0	49	-1.0	-55.13	418.13	3.10	-52.03
COC1=CC=CC=C1CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823265	0	49	-1.0	-52.57	422.97	2.27	-50.30
CC1=CC=C(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024823266	0	48	-1.0	-52.58	411.66	3.31	-49.27
CC1=CC=CC(C)=C1OCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823267	0	49	-1.0	-54.24	423.92	3.49	-50.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCNC(=O)C1=CC=CO1	REAL300024823268	0	46	-1.0	-59.96	413.95	-1.44	-61.40
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=NC=N1	REAL300024823269	0	38	-1.0	-61.53	348.21	0.93	-60.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=CC=CC=C1Cl	REAL300024823270	0	45	-1.0	-50.57	407.32	3.28	-47.29
CC1=NC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024823271	0	41	-1.0	-54.89	378.68	-0.02	-54.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CSC2=C1CCCC2	REAL300024823272	0	46	-1.0	-51.86	396.30	2.66	-49.20
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC1=CC=CS1	REAL300024823273	0	45	-1.0	-52.51	406.37	2.79	-49.72
CCC1=C(C)C=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024823274	0	45	-1.0	-51.86	397.46	2.05	-49.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=NC=CN=C2C=C1	REAL300024823275	0	43	-1.0	-58.03	380.78	-0.55	-58.58
CCCC1=C(C)SC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024823276	0	48	-1.0	-52.12	419.23	2.82	-49.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C(=O)CNC1=O	REAL300024823277	0	41	-1.0	-59.48	373.34	-3.42	-62.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C(=O)CN(C)C1=O	REAL300024823278	0	44	-1.0	-60.36	396.02	-1.01	-61.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=CC=CC=C2N1	REAL300024823279	0	43	-1.0	-53.10	377.82	1.61	-51.49
CC1=C(C)SC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024823280	0	42	-1.0	-52.19	375.91	1.26	-50.93
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCCCCC1=O	REAL300024823281	0	49	-1.0	-58.53	409.95	1.14	-57.39
CCC1=C(C)SC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024823282	0	45	-1.0	-52.17	396.71	2.01	-50.16
CC1CCN(C(=O)C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024823283	0	46	-1.0	-48.56	391.87	-0.21	-48.77
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C1CC1)C1CC1	REAL300024823284	0	46	-1.0	-49.70	386.73	2.33	-47.37
CCCCN1N=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024823285	0	51	-1.0	-52.50	431.24	1.67	-50.83
CCCCN1C=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024823286	0	51	-1.0	-54.88	433.61	1.79	-53.09
CCC(C)N1N=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024823287	0	51	-1.0	-51.77	427.63	1.47	-50.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCOC1CCOCC1	REAL300024823288	0	50	-1.0	-50.90	421.86	-0.56	-51.46
CCN1N=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1C1CC1	REAL300024823289	0	49	-1.0	-51.35	416.57	1.58	-49.77
CCC1=NOC(COCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024823290	0	47	-1.0	-60.93	420.78	-1.28	-62.21
CC1=NN(CCCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024823291	0	50	-1.0	-59.96	434.61	2.02	-57.94
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NN=CN1	REAL300024823292	0	38	-1.0	-63.06	346.46	-0.49	-63.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NC=NN1	REAL300024823292	1	38	-1.0	-59.25	346.76	-0.85	-60.10
C=CCOC1=CC=CN=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823293	0	46	-1.0	-55.51	405.13	2.37	-53.14
CN(C)C(=O)C1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024823294	0	46	-1.0	-49.19	394.48	-0.53	-49.72
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](CC2CC2)CC1	REAL300024823295	0	55	0.0	-77.91	437.63	3.42	-74.49
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1C(C)C	REAL300024823296	0	48	-1.0	-52.09	408.48	0.82	-51.27
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300024823297	0	48	-1.0	-50.31	391.80	2.08	-48.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCCN1C(N)=O	REAL300024823298	0	48	-1.0	-60.66	394.76	-0.92	-61.58
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNN=C1C(C)(C)C	REAL300024823299	0	48	-1.0	-53.78	401.04	-0.16	-53.94
CCN1C=C(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024823300	0	45	-1.0	-55.50	397.32	0.74	-54.76
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1=CN(C)N=C1	REAL300024823301	0	45	-1.0	-56.94	389.70	0.17	-56.77
CCCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024823302	0	50	-1.0	-50.75	400.62	1.96	-48.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCCO1	REAL300024823303	0	49	-1.0	-51.59	408.97	1.01	-50.58
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=CC(F)=CC=C2O1	REAL300024823304	0	42	-1.0	-50.32	383.57	1.97	-48.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2=CC(F)=CC=C2O1	REAL300024823305	0	44	-1.0	-55.50	390.33	2.22	-53.28
CCC(CC1=CC=CC=C1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823306	0	51	-1.0	-51.19	420.63	3.80	-47.39
CCC(OC1CCCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823307	0	52	-1.0	-54.03	421.69	2.52	-51.51
COC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=NN1C	REAL300024823308	0	46	-1.0	-52.69	410.71	-1.51	-54.20
CC(C)N1C=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024823309	0	45	-1.0	-52.93	391.48	0.86	-52.07
CN(C)C1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024823310	0	46	-1.0	-53.48	395.69	0.85	-52.63
CCOC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024823311	0	49	-1.0	-52.91	417.89	2.01	-50.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC(C(N)=O)C1	REAL300024823312	0	49	-1.0	-53.98	398.43	-2.13	-56.11
CC1CCCC(OCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024823313	0	52	-1.0	-54.34	428.47	2.84	-51.50
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(C2CC2)=N1	REAL300024823314	0	44	-1.0	-49.85	390.33	1.76	-48.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CSC2=CN=CN21	REAL300024823315	0	39	-1.0	-53.95	370.01	1.47	-52.48
CC1CCCCC1OCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823316	0	52	-1.0	-54.07	427.41	2.88	-51.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COC1CCOCC1	REAL300024823317	0	47	-1.0	-55.66	400.90	-0.26	-55.92
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC1CCOC1	REAL300024823318	0	47	-1.0	-55.84	403.91	-0.37	-56.21
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCS(=O)(=O)C1	REAL300024823319	0	45	-1.0	-57.98	390.18	-2.50	-60.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCS(=O)(=O)CC1	REAL300024823320	0	45	-1.0	-61.36	393.40	-2.45	-63.81
CC(C)C(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823321	0	44	-1.0	-50.20	361.62	0.68	-49.52
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300024823322	0	45	-1.0	-54.18	397.19	-0.54	-54.72
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)S(C)(=O)=O	REAL300024823323	0	44	-1.0	-67.95	377.33	-3.12	-71.07
CC(CC1CCCCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823324	0	54	-1.0	-51.11	427.27	3.43	-47.68
CCC(CC1CCCCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823325	0	57	-1.0	-50.23	443.81	3.87	-46.36
CC(CC1CCCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823326	0	51	-1.0	-51.03	410.84	2.84	-48.19
CCC(CC1CCCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823327	0	54	-1.0	-50.43	427.35	3.30	-47.13
CCCC(CC1CCCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823328	0	57	-1.0	-50.38	451.25	4.15	-46.23
CC(C)C(CC1CCCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823329	0	57	-1.0	-50.02	434.56	3.71	-46.31
CCOC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C	REAL300024823330	0	49	-1.0	-53.94	416.12	1.98	-51.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2C=CC=CC2=C1	REAL300024823331	0	43	-1.0	-54.12	378.16	2.70	-51.42
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C(=O)C(=O)N(C)C1=O	REAL300024823332	0	43	-1.0	-56.83	397.98	-1.63	-58.46
CCNC(=O)NC(C)(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823333	0	50	-1.0	-52.31	413.04	-2.08	-54.39
CC1=NC(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024823334	0	44	-1.0	-51.09	400.89	0.63	-50.46
CC1=NN(C)C=C1CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823335	0	48	-1.0	-54.29	417.60	1.22	-53.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C2=CC=CC(F)=C2)CC1	REAL300024823336	0	46	-1.0	-49.92	404.19	3.04	-46.88
CC[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823337	0	42	-1.0	-50.84	366.19	1.28	-49.56
CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=NC=C1C(N)=O	REAL300024823338	0	45	-1.0	-54.50	394.31	-2.27	-56.77
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2=NN=NN2CC1	REAL300024823339	0	47	-1.0	-63.55	398.74	-0.44	-63.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL300024823340	0	44	-1.0	-54.42	369.28	-0.55	-54.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C2=C1CCCC2	REAL300024823341	0	49	-1.0	-54.69	412.14	1.80	-52.89
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC(=O)N1	REAL300024823342	0	46	-1.0	-59.58	380.64	-1.72	-61.30
CC1=CNC(CC(N)=O)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823343	0	47	-1.0	-60.96	419.29	-2.84	-63.80
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@H]1C1=CN(C)N=C1	REAL300024823344	0	46	-1.0	-53.52	404.80	1.22	-52.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@H]1C1=CC=CO1	REAL300024823345	0	43	-1.0	-51.84	385.26	1.67	-50.17
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@H]1C1=CC=CN=C1	REAL300024823346	0	45	-1.0	-52.22	395.22	1.62	-50.60
COC1=CC=CC(OCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024823347	0	47	-1.0	-58.70	411.38	1.31	-57.39
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2NC=CC2=CC=C1	REAL300024823348	0	43	-1.0	-52.78	379.47	1.10	-51.68
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC(=O)C1=CC=CN=C1	REAL300024823349	0	45	-1.0	-53.44	402.58	-1.89	-55.33
CC(C)C1=NNC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024823350	0	45	-1.0	-51.83	388.12	-0.17	-52.00
CC(C)C1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024823350	1	45	-1.0	-51.59	391.13	0.10	-51.49
CC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=C1	REAL300024823351	0	42	-1.0	-53.84	384.29	2.24	-51.60
CCC(NC(C)=O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823352	0	45	-1.0	-51.84	381.27	-2.04	-53.88
COC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300024823353	0	43	-1.0	-54.03	380.42	0.37	-53.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2C=CNC2=CC=C1	REAL300024823354	0	43	-1.0	-56.37	380.07	1.14	-55.23
CC(C)=CCCC(C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823355	0	54	-1.0	-50.09	443.39	3.92	-46.17
CC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1F	REAL300024823356	0	42	-1.0	-59.00	380.33	1.84	-57.16
C=CC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024823357	0	43	-1.0	-51.67	377.83	2.13	-49.54
CC(C)CCCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823358	0	47	-1.0	-50.46	395.29	1.96	-48.50
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC2=C1OCC2	REAL300024823359	0	44	-1.0	-57.87	381.01	1.07	-56.80
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(CO)CC1	REAL300024823441	0	52	0.0	-73.27	422.71	-1.02	-74.29
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2OC=NC2=CC=C1	REAL300024823809	0	41	-1.0	-59.28	370.13	-1.99	-61.27
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C1(O)CCC1	REAL300024823826	0	43	-1.0	-49.40	376.55	-2.21	-51.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=CC=NC=C2N1	REAL300024823827	0	42	-1.0	-53.51	372.74	-0.14	-53.65
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300024823842	0	39	-2.0	-123.87	377.15	0.11	-123.76
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CN(C)CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024823848	0	49	-1.0	-53.60	416.56	-1.40	-55.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300024823848	1	50	0.0	-72.14	420.54	1.09	-71.05
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024823850	0	46	0.0	-76.53	386.57	1.34	-75.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024823850	1	46	0.0	-75.98	386.87	1.36	-74.62
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CCN1C=NC=N1	REAL300024823852	0	42	-1.0	-59.82	382.71	2.14	-57.68
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1CCCCCC1	REAL300024823854	0	52	-1.0	-50.16	421.13	3.41	-46.75
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1SC(=O)[N-]C1=O	REAL300024823856	0	39	-2.0	-91.10	372.85	-5.03	-96.13
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(CCF)C(=O)C=C1	REAL300024823858	0	44	-1.0	-51.91	396.36	-0.15	-52.06
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=C2C(F)=CC=CN21	REAL300024823861	0	42	-1.0	-51.50	380.15	2.48	-49.02
CCOC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024823862	0	46	-1.0	-48.33	387.86	0.25	-48.08
CCOC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024823863	0	50	-1.0	-48.95	401.90	-1.05	-50.00
CC1=NSC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024823864	0	41	-1.0	-55.66	379.79	0.53	-55.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(C2CCC2)OC=N1	REAL300024823865	0	45	-1.0	-51.09	391.07	-0.17	-51.26
CC(O)C1=CC=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823866	0	46	-1.0	-53.12	391.10	-0.73	-53.85
CC(=CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300024823867	0	43	-1.0	-50.35	381.79	1.48	-48.87
CC1=NN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)O1	REAL300024823868	0	41	-1.0	-61.48	377.26	-3.11	-64.59
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2SC=CN2N=C1	REAL300024823869	0	39	-1.0	-56.38	365.72	-0.20	-56.58
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CNC1=O	REAL300024823870	0	39	-1.0	-60.22	363.93	-1.75	-61.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1(C)CC1(F)Cl	REAL300024823871	0	42	-1.0	-48.88	384.09	1.66	-47.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC1COC2(C)C	REAL300024823872	0	47	-1.0	-50.22	384.00	0.16	-50.06
C#C[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823873	0	38	-1.0	-53.62	345.81	1.02	-52.60
CCN1CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300024823874	0	49	-1.0	-54.37	407.60	0.34	-54.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024823875	0	38	-2.0	-97.50	354.20	-3.77	-101.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300024823876	0	55	0.0	-73.80	439.80	3.15	-70.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(N=[N+]=[N-])CC1	REAL300024823877	0	38	-1.0	-48.98	350.23	-3.55	-52.53
CON1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024823878	0	48	-1.0	-52.93	394.69	-1.39	-54.32
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCN(C2CC2)C1=O	REAL300024823879	0	49	-1.0	-62.70	420.95	1.28	-61.42
CC(NC(=O)C1=CC=CO1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823880	0	46	-1.0	-52.88	408.46	-1.49	-54.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(CO)NC(N)=O	REAL300024823881	0	42	-1.0	-54.64	371.78	-8.68	-63.32
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC1=CC=CC=C1	REAL300024823882	0	43	-1.0	-53.75	391.76	2.60	-51.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC1(Cl)Cl	REAL300024823883	0	36	-1.0	-49.37	355.94	0.87	-48.50
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(C)(C)C	REAL300024823884	0	45	-1.0	-52.87	392.62	1.59	-51.28
CC1=CC=C([N+](=O)[O-])C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024823885	0	44	-1.0	-62.45	395.00	3.28	-59.17
CC(=O)NC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024823886	0	48	-1.0	-50.58	398.43	-1.46	-52.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C(C)(F)F)=NN1	REAL300024823887	0	42	-1.0	-53.28	380.94	-0.46	-53.74
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC(C(C)(F)F)=C1	REAL300024823887	1	42	-1.0	-51.47	384.93	-0.44	-51.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC(=O)O1	REAL300024823888	0	36	-1.0	-52.56	335.33	-3.34	-55.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC(C)(CC1)CO2	REAL300024823889	0	50	-1.0	-50.12	401.94	1.10	-49.02
CC(C)[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823890	0	45	-1.0	-50.59	385.52	1.83	-48.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024823891	0	48	0.0	-71.96	404.69	0.92	-71.04
CC1=NN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1C	REAL300024823892	0	48	-1.0	-56.85	414.84	1.09	-55.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC2=NNC=C21	REAL300024823893	0	41	-1.0	-57.92	366.98	-0.95	-58.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC(Cl)=N1	REAL300024823894	0	36	-1.0	-50.62	346.31	-0.77	-51.39
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(Cl)N1	REAL300024823894	1	36	-1.0	-51.65	342.70	-1.03	-52.68
CCCC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024823895	0	46	-1.0	-52.94	396.07	1.55	-51.39
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CCOC1=CC=CC=C1	REAL300024823896	0	47	-1.0	-53.91	415.54	2.31	-51.60
CCCCC[N@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823897	0	56	0.0	-75.78	453.14	3.34	-72.44
CCCCC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823897	1	56	0.0	-75.84	453.14	3.35	-72.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C1=CC=NC=C1	REAL300024823898	0	47	-1.0	-51.40	391.18	1.33	-50.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2CCCC12	REAL300024823899	0	44	-1.0	-51.45	371.33	1.88	-49.57
CC1=CC(=O)N(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024829150	0	47	-1.0	-57.45	415.09	1.54	-55.91
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)SC(CO)=N1	REAL300024829151	0	42	-1.0	-53.43	386.14	-3.42	-56.85
CN(CCNC(=O)C1=CC=CC(=S)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829152	0	39	-2.0	-127.55	370.26	1.97	-125.58
CN(CCNC(=O)CC1=CC(Cl)=CC=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829153	0	43	-1.0	-55.75	399.54	-0.16	-55.91
CC1COC2=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=CC=C21	REAL300024829154	0	47	-1.0	-57.98	404.10	2.83	-55.15
CN(CCNC(=O)C1=CC=CC(C(N)=O)=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829155	0	45	-1.0	-58.67	389.04	-3.25	-61.92
CC1=CC=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(Cl)=N1	REAL300024829156	0	44	-1.0	-58.18	403.52	1.29	-56.89
CNC1=NC=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024829157	0	45	-1.0	-51.81	387.26	-1.90	-53.71
CN(CCNC(=O)COC1=CC=C(CO)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829158	0	47	-1.0	-58.19	414.70	-0.66	-58.85
CN(CCNC(=O)C1=CC(C2CC2)=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829159	0	45	-1.0	-51.85	395.02	1.83	-50.02
CN(CCNC(=O)C1CCC1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829160	0	39	-1.0	-52.85	346.60	0.53	-52.32
CN(CCNC(=O)CCCCCC#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829161	0	45	-1.0	-58.68	398.58	2.00	-56.68
CN(CCNC(=O)C1C(F)(F)C12CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829162	0	43	-1.0	-50.54	381.70	2.01	-48.53
CN(CCNC(=O)C1=CC(C#N)=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829163	0	40	-1.0	-53.67	381.96	2.36	-51.31
CC(C)C(=O)N[C@@H](CO)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829164	0	49	-1.0	-54.06	422.22	-4.15	-58.21
CN(CCNC(=O)C1=CC2=C(CCCC2=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829165	0	46	-1.0	-62.59	401.98	0.81	-61.78
CC1C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC2=CC=CC=C21	REAL300024829166	0	47	-1.0	-52.60	405.74	3.90	-48.70
CN(CCNC(=O)C1=CC=CC=C1OC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829167	0	47	-1.0	-57.47	406.99	3.68	-53.79
CN(C)C1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NC(N)=N1	REAL300024829168	0	46	-1.0	-54.92	408.52	2.08	-52.84
CN(CCNC(=O)C1=CC2=CC=NN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829169	0	42	-1.0	-54.88	376.09	1.23	-53.65
COC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(C)=N1	REAL300024829170	0	45	-1.0	-51.42	397.34	-1.21	-52.63
CN(CCNC(=O)C(CO)C1=CC=C(F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829171	0	46	-1.0	-52.43	404.35	-0.11	-52.54
CN(CCNC(=O)C1=C(F)C=CC(F)=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829172	0	41	-1.0	-50.86	377.17	-0.67	-51.53
CCSC1=NC=CN=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829173	0	44	-1.0	-53.56	400.29	-0.01	-53.57
CN(CCNC(=O)C1=NOC(C(F)(F)F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829174	0	38	-1.0	-47.79	368.32	-0.07	-47.86
CN(CCNC(=O)C1=NN=C(C(C)(C)C)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829175	0	46	-1.0	-50.10	414.06	0.04	-50.06
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1C=NC(C#N)=N1	REAL300024829176	0	42	-1.0	-60.91	387.85	0.77	-60.14
CN(CCNC(=O)CCCC1=CC=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829177	0	50	-1.0	-54.77	427.56	1.67	-53.10
CCOC(=O)NCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829178	0	43	-1.0	-52.32	384.59	-2.83	-55.15
CN(CCNC(=O)C1CCC2(CCC2)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829179	0	47	-1.0	-55.50	397.14	1.72	-53.78
CN(CCNC(=O)C[C@H]1CC2=CC=CC=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829180	0	48	-1.0	-53.05	410.41	1.46	-51.59
CN(CCNC(=O)C1CC(N2C=CN=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829181	0	46	-1.0	-57.59	398.44	2.43	-55.16
CN(CCNC(=O)C(F)C1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829182	0	46	-1.0	-51.76	387.74	0.01	-51.75
CN(CCNC(=O)C1CCCC12CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829183	0	49	-1.0	-51.12	400.48	2.73	-48.39
CN(CCNC(=O)C1=CC(F)=CC(C(N)=O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829184	0	43	-1.0	-58.70	389.25	-1.70	-60.40
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=C(Cl)O1	REAL300024829185	0	38	-1.0	-48.06	362.71	-2.60	-50.66
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)SN=C1	REAL300024829186	0	38	-1.0	-50.38	353.39	-0.25	-50.63
CN(CCNC(=O)C1=CC2CCCCCCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829187	0	53	-1.0	-50.78	422.72	3.75	-47.03
CN(CCNC(=O)C1=CN=C2NC=CC2=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829188	0	41	-1.0	-54.94	371.66	-1.12	-56.06
CN(CCNC(=O)[C@@H](O)CC1=CNC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829189	0	43	-1.0	-56.77	384.10	-1.62	-58.39
CN(CCNC(=O)[C@@H](O)CC1=CN=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829189	1	43	-1.0	-58.51	383.64	-1.66	-60.17
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=CN1CC1CC1	REAL300024829190	0	50	-1.0	-53.23	426.41	3.94	-49.29
CCC1=C(C)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024829191	0	44	-1.0	-50.44	387.94	0.95	-49.49
CN(CCNC(=O)CSC1=CN(C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829192	0	43	-1.0	-56.23	396.69	0.41	-55.82
CC(C)CC(F)(F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829193	0	44	-1.0	-47.02	381.50	1.31	-45.71
CN(CCNC(=O)C(F)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829194	0	42	-1.0	-51.12	365.78	1.20	-49.92
CC(OC(F)F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829195	0	39	-1.0	-53.64	354.95	-0.49	-54.13
CN(CCNC(=O)C1CC(C)(C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829196	0	43	-1.0	-55.96	373.43	0.06	-55.90
CN(CCNC(=O)C1=CC2=CN=NN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829197	0	41	-1.0	-56.74	369.76	0.01	-56.73
CN(CCNC(=O)C1(C)CCCCNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829198	0	49	-1.0	-56.10	399.27	-1.33	-57.43
CC1CC(C)(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024829199	0	49	-1.0	-52.56	399.22	0.47	-52.09
CN(CCNC(=O)C1CC2(CCCC2)CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829200	0	50	-1.0	-54.75	410.98	2.01	-52.74
CN(CCNC(=O)CC1CC2(CC2)CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829201	0	47	-1.0	-54.50	401.39	1.42	-53.08
CN(CCNC(=O)C1=CC2=C(C=C(Cl)O2)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829202	0	40	-1.0	-52.63	379.60	0.06	-52.57
CN(CCNC(=O)C1CCCC2=C1N=CN2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829203	0	49	-1.0	-54.27	412.24	3.29	-50.98
CN(CCNC(=O)C1CNC2=C(C1)N(C)N=C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829204	0	48	-1.0	-54.23	409.19	-1.17	-55.40
CN(CCNC(=O)C(C)(F)C(C)(C)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829205	0	44	-1.0	-54.24	374.14	0.93	-53.31
CN(CCNC(=O)[C@]12COC[C@H]1C2(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829206	0	41	-1.0	-52.62	370.40	-0.75	-53.37
CN(CCNC(=O)C1(F)CCC(=O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829207	0	44	-1.0	-52.77	381.99	0.75	-52.02
CC1=CN(C(C)C)C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829208	0	49	-1.0	-55.65	417.97	3.14	-52.51
CC1CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCS1	REAL300024829209	0	46	-1.0	-51.92	394.46	2.12	-49.80
CN(CCNC(=O)C12CC(C)(C1)OCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829210	0	47	-1.0	-51.83	390.47	0.27	-51.56
CN(CCNC(=O)C1CCC2(CC(O)C2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829211	0	53	-1.0	-52.34	429.38	-0.07	-52.41
CN(CCNC(=O)C(C)(C)CCC#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829212	0	45	-1.0	-58.47	386.75	1.39	-57.08
CN(CCNC(=O)[C@@H]1C[C@@H]2CCCCC[C@H]12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829213	0	52	-1.0	-51.14	409.58	3.09	-48.05
CC1=NOC2(CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024829214	0	47	-1.0	-53.08	399.93	0.48	-52.60
CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C(Cl)N=C1C	REAL300024829215	0	44	-1.0	-55.88	394.90	1.28	-54.60
C#CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829216	0	38	-1.0	-51.82	360.36	0.76	-51.06
CN(CCNC(=O)C1=NN2CC3(CC3)CC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829217	0	47	-1.0	-53.77	409.99	1.39	-52.38
CN(CCNC(=O)C1=NN=C2CCCCCN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829218	0	48	-1.0	-51.92	400.76	1.75	-50.17
CN(CCNC(=O)CC1COC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829219	0	49	-1.0	-54.19	409.00	0.71	-53.48
CN(CCNC(=O)C(C)(C)C1=CC=CC(N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829220	0	50	-1.0	-54.03	419.35	0.95	-53.08
CN(CCNC(=O)CC1CCCCC1(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829221	0	48	-1.0	-49.75	402.80	2.44	-47.31
CN(CCNC(=O)CC1CCC(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829222	0	45	-1.0	-64.39	389.73	-0.91	-65.30
CN(CCNC(=O)C1=CC=CC(C2(C)CC2)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829223	0	49	-1.0	-53.13	414.82	3.92	-49.21
CN(CCNC(=O)CC1CCC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829224	0	49	-1.0	-51.38	400.51	3.00	-48.38
CN(CCNC(=O)C1=C2C(=CC=N1)C=NN2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829225	0	44	-1.0	-54.16	385.34	-0.35	-54.51
CN(CCNC(=O)COC1(C)CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829226	0	50	-1.0	-55.25	413.00	0.16	-55.09
CC(C)N1C=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024829227	0	48	-1.0	-62.81	411.73	1.58	-61.23
CC1=C(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024829228	0	43	-1.0	-51.43	392.66	2.33	-49.10
CC1=CC=CC=C1C=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829229	0	46	-1.0	-52.50	400.43	3.17	-49.33
CN(CCNC(=O)C=CC1=CC=CN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829230	0	44	-1.0	-53.37	388.11	2.04	-51.33
CCC1=CC=C(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024829231	0	49	-1.0	-52.14	426.04	4.10	-48.04
CN(CCNC(=O)C=CC1=CNC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829232	0	40	-1.0	-56.23	364.72	0.38	-55.85
CC1=CSC(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024829233	0	42	-1.0	-54.08	391.44	0.43	-53.65
CN(CCNC(=O)C=CC1=CC=C(F)C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829234	0	43	-1.0	-52.72	395.85	2.78	-49.94
CN(CCNC(=O)C=CC1=CN=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829235	0	39	-1.0	-52.86	368.21	-0.10	-52.96
CN(CCNC(=O)C=CC1=CC=C(N)C(N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829236	0	47	-1.0	-54.04	409.89	-1.32	-55.36
CC1=CC(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300024829237	0	46	-1.0	-52.63	409.57	3.34	-49.29
CN(CCNC(=O)C=CC1=NC=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829238	0	40	-1.0	-53.81	365.56	-0.40	-54.21
CN(CCNC(=O)C=CC1=CN(C)N=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829239	0	42	-1.0	-56.85	383.88	-0.79	-57.64
CN(CCNC(=O)[C@]12C[C@H]1COC21CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829240	0	48	-1.0	-51.13	404.97	1.40	-49.73
CCC1(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300024829241	0	46	-1.0	-51.06	379.79	-0.58	-51.64
CN(CCNC(=O)C=CC1=CC=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829242	0	43	-1.0	-54.17	385.60	0.29	-53.88
CN(CCNC(=O)C=CC1=CNN=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829243	0	40	-1.0	-54.98	363.64	-0.84	-55.82
CCC1=CC=C(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829244	0	46	-1.0	-51.99	408.91	2.43	-49.56
CC1=NNC(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829245	0	45	-1.0	-53.08	396.48	-0.13	-53.21
CC1=CC(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024829245	1	45	-1.0	-53.25	396.15	-0.14	-53.39
COC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CS(=O)(=O)C1	REAL300024829246	0	43	-1.0	-54.55	385.93	-4.41	-58.96
CCC1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C(N)S1	REAL300024829247	0	43	-1.0	-50.40	390.76	-1.71	-52.11
CN(CCNC(=O)[C@@H]1C[C@H]1CF)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829248	0	39	-1.0	-53.80	351.71	0.73	-53.07
CC(C)C[NH+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829249	0	57	0.0	-76.85	449.61	3.61	-73.24
CN(CCNC(=O)C1=CN=C2SCCN12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829250	0	41	-1.0	-56.97	373.82	0.61	-56.36
CN(CCNC(=O)CC1(C#N)CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829251	0	47	-1.0	-57.90	397.50	-0.22	-58.12
CC1CN(C)CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829252	0	48	-1.0	-53.94	404.55	-1.34	-55.28
CC1C[N@H+](C)CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829252	1	49	0.0	-83.73	400.17	0.63	-83.10
CC1C[N@@H+](C)CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829252	1	49	0.0	-79.78	400.26	0.91	-78.87
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=NC=C1	REAL300024829253	0	44	-1.0	-54.15	384.11	0.92	-53.23
CN(CCNC(=O)C1=CC(Cl)=NC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829254	0	38	-1.0	-52.42	365.05	0.20	-52.22
CN(CCNC(=O)CNC1=CC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829255	0	43	-1.0	-55.66	380.65	-0.49	-56.15
CN(CCNC(=O)[C@H]1CCCC[C@H]1C(N)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829256	0	49	-1.0	-59.66	399.32	-0.71	-60.37
CN(CCNC(=O)CC1=CN=NS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829257	0	37	-1.0	-57.11	351.73	-1.23	-58.34
CC1=C(CO)C=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829258	0	43	-1.0	-55.40	386.11	-2.35	-57.75
CN(CCNC(=O)C(F)=C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829259	0	40	-1.0	-48.93	358.02	1.23	-47.70
CCC(CO)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829260	0	42	-1.0	-51.46	359.27	-2.42	-53.88
CN(CCNC(=O)C(F)C(C)(C)O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829261	0	42	-1.0	-54.19	367.54	-1.42	-55.61
CON1CCC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829262	0	51	-1.0	-52.65	416.57	-0.44	-53.09
CN(CCNC(=O)C1=CN(C2COC2)N=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829263	0	43	-1.0	-53.38	386.04	-3.10	-56.48
CN(CCNC(=O)C1=CN2N=CN=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829264	0	41	-1.0	-56.75	370.18	1.88	-54.87
CN(CCNC(=O)C1=C2C=NOC2=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829265	0	41	-1.0	-56.26	368.77	0.83	-55.43
CN(CCNC(=O)CC(O)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829266	0	43	-1.0	-54.71	376.19	-0.96	-55.67
CN(CCNC(=O)C1=NC(F)=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829267	0	38	-1.0	-51.09	364.52	0.18	-50.91
CN(CCNC(=O)C1=C2C(=CC=N1)C=CN2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829268	0	45	-1.0	-56.48	396.95	0.96	-55.52
CC1=C(O)C=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024829269	0	46	-1.0	-52.59	390.87	-0.09	-52.68
CN(CCNC(=O)COC1CCCOC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829270	0	47	-1.0	-54.67	400.80	-0.25	-54.92
COC1(C(F)(F)C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024829271	0	46	-1.0	-49.04	393.57	0.00	-49.04
COC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CCCOC1	REAL300024829272	0	50	-1.0	-54.65	415.47	0.15	-54.50
CC(C)CC(F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829273	0	44	-1.0	-50.90	377.95	1.20	-49.70
CN(CCNC(=O)C#CC1(C)COC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829274	0	42	-1.0	-51.93	379.83	-0.39	-52.32
CN(CCNC(=O)C1=CC=C(C#N)N=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829275	0	39	-1.0	-57.69	376.93	0.41	-57.28
CN(CCNC(=O)C1=CC=C(N)C=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829276	0	42	-1.0	-56.28	372.06	-2.14	-58.42
CC(=CC1CC1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829277	0	43	-1.0	-51.75	372.20	1.95	-49.80
CC(C)C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=NNC=N1	REAL300024829278	0	47	-1.0	-55.70	406.14	0.37	-55.33
CC(C)C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=NN=CN1	REAL300024829278	1	47	-1.0	-55.62	397.79	1.30	-54.32
CN(CCNC(=O)C1CC2(CC(=O)N2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829279	0	44	-1.0	-57.44	385.99	-2.52	-59.96
CN(CCNC(=O)C1=CC=C(N)N=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829280	0	40	-1.0	-56.81	370.98	-1.15	-57.96
CN(CCNC(=O)C1=CC=C(O)C(CO)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829281	0	44	-1.0	-57.82	389.27	-3.86	-61.68
CN(CCNC(=O)C1C(C)(C)C1(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829282	0	42	-1.0	-50.01	370.02	1.21	-48.80
CN(CCNC(=O)[C@@H]1C[C@@H]1C#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829283	0	37	-1.0	-62.42	340.72	0.23	-62.19
CC(=O)C1=CN(C)N=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829284	0	44	-1.0	-65.52	392.08	1.25	-64.27
CN(CCNC(=O)C1(O)CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829285	0	47	-1.0	-51.21	383.99	-0.86	-52.07
CCC1CCC[N@H+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829286	0	54	0.0	-72.21	429.79	2.99	-69.22
CCC1CCC[N@@H+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829286	1	54	0.0	-72.34	429.52	2.97	-69.37
CN(CCNC(=O)C=CC1=COC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829287	0	39	-1.0	-54.32	360.80	-2.55	-56.87
CC(=CN1C=CN=N1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829288	0	42	-1.0	-53.66	372.81	0.03	-53.63
CC(C)N1C=NN=C1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829289	0	47	-1.0	-59.83	409.11	2.30	-57.53
CCC(O)(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024829290	0	49	-1.0	-50.75	412.97	0.21	-50.54
CN(CCNC(=O)CC1(CO)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829291	0	46	-1.0	-50.88	386.58	-1.68	-52.56
CN(CCNC(=O)C1=COC2=C1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829292	0	46	-1.0	-55.20	393.50	2.11	-53.09
CN(CCNC(=O)C1(C2CCCO2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829293	0	50	-1.0	-53.17	408.04	2.39	-50.78
CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(N)=C1O	REAL300024829294	0	45	-1.0	-53.96	393.28	-2.67	-56.63
CN(CCNC(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829295	0	49	0.0	-84.55	415.12	1.29	-83.26
CN(C)CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024829295	1	48	-1.0	-52.79	412.82	-1.45	-54.24
CN(CCNC(=O)C1=CON=C1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829296	0	47	-1.0	-53.09	397.46	1.29	-51.80
CN(CCNC(=O)CC1(CO)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829297	0	49	-1.0	-50.24	400.25	-1.00	-51.24
CCCCC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C(C)O1	REAL300024829298	0	51	-1.0	-51.06	436.68	3.41	-47.65
CC1=C(C#N)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C(C)S1	REAL300024829299	0	43	-1.0	-54.64	404.27	2.08	-52.56
CN(CCNC(=O)C1CCCC2=C1N(C)N=N2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829300	0	48	-1.0	-59.39	406.06	-0.14	-59.53
CON=C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300024829301	0	43	-1.0	-52.86	388.43	0.48	-52.38
CN(CCNC(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829302	0	38	-2.0	-85.87	369.16	-1.87	-87.74
CN(CCNC(=O)C1CCN2N=CN=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829303	0	45	-1.0	-54.75	388.63	1.43	-53.32
CN(CCNC(=O)C1CC(=O)NC1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829304	0	46	-1.0	-55.99	391.42	-2.05	-58.04
CN(CCNC(=O)[C@]12CCC[C@H]1CC(=O)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829305	0	48	-1.0	-58.33	398.97	1.79	-56.54
CNC(=O)N1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829306	0	51	-1.0	-59.69	423.56	-0.59	-60.28
CN(CCNC(=O)C1CCC2(CC(=O)C2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829307	0	51	-1.0	-54.64	421.46	2.46	-52.18
CN(CCNC(=O)C1=NNC(C(F)(F)F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829308	0	41	-1.0	-50.71	380.16	-1.83	-52.54
CN(CCNC(=O)C1CC2=CC(N)=CC=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829309	0	47	-1.0	-54.85	406.59	-1.46	-56.31
CN(CCNC(=O)C1=CC=C2OC(N)=NC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829310	0	43	-1.0	-58.53	385.27	-3.55	-62.08
CN(CCNC(=O)CC1=CN=CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829311	0	38	-1.0	-57.74	348.40	-3.03	-60.77
CN(CCNC(=O)CC12CCC(CC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829312	0	49	-1.0	-51.58	396.52	2.69	-48.89
CN(CCNC(=O)C[C@@H]1CC=CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829313	0	46	-1.0	-51.84	385.14	2.32	-49.52
CC(=CC1=CC=CS1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829314	0	43	-1.0	-52.20	382.89	2.03	-50.17
COCCOCC=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829315	0	47	-1.0	-56.34	415.64	-0.97	-57.31
CN(CCNC(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829316	0	46	0.0	-72.28	383.89	1.73	-70.55
CN(CCNC(=O)CN1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829316	1	45	-1.0	-52.74	382.48	-0.68	-53.42
CCCC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=NN1CC	REAL300024829317	0	50	-1.0	-52.03	430.78	0.64	-51.39
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)N1C=CC=N1	REAL300024829318	0	48	-1.0	-58.48	404.94	1.53	-56.95
CN(CCNC(=O)C1=C2COCCC2=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829319	0	47	-1.0	-53.97	408.21	-0.89	-54.86
CN(CCNC(=O)[C@H]1C[C@H](N2C=CN=N2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829320	0	45	-1.0	-61.91	391.90	-0.17	-62.08
CC1CNC2=CC=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=C21	REAL300024829321	0	48	-1.0	-54.02	408.87	1.22	-52.80
CN(CCNC(=O)[C@H]1CCCC[C@H]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829322	0	57	-1.0	-49.36	425.49	3.68	-45.68
CN(CCNC(=O)CC1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829323	0	46	-1.0	-51.73	386.77	2.53	-49.20
CN(CCNC(=O)C1=NOC(CF)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829324	0	38	-1.0	-51.61	355.57	-0.33	-51.94
CN(CCNC(=O)C1=CC=CC=C1C(C)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829325	0	45	-1.0	-58.95	390.75	2.93	-56.02
CN(CCNC(=O)C1=CN(C2CCOC2)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829326	0	47	-1.0	-53.53	406.83	0.51	-53.02
CN(CCNC(=O)C1=CN2N=NC=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829327	0	41	-1.0	-59.20	370.43	-0.04	-59.24
CN(CCNC(=O)C1CCC(=C(F)F)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829328	0	46	-1.0	-53.02	396.54	2.31	-50.71
CN(CCNC(=O)C1CC2=NC=CN=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829329	0	44	-1.0	-54.94	385.12	-0.48	-55.42
CN(CCNC(=O)C1CNC2=CC=NN2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829330	0	45	-1.0	-56.41	388.11	-0.97	-57.38
CN(CCNC(=O)C12COC(C=CC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829331	0	45	-1.0	-52.26	380.02	-0.02	-52.28
CN(CCNC(=O)CCCC(F)(F)CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829332	0	45	-1.0	-57.92	399.15	-1.66	-59.58
CN(CCNC(=O)C(C1CC1)C1CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829333	0	50	-1.0	-53.69	414.72	2.60	-51.09
CN(CCNC(=O)CC1([NH+]2CCCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829334	0	52	0.0	-70.79	412.53	2.52	-68.27
CC1CCC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024829335	0	54	-1.0	-51.19	430.84	3.48	-47.71
C#CCC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024829336	0	47	-1.0	-51.26	393.68	3.14	-48.12
CN(CCNC(=O)C1=C2N=CC=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829337	0	42	-1.0	-64.81	377.28	2.20	-62.61
CC1=NN(C2CCC2)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829338	0	49	-1.0	-51.58	418.12	1.97	-49.61
CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C(F)C=C1N	REAL300024829339	0	44	-1.0	-57.53	385.52	0.17	-57.36
CN(CCNC(=O)CC1=COC(C(F)F)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829340	0	41	-1.0	-63.57	382.96	-2.09	-65.66
COC(=O)NCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829341	0	43	-1.0	-58.84	384.86	-3.13	-61.97
CN(CCNC(=O)C1=COCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829342	0	38	-1.0	-52.08	339.66	-1.02	-53.10
CN(CCNC(=O)C(=O)C1=CC=C(Cl)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829343	0	41	-1.0	-47.03	385.87	1.81	-45.22
CN(CCNC(=O)C1=CC=C2CCOC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829344	0	44	-1.0	-56.22	384.45	1.31	-54.91
CSC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024829345	0	40	-1.0	-54.01	377.94	1.46	-52.55
CN(CCNC(=O)C1=CNC2=CC(N)=CC=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829346	0	45	-1.0	-59.63	395.74	-0.70	-60.33
CN(CCNC(=O)CCC1=CSC(N)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829347	0	43	-1.0	-52.44	394.24	-1.09	-53.53
CN(CCNC(=O)C1=NC(Cl)=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829348	0	38	-1.0	-52.66	366.99	0.24	-52.42
CC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(N)C=C1	REAL300024829349	0	50	-1.0	-51.85	422.87	1.22	-50.63
CN(CCNC(=O)C1=CC2=NC=CC=C2N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829350	0	43	-1.0	-56.39	384.67	-0.06	-56.45
CN(CCNC(=O)C1=CN=C(Cl)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829351	0	35	-1.0	-50.03	352.85	-0.88	-50.91
CN(CCNC(=O)C1CC2(C1)CCCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829352	0	52	-1.0	-51.15	419.36	3.33	-47.82
CN(CCNC(=O)CCC(C)(C)O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829353	0	45	-1.0	-51.25	383.11	-2.08	-53.33
COCCC(C)(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829354	0	51	-1.0	-50.59	414.32	0.59	-50.00
COC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(O)C=C1	REAL300024829355	0	47	-1.0	-54.73	416.58	-0.57	-55.30
COC1=CC(C)=C(N)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829356	0	48	-1.0	-51.03	406.63	-0.29	-51.32
CN(CCNC(=O)C1CCC2(CCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829357	0	52	-1.0	-50.78	418.22	3.35	-47.43
CCOC1=CC=C(N)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829358	0	48	-1.0	-50.74	409.46	-0.12	-50.86
COC(OC)C1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829359	0	47	-1.0	-53.29	414.60	-0.35	-53.64
CN(CCNC(=O)C(CO)C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829360	0	48	-1.0	-49.72	387.10	-1.41	-51.13
CN(CCNC(=O)C1=CC=CC(S(C)=O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829361	0	44	-1.0	-57.44	400.55	0.02	-57.42
CN(CCNC(=O)C1=CC=C(O)C=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829362	0	40	-1.0	-54.77	372.11	-0.87	-55.64
CN(CCNC(=O)C1=CC=C([O-])C=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829362	1	39	-2.0	-92.36	368.54	-0.09	-92.45
CC1=NC(C)=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024829363	0	46	-1.0	-51.38	403.70	0.32	-51.06
CN(CCNC(=O)C1=CC(C#N)=C(N)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829364	0	42	-2.0	-100.61	387.33	-0.73	-101.34
CN(CCNC(=O)C(=O)C1=CC=C(F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829365	0	41	-1.0	-47.26	375.55	1.35	-45.91
CN(CCNC(=O)C1=CC(C#N)=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829366	0	39	-1.0	-53.92	366.46	0.12	-53.80
CN(C)C1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024829367	0	46	-1.0	-57.51	404.48	0.68	-56.83
CN(C)C1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829368	0	43	-1.0	-52.43	385.53	-2.25	-54.68
COC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024829369	0	49	-1.0	-49.34	398.63	0.98	-48.36
CC1CCC(C2(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024829370	0	55	-1.0	-51.14	438.74	4.37	-46.77
CN(CCNC(=O)C=CCN1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829371	0	49	-1.0	-52.86	416.40	-1.70	-54.56
CCC(C#N)(CC)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829372	0	45	-1.0	-49.09	383.76	0.92	-48.17
CN(CCNC(=O)C1=NOC2=CC=CC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829373	0	41	-1.0	-51.15	373.67	0.73	-50.42
CCOC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)OCC	REAL300024829374	0	49	-1.0	-53.10	416.28	0.62	-52.48
CN(CCNC(=O)C(F)(F)CC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829375	0	42	-1.0	-47.91	376.70	1.60	-46.31
CN(CCNC(=O)CC1=NC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829376	0	38	-2.0	-109.27	365.58	-4.23	-113.50
CN(CCNC(=O)CN1N=CC(C#N)=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829377	0	42	-1.0	-58.96	389.04	-1.20	-60.16
CN(CCNC(=O)C1=C(N)N(CCO)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829378	0	45	-1.0	-53.52	396.93	-4.30	-57.82
CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024829379	0	40	-1.0	-53.47	357.65	-0.18	-53.65
CN(CCNC(=O)C1(Br)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829380	0	36	-1.0	-48.98	343.23	0.57	-48.41
CN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829381	0	48	0.0	-70.79	381.49	1.29	-69.50
CN(CCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829381	1	48	0.0	-70.73	381.46	1.29	-69.44
CN(CCNC(=O)C1CCCCN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829381	1	47	-1.0	-51.62	387.54	-0.76	-52.38
CN(CCNC(=O)CCOC1=CC=C(N)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829382	0	48	-1.0	-53.26	417.95	-0.38	-53.64
CN(CCNC(=O)C1=CC=NN=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829383	0	37	-1.0	-57.24	351.34	-0.94	-58.18
CCOC(=O)NCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829384	0	46	-1.0	-58.63	406.72	-2.20	-60.83
CSCC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024829385	0	46	-1.0	-52.99	414.74	3.35	-49.64
CN(CCNC(=O)C1(O)CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829386	0	46	-1.0	-52.55	381.23	-1.22	-53.77
CN(CCNC(=O)C(=O)C=CC1=CC=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829387	0	42	-1.0	-50.37	395.81	1.66	-48.71
CN(CCNC(=O)C1=CC=C(O)C(N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829388	0	42	-1.0	-53.49	373.52	-3.39	-56.88
CN(CCNC(=O)CNC1=NC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829389	0	42	-1.0	-54.69	377.78	0.18	-54.51
CN(CCNC(=O)CSCC1=CC=CN=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829390	0	45	-1.0	-57.03	412.24	1.71	-55.32
CN(CCNC(=O)C1=CN=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829391	0	38	-1.0	-52.72	356.35	0.18	-52.54
CN(CCNC(=O)CN1C=C([N+](=O)[O-])C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829392	0	41	-1.0	-62.54	383.63	0.29	-62.25
CC(C)C[N@@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829393	0	57	0.0	-72.18	449.76	3.57	-68.61
CC(C)C[N@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829393	1	57	0.0	-66.11	443.46	3.76	-62.35
CN(CCNC(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829394	0	41	-1.0	-59.77	383.17	2.27	-57.50
CN(CCNC(=O)C1=CC=C(N)C(N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829395	0	43	-1.0	-54.44	375.34	-2.53	-56.97
CN(CCNC(=O)CNS(C)(=O)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829396	0	40	-1.0	-60.62	369.72	-5.36	-65.98
CN(CCNC(=O)C1=C(O)C=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829397	0	40	-1.0	-55.15	369.09	-1.44	-56.59
CN(CCNC(=O)C1=C([O-])C=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829397	1	39	-2.0	-102.42	365.79	-0.65	-103.07
CC(C)CC(NC(N)=O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829398	0	50	-1.0	-59.32	417.60	-1.98	-61.30
CN(CCNC(=O)CC1CC(F)(F)C1(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829399	0	42	-1.0	-56.24	384.99	1.48	-54.76
CN(CCNC(=O)CN1[N-]C(=O)C=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829400	0	41	-2.0	-99.21	380.59	-3.58	-102.79
CC1=CC=C(NCCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024829401	0	50	-1.0	-53.72	429.40	1.72	-52.00
CN(CCNC(=O)C1=CC=C(F)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829402	0	39	-2.0	-104.31	360.29	1.08	-103.23
CN(CCNC(=O)C1=CC=C(F)C=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829402	1	40	-1.0	-53.90	363.58	0.05	-53.85
CN(CCNC(=O)C1=CC=C(N)C=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829403	0	42	-1.0	-56.28	372.06	-2.14	-58.42
CN(CCNC(=O)C1(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829404	0	37	-1.0	-51.29	331.79	-3.16	-54.45
CN(CCNC(=O)C(=O)CC1=CC=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829405	0	41	-1.0	-48.66	386.53	1.21	-47.45
COC(=O)N(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829406	0	43	-1.0	-57.08	383.48	-0.86	-57.94
C=CCN1C=CN=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829407	0	43	-1.0	-52.03	384.50	1.35	-50.68
CN(CCNC(=O)CSC1=NN=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829408	0	38	-1.0	-53.31	374.67	-1.12	-54.43
CN(CCNC(=O)COC1=CC=CC=C1C#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829409	0	44	-1.0	-64.65	402.12	2.41	-62.24
CN(CCNC(=O)CN(C)C1=NC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829410	0	45	-1.0	-57.22	398.32	2.53	-54.69
CC1=C(N)C=C(F)C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829411	0	44	-1.0	-50.50	382.06	0.18	-50.32
CN(CCNC(=O)C(O)C1=CC=C(C#N)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829412	0	44	-1.0	-56.42	401.65	0.61	-55.81
CN(CCNC(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829413	0	40	-1.0	-55.46	384.55	2.24	-53.22
CNC1=C(F)C=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829414	0	44	-1.0	-54.27	385.53	0.64	-53.63
CN(CCNC(=O)C1=CC=C([N+](=O)[O-])C(N)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829415	0	42	-1.0	-49.54	384.31	-0.64	-50.18
CN(CCNC(=O)C1=CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829416	0	37	-1.0	-52.42	333.96	0.49	-51.93
C=CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024829417	0	51	-1.0	-50.71	407.83	3.01	-47.70
CN(CCNC(=O)C1=CC=CC2=C1C(=O)NC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829418	0	44	-1.0	-67.74	384.93	0.43	-67.31
CN(CCNC(=O)C1=CC(C(N)=O)=NO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829419	0	39	-1.0	-52.30	365.85	-4.47	-56.77
CC1=CC=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1O	REAL300024829420	0	46	-1.0	-55.95	404.34	0.04	-55.91
COC1=NOC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829421	0	42	-1.0	-58.50	381.17	-2.26	-60.76
CN(CCNC(=O)C(O)CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829422	0	46	-1.0	-52.41	404.37	0.86	-51.55
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)NC=C1	REAL300024829423	0	42	-1.0	-59.58	366.39	-0.65	-60.23
CN(CCNC(=O)C1CC2(CCC2)CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829424	0	47	-1.0	-55.21	396.29	1.47	-53.74
CN(CCNC(=O)C1=CC(CC2CCC2)=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829425	0	50	-1.0	-54.08	427.26	2.79	-51.29
CC1=CSC2=NC=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)N12	REAL300024829426	0	42	-1.0	-54.76	380.44	1.59	-53.17
CC1=C2NC=NC2=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829427	0	45	-1.0	-56.35	395.36	1.71	-54.64
CN(CCNC(=O)[C@H]1C[C@@](F)(CO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829428	0	43	-1.0	-51.80	378.37	-2.24	-54.04
CC1CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024829429	0	40	-1.0	-48.90	358.09	-1.26	-50.16
CN(CCNC(=O)C1=C2C=CC=CC2=NS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829430	0	41	-1.0	-53.89	379.20	1.38	-52.51
CC(C)C1=NOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829431	0	46	-1.0	-58.53	399.47	1.21	-57.32
C=CC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024829432	0	47	-1.0	-50.81	386.36	0.78	-50.03
CC1=CC=CC2=CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)=NN21	REAL300024829433	0	45	-1.0	-55.48	400.86	1.66	-53.82
CN(CCNC(=O)CC1CC2(CCC2)CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829434	0	50	-1.0	-54.17	416.40	1.75	-52.42
CN(CCNC(=O)C[C@@H]1CC2=CC=CC=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829435	0	48	-1.0	-52.93	410.69	1.48	-51.45
CN(CCNC(=O)C1=CC2CCCCCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829436	0	50	-1.0	-51.24	408.76	3.34	-47.90
CN(CCNC(=O)C1=C2C(=O)NCCN2N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829437	0	44	-1.0	-63.98	387.39	-1.83	-65.81
COC(=O)[C@@H]1C[C@@]1(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024829438	0	51	-1.0	-57.29	430.26	2.43	-54.86
CN(CCNC(=O)C1CC2=CC=C(F)C=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829439	0	45	-1.0	-54.83	397.85	0.73	-54.10
CN(CCNC(=O)C1=NN=C2CCCCN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829440	0	45	-1.0	-52.77	387.65	1.42	-51.35
CN(CCNC(=O)[C@@H]1CCCC[C@H]1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829441	0	46	-1.0	-52.84	384.07	-0.50	-53.34
CN(CCNC(=O)C1(C)C=CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829442	0	46	-1.0	-51.17	382.03	2.09	-49.08
CN(CCNC(=O)C1=CNC2=NC=NN2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829443	0	42	-1.0	-53.60	372.68	2.01	-51.59
CN(CCNC(=O)C1=CN=C2C(F)=CC=CN12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829444	0	42	-1.0	-56.08	380.22	1.83	-54.25
CN(CCNC(=O)C1=NC2=NC=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829445	0	41	-1.0	-56.28	372.41	2.65	-53.63
CN(CCNC(=O)CC1CC2(CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829446	0	46	-1.0	-52.20	393.24	2.58	-49.62
CCCN1C(=O)CCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829447	0	49	-1.0	-58.94	417.11	0.82	-58.12
CC1=CC=C(F)C([O-])=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829448	0	42	-2.0	-108.71	384.97	-0.12	-108.83
CC1=CC=C(F)C(O)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829448	1	43	-1.0	-54.50	388.53	-0.89	-55.39
CN(CCNC(=O)C1=CN=CC=C1C(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829449	0	41	-1.0	-57.38	369.08	0.61	-56.77
CC1CCCC(O)(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829450	0	52	-1.0	-52.11	412.13	0.04	-52.07
CN(CCNC(=O)CSC1CCCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829451	0	47	-1.0	-53.43	411.52	0.87	-52.56
CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CN1C	REAL300024829452	0	43	-1.0	-57.72	377.32	1.50	-56.22
CN(CCNC(=O)CC12CC(C)(C1)OC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829453	0	47	-1.0	-54.96	395.92	0.35	-54.61
CN(CCNC(=O)C1(F)CC2(CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829454	0	46	-1.0	-49.50	395.29	2.32	-47.18
CN(CCNC(=O)C1CCN2N=CC=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829455	0	46	-1.0	-53.79	394.21	0.75	-53.04
CC1CCCC2=CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)=NN21	REAL300024829456	0	49	-1.0	-54.01	416.22	1.55	-52.46
CN(CCNC(=O)CN1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829457	0	56	0.0	-73.53	441.88	0.56	-72.97
CN(CCNC(=O)C1=CC=C2SN=CC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829458	0	41	-1.0	-53.38	379.94	1.63	-51.75
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)NC2=C1CCCC2	REAL300024829459	0	50	-1.0	-53.09	416.96	2.35	-50.74
CCC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)NC(C)=N1	REAL300024829460	0	45	-1.0	-54.03	392.02	0.18	-53.85
CN(CCNC(=O)C1CC2(CC(O)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829461	0	47	-1.0	-51.92	400.16	-1.12	-53.04
CN(CCNC(=O)C1=CC=C(CCF)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829462	0	45	-1.0	-53.06	398.10	3.04	-50.02
CN(CCNC(=O)C12CC(CF)(C1)OC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829463	0	44	-1.0	-54.24	385.84	-0.30	-54.54
CN(CCNC(=O)C1COC(=O)N1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829464	0	41	-1.0	-60.20	365.39	-1.60	-61.80
CN(CCNC(=O)C1CCCCC12OCCO2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829465	0	51	-1.0	-52.56	412.26	1.65	-50.91
CCSC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829466	0	43	-1.0	-49.07	388.02	1.68	-47.39
CCN1C=CN=C1C=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829467	0	46	-1.0	-53.86	408.38	2.17	-51.69
CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1C=NC=N1	REAL300024829468	0	44	-1.0	-53.32	383.88	1.97	-51.35
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C(C(C)(C)C)N1	REAL300024829469	0	52	-1.0	-51.96	435.57	2.23	-49.73
CN(CCNC(=O)CC1=NN=C(N)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829470	0	39	-1.0	-57.94	368.39	-2.64	-60.58
COC1=NC=C(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024829471	0	45	-1.0	-55.84	405.06	-2.62	-58.46
CC(CF)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829472	0	38	-1.0	-49.91	338.57	-0.05	-49.96
CN(CCNC(=O)C1(O)CCCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829473	0	52	-1.0	-51.29	413.58	0.11	-51.18
CC(=CC1CCC(C)CC1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829474	0	55	-1.0	-51.28	437.87	4.11	-47.17
CC(Cl)=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829475	0	36	-1.0	-52.88	338.78	0.28	-52.60
CN(CCNC(=O)C=CC1=CC=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829476	0	40	-1.0	-51.42	373.13	1.72	-49.70
CN(CCNC(=O)C1(N2CCOCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829477	0	49	-1.0	-49.98	402.90	-1.26	-51.24
CN(CCNC(=O)C1(OC2=CC=CC=C2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829478	0	47	-1.0	-49.32	407.19	2.50	-46.82
CN(CCNC(=O)C1=NOC(C2(C)CC2)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829479	0	45	-1.0	-49.97	399.62	1.53	-48.44
CN(CCNC(=O)C1CNC(=O)N1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829480	0	42	-1.0	-60.94	368.87	-3.09	-64.03
CN(CCNC(=O)C=CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829481	0	43	-1.0	-52.55	382.89	2.64	-49.91
CCC(F)(F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829482	0	38	-1.0	-47.28	344.99	0.06	-47.22
CN(CCNC(=O)C1CCCCC1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829483	0	45	-1.0	-49.34	377.73	1.91	-47.43
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024829484	0	50	-1.0	-57.56	419.49	2.78	-54.78
CN(CCNC(=O)C1(C)CC1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829485	0	39	-1.0	-55.40	346.19	0.63	-54.77
CN(CCNC(=O)C1CCNC2=CC=CC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829486	0	48	-1.0	-53.60	405.47	1.38	-52.22
CSCCCCCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829487	0	51	-1.0	-52.34	443.96	3.50	-48.84
CCC(F)(F)C(C)(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829488	0	47	-1.0	-57.57	394.60	1.73	-55.84
CN(CCNC(=O)C1(C#N)CCCOC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829489	0	44	-1.0	-49.77	382.29	-0.67	-50.44
CC(=CC1=CC=NC=C1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829490	0	45	-1.0	-52.94	390.68	1.46	-51.48
CC1=CC2=CC=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=C2C=C1	REAL300024829491	0	48	-1.0	-53.60	415.77	4.36	-49.24
COC1=CC=CC=C1C=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829492	0	47	-1.0	-55.80	411.24	2.00	-53.80
CN(CCNC(=O)C=CC1=CC(F)=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829493	0	43	-1.0	-53.37	395.08	2.77	-50.60
CN(CCNC(=O)C(C#N)=CC1=COC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829494	0	41	-1.0	-52.38	377.84	0.85	-51.53
CN(CCNC(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829495	0	50	-1.0	-52.68	402.86	0.83	-51.85
CN(CCNC(=O)CC1=C(Cl)C=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829496	0	42	-1.0	-56.70	390.89	0.17	-56.53
CC1=CC2=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=CC=C2O1	REAL300024829497	0	45	-1.0	-56.75	395.39	2.59	-54.16
CN(CCNC(=O)C=CC1=CSC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829498	0	39	-1.0	-52.96	369.30	-0.18	-53.14
CN(CCNC(=O)C(C#N)=CC1=CC=CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829499	0	41	-1.0	-52.31	381.63	1.12	-51.19
CN(CCNC(=O)[C@@H]1CCC(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829500	0	39	-1.0	-60.85	351.31	0.40	-60.45
CN(CCNC(=O)C1CCNC2=C1N=NN2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829501	0	47	-1.0	-53.47	403.57	-1.69	-55.16
CN(CCNC(=O)C[C@@H]1COC[C@H]1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829502	0	44	-1.0	-57.11	378.34	-4.17	-61.28
CN(CCNC(=O)CSC1=CC=CC(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829503	0	43	-1.0	-55.32	398.18	2.67	-52.65
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)SC(F)=C1	REAL300024829504	0	39	-1.0	-48.81	364.07	1.27	-47.54
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024829505	0	49	-1.0	-52.68	422.56	4.16	-48.52
CN(CCNC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829506	0	43	-1.0	-51.78	378.26	1.87	-49.91
CCOC(=O)C1=CON=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829507	0	44	-1.0	-58.61	401.09	1.29	-57.32
CN(CCNC(=O)C1=CC2(C1)CCOCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829508	0	48	-1.0	-52.32	407.90	1.03	-51.29
CN(CCNC(=O)C1=CN=C2OC=CC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829509	0	41	-1.0	-55.08	370.67	-1.28	-56.36
CN(CCNC(=O)CCCC1CCCC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829510	0	52	-1.0	-60.16	433.84	0.23	-59.93
CCOC(=O)C1=NNC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829511	0	45	-1.0	-54.82	408.93	-0.60	-55.42
C=CCC1=CC=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829512	0	46	-1.0	-51.57	396.08	3.39	-48.18
COC1C[C@@H]2CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C[C@H]12	REAL300024829513	0	50	-1.0	-53.21	410.65	1.64	-51.57
CN(CCNC(=O)C1C2CCOCC21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829514	0	44	-1.0	-51.28	376.79	0.04	-51.24
CC1=CN(C(C)C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024829515	0	45	-1.0	-57.69	393.85	0.73	-56.96
CC(C)C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1C=NN=C1	REAL300024829516	0	47	-1.0	-59.42	397.07	2.55	-56.87
CN(CCNC(=O)CCC1=CC=C(F)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829517	0	44	-1.0	-53.66	395.64	1.09	-52.57
CN(CCNC(=O)C1(C#N)CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829518	0	44	-1.0	-48.71	379.92	1.53	-47.18
CN(CCNC(=O)C=CCF)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829519	0	36	-1.0	-53.77	332.99	-0.12	-53.89
CN(CCNC(=O)C1(CC(F)F)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829520	0	45	-1.0	-53.48	386.12	1.67	-51.81
CN(CCNC(=O)C(F)CC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829521	0	42	-1.0	-51.19	372.91	1.51	-49.68
CCC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024829522	0	48	-1.0	-50.59	398.71	2.57	-48.02
CC1=C(O)C=C(N)C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829523	0	45	-1.0	-53.51	388.99	-2.77	-56.28
CC1=C2N=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=CN2N=C1	REAL300024829524	0	44	-1.0	-51.91	394.86	1.09	-50.82
CC(C)CCC(=O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829525	0	46	-1.0	-47.51	396.85	1.16	-46.35
CN(CCNC(=O)C1(C2=CC=CN=C2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829526	0	48	-1.0	-51.29	410.93	1.88	-49.41
CN(CCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829527	0	46	0.0	-76.87	387.40	1.40	-75.47
CN(CCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829527	1	46	0.0	-77.24	386.44	1.42	-75.82
CN(CCNC(=O)C1=CC=NC2=C1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829528	0	45	-1.0	-52.94	386.48	1.54	-51.40
CN(CCNC(=O)C=CCN1C=NC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829529	0	42	-1.0	-60.64	383.26	2.18	-58.46
CC(C)C1CCC(C)CC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829530	0	57	-1.0	-50.68	439.71	3.81	-46.87
CN(CCNC(=O)C=CC1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829531	0	52	-1.0	-50.97	422.26	3.47	-47.50
CSC1=CC=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024829532	0	42	-1.0	-50.70	389.05	0.89	-49.81
CN(CCNC(=O)CNC1=CC=[NH+]C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829533	0	44	0.0	-73.53	384.26	-0.88	-74.41
CN(CCNC(=O)CC1SC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829534	0	39	-2.0	-91.30	372.58	-5.02	-96.32
CN(CCNC(=O)C=CC1=CC=CC=C1C#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829535	0	44	-1.0	-60.44	401.71	2.86	-57.58
CC1=NN=C(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829536	0	43	-1.0	-55.80	386.75	-4.13	-59.93
CN(CCNC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829537	0	49	-1.0	-50.65	414.33	0.97	-49.68
CN(CCNC(=O)C1=NN(CCF)C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829538	0	44	-1.0	-51.26	399.51	-0.38	-51.64
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(N)=C1	REAL300024829539	0	47	-1.0	-53.24	404.23	0.56	-52.68
CC1=C(C)NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024829540	0	42	-1.0	-51.65	373.05	-0.71	-52.36
CC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)CN1CCOCC1	REAL300024829541	0	52	-1.0	-51.57	430.80	-1.11	-52.68
COC(=O)C1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C(C)O1	REAL300024829542	0	45	-1.0	-51.47	407.94	1.04	-50.43
CN(CCNC(=O)C1=NC=C2C(F)=CC=CN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829543	0	42	-1.0	-52.06	382.10	2.03	-50.03
CCOC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024829544	0	46	-1.0	-49.19	390.53	0.12	-49.07
CCOC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024829545	0	50	-1.0	-49.11	407.37	-0.96	-50.07
CC1=CC(N)=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024829546	0	44	-1.0	-54.78	393.38	-0.07	-54.85
CC1=NSC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829547	0	41	-1.0	-56.52	379.53	0.55	-55.97
CN(CCNC(=O)C1=C(C2CCC2)OC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829548	0	45	-1.0	-51.41	393.34	-1.01	-52.42
CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829549	0	38	-1.0	-61.24	345.66	-4.26	-65.50
COC(=O)[C@@H]1CC[C@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829550	0	48	-1.0	-58.92	410.52	1.70	-57.22
CC(O)C1=CC=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829551	0	46	-1.0	-53.65	390.39	-0.27	-53.92
CC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300024829552	0	43	-1.0	-50.92	382.43	1.51	-49.41
CC1=NN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)O1	REAL300024829553	0	41	-1.0	-59.79	377.54	-3.03	-62.82
CN(CCNC(=O)CCCCC#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829554	0	42	-1.0	-55.25	377.08	1.22	-54.03
CN(CCNC(=O)C1=C2SC=CN2N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829555	0	39	-1.0	-57.29	368.45	0.17	-57.12
CN(CCNC(=O)C1=CC(F)=CNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829556	0	39	-1.0	-57.33	356.94	-1.26	-58.59
CN(CCNC(=O)C(O)C1=CC=CC(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829557	0	43	-1.0	-51.16	398.08	0.70	-50.46
CC1=NNC(=O)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829558	0	41	-1.0	-52.44	367.33	-2.14	-54.58
CN(CCNC(=O)C1=C(C#N)N(C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829559	0	40	-1.0	-56.57	372.00	-0.68	-57.25
CN(CCNC(=O)C1=NC2=CC=CNC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829560	0	42	-1.0	-66.82	378.31	-0.40	-67.22
CN(CCNC(=O)C1(CO)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829561	0	40	-1.0	-55.44	355.91	-2.93	-58.37
CCC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300024829562	0	46	-1.0	-54.62	400.07	1.41	-53.21
CN(CCNC(=O)C1=CC=C(CO)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829563	0	42	-1.0	-53.50	374.10	-2.89	-56.39
CN(CCNC(=O)C1=CC=C([O-])C(F)=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829564	0	39	-2.0	-96.43	366.39	-0.48	-96.91
CSC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=NN1C	REAL300024829565	0	43	-1.0	-54.15	394.54	0.09	-54.06
CCC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024829566	0	47	-1.0	-51.19	398.63	1.34	-49.85
CN(CCNC(=O)C1=CC([N+](=O)[O-])=CNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829567	0	41	-1.0	-59.74	378.69	-0.68	-60.42
CN(CCNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829567	1	40	-2.0	-80.98	375.59	-1.82	-82.80
CN(CCNC(=O)[C@H](O)C1=CC=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829568	0	43	-1.0	-49.99	388.21	0.80	-49.19
CN(CCNC(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829569	0	38	-1.0	-56.96	369.67	1.19	-55.77
CN(CCNC(=O)C1=CC=C2NC(=O)CC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829570	0	44	-1.0	-55.81	390.32	-0.11	-55.92
CN(CCNC(=O)C1=CC([N+](=O)[O-])=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829571	0	39	-1.0	-58.81	365.91	-0.01	-58.82
CC1=CC(C)=C(N)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829572	0	47	-1.0	-50.65	398.57	1.08	-49.57
CN(CCNC(=O)C1=CC=CC(Cl)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829573	0	39	-2.0	-104.92	369.92	1.53	-103.39
CN(CCNC(=O)CCSC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829574	0	46	-1.0	-52.04	413.44	3.40	-48.64
CN(CCNC(=O)C1=CC=NO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829575	0	35	-1.0	-49.75	327.06	-1.13	-50.88
CN(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829576	0	41	-1.0	-56.13	381.34	2.20	-53.93
CN(CCNC(=O)[C@@H]1CC2=CC=CC=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829577	0	45	-1.0	-54.10	391.42	0.67	-53.43
CNC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(C)=NS1	REAL300024829578	0	43	-1.0	-52.46	394.05	-1.48	-53.94
CN(CCNC(=O)C1=CC=C(N)C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829579	0	41	-1.0	-55.19	368.75	-0.59	-55.78
CN(CCNC(=O)C(=O)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829580	0	41	-1.0	-48.74	368.90	1.27	-47.47
CN(CCNC(=O)C1=CC=CC(Cl)=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829581	0	41	-1.0	-51.02	373.42	0.21	-50.81
CSC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC=C1N	REAL300024829582	0	45	-1.0	-53.90	400.92	0.39	-53.51
CN(CCNC(=O)C1=CC=C(F)C=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829583	0	41	-1.0	-50.01	365.37	-0.27	-50.28
CC1=NSC(N)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829584	0	40	-1.0	-52.41	371.89	-2.52	-54.93
CN(CCNC(=O)C1CNC2=CC=CC=C2O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829585	0	46	-1.0	-56.40	400.32	0.53	-55.87
CN(CCNC(=O)CC1C=CS(=O)(=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829586	0	43	-1.0	-58.21	386.92	-2.45	-60.66
CC(=O)C1=CC=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829587	0	44	-1.0	-53.85	388.88	1.84	-52.01
CN(CCNC(=O)CSC1=CC=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829588	0	43	-1.0	-57.67	397.26	2.62	-55.05
CC(=O)C1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024829589	0	44	-1.0	-57.62	391.34	1.96	-55.66
COC1=CC=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024829590	0	45	-1.0	-52.33	386.48	-0.94	-53.27
CN(CCNC(=O)C1=C(O)C=CC=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829591	0	41	-1.0	-55.89	373.81	-4.27	-60.16
CN(CCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024829592	0	35	0.0	-25.25	325.77	-4.53	-29.78
CN(CCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024829592	1	34	-1.0	-57.95	322.36	-5.38	-63.33
CC1=C(N)C=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829593	0	44	-1.0	-52.21	375.96	0.13	-52.08
CN(CCNC(=O)C1CCC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829594	0	40	-1.0	-59.63	355.26	-2.97	-62.60
CC1=NN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1[N+](=O)[O-]	REAL300024829595	0	44	-1.0	-62.54	401.30	0.73	-61.81
CN(C)C1=CC=C(N)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829596	0	49	-1.0	-51.21	409.27	0.05	-51.16
CN(CCNC(=O)C1=CCCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829597	0	41	-1.0	-51.74	363.96	1.46	-50.28
CC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024829598	0	41	-1.0	-56.49	367.48	-1.56	-58.05
C[C@H](O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829599	0	36	-1.0	-52.78	323.76	-2.99	-55.77
CC1=C(C)SC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024829600	0	44	-1.0	-55.27	398.45	0.53	-54.74
CC[NH+]1CCN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829601	0	53	0.0	-71.97	425.30	0.04	-71.93
CCN1CCN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829601	1	52	-1.0	-52.16	421.88	-2.34	-54.50
CN(CCNC(=O)[C@@](C)(O)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829602	0	46	-1.0	-50.84	395.92	-0.34	-51.18
CN(CCNC(=O)C1(O)CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829603	0	44	-1.0	-53.69	372.57	-3.64	-57.33
CN(CCNC(=O)C=C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829604	0	50	0.0	-68.80	404.95	2.26	-66.54
CCCC(CCC)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829605	0	53	-1.0	-50.84	426.77	3.22	-47.62
COC(=O)C1=NOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829606	0	41	-1.0	-50.96	384.16	-0.55	-51.51
CN(CCNC(=O)C1=CC=C(F)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829607	0	36	-1.0	-48.43	339.27	-0.42	-48.85
CCCC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)CCC	REAL300024829608	0	51	-1.0	-49.67	425.98	3.50	-46.17
CC1=CC(=O)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024829609	0	40	-2.0	-94.69	367.52	-0.37	-95.06
CN(CCNC(=O)C=C1CCSCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829610	0	44	-1.0	-50.94	384.10	1.88	-49.06
CON=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829611	0	36	-1.0	-53.80	335.70	-2.27	-56.07
C#CCC(C)(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829612	0	43	-1.0	-50.83	375.12	1.47	-49.36
CN(CCNC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829613	0	42	-1.0	-49.96	382.32	-0.55	-50.51
CN(CCNC(=O)C=C([O-])C1=CC=C(O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829614	0	44	-2.0	-108.73	397.57	-0.49	-109.22
CCSC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024829615	0	46	-1.0	-52.76	409.86	3.29	-49.47
CN(CCNC(=O)C[C@@H](O)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829616	0	46	-1.0	-54.91	401.26	0.64	-54.27
CN(CCNC(=O)C1=CN=C(N)C([N+](=O)[O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829617	0	42	-1.0	-55.02	383.92	-0.74	-55.76
CN(CCNC(=O)C1=CN=C(Cl)C(N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829618	0	40	-1.0	-51.47	372.96	-1.98	-53.45
CC1=NC=NC(C)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829619	0	43	-1.0	-51.16	381.60	0.33	-50.83
CN(CCNC(=O)C1=CC=C(F)C(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829620	0	40	-1.0	-56.24	375.06	1.87	-54.37
CN(CCNC(=O)CC(C)(C)N=[N+]=[N-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829621	0	43	-1.0	-48.76	373.97	-2.87	-51.63
COC(=O)C1=CN=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024829622	0	43	-1.0	-50.23	396.18	-1.53	-51.76
COC(=O)CC(C)(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829623	0	50	-1.0	-56.74	412.60	1.56	-55.18
CN(CCNC(=O)C1CC(C)(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829624	0	42	-1.0	-50.56	367.19	1.11	-49.45
CN(CCNC(=O)C1=C(N)C=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829625	0	41	-1.0	-52.35	369.24	-3.00	-55.35
CCSC1=CC=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829626	0	46	-1.0	-55.30	410.00	3.30	-52.00
CCC(C)(OC)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829627	0	45	-1.0	-49.05	375.55	-0.38	-49.43
CN(CCNC(=O)C1=C(N)C=C(F)C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829628	0	41	-1.0	-52.83	378.40	-0.68	-53.51
CN(CCNC(=O)C(=O)CCC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829629	0	49	-1.0	-47.39	413.02	1.56	-45.83
CN(CCNC(=O)C1=CC=C(F)C(CO)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829630	0	43	-1.0	-55.17	384.84	-1.02	-56.19
CCOC(=O)C1=NOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829631	0	44	-1.0	-50.76	406.02	0.38	-50.38
CCCC(CCCO)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829632	0	51	-1.0	-52.35	421.11	-0.85	-53.20
CN(CCNC(=O)[C@@H]1C[C@H]1C1=CC=CC(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829633	0	46	-1.0	-55.00	407.29	3.54	-51.46
COC(=O)[C@H]1CC[C@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829634	0	51	-1.0	-53.63	429.05	2.36	-51.27
CC(O)C1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024829635	0	42	-1.0	-54.87	389.22	-3.28	-58.15
CN(CCNC(=O)CC1CCCNC(=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829636	0	49	-1.0	-64.18	405.22	-1.03	-65.21
CC(C)[C@H](O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829637	0	42	-1.0	-52.07	360.58	-1.43	-53.50
CSC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024829638	0	43	-1.0	-48.96	380.13	1.53	-47.43
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(O)=C1	REAL300024829639	0	46	-1.0	-53.28	399.90	-0.19	-53.47
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=N1	REAL300024829640	0	44	-1.0	-54.15	383.73	0.75	-53.40
CC(=O)C1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC=C1C	REAL300024829641	0	47	-1.0	-53.12	406.11	2.57	-50.55
CN(CCNC(=O)C(O)C1=CC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829642	0	42	-1.0	-51.77	373.36	-1.17	-52.94
CN(CCNC(=O)C(C)(O)C1=CC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829643	0	45	-1.0	-54.40	393.79	-1.69	-56.09
CN(CCNC(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829644	0	39	-2.0	-124.09	359.15	0.93	-123.16
CN(CCNC(=O)C(C)(C)C1=CC=C(O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829645	0	49	-1.0	-55.10	414.99	0.20	-54.90
CN(CCNC(=O)CC1=CC=C(O)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829646	0	42	-1.0	-59.46	377.74	-2.35	-61.81
CN(CCNC(=O)CCCCCN1C=NN=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829647	0	49	-1.0	-64.74	428.67	1.66	-63.08
CNC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1N	REAL300024829648	0	46	-1.0	-54.17	395.21	-1.59	-55.76
CN(CCNC(=O)C1=CC=NC(N)=C1[N+](=O)[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829649	0	42	-1.0	-61.90	385.22	0.16	-61.74
COC1=CC=CN=C1C(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829650	0	48	-1.0	-56.92	414.06	0.47	-56.45
CN(CCNC(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829651	0	46	-1.0	-56.69	401.97	3.20	-53.49
CN(CCNC(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829652	0	51	0.0	-76.46	399.94	2.08	-74.38
CN(CCNC(=O)C1=CC=NN1CCF)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829653	0	42	-1.0	-52.12	376.96	0.16	-51.96
CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(C)=C1C#N	REAL300024829654	0	46	-1.0	-52.83	407.39	2.83	-50.00
CN(CCNC(=O)C1=C(C#N)SC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829655	0	37	-1.0	-59.75	357.95	0.79	-58.96
CN(CCNC(=O)C1=CN=C(F)C(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829656	0	38	-1.0	-51.04	365.95	0.09	-50.95
CN(CCNC(=O)CC1=CC(C#N)=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829657	0	42	-1.0	-57.07	387.59	0.90	-56.17
CN(CCNC(=O)CC=C(Cl)Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829658	0	36	-1.0	-50.43	356.68	0.80	-49.63
CN(C)C(=O)C=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829659	0	43	-1.0	-53.07	382.49	-0.79	-53.86
CC1=CC(C#N)=CC(C)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829660	0	46	-1.0	-52.15	412.11	2.75	-49.40
C#CC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829661	0	38	-1.0	-50.45	349.17	0.98	-49.47
CN(CCNC(=O)C1=CC=NC(CO)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829662	0	42	-1.0	-56.25	374.32	-2.88	-59.13
COC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(OC)=N1	REAL300024829663	0	46	-1.0	-56.07	405.47	-1.81	-57.88
CN(CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829664	0	52	0.0	-70.03	419.59	-0.74	-70.77
CN(CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829664	1	52	0.0	-69.37	419.55	-0.94	-70.31
CN(CCNC(=O)CN(C)[C@@H]1CCC[C@H]1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829664	1	51	-1.0	-52.58	417.81	-2.92	-55.50
CN(CCNC(=O)C1(F)C(F)(F)C1(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829665	0	36	-1.0	-47.58	354.09	0.33	-47.25
CN(CCNC(=O)C1=CN=C(C(C)(C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829666	0	47	-1.0	-54.85	409.79	-0.98	-55.83
CN(CCNC(=O)CC1=CN=CC(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829667	0	42	-1.0	-56.27	388.71	0.73	-55.54
C[C@H]1C2=CNN=C2CC[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829668	0	49	-1.0	-53.62	408.42	0.48	-53.14
CC(=O)NC1=CN=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829669	0	45	-1.0	-55.42	395.61	-1.05	-56.47
CCC1CN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829670	0	47	-1.0	-53.41	397.81	-1.33	-54.74
CCC1C[NH+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829670	1	48	0.0	-73.12	401.21	1.71	-71.41
CN(CCNC(=O)[C@@H]1C[C@H]1C1=CC=C(N)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829671	0	48	-1.0	-53.48	415.96	1.35	-52.13
CN(CCNC(=O)[C@H]1CCC(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829672	0	39	-1.0	-63.13	351.73	0.48	-62.65
CC1=CN(C)C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829673	0	43	-1.0	-56.99	376.85	1.72	-55.27
CN(CCNC(=O)C1C[NH+](C2CCOCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829674	0	53	0.0	-78.86	432.01	0.82	-78.04
CN(CCNC(=O)C=CC1=CC=C(Cl)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829675	0	43	-1.0	-51.96	399.88	3.18	-48.78
CN(CCNC(=O)C1([NH+]2CCCC2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829676	0	52	0.0	-74.15	408.56	2.56	-71.59
CN(CCNC(=O)C1=CC=C(N)C=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829677	0	42	-1.0	-56.28	372.06	-2.14	-58.42
CC(=O)CCC(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829678	0	49	-1.0	-53.32	414.27	1.84	-51.48
C=CC=CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829679	0	40	-1.0	-52.24	361.39	1.12	-51.12
COC(=O)[C@@H]1C[C@]1(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829680	0	45	-1.0	-55.55	397.31	1.06	-54.49
C=CCC(CC(C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829681	0	51	-1.0	-50.02	420.16	3.01	-47.01
CN(CCNC(=O)COCC1=CC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829682	0	45	-1.0	-56.64	400.21	0.81	-55.83
CN(CCNC(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829683	0	39	-2.0	-83.41	368.79	-2.14	-85.55
CN(CCNC(=O)C1CC2CCC(C1)S2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829684	0	47	-1.0	-53.20	389.30	2.29	-50.91
CN(CCNC(=O)CCNC(=O)C=CCl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829685	0	43	-1.0	-59.19	403.06	-1.38	-60.57
CN(CCNC(=O)C1=C2C=NN(C)C2=NC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829686	0	43	-1.0	-51.46	387.54	0.36	-51.10
CN(CCNC(=O)C=CC1=CN=CC(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829687	0	42	-1.0	-52.73	384.46	0.95	-51.78
COC(=O)[C@@H]1CC[C@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829688	0	46	-1.0	-63.85	405.03	0.99	-62.86
C#CC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024829689	0	41	-1.0	-50.44	365.00	1.40	-49.04
CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829690	0	45	0.0	-72.84	368.85	0.43	-72.41
CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829690	1	45	0.0	-68.89	374.84	0.93	-67.96
CN(CCNC(=O)[C@@H]1CCCN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829690	1	44	-1.0	-53.49	373.99	-1.36	-54.85
CCCC=CC(O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829691	0	46	-1.0	-51.34	401.50	-0.03	-51.37
CN(CCNC(=O)CCC1COC(C)(C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829692	0	50	-1.0	-53.09	424.76	0.30	-52.79
CN(CCNC(=O)C1CCOC2(CCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829693	0	53	-1.0	-52.73	424.39	1.74	-50.99
CN(CCNC(=O)CC1=NC(C2CC2)=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829694	0	45	-1.0	-54.92	408.61	1.29	-53.63
CN(CCNC(=O)C1CC=CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829695	0	41	-1.0	-54.39	359.30	0.39	-54.00
CN(CCNC(=O)C12CCOC1CCOC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829696	0	48	-1.0	-52.86	390.71	-0.16	-53.02
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C#N)C=C1	REAL300024829697	0	46	-1.0	-54.19	409.96	3.06	-51.13
CN(CCNC(=O)C1CCCNS1(=O)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829698	0	44	-1.0	-57.79	389.63	-4.49	-62.28
CN(CCNC(=O)CN1N=NC(C(C)(C)C)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829699	0	49	-1.0	-59.53	427.03	-0.25	-59.78
CN(CCNC(=O)C1=CN=C2CCCC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829700	0	45	-1.0	-52.62	389.16	1.54	-51.08
CN(CCNC(=O)C=CCCCCCCCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829701	0	55	-1.0	-54.04	466.81	1.09	-52.95
CN(CCNC(=O)CC1=CNC2=CC=CC=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829702	0	46	-1.0	-55.78	404.88	2.18	-53.60
CCCC1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024829703	0	44	-1.0	-51.12	400.52	0.69	-50.43
CN(CCNC(=O)C1CC2CCC(C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829704	0	49	-1.0	-53.89	374.05	2.79	-51.10
CN(CCNC(=O)C(F)(F)C1=NC=CN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829705	0	42	-1.0	-56.15	381.76	1.08	-55.07
CN(CCNC(=O)C=CC1=NC=CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829706	0	39	-1.0	-53.26	361.55	-2.36	-55.62
CC1=NC(C2CC2)=NC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829707	0	47	-1.0	-51.68	407.13	1.76	-49.92
COC(=O)C(OC)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829708	0	42	-1.0	-55.31	379.32	-0.14	-55.45
CC(=O)N[C@H]1CC[C@@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829709	0	52	-1.0	-54.69	429.66	0.44	-54.25
CN(CCNC(=O)C1CC(C)(C)OC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829710	0	55	-1.0	-51.10	440.43	1.96	-49.14
CN(CCNC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829711	0	41	-2.0	-88.85	382.49	0.70	-88.15
CC(CC1CCC1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829713	0	48	-1.0	-51.04	396.38	2.44	-48.60
CC1=NSC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024829714	0	40	-1.0	-50.47	366.53	-2.18	-52.65
CN(CCNC(=O)C1CCC2(C1)N=N2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829715	0	42	-1.0	-52.14	368.88	-4.22	-56.36
CN(CCNC(=O)C1=CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829716	0	43	-1.0	-51.71	375.76	1.63	-50.08
CN(CCNC(=O)CCC=CBr)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829717	0	39	-1.0	-51.11	369.02	1.19	-49.92
CN(CCNC(=O)CCC1=NNC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829718	0	42	-1.0	-53.68	374.22	-0.70	-54.38
CC1=NC2=NC=NN2C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829719	0	43	-1.0	-53.80	385.26	3.37	-50.43
CN(CCNC(=O)C12CC(C)(C1)OC21CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829720	0	51	-1.0	-52.07	420.28	1.50	-50.57
CN(CCNC(=O)C1=CN=NN1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829721	0	42	-1.0	-52.54	375.28	-0.58	-53.12
CN(CCNC(=O)C(C)(C)C1CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829722	0	49	-1.0	-54.79	400.64	1.33	-53.46
COC(=O)[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1(F)F	REAL300024829723	0	42	-1.0	-51.08	391.81	0.78	-50.30
CC1CCC(F)(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829724	0	48	-1.0	-50.20	399.77	2.31	-47.89
CN(CCNC(=O)C1CCC2(CC2(F)F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829725	0	46	-1.0	-53.13	401.10	2.49	-50.64
CN(CCNC(=O)C(F)=CC1=CNC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829726	0	40	-1.0	-55.75	368.92	0.68	-55.07
CN(CCNC(=O)CC1=CC=NC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829727	0	41	-1.0	-55.13	382.20	0.77	-54.36
CN(CCNC(=O)C(=O)N=S(C)(C)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829728	0	41	-1.0	-67.95	380.40	-4.10	-72.05
CC[N@@H+]1CCOCC1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829729	0	52	0.0	-76.49	416.62	0.36	-76.13
CC[N@H+]1CCOCC1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829729	1	51	-1.0	-53.21	410.32	-2.18	-55.39
CCN1CCOCC1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829729	1	51	-1.0	-53.21	410.32	-2.18	-55.39
CN(CCNC(=O)CC1=NN=C2COCCN12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829730	0	46	-1.0	-60.80	402.02	-0.43	-61.23
CN(CCNC(=O)CC1=NN=C2CCCCN12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829731	0	48	-1.0	-65.14	410.40	1.92	-63.22
CN(CCNC(=O)CC1OCCC1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829732	0	49	-1.0	-54.26	403.42	1.06	-53.20
CN(CCNC(=O)C1=NN2C=CC=CC2=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829733	0	41	-1.0	-60.14	374.44	1.03	-59.11
CN(CCNC(=O)C1(CC2=NNN=C2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829734	0	48	-1.0	-62.66	413.06	-0.26	-62.92
CN(CCNC(=O)C1(CC2=CNN=N2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829734	1	48	-1.0	-62.66	413.06	-0.26	-62.92
CN(CCNC(=O)C12CC(C)(C1)OC21COC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829735	0	49	-1.0	-54.76	411.70	-1.25	-56.01
CN(CCNC(=O)C1(O)CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829736	0	46	-1.0	-51.57	385.84	-1.24	-52.81
COC(=O)CC1(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829737	0	48	-1.0	-51.01	416.94	1.82	-49.19
CC(=CC1=CNC=N1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829738	0	43	-1.0	-55.63	376.92	1.63	-54.00
CC1=CC([O-])=C(Cl)C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829739	0	43	-1.0	-50.97	391.37	-0.16	-51.13
CC1=CC(O)=C(Cl)C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829739	1	43	-1.0	-50.97	391.37	-0.16	-51.13
CN(CCNC(=O)CN1N=NN=C1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829740	0	44	-1.0	-64.80	394.74	0.01	-64.79
CN(CCNC(=O)[C@@H]1COC(C)(C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829741	0	44	-1.0	-54.58	382.67	-0.50	-55.08
C[C@@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024829742	0	45	-1.0	-52.76	395.56	2.76	-50.00
COC1=NSC(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829743	0	43	-1.0	-52.05	403.03	-1.32	-53.37
CN(C)C(=O)C#CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829744	0	41	-1.0	-53.01	378.75	-0.74	-53.75
CN(CCNC(=O)CC1(C)CC1(F)Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829745	0	42	-1.0	-49.07	384.46	1.70	-47.37
CC(=O)C1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024829746	0	40	-1.0	-55.78	379.71	-1.01	-56.79
CN(CCNC(=O)C12CC1COC2(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829747	0	47	-1.0	-50.80	395.43	0.63	-50.17
C#C[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829748	0	38	-1.0	-54.44	346.62	1.09	-53.35
CCN1CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300024829749	0	49	-1.0	-54.90	412.13	0.68	-54.22
CC(C)CCCC(=O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829750	0	49	-1.0	-47.60	418.35	1.94	-45.66
CN(CCNC(=O)C12CCC(CC1=O)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829751	0	45	-1.0	-52.52	384.28	1.01	-51.51
CN(CCNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829752	0	38	-2.0	-96.15	356.39	-3.94	-100.09
CN(CCNC(=O)[C@H]1CC2=CC=CC=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829753	0	45	-1.0	-54.02	391.72	0.67	-53.35
CN(CCNC(=O)C1C[NH+](C2CCCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829754	0	55	0.0	-74.32	439.97	3.21	-71.11
CN(CCNC(=O)C1(N=[N+]=[N-])CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829755	0	38	-1.0	-47.69	346.69	-3.01	-50.70
CON1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829756	0	48	-1.0	-53.05	397.95	-1.15	-54.20
CN(CCNC(=O)CN1CCN(C2CC2)C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829757	0	49	-1.0	-63.75	420.68	1.33	-62.42
CN(CCNC(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829758	0	47	-1.0	-51.12	403.84	-1.71	-52.83
CN(CCNC(=O)C(O)C1=CC=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829759	0	43	-1.0	-53.04	379.70	-2.29	-55.33
CN(CCNC(=O)C12COC(C)(C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829760	0	50	-1.0	-50.65	405.78	0.74	-49.91
CN(CCNC(=O)C1=NN(C)C2=C1COCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829761	0	47	-1.0	-55.41	405.81	-0.79	-56.20
CC1=CC=CN=C1C=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829762	0	45	-1.0	-52.89	397.91	1.65	-51.24
CCC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024829763	0	51	-1.0	-51.02	412.80	3.00	-48.02
COCC1=CC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024829764	0	45	-1.0	-60.42	403.08	-0.62	-61.04
CC1=NC(CO)=NC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829765	0	44	-1.0	-54.03	388.31	-3.34	-57.37
CN(CCNC(=O)C1(C)CC(C2CC2)=NO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829766	0	47	-1.0	-50.06	408.87	1.00	-49.06
CC(C)C1=CC=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024829767	0	48	-1.0	-57.34	411.97	3.40	-53.94
CN(CCNC(=O)C1=CC(C(C)(C)C)=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829768	0	50	-1.0	-51.60	422.37	2.07	-49.53
CN(CCNC(=O)CSCCC#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829769	0	40	-1.0	-56.30	378.61	1.00	-55.30
COC1C[N@@H+]2CCCC2(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829770	0	53	0.0	-72.47	426.72	0.84	-71.63
COC1C[N@H+]2CCCC2(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829770	1	53	0.0	-72.47	426.72	0.84	-71.63
CN(CCNC(=O)C=CC1=NC=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829771	0	40	-1.0	-53.81	365.56	-0.40	-54.21
CC(=CC1=CC=C(F)C=C1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829772	0	46	-1.0	-51.80	402.21	3.29	-48.51
CN(CCNC(=O)C1=CC=CC2=CN=NN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829773	0	41	-1.0	-56.50	367.68	0.14	-56.36
CC(=O)NC1(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829774	0	46	-1.0	-52.77	402.42	-1.08	-53.85
CNC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829775	0	44	-1.0	-54.29	386.05	-3.66	-57.95
CN(CCNC(=O)C1CC(C2CC2)=NO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829776	0	44	-1.0	-60.42	389.62	1.40	-59.02
CN(CCNC(=O)C12CCC(F)(CC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829777	0	46	-1.0	-52.93	388.43	1.99	-50.94
CNC1=CN=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829778	0	43	-1.0	-52.28	378.71	-1.54	-53.82
CN(CCNC(=O)C1CC(C2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829779	0	49	-1.0	-51.40	408.25	3.09	-48.31
CN(CCNC(=O)CCC1=CC=C(N)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829780	0	46	-1.0	-53.39	404.38	-0.12	-53.51
CN(CCNC(=O)C1=CN=C2OCCCC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829781	0	46	-1.0	-53.97	397.10	-1.05	-55.02
CN(CCNC(=O)C1=C(N)N(C2CC2)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829782	0	45	-1.0	-53.44	395.01	-0.15	-53.59
CN(CCNC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829783	0	41	-2.0	-91.04	383.78	-2.76	-93.80
CCC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)OC	REAL300024829784	0	45	-1.0	-53.64	381.40	0.70	-52.94
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=NN1C1CCC1	REAL300024829785	0	49	-1.0	-52.90	417.28	1.91	-50.99
CN(CCNC(=O)CC1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829786	0	45	-1.0	-57.49	399.80	3.55	-53.94
CN(CCNC(=O)CC1=CC2=CN=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829786	1	45	-1.0	-57.49	399.80	3.55	-53.94
COCC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC=CCC1	REAL300024829787	0	50	-1.0	-54.41	414.46	1.08	-53.33
CC(=O)CC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024829788	0	50	-1.0	-61.05	413.20	2.43	-58.62
CN(CCNC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829789	0	50	-1.0	-49.60	429.35	0.08	-49.52
CN(CCNC(=O)C(C)(C)N1C=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829790	0	45	-1.0	-60.13	387.89	0.81	-59.32
COC(=O)N[C@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024829791	0	49	-1.0	-51.72	414.38	-1.53	-53.25
COC(=O)NC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024829792	0	49	-1.0	-51.74	414.88	-1.46	-53.20
CN(CCNC(=O)CSCC1CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829793	0	47	-1.0	-56.74	414.33	0.83	-55.91
CN(CCNC(=O)C1=CC=C(N)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829794	0	40	-1.0	-53.27	360.57	-2.38	-55.65
CN(CCNC(=O)C1=CC=C([N+](=O)[O-])C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829795	0	40	-1.0	-49.66	373.93	0.39	-49.27
CCC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024829796	0	49	-1.0	-49.94	417.81	4.09	-45.85
CCSC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024829797	0	48	-1.0	-53.13	409.03	2.66	-50.47
COC(=O)N1CCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829798	0	47	-1.0	-62.51	407.42	-0.23	-62.74
CC1=CC(C)=C(O)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829799	0	46	-1.0	-53.77	398.66	1.36	-52.41
CCSC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024829800	0	45	-1.0	-51.38	407.54	1.75	-49.63
CCCC(NC(N)=O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829801	0	47	-1.0	-59.85	400.37	-2.56	-62.41
COC1=CC=C(C)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024829802	0	48	-1.0	-52.17	413.54	-0.85	-53.02
CN(CCNC(=O)C1=CSC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829803	0	35	-1.0	-52.11	335.60	-1.55	-53.66
CCCCC1=CSC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024829804	0	47	-1.0	-55.63	421.56	1.44	-54.19
CN(CCNC(=O)C1=CC=C(Cl)N=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829805	0	40	-1.0	-51.74	370.64	-0.80	-52.54
CC(C1=CC=CC=C1)C(O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829806	0	49	-1.0	-52.81	416.46	1.85	-50.96
CCC(NC1=CC=CC=C1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829807	0	50	-1.0	-51.63	414.84	1.50	-50.13
CN(CCNC(=O)CNC1=NC=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829808	0	40	-1.0	-51.08	372.67	-1.26	-52.34
CNC(=O)NC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024829809	0	51	-1.0	-63.54	423.89	-2.04	-65.58
CC1=CC([N+](=O)[O-])=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829810	0	44	-1.0	-52.34	392.59	2.78	-49.56
CN(CCNC(=O)C1=CC=NC(F)=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829811	0	40	-1.0	-52.57	359.48	-2.16	-54.73
CC1=CN=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024829812	0	44	-1.0	-51.88	384.57	0.95	-50.93
CC1OC(=O)NC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829813	0	41	-1.0	-61.29	361.74	-3.38	-64.67
CN(CCNC(=O)CN1CCOC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829814	0	41	-1.0	-64.37	368.48	-1.05	-65.42
CC=C(CC)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829815	0	42	-1.0	-51.24	362.58	1.15	-50.09
CN(CCNC(=O)C12CCCC1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829816	0	49	-1.0	-52.02	396.47	2.72	-49.30
CC1=C(F)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024829817	0	39	-1.0	-53.83	358.30	-1.42	-55.25
CC1=NNC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024829817	1	39	-1.0	-53.83	358.30	-1.42	-55.25
CN(CCNC(=O)C(F)(F)C1=CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829818	0	44	-1.0	-50.20	389.07	0.04	-50.16
CN(CCNC(=O)CC12CC(C1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829819	0	43	-1.0	-52.15	367.01	1.86	-50.29
CN(CCNC(=O)C1CC1(C)Br)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829820	0	39	-1.0	-52.79	361.49	1.21	-51.58
CN(CCNC(=O)C1=CNC=C(F)C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829821	0	39	-1.0	-62.50	357.59	-0.53	-63.03
CC1=CC=CN2N=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=C12	REAL300024829822	0	45	-1.0	-55.36	400.33	1.73	-53.63
C#CCC(CC#C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829823	0	42	-1.0	-50.13	379.81	2.49	-47.64
CN(CCNC(=O)C(F)(F)C1=CN=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829824	0	40	-1.0	-52.26	371.18	-0.76	-53.02
CN(CCNC(=O)C1=C(F)C=CC(O)=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829825	0	40	-2.0	-98.14	376.26	-2.60	-100.74
CN(CCNC(=O)C1=C(F)C=CC(O)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829825	1	40	-2.0	-98.14	376.26	-2.60	-100.74
CN(CCNC(=O)C1=CC=C(C#N)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829826	0	41	-1.0	-55.77	378.24	0.39	-55.38
CN(CCNC(=O)C1=CC=C(C#N)C=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829826	1	41	-1.0	-55.77	378.24	0.39	-55.38
CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)O	REAL300024829827	0	45	-1.0	-49.67	375.48	-1.87	-51.54
COC1=CC=NC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829828	0	45	-1.0	-57.26	396.43	-0.17	-57.43
COC(=O)CC(C)(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829829	0	47	-1.0	-50.25	397.83	0.90	-49.35
CC(CS(C)=O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829830	0	43	-1.0	-59.82	381.28	-1.34	-61.16
CC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1C#N	REAL300024829831	0	42	-1.0	-53.16	383.54	0.53	-52.63
CN(CCNC(=O)C1=CC(O)=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829832	0	40	-1.0	-53.97	372.16	-0.88	-54.85
COC(F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829833	0	36	-1.0	-54.54	331.85	-2.00	-56.54
CN(CCNC(=O)C1=CC=C(C(C)(C)C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829834	0	50	-1.0	-51.67	422.55	2.26	-49.41
CN(CCNC(=O)C1=CC(C#N)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024829835	0	40	-2.0	-98.24	374.72	1.41	-96.83
CN(CCNC(=O)C1=CC=C2NC(N)=NC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829836	0	45	0.0	-74.18	392.70	1.12	-73.06
CN(CCNC(=O)C1=CC=C2NC(N)=[NH+]C2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829836	1	45	0.0	-74.18	392.70	1.12	-73.06
CN(CCNC(=O)C(C#N)=CC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829838	0	41	-1.0	-49.05	375.36	1.53	-47.52
COC1=CC=CC(O)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829839	0	44	-1.0	-58.08	392.28	-2.13	-60.21
CCC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)ON=C1	REAL300024829840	0	41	-1.0	-49.32	367.33	0.31	-49.01
CN(CCNC(=O)C1CN(CC(F)F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829841	0	44	-1.0	-57.24	387.82	-2.09	-59.33
CN(CCNC(=O)CS(N)(=O)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829842	0	37	-1.0	-65.49	348.43	-6.65	-72.14
CN(CCNC(=O)CCS(N)(=O)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829843	0	40	-1.0	-58.03	369.96	-5.83	-63.86
CN(CCNC(=O)C(=O)C1=CC=C(F)C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829844	0	41	-1.0	-49.10	381.84	1.41	-47.69
COC1=CC=C(C(C)C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024829845	0	49	-1.0	-53.63	418.65	1.99	-51.64
CN(CCNC(=O)C1=CC=C(C#N)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829846	0	39	-1.0	-51.37	366.41	0.12	-51.25
COC(=O)NCCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829847	0	46	-1.0	-55.32	406.36	-2.33	-57.65
CC1=CC=C(N)C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829848	0	44	-1.0	-52.31	379.48	-0.01	-52.32
COC(=O)NC(C)(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829849	0	46	-1.0	-51.51	394.59	-2.32	-53.83
CC(C)NC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024829850	0	49	-1.0	-52.66	418.56	0.80	-51.86
COC1=CC=CC(C(O)C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829851	0	47	-1.0	-52.23	410.85	-0.52	-52.75
CC(C)C1=CC=C(O)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829852	0	49	-1.0	-53.98	417.33	1.90	-52.08
CN(CCNC(=O)C1=CC(N)=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829853	0	40	-1.0	-52.54	360.68	-2.38	-54.92
CN(CCNC(=O)C1(C#N)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829854	0	40	-1.0	-51.91	358.36	0.57	-51.34
COC1=CC(C)=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024829855	0	47	-1.0	-56.36	407.78	0.41	-55.95
CN(CCNC(=O)C1=C(C#N)C=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829856	0	37	-1.0	-58.82	358.94	0.74	-58.08
CSC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829857	0	40	-1.0	-50.20	375.83	0.63	-49.57
CC(=O)C1=CSC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829858	0	41	-1.0	-60.17	382.25	0.86	-59.31
CN(CCNC(=O)C=C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829859	0	43	-1.0	-51.33	368.65	1.76	-49.57
COC(=O)C1=CN=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829860	0	44	-1.0	-55.80	398.55	0.33	-55.47
CN(CCNC(=O)CC(C)(C)C#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829861	0	42	-1.0	-50.39	365.71	0.65	-49.74
CC1=CN=C(Cl)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829862	0	41	-1.0	-55.68	377.46	0.75	-54.93
CSC(C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829863	0	45	-1.0	-50.88	395.71	1.69	-49.19
CN(CCNC(=O)CC(=O)NC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829864	0	43	-1.0	-62.95	380.92	-0.10	-63.05
CN(CCNC(=O)CC(C)(O)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829865	0	49	-1.0	-52.18	413.49	1.18	-51.00
CC(=O)OCC(C)(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829866	0	50	-1.0	-53.51	421.37	2.01	-51.50
COCC(O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829867	0	40	-1.0	-53.07	357.38	-3.67	-56.74
CN(CCNC(=O)C(C)(C)CCCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829868	0	48	-1.0	-52.08	398.81	-1.68	-53.76
CN(CCNC(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829869	0	44	-1.0	-68.09	391.14	0.08	-68.01
CCCC1=NSC(N)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829870	0	46	-1.0	-52.04	414.87	-1.02	-53.06
CN(CCNC(=O)C1=C(C#N)C=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829871	0	40	-1.0	-56.91	375.74	-0.66	-57.57
CN(CCNC(=O)C1=CC=CC(C(N)=O)=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829872	0	43	-1.0	-69.68	385.54	-1.67	-71.35
CC1=CC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024829873	0	44	-1.0	-55.47	389.46	0.96	-54.51
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CCOC1	REAL300024829874	0	46	-1.0	-51.37	384.55	-0.19	-51.56
CC1=CN2C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)=CN=C2S1	REAL300024829875	0	42	-1.0	-54.84	385.17	1.86	-52.98
CN(CCNC(=O)C1=CC(N)=C(F)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829876	0	40	-1.0	-49.92	366.54	-2.27	-52.19
CN(CCNC(=O)C1(C2=CC=NC=C2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829877	0	45	-1.0	-51.95	394.29	1.41	-50.54
CN(CCNC(=O)C1=COC(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829878	0	36	-1.0	-53.99	348.80	0.04	-53.95
CN(CCNC(=O)C1CCC2=CN=NN2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829879	0	45	-1.0	-55.91	387.66	-0.53	-56.44
CCOC1=CC(=O)OC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829880	0	45	-1.0	-50.91	403.41	0.92	-49.99
CC1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C2C=CNC2=N1	REAL300024829881	0	44	-1.0	-54.23	391.77	0.54	-53.69
CN(CCNC(=O)CC1=C2NC=CC=C2N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829882	0	45	-1.0	-69.41	399.34	0.30	-69.11
CN(CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829883	0	48	0.0	-75.50	398.39	1.60	-73.90
CSC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024829884	0	39	-1.0	-50.59	379.49	-0.18	-50.77
CN(CCNC(=O)C1CCCCNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829885	0	46	-1.0	-51.45	374.87	-1.15	-52.60
CN(CCNC(=O)C1=NN=CN1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829886	0	42	-1.0	-52.61	374.46	1.88	-50.73
CN(CCNC(=O)[C@@H]1[C@H](C(F)F)C1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829887	0	45	-1.0	-51.72	386.05	1.84	-49.88
CN(CCNC(=O)C1CCC(OC(F)F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829888	0	46	-1.0	-53.30	400.40	0.35	-52.95
CN(CCNC(=O)C12CC3CC(CC(C3)O1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829889	0	51	-1.0	-51.38	406.84	1.40	-49.98
CN(CCNC(=O)CC1(C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829890	0	46	-1.0	-50.07	382.58	2.57	-47.50
CC(C)[C@@H](NC(N)=O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829891	0	47	-1.0	-51.47	395.91	-3.91	-55.38
CC1=CC=CC2=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=NN21	REAL300024829892	0	45	-1.0	-57.49	396.82	1.74	-55.75
CN(CCNC(=O)C1=CC(C2CCC2)=NO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829893	0	45	-1.0	-49.08	394.62	1.41	-47.67
CN(CCNC(=O)[C@@H]1CC1(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829894	0	36	-1.0	-51.31	336.74	0.09	-51.22
CC1=CNC2=NC=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=C12	REAL300024829895	0	45	-1.0	-55.37	396.63	1.40	-53.97
CN(CCNC(=O)C1(CC[NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829896	0	57	0.0	-83.09	449.76	3.45	-79.64
COC12CCC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)(CC1)C2	REAL300024829897	0	50	-1.0	-53.43	413.05	0.75	-52.68
CC1CCCC(C)[NH+]1CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829898	0	57	0.0	-71.31	439.40	2.98	-68.33
CN(CCNC(=O)C(F)C1CCOC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829899	0	43	-1.0	-51.59	370.72	-0.78	-52.37
CN(CCNC(=O)C1=C(C2CC2)N=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829900	0	42	-1.0	-52.09	374.90	-1.30	-53.39
CN(CCNC(=O)C1=NNN=C1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829900	1	42	-1.0	-50.22	376.16	-1.37	-51.59
CN(CCNC(=O)C1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829901	0	54	0.0	-79.32	427.37	2.69	-76.63
CN(CCNC(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829902	0	51	0.0	-80.02	424.56	2.42	-77.60
C#CC1=CC=C(OCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024829903	0	45	-1.0	-57.18	409.13	3.20	-53.98
CN(CCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829904	0	54	0.0	-72.61	420.84	2.55	-70.06
CN(CCNC(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829905	0	49	0.0	-76.90	400.06	1.93	-74.97
CN(CCNC(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829905	1	49	0.0	-76.97	399.78	1.91	-75.06
CN(CCNC(=O)C1CNC2=NC=NN2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829906	0	44	-1.0	-56.17	382.83	1.13	-55.04
CN(CCNC(=O)CCC12CCC(CC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829907	0	52	-1.0	-51.20	418.65	3.34	-47.86
CC1=NN(C)C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829908	0	45	-1.0	-58.41	395.18	0.21	-58.20
CN(CCNC(=O)C(O)CCN1C=NC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829909	0	45	-1.0	-57.56	401.40	0.27	-57.29
CN(CCNC(=O)[C@H]1C[C@](F)(CO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829910	0	43	-1.0	-55.70	377.21	-2.29	-57.99
CN(CCNC(=O)C1CC2CCCCCCC21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829911	0	55	-1.0	-52.04	425.10	3.64	-48.40
CC1CC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(C)O1	REAL300024829912	0	49	-1.0	-51.42	403.84	0.53	-50.89
CN(CCNC(=O)[C@@H]1C[C@H]1C#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829913	0	37	-1.0	-52.22	344.75	0.35	-51.87
CCCC(CC)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829914	0	50	-1.0	-50.89	409.22	2.55	-48.34
CN(CCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829915	0	45	-1.0	-55.44	396.52	1.66	-53.78
C=C(C)CCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829916	0	45	-1.0	-51.82	390.65	1.93	-49.89
CN(CCNC(=O)C1=CC=C2NCCOC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829917	0	46	-1.0	-57.08	397.34	-0.48	-57.56
CC1=NN2CCCNC2=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829918	0	48	-1.0	-55.59	413.39	-0.62	-56.21
CN(CCNC(=O)CC1CC(O)C1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829919	0	49	-1.0	-54.03	407.50	-1.03	-55.06
CN(CCNC(=O)C1=CON=C1C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829920	0	45	-1.0	-54.53	393.34	1.55	-52.98
CCC1=NC(N)=NC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829921	0	45	-1.0	-51.91	388.74	0.17	-51.74
CN(CCNC(=O)C=CC1=CN=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829922	0	41	-1.0	-53.33	375.12	-0.72	-54.05
CN(CCNC(=O)CN1C=C(C#N)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829923	0	40	-1.0	-62.37	374.46	0.00	-62.37
CN(CCNC(=O)CCC(=O)C1=CC=NC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829924	0	46	-1.0	-52.58	410.12	1.04	-51.54
CCC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024829925	0	46	-1.0	-51.16	398.39	0.70	-50.46
CN(CCNC(=O)C1=CC=C2CCCC2=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829926	0	45	-1.0	-51.92	391.09	1.59	-50.33
CCOC(=O)C1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC=CC1	REAL300024829927	0	49	-1.0	-51.30	420.55	2.58	-48.72
CN(CCNC(=O)CC(C)(C)C(C)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829928	0	47	-1.0	-48.79	390.17	1.60	-47.19
CN(CCNC(=O)C1CCCC2(CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829929	0	52	-1.0	-51.03	418.25	3.35	-47.68
CC1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300024829930	0	41	-1.0	-59.14	369.17	-0.35	-59.49
CN(CCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829931	0	43	-1.0	-58.21	388.76	0.87	-57.34
CN(CCNC(=O)C1(N2C=NN=N2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829932	0	41	-1.0	-51.69	374.13	-0.33	-52.02
CNC1=CN=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024829933	0	42	-1.0	-52.73	375.29	-2.49	-55.22
CN(CCNC(=O)C1CCC2=NN=NN2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829934	0	44	-1.0	-56.12	382.34	-0.83	-56.95
CN(CCNC(=O)CSC1=CC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829935	0	42	-1.0	-53.77	389.58	1.00	-52.77
CN(CCNC(=O)CC1CCC(F)(F)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829936	0	48	-1.0	-52.32	404.20	2.54	-49.78
CN(CCNC(=O)CC1=CC2=NNN=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829937	0	44	-1.0	-57.27	392.95	-0.61	-57.88
CN(CCNC(=O)CC1=CC=C2NN=NC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829937	1	44	-1.0	-57.64	393.95	-0.70	-58.34
CN(CCNC(=O)C1=CC=C2CC(=O)NC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829938	0	44	-1.0	-57.13	390.56	-0.09	-57.22
CN(CCNC(=O)C1CC2CC(O)CC(C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829939	0	53	-1.0	-54.07	415.10	0.21	-53.86
CN(CCNC(=O)C1=CC(N)=NC(N)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829940	0	41	-1.0	-51.55	371.33	-2.34	-53.89
CN(CCNC(=O)[C@H]1C[C@@H](O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829941	0	40	-1.0	-55.12	351.14	-3.01	-58.13
CC(=CC1=CC=CO1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829942	0	43	-1.0	-52.42	377.83	1.64	-50.78
CN(CCNC(=O)CCC1CC1(Cl)Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829943	0	42	-1.0	-52.01	397.51	2.48	-49.53
COC(=O)C1CCOC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829944	0	46	-1.0	-52.45	401.81	0.35	-52.10
CN(CCNC(=O)CC1CC1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829945	0	45	-1.0	-51.70	384.19	1.84	-49.86
CN(CCNC(=O)C1=C2C=CC=NN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829946	0	42	-1.0	-56.36	376.47	1.29	-55.07
CN(CCNC(=O)CCC1=CC=CN=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829947	0	44	-1.0	-53.27	402.04	1.45	-51.82
CC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024829948	0	48	-1.0	-50.08	396.81	2.11	-47.97
CN(CCNC(=O)C1=CC=CC2=C1C(=O)CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829949	0	45	-1.0	-63.07	390.28	3.94	-59.13
CN(CCNC(=O)C1=CNC(=S)N1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829950	0	44	-1.0	-61.48	392.98	1.64	-59.84
CSC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CO1	REAL300024829951	0	40	-1.0	-55.52	376.18	0.63	-54.89
CC1SC(=O)N=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829952	0	39	-1.0	-49.21	366.52	-2.52	-51.73
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)NC(=O)S1	REAL300024829952	1	39	-1.0	-50.01	361.82	-1.82	-51.83
CN(CCNC(=O)C1(C2=CC=NC=C2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829953	0	48	-1.0	-51.66	410.86	1.98	-49.68
CSC1=CC=CN=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829954	0	42	-1.0	-54.02	380.42	0.72	-53.30
CN(CCNC(=O)C1CCC12CCOCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829955	0	50	-1.0	-52.53	399.21	1.16	-51.37
CN(CCNC(=O)C1=CC(C2(C)CC2)=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829956	0	46	-1.0	-51.90	401.89	0.51	-51.39
CN(CCNC(=O)C1=CN([O-])C(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829957	0	39	-2.0	-89.68	364.27	-2.45	-92.13
CN(CCNC(=O)C1=NOC2=NC=CC=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829958	0	40	-1.0	-51.96	368.90	-2.29	-54.25
CN(CCNC(=O)C1=NC=CC(N)=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829959	0	40	-1.0	-53.07	371.34	-1.79	-54.86
CN(CCNC(=O)C1=CC=C(C(F)F)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829960	0	41	-1.0	-52.76	379.79	0.65	-52.11
CN(CCNC(=O)C1=C(Cl)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829961	0	37	-1.0	-54.37	351.02	0.98	-53.39
CCCC1=CC=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024829962	0	51	-1.0	-52.84	437.63	4.36	-48.48
CC1=CC(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CN=C1N	REAL300024829963	0	47	-1.0	-54.30	410.57	0.36	-53.94
CC1=CC(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300024829963	1	48	0.0	-76.37	414.00	0.84	-75.53
COC1=CC=CC(NCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024829964	0	48	-1.0	-54.59	415.35	-0.29	-54.88
CC1=NN=NN1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829965	0	40	-1.0	-65.01	363.85	-1.47	-66.48
CN(CCNC(=O)C1=CC=CC2=NN=CN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829966	0	41	-1.0	-61.98	366.26	2.39	-59.59
CN(CCNC(=O)C1CCOC(=O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829967	0	45	-1.0	-60.56	382.30	0.89	-59.67
CN(CCNC(=O)[C@@H]1C[C@@H]1C1=NN=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829968	0	42	-1.0	-63.54	373.14	0.59	-62.95
CN(CCNC(=O)[C@@H]1C[C@@H]1C1=NNC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829968	1	42	-1.0	-57.76	372.52	0.91	-56.85
CN(CCNC(=O)C1COC2COCC21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829969	0	45	-1.0	-56.17	375.31	-2.04	-58.21
CN(CCNC(=O)[C@]12C[C@H]1[C@H](F)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829970	0	40	-1.0	-54.01	358.81	1.22	-52.79
CN(CCNC(=O)C1=CN=CC(C(C)(C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829971	0	50	-1.0	-51.56	419.84	1.95	-49.61
CN(CCNC(=O)CCC1=CC=CC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829972	0	45	-1.0	-57.32	399.01	-0.29	-57.61
CN(CCNC(=O)C1=CC(C(C)(F)F)=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829973	0	42	-1.0	-53.15	385.52	-0.51	-53.66
CN(CCNC(=O)C1=CNC(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829974	0	36	-1.0	-53.02	337.54	-3.26	-56.28
CN(CCNC(=O)C12CCC(C)(CC1)CO2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829975	0	50	-1.0	-49.38	407.05	0.94	-48.44
CC(C)[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829976	0	45	-1.0	-51.47	385.34	1.90	-49.57
CN(CCNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829977	0	48	0.0	-74.15	404.69	0.93	-73.22
CC1=NN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(C)=C1C	REAL300024829978	0	48	-1.0	-57.74	414.57	1.16	-56.58
CN(CCNC(=O)C1=CC=NC2=NNC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829979	0	41	-1.0	-57.74	368.63	-0.57	-58.31
CN(CCNC(=O)C1=CN=C(Cl)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829980	0	36	-1.0	-51.53	347.38	-1.27	-52.80
CCCC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024829981	0	46	-1.0	-52.96	400.36	1.32	-51.64
CN(CCNC(=O)C=CCOC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829982	0	47	-1.0	-55.12	416.37	2.35	-52.77
CCCCC[N@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829983	0	56	0.0	-76.06	453.41	3.40	-72.66
CCCCC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829983	1	56	0.0	-76.17	453.41	3.39	-72.78
CN(CCNC(=O)C(C)(C)C1=CC=NC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829984	0	47	-1.0	-54.25	399.58	1.31	-52.94
CN(CCNC(=O)C1CSCN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829985	0	42	-1.0	-54.45	372.44	-1.37	-55.82
CN(CCNC(=O)C1=CC2CCCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829986	0	44	-1.0	-51.61	378.43	2.28	-49.33
CC(C)(CC(F)(F)F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859150	0	42	-1.0	-46.19	368.70	0.78	-45.41
CN1CCC2=CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)=CC=C21	REAL300024859151	0	46	-1.0	-48.66	398.57	0.84	-47.82
CC1=CON=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859152	0	36	-1.0	-49.61	335.39	-1.16	-50.77
CC(C)C1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=CO1	REAL300024859153	0	42	-1.0	-49.10	376.30	-2.18	-51.28
CC(C)(CC1=CC=CC=C1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859154	0	49	-1.0	-49.15	413.43	3.31	-45.84
O=C(CN1CCC(=O)NC1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859155	0	42	-1.0	-59.32	380.01	-2.94	-62.26
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=C(CCCC3)N2)C1	REAL300024859156	0	45	-1.0	-51.52	388.44	1.20	-50.32
CCC(=O)N1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859157	0	47	-1.0	-59.60	406.52	-0.04	-59.64
O=C(CNC(=O)C1=CSC=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859158	0	40	-1.0	-53.96	384.02	-3.51	-57.47
COC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(F)(F)F	REAL300024859159	0	40	-1.0	-50.09	370.41	-0.44	-50.53
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN(CC3CC3)N=C2)C1	REAL300024859160	0	44	-1.0	-51.68	395.66	1.17	-50.51
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC(C3=COC=C3)=C2)C1	REAL300024859161	0	44	-1.0	-53.28	396.78	2.51	-50.77
CC(C)C1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCO1	REAL300024859162	0	53	-1.0	-46.63	432.35	1.58	-45.05
CCC1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCO1	REAL300024859163	0	50	-1.0	-50.29	408.77	0.93	-49.36
CCC1CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCO1	REAL300024859164	0	47	-1.0	-47.27	390.56	0.33	-46.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC3=C(C2)NC=N3)C1	REAL300024859165	0	44	-1.0	-50.33	381.64	0.75	-49.58
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC3=C(C2)N=CN3)C1	REAL300024859165	1	44	-1.0	-53.45	381.61	0.75	-52.70
CC(=O)N1CCC(C)(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859166	0	47	-1.0	-56.55	400.92	-0.35	-56.90
CC1=CN2C=CN=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2=N1	REAL300024859167	0	42	-1.0	-56.72	383.62	0.50	-56.22
CCC1=NN(C)C(Cl)=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859168	0	43	-1.0	-50.40	403.75	0.34	-50.06
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC23CCOC3)C1	REAL300024859169	0	42	-1.0	-47.94	366.38	-0.64	-48.58
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN(C3CCOC3)N=N2)C1	REAL300024859170	0	44	-1.0	-49.82	392.55	-2.72	-52.54
CCC1CCCN1C(=O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859171	0	47	-1.0	-47.86	400.33	0.10	-47.76
COCCCC(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859172	0	46	-1.0	-47.21	395.30	-0.27	-47.48
CCC(CC(C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859173	0	48	-1.0	-49.34	395.76	1.67	-47.67
CCCCCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024859174	0	54	-1.0	-48.83	435.28	3.97	-44.86
COCCCN1C=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024859175	0	47	-1.0	-53.77	419.54	-0.56	-54.33
COCCCOCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859176	0	44	-1.0	-55.49	392.16	-1.12	-56.61
COCCCOCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859177	0	47	-1.0	-50.74	413.11	-1.40	-52.14
CC(C)CC(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859178	0	48	-1.0	-48.75	388.83	1.60	-47.15
O=C(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NCC1CC1	REAL300024859179	0	44	-1.0	-61.37	391.58	0.04	-61.33
CCCN1N=C(C)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1C	REAL300024859180	0	49	-1.0	-51.43	429.49	1.28	-50.15
CC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1C=CC=N1	REAL300024859181	0	43	-1.0	-51.98	379.43	0.04	-51.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=COC(C3CCC3)=N2)C1	REAL300024859182	0	43	-1.0	-48.19	386.83	-1.59	-49.78
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(C(C)C)=NN1	REAL300024859183	0	46	-1.0	-51.29	406.52	-0.23	-51.52
CC1=NNC(C(C)C)=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859183	1	46	-1.0	-48.53	406.62	-0.31	-48.84
NC(=O)CCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859184	0	43	-1.0	-54.36	383.09	-2.92	-57.28
COCC1=NC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CS1	REAL300024859185	0	43	-1.0	-52.73	401.60	-1.52	-54.25
NC(=O)C1=COC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859186	0	38	-1.0	-59.59	359.36	-4.30	-63.89
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCC(F)(F)C2)C1	REAL300024859187	0	43	-1.0	-46.93	374.78	1.27	-45.66
CC1(C2=CC=CC=C2C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859188	0	47	-1.0	-49.05	401.98	3.53	-45.52
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CSC=C1	REAL300024859189	0	40	-1.0	-47.08	369.48	1.14	-45.94
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CS1	REAL300024859190	0	40	-1.0	-51.38	370.33	1.40	-49.98
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CO1	REAL300024859191	0	40	-1.0	-53.83	362.26	0.84	-52.99
CC(C)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC(F)=C1	REAL300024859192	0	46	-1.0	-49.44	399.54	2.56	-46.88
CC(C)CCN1C=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=N1	REAL300024859193	0	48	-1.0	-50.10	421.02	0.21	-49.89
CCC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=NN1CC	REAL300024859194	0	45	-1.0	-50.01	398.78	-0.67	-50.68
CC(CC1=CC=CC=C1F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859195	0	46	-1.0	-50.96	405.92	3.00	-47.96
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=C(C=CO3)S2)C1	REAL300024859196	0	37	-1.0	-51.21	357.43	0.31	-50.90
CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCNC1=O	REAL300024859197	0	41	-1.0	-51.58	361.59	-3.23	-54.81
NC(=O)[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024859198	0	42	-1.0	-66.32	376.49	-3.12	-69.44
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(C3CC3)SC=N2)C1	REAL300024859199	0	40	-1.0	-49.16	372.31	0.20	-48.96
CCOC1CC2(CC2C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859200	0	48	-1.0	-50.35	415.54	1.28	-49.07
CN1C=NC2=CC=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)N=C21	REAL300024859201	0	42	-1.0	-53.00	383.30	1.56	-51.44
CC1=NC=CC=C1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859202	0	42	-1.0	-54.99	374.63	0.40	-54.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(C3CC3)N=CO2)C1	REAL300024859203	0	40	-1.0	-49.50	366.43	-2.12	-51.62
CN1C=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(Cl)=N1	REAL300024859204	0	40	-1.0	-56.88	382.07	-0.12	-57.00
CC(C)(C)N1C=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859205	0	45	-1.0	-54.55	398.21	1.20	-53.35
CC1=CN2C=CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)=CC2=N1	REAL300024859206	0	43	-1.0	-58.40	386.34	2.14	-56.26
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859207	0	46	0.0	-72.11	376.71	0.78	-71.33
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859207	1	46	0.0	-72.94	383.34	1.20	-71.74
CC(C)C1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=C1	REAL300024859208	0	45	-1.0	-48.30	395.49	1.07	-47.23
CC1CC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859209	0	46	0.0	-74.97	384.15	1.14	-73.83
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859209	1	46	0.0	-74.99	383.39	1.01	-73.98
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(CF)CCOCC2)C1	REAL300024859210	0	44	-1.0	-47.42	372.37	-0.74	-48.16
CC1=NC=C2CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CCN21	REAL300024859211	0	47	-1.0	-53.94	403.12	1.67	-52.27
CC1=[NH+]C=C2CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CCN21	REAL300024859211	1	48	0.0	-64.83	407.31	2.07	-62.76
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3=CC=NC=C3C2)C1	REAL300024859212	0	43	-1.0	-52.35	379.50	0.97	-51.38
O=C(CC(F)(F)C(F)F)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859213	0	36	-1.0	-58.07	346.60	-0.11	-58.18
CC1(C)CC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859214	0	49	0.0	-75.40	403.28	1.56	-73.84
CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859214	1	49	0.0	-75.48	403.62	1.58	-73.90
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024859215	0	51	0.0	-75.33	407.63	1.90	-73.43
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024859215	1	51	0.0	-75.41	408.14	1.98	-73.43
O=C(CCC1=CN=CS1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859216	0	39	-1.0	-51.36	368.62	-0.38	-51.74
NC(=O)[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859217	0	44	-1.0	-60.37	382.17	-2.75	-63.12
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859218	0	38	-1.0	-60.67	350.33	-4.03	-64.70
O=C(CC(C1CCC1)C1CCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859219	0	53	-1.0	-48.94	426.90	3.85	-45.09
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(C(F)F)N=CO2)C1	REAL300024859220	0	36	-1.0	-51.32	346.45	-3.51	-54.83
CN1N=CC(CCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859221	0	42	-1.0	-50.52	380.74	-1.36	-51.88
NC(=O)C1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024859222	0	39	-1.0	-55.96	362.34	-4.56	-60.52
CC(F)(F)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859223	0	40	-1.0	-46.87	362.27	0.79	-46.08
O=C(CN1N=NC2=C1CCCC2)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859224	0	46	-1.0	-55.01	400.50	0.03	-54.98
CC1=NC(C(C)C)=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859225	0	48	-1.0	-51.37	409.24	1.69	-49.68
CC[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024859226	0	45	0.0	-72.22	368.71	0.32	-71.90
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)(F)F	REAL300024859227	0	39	-1.0	-50.54	349.56	0.03	-50.51
CCC1=NC=NC(CC)=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859228	0	47	-1.0	-49.51	413.37	1.43	-48.08
CC1=NC(C)=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024859229	0	40	-1.0	-52.75	359.73	-1.02	-53.77
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC=CN3C=CN=C23)C1	REAL300024859230	0	39	-1.0	-58.65	361.63	-0.02	-58.67
CC1=NC(C2CC2)=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859231	0	46	-1.0	-51.59	398.85	1.89	-49.70
CC1=NN(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859232	0	40	-1.0	-58.64	364.56	-0.32	-58.96
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3C=CNC3=CC=N2)C1	REAL300024859233	0	40	-1.0	-52.87	364.26	-0.69	-53.56
CC(COCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCC1	REAL300024859234	0	53	0.0	-66.34	436.63	2.06	-64.28
COC1=CC(=O)NC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859235	0	41	-1.0	-52.37	369.78	-2.32	-54.69
CC(OCC1=CC=NC=C1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859236	0	46	-1.0	-56.30	410.78	1.04	-55.26
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859237	0	44	-1.0	-51.17	393.58	2.13	-49.04
O=C(CCC1=NNN=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859238	0	39	-1.0	-51.46	357.66	-2.55	-54.01
O=C(CCC1=CNN=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859238	1	39	-1.0	-54.50	357.72	-2.39	-56.89
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(CF)CCC2)C1	REAL300024859239	0	40	-1.0	-49.06	351.49	0.59	-48.47
C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859240	0	42	-1.0	-47.16	371.47	-0.77	-47.93
CC(C)C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859241	0	46	-1.0	-49.31	394.60	2.19	-47.12
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2COC3=CC=CC=C3O2)C1	REAL300024859242	0	43	-1.0	-54.69	385.35	1.07	-53.62
CC1=CC=NC2=NC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)=NN21	REAL300024859243	0	41	-1.0	-59.26	380.30	1.63	-57.63
O=C(CNC(=O)C1CCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859244	0	50	-1.0	-49.72	422.63	-0.34	-50.06
O=C(CNC(=O)C1=CC=CS1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859245	0	41	-1.0	-51.94	388.93	-1.52	-53.46
O=C(CNC(=O)C1=CC=CO1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859246	0	41	-1.0	-53.21	381.01	-2.52	-55.73
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN3C=CC=CC3=N2)C1	REAL300024859247	0	40	-1.0	-52.39	368.26	1.46	-50.93
CC1=NC2=CC=CC=C2C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859248	0	45	-1.0	-49.77	395.65	1.90	-47.87
O=C(CCCOC1=CC=CC=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859249	0	47	-1.0	-54.28	413.79	2.06	-52.22
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3N=CSC3=C2)C1	REAL300024859250	0	39	-1.0	-52.65	368.89	0.39	-52.26
CC1(C)NC(=O)N(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1=O	REAL300024859251	0	45	-1.0	-54.29	404.77	-2.51	-56.80
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(Cl)S2)C1	REAL300024859252	0	34	-1.0	-47.81	346.96	0.61	-47.20
CC(C)OC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859253	0	47	-1.0	-48.11	407.05	1.77	-46.34
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=CC=CC=C3O2)C1	REAL300024859254	0	40	-1.0	-49.40	369.03	1.39	-48.01
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3CCCCC3=C2)C1	REAL300024859255	0	47	-1.0	-50.64	400.57	3.40	-47.24
CC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=C1	REAL300024859256	0	46	-1.0	-49.68	397.27	2.91	-46.77
O=C(CCCC1CCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859257	0	52	-1.0	-49.73	426.11	3.42	-46.31
COC1=CC=C(Cl)C=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859258	0	41	-1.0	-49.88	381.92	1.96	-47.92
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=C(CCCC3)S2)C1	REAL300024859259	0	44	-1.0	-47.27	393.63	2.53	-44.74
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=C(CCC3)S2)C1	REAL300024859260	0	41	-1.0	-47.62	375.90	1.93	-45.69
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)OC2=CC=CC=C21	REAL300024859261	0	43	-1.0	-49.26	386.85	1.99	-47.27
CCOC1=CC=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859262	0	47	-1.0	-49.69	413.84	1.90	-47.79
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(C3CC3)C=CS2)C1	REAL300024859263	0	41	-1.0	-49.31	375.57	2.09	-47.22
CCCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=C1	REAL300024859264	0	49	-1.0	-47.09	421.53	3.56	-43.53
O=C(CCC(=O)N1CCOCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859265	0	48	-1.0	-51.81	412.43	-1.49	-53.30
NC(=O)NC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859266	0	43	-1.0	-54.71	387.06	-3.02	-57.73
CC(=O)NCCCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859267	0	49	-1.0	-56.00	427.42	-0.63	-56.63
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(C3=CC=CC=C3)CC2)C1	REAL300024859268	0	44	-1.0	-47.37	389.60	2.65	-44.72
O=C(CC1=CC=CC(F)=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859269	0	40	-1.0	-53.22	368.84	1.74	-51.48
O=C(CC1=CC=CC=C1Cl)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859270	0	40	-1.0	-51.45	376.28	2.07	-49.38
CCC1=CC=CC(OCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859271	0	47	-1.0	-50.45	414.28	2.89	-47.56
CC1=CC=C(OCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859272	0	44	-1.0	-54.53	392.75	2.22	-52.31
CN1N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=CC1=O	REAL300024859273	0	39	-1.0	-50.80	360.35	-1.98	-52.78
CCCCC1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859274	0	55	-1.0	-49.07	445.64	4.05	-45.02
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(F)=CC(F)=C2)C1	REAL300024859275	0	37	-1.0	-46.95	350.68	1.12	-45.83
CC1=CC(C)=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(C)=C1	REAL300024859276	0	46	-1.0	-47.78	401.98	2.49	-45.29
COC1=CC=CC=C1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859277	0	44	-1.0	-52.36	390.75	1.03	-51.33
COC1=CC=C(CCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859278	0	47	-1.0	-49.06	413.38	1.78	-47.28
CC1=CC=C(OC(C)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859279	0	47	-1.0	-54.27	409.39	2.84	-51.43
CC1=CC=CC(OC(C)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859280	0	47	-1.0	-54.31	409.40	2.84	-51.47
COC1=CC=CC=C1CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859281	0	47	-1.0	-51.40	412.19	1.75	-49.65
CC1=CC=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1C	REAL300024859282	0	46	-1.0	-48.69	400.90	2.79	-45.90
CC1=CC=CC(C)=C1OCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859283	0	47	-1.0	-53.05	413.11	3.01	-50.04
O=C(CCNC(=O)C1=CC=CO1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859284	0	44	-1.0	-59.41	403.14	-1.87	-61.28
O=C(CN1C=NC=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859285	0	36	-1.0	-60.65	337.40	0.53	-60.12
O=C(CCC1=CC=CC=C1Cl)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859286	0	43	-1.0	-50.24	396.54	2.76	-47.48
CC1=NC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CS1	REAL300024859287	0	39	-1.0	-50.53	367.94	-0.56	-51.09
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CSC3=C2CCCC3)C1	REAL300024859288	0	44	-1.0	-50.04	388.76	2.54	-47.50
O=C(CCCC1=CC=CS1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859289	0	43	-1.0	-52.03	395.55	2.35	-49.68
CCC1=C(C)C=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024859290	0	43	-1.0	-48.88	391.59	2.12	-46.76
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=NC=CN=C3C=C2)C1	REAL300024859291	0	41	-1.0	-55.90	373.87	-0.64	-56.54
CCCC1=C(C)SC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859292	0	46	-1.0	-47.03	413.19	2.78	-44.25
O=C(CN1C(=O)CNC1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859293	0	39	-1.0	-58.49	362.80	-3.81	-62.30
CN1CC(=O)N(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1=O	REAL300024859294	0	42	-1.0	-56.06	385.26	-1.50	-57.56
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=CC=CC=C3N2)C1	REAL300024859295	0	41	-1.0	-50.97	371.55	0.93	-50.04
CC1=C(C)SC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859296	0	40	-1.0	-49.18	370.03	1.33	-47.85
O=C(CN1CCCCCC1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859297	0	47	-1.0	-56.92	394.38	0.70	-56.22
CCC1=C(C)SC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859298	0	43	-1.0	-47.19	390.70	1.98	-45.21
CC1CCN(C(=O)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859299	0	44	-1.0	-49.63	383.11	-0.75	-50.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(C2CC2)C2CC2)C1	REAL300024859300	0	44	-1.0	-49.24	383.86	2.45	-46.79
CCCCN1N=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1C	REAL300024859301	0	49	-1.0	-51.06	423.20	1.63	-49.43
CCCCN1C=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(C)=N1	REAL300024859302	0	49	-1.0	-49.61	425.52	1.65	-47.96
CCC(C)N1N=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1C	REAL300024859303	0	49	-1.0	-50.90	419.03	1.42	-49.48
O=C(CCOC1CCOCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859304	0	48	-1.0	-50.38	411.03	-1.00	-51.38
O=C(CCCOC1CCOCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859305	0	51	-1.0	-54.22	432.54	-0.23	-54.45
CCN1N=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1C1CC1	REAL300024859306	0	47	-1.0	-51.14	408.61	1.38	-49.76
CCC1=NOC(COCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859307	0	45	-1.0	-60.32	409.97	-1.75	-62.07
CC1=NN(CCCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(C)=N1	REAL300024859308	0	48	-1.0	-60.17	423.80	1.59	-58.58
O=C(CC1=NNC=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859309	0	36	-1.0	-57.53	337.04	-1.47	-59.00
O=C(CC1=NN=CN1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859309	1	36	-1.0	-57.60	335.73	-1.01	-58.61
C=CCOC1=CC=CN=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859310	0	44	-1.0	-53.18	397.33	1.25	-51.93
CN(C)C(=O)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859311	0	44	-1.0	-51.05	387.04	-0.86	-51.91
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300024859312	0	53	0.0	-79.31	433.57	3.29	-76.02
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=NN1C(C)C	REAL300024859313	0	46	-1.0	-51.16	400.80	0.79	-50.37
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCCC1	REAL300024859314	0	46	-1.0	-49.33	383.32	1.88	-47.45
NC(=O)N1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859315	0	46	-1.0	-57.86	386.01	-1.29	-59.15
CC(C)(C)C1=NNC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859316	0	46	-1.0	-52.98	388.86	-0.21	-53.19
CC(NC(=O)CC(C)(C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859317	0	52	-1.0	-49.36	434.18	-0.19	-49.55
CCN1C=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024859318	0	43	-1.0	-55.99	386.78	0.33	-55.66
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CN(C)N=C1	REAL300024859319	0	43	-1.0	-55.69	383.17	0.02	-55.67
CCCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024859320	0	48	-1.0	-48.97	392.28	2.42	-46.55
O=C(CCC1CCCCO1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859321	0	47	-1.0	-46.94	398.51	0.51	-46.43
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300024859322	0	40	-1.0	-48.65	375.53	1.45	-47.20
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3=CC(F)=CC=C3O2)C1	REAL300024859323	0	42	-1.0	-55.33	383.10	1.94	-53.39
CCC(CC1=CC=CC=C1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859324	0	49	-1.0	-49.72	414.66	3.69	-46.03
CCC(OC1CCCC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859325	0	50	-1.0	-52.52	415.71	2.37	-50.15
COC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(C)=NN1C	REAL300024859326	0	44	-1.0	-50.02	399.71	-2.00	-52.02
CC(C)N1C=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859327	0	43	-1.0	-50.82	383.46	0.15	-50.67
CN(C)C1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024859328	0	44	-1.0	-51.99	386.79	0.82	-51.17
CCOC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1C	REAL300024859329	0	47	-1.0	-51.32	409.16	1.89	-49.43
NC(=O)C1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859330	0	47	-1.0	-54.17	392.79	-2.26	-56.43
CC1CCCC(OCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859331	0	50	-1.0	-49.36	417.71	2.36	-47.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=NC(C3CC3)=N2)C1	REAL300024859332	0	42	-1.0	-48.43	382.42	0.72	-47.71
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CSC3=CN=CN32)C1	REAL300024859333	0	37	-1.0	-49.96	351.49	1.04	-48.92
CC1CCCCC1OCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859334	0	50	-1.0	-52.84	416.62	2.41	-50.43
O=C(COC1CCOCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859335	0	45	-1.0	-54.86	390.09	-0.74	-55.60
O=C(COCC1CCOC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859336	0	45	-1.0	-50.55	393.15	-0.83	-51.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCS(=O)(=O)C2)C1	REAL300024859337	0	43	-1.0	-54.13	382.17	-2.75	-56.88
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCS(=O)(=O)CC2)C1	REAL300024859338	0	43	-1.0	-60.95	381.80	-2.78	-63.73
CC(C)C(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859339	0	42	-1.0	-48.97	356.00	0.57	-48.40
CN1C=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)C1=O	REAL300024859340	0	43	-1.0	-51.89	385.03	-0.54	-52.43
CC(C)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)S(C)(=O)=O	REAL300024859341	0	42	-1.0	-65.80	375.22	-3.26	-69.06
CC(CC1CCCCC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859342	0	52	-1.0	-46.06	420.11	3.23	-42.83
CCC(CC1CCCCC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859343	0	55	-1.0	-48.94	438.06	3.88	-45.06
CC(CC1CCCC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859344	0	49	-1.0	-49.43	403.95	2.58	-46.85
CCC(CC1CCCC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859345	0	52	-1.0	-49.47	419.76	3.05	-46.42
CCCC(CC1CCCC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859346	0	55	-1.0	-49.23	435.02	3.51	-45.72
CC(C)C(CC1CCCC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859347	0	55	-1.0	-48.94	439.50	3.60	-45.34
CCOC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=C1C	REAL300024859348	0	47	-1.0	-51.40	409.20	1.94	-49.46
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN3C=CC=CC3=C2)C1	REAL300024859349	0	41	-1.0	-52.02	372.50	2.51	-49.51
CN1C(=O)C(=O)N(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1=O	REAL300024859350	0	41	-1.0	-53.05	387.21	-2.12	-55.17
CCNC(=O)NC(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859351	0	48	-1.0	-50.24	409.33	-2.71	-52.95
CC1=NC(CCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CS1	REAL300024859352	0	42	-1.0	-50.62	390.11	0.12	-50.50
CC1=NN(C)C=C1CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859353	0	46	-1.0	-53.56	406.79	0.79	-52.77
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(C3=CC=CC(F)=C3)CC2)C1	REAL300024859354	0	44	-1.0	-48.74	394.97	2.71	-46.03
CC[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859355	0	40	-1.0	-49.64	355.77	0.81	-48.83
CC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC=C1C(N)=O	REAL300024859356	0	43	-1.0	-52.43	386.00	-3.27	-55.70
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC3=NN=NN3CC2)C1	REAL300024859357	0	45	-1.0	-62.68	387.04	-0.69	-63.37
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	REAL300024859358	0	42	-1.0	-53.71	360.63	-0.97	-54.68
CN1N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C2=C1CCCC2	REAL300024859359	0	47	-1.0	-51.64	404.09	1.05	-50.59
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC(=O)N1	REAL300024859360	0	44	-1.0	-57.06	378.98	-2.09	-59.15
CC1=CNC(CC(N)=O)=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859361	0	45	-1.0	-58.56	408.20	-3.30	-61.86
CN1C=C([C@@H]2C[C@H]2C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024859362	0	44	-1.0	-52.64	394.76	0.83	-51.81
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2C[C@H]2C2=CC=CO2)C1	REAL300024859363	0	41	-1.0	-50.39	374.80	1.28	-49.11
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2C[C@H]2C2=CC=CN=C2)C1	REAL300024859364	0	43	-1.0	-51.36	385.27	1.15	-50.21
COC1=CC=CC(OCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859365	0	45	-1.0	-57.55	400.84	0.85	-56.70
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3NC=CC3=CC=C2)C1	REAL300024859366	0	41	-1.0	-49.06	366.99	1.09	-47.97
O=C(CNC(=O)C1=CC=CN=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859367	0	43	-1.0	-53.27	391.77	-2.27	-55.54
CC(C)C1=NNC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859368	0	43	-1.0	-50.30	381.83	-0.67	-50.97
CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(Cl)=C1	REAL300024859369	0	40	-1.0	-47.99	371.80	2.08	-45.91
COC1=CC(F)=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(F)=C1	REAL300024859370	0	41	-1.0	-51.03	383.50	0.24	-50.79
CCC(NC(C)=O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859371	0	43	-1.0	-50.93	374.31	-2.17	-53.10
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(C3=CC=CC=C3)O2)C1	REAL300024859372	0	44	-1.0	-49.47	401.58	2.65	-46.82
COC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=C1F	REAL300024859373	0	41	-1.0	-52.34	373.50	0.35	-51.99
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3C=CNC3=CC=C2)C1	REAL300024859374	0	41	-1.0	-51.53	366.97	0.92	-50.61
CC(C)=CCCC(C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859375	0	52	-1.0	-49.42	432.40	3.46	-45.96
CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(F)=C1F	REAL300024859376	0	40	-1.0	-51.17	368.99	1.69	-49.48
C=CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859377	0	41	-1.0	-50.53	368.83	2.09	-48.44
CC(C)CCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859378	0	45	-1.0	-49.80	384.48	1.52	-48.28
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC3=C2OCC3)C1	REAL300024859379	0	42	-1.0	-51.66	372.80	1.66	-50.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3OCCC3=C2)C1	REAL300024859380	0	42	-1.0	-49.22	373.75	0.84	-48.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(C3=CC=CO3)=NN2)C1	REAL300024859381	0	41	-1.0	-53.53	382.36	-0.84	-54.37
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(C(F)(F)F)CC2)C1	REAL300024859382	0	37	-1.0	-48.10	349.16	0.39	-47.71
CC1=CC=CC(C)=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859383	0	43	-1.0	-49.60	380.54	1.92	-47.68
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(C3CC3)=NN2)C1	REAL300024859384	0	41	-1.0	-48.73	371.54	-0.54	-49.27
O=C(CCCC(F)(F)F)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859385	0	39	-1.0	-53.66	363.54	0.62	-53.04
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(F)=C(F)C(F)=C2)C1	REAL300024859386	0	37	-1.0	-50.40	356.78	1.17	-49.23
O=C(CCCC1=CC=C(F)C=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859387	0	46	-1.0	-49.08	411.78	3.23	-45.85
CC1=CC(F)=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859388	0	40	-1.0	-49.05	365.67	1.64	-47.41
CC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024859389	0	51	-1.0	-49.07	409.63	2.27	-46.80
CCN1N=C(C)C=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859390	0	43	-1.0	-48.39	381.82	0.08	-48.31
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3=CC=CC=C3C2)C1	REAL300024859391	0	44	-1.0	-50.95	384.81	2.64	-48.31
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(Cl)C(F)=C2)C1	REAL300024859392	0	37	-1.0	-48.96	360.38	1.55	-47.41
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NOC3=C2CCCC3)C1	REAL300024859393	0	43	-1.0	-49.76	378.36	0.88	-48.88
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(F)=CC(Cl)=C2)C1	REAL300024859394	0	37	-1.0	-49.03	361.00	1.49	-47.54
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(F)=CC=C2Cl)C1	REAL300024859395	0	37	-1.0	-47.78	356.81	1.48	-46.30
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=NC=C2Cl)C1	REAL300024859396	0	36	-1.0	-48.10	345.76	-0.34	-48.44
O=C(CC1=CC=C(F)C(Cl)=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859397	0	40	-1.0	-50.06	385.07	2.14	-47.92
CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(F)=C1	REAL300024859398	0	40	-1.0	-49.77	363.82	1.65	-48.12
CC1=CC=CC=C1CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859399	0	46	-1.0	-50.03	399.20	2.86	-47.17
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C3CCCCCCC32)C1	REAL300024859400	0	50	-1.0	-48.25	398.11	2.90	-45.35
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC23CC3)C1	REAL300024859401	0	38	-1.0	-49.88	345.38	0.93	-48.95
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC3=CC=NC=C3C=C2)C1	REAL300024859402	0	41	-1.0	-51.26	376.22	-0.44	-51.70
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC(F)=C2Cl)C1	REAL300024859403	0	37	-1.0	-49.37	356.26	1.46	-47.91
O=C(CC1=CC=CC(Cl)=C1F)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859404	0	40	-1.0	-54.12	384.07	2.20	-51.92
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC(F)(F)CC2)C1	REAL300024859405	0	43	-1.0	-48.37	374.75	1.35	-47.02
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC=C2N2C=CC=N2)C1	REAL300024859406	0	44	-1.0	-55.64	394.14	2.43	-53.21
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=NC3=CC=CC=C32)C1	REAL300024859407	0	41	-1.0	-51.90	369.25	0.19	-51.71
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC3=CC=CC=C3C2)C1	REAL300024859408	0	47	-1.0	-47.30	401.99	3.25	-44.05
CC1=CC=C(F)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859409	0	40	-1.0	-49.56	363.83	1.65	-47.91
CC(NS(C)(=O)=O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859410	0	41	-1.0	-57.24	374.45	-5.35	-62.59
CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024859411	0	40	-1.0	-56.20	361.44	-1.30	-57.50
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300024859412	0	42	-1.0	-51.72	379.12	1.37	-50.35
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3C=CNC3=C2)C1	REAL300024859413	0	41	-1.0	-50.34	369.12	0.93	-49.41
CCOC1=CC=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859414	0	44	-1.0	-53.36	389.19	1.13	-52.23
COC1=CC=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1C	REAL300024859415	0	44	-1.0	-48.39	381.90	0.97	-47.42
CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C2=CC=CC=C12	REAL300024859416	0	46	-1.0	-49.36	396.96	3.70	-45.66
O=C(CC1=CNC=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859417	0	37	-1.0	-57.36	340.96	-0.66	-58.02
O=C(CC1=CN=CN1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859417	1	37	-1.0	-56.95	341.81	-0.85	-57.80
O=C(CC1=CC=CC(F)=C1F)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859418	0	40	-1.0	-55.36	374.19	1.76	-53.60
O=C(CC1CCCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859419	0	49	-1.0	-49.38	393.98	2.33	-47.05
C=CCOCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)(C)C	REAL300024859420	0	53	-1.0	-47.91	434.73	2.50	-45.41
CC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NN1C	REAL300024859421	0	40	-1.0	-51.94	362.81	-0.84	-52.78
CC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CN=N1	REAL300024859422	0	38	-1.0	-51.75	349.66	-1.32	-53.07
CC1CC(=O)NCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859423	0	44	-1.0	-54.26	379.80	-2.33	-56.59
CSCCC(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859424	0	41	-1.0	-51.16	378.46	-1.40	-52.56
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2CC(=O)N2)C1	REAL300024859425	0	35	-1.0	-58.48	327.40	-4.71	-63.19
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3COCCC3=NN2)C1	REAL300024859426	0	42	-1.0	-51.52	372.13	-2.47	-53.99
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC3=CNN=C3C=C2)C1	REAL300024859427	0	39	-1.0	-51.81	361.20	-2.15	-53.96
CC1=CC(O)=CC(=O)N1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859428	0	44	-1.0	-61.66	394.54	-2.09	-63.75
CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCS1	REAL300024859429	0	41	-1.0	-47.02	364.96	0.95	-46.07
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CCCCC2)C1	REAL300024859430	0	41	-1.0	-46.63	353.87	1.23	-45.40
CC(O)C(NC(=O)C1CC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859431	0	48	-1.0	-50.76	416.94	-4.01	-54.77
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=CC(F)=C2Cl)C1	REAL300024859432	0	36	-1.0	-51.80	351.55	-0.30	-52.10
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3C=COC3=CC=C2)C1	REAL300024859433	0	40	-1.0	-50.59	363.02	1.23	-49.36
CC(=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024859434	0	43	-1.0	-48.31	370.40	1.24	-47.07
CC(C)(C)SCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859435	0	49	-1.0	-52.59	424.98	2.68	-49.91
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(O)CCSCC2)C1	REAL300024859436	0	42	-1.0	-48.27	369.83	-1.85	-50.12
O=C(CN1C=NC2=CC=CC=C21)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859437	0	43	-1.0	-60.15	390.15	2.73	-57.42
CC(C)OC(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859438	0	46	-1.0	-53.28	389.68	0.82	-52.46
CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCCO1	REAL300024859439	0	44	-1.0	-47.31	369.37	-0.27	-47.58
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(N3CCC3)N=C2)C1	REAL300024859440	0	45	-1.0	-48.84	393.93	-0.51	-49.35
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NN3CCOCC3=C2)C1	REAL300024859441	0	42	-1.0	-51.70	376.16	-1.98	-53.68
CCC(CC)(CO)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859442	0	46	-1.0	-46.66	382.11	-2.38	-49.04
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(CO)C=C2)C1	REAL300024859443	0	41	-1.0	-52.48	370.61	-1.69	-54.17
CSC1=CC=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859444	0	41	-1.0	-52.19	373.53	2.00	-50.19
CC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859445	0	42	-1.0	-51.88	382.14	2.25	-49.63
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300024859446	0	39	-1.0	-61.66	362.06	2.64	-59.02
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300024859447	0	41	-1.0	-51.76	376.96	0.58	-51.18
C[NH+]1CCC(O)(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859448	0	50	0.0	-71.99	405.64	-0.21	-72.20
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCSC2)C1	REAL300024859449	0	41	-1.0	-49.05	363.42	0.90	-48.15
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@H]2CC(=O)N2)C1	REAL300024859450	0	35	-1.0	-58.63	327.42	-4.70	-63.33
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024859451	0	37	-2.0	-104.68	350.94	-0.63	-105.31
O=C(CN1C=NC=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859452	0	36	-1.0	-60.65	337.40	0.53	-60.12
COC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859453	0	38	-1.0	-47.84	340.96	-0.88	-48.72
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CSC2)C1	REAL300024859454	0	35	-1.0	-47.60	329.07	-0.39	-47.99
COCC[N@@H+]1CCCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859455	0	53	0.0	-61.16	428.65	1.23	-59.93
COCC[N@H+]1CCCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859455	1	53	0.0	-67.23	436.48	0.77	-66.46
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=C3SC=CN23)C1	REAL300024859456	0	37	-1.0	-49.47	352.72	0.53	-48.94
O=C(CC1=CC=CC([N+](=O)[O-])=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859457	0	42	-1.0	-57.86	390.65	2.34	-55.52
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=NC2=NN=CN21	REAL300024859458	0	41	-1.0	-57.39	368.95	3.21	-54.18
CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1[N+](=O)[O-]	REAL300024859459	0	42	-1.0	-58.07	384.68	2.20	-55.87
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(O)CCCC2)C1	REAL300024859460	0	41	-1.0	-46.70	353.78	-2.55	-49.25
O=C(C=CC1=CC2=CC=CC=C2O1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859461	0	44	-1.0	-51.29	402.55	2.77	-48.52
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)NC(=O)N2)C1	REAL300024859462	0	37	-1.0	-53.74	348.00	-4.72	-58.46
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859463	0	39	0.0	-75.76	338.00	-0.60	-76.36
CN(C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859463	1	38	-1.0	-50.38	335.91	-2.98	-53.36
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(Cl)N=C2)C1	REAL300024859464	0	36	-1.0	-50.04	349.66	-0.37	-50.41
CC1=CC=C(SCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859465	0	44	-1.0	-52.85	402.36	2.81	-50.04
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CNC(=O)NC2=O)C1	REAL300024859466	0	37	-1.0	-55.68	345.34	-4.57	-60.25
COC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=C1	REAL300024859467	0	44	-1.0	-52.84	394.25	1.82	-51.02
O=C(C[NH+]1CCC(CO)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859468	0	50	0.0	-70.43	411.85	-1.41	-71.84
O=C(CN1CCC(CO)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859468	1	49	-1.0	-51.62	409.99	-3.66	-55.28
O=C(CCN1C=C([N+](=O)[O-])C=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859469	0	42	-1.0	-53.85	395.00	0.37	-53.48
CSC1=CC(F)=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859470	0	41	-1.0	-51.32	379.91	2.06	-49.26
CC(C)=C(Br)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859471	0	37	-1.0	-46.25	347.21	0.58	-45.67
O=C(C[NH+]1CCCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859472	0	49	0.0	-68.73	389.13	1.46	-67.27
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CCOCC1	REAL300024859473	0	46	-1.0	-50.87	383.21	-3.00	-53.87
CC1=CN=C(F)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859474	0	39	-1.0	-51.12	358.88	-0.27	-51.39
CCCC1=NC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024859475	0	42	-1.0	-48.51	389.21	0.31	-48.20
CCC1=NNC(CC)=C1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859476	0	49	-1.0	-50.87	423.14	0.52	-50.35
CN1C=C[N+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859477	0	41	0.0	-72.76	369.24	2.91	-69.85
O=C(C=CSCC1=CC=CO1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859478	0	42	-1.0	-51.17	400.16	1.63	-49.54
CC1=NC=CN=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859479	0	38	-1.0	-48.92	346.16	-2.03	-50.95
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN(CC(F)F)N=C2)C1	REAL300024859480	0	40	-1.0	-53.71	376.19	-0.07	-53.78
CCOC1C(C)C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859481	0	44	-1.0	-52.70	389.13	0.09	-52.61
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCN3C=CN=C23)C1	REAL300024859482	0	44	-1.0	-50.81	380.79	1.40	-49.41
CC1=NC2=C(NC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)=C2)S1	REAL300024859483	0	40	-1.0	-53.54	378.51	-1.15	-54.69
CC(C)[C@H](NC(N)=O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859484	0	45	-1.0	-51.25	384.69	-4.42	-55.67
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC2C2CCCCC2)C1	REAL300024859485	0	50	-1.0	-45.91	409.82	3.20	-42.71
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859486	0	46	0.0	-68.74	376.38	1.15	-67.59
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859486	1	46	0.0	-68.68	376.32	1.23	-67.45
C=CC(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859487	0	35	-1.0	-50.21	326.43	-2.92	-53.13
[N-]=[N+]=NCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859488	0	38	-1.0	-53.11	354.05	-3.89	-57.00
CC1=CC=CN=C1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859489	0	42	-1.0	-53.89	374.57	0.29	-53.60
CC(O)C(F)(F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859490	0	37	-1.0	-47.84	342.60	-2.27	-50.11
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024859491	0	47	0.0	-70.09	395.45	1.92	-68.17
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024859491	1	47	0.0	-73.00	388.42	1.24	-71.76
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCN2C2CC2)C1	REAL300024859491	1	46	-1.0	-50.70	384.25	-0.75	-51.45
CC1(C)COC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859492	0	41	-1.0	-48.89	359.36	-0.58	-49.47
CSCC(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859493	0	43	-1.0	-48.75	380.68	0.89	-47.86
O=C(CC1=CC=C(Cl)C=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859494	0	39	-1.0	-54.97	372.63	0.55	-54.42
COC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCOCC1	REAL300024859495	0	45	-1.0	-47.92	374.88	-2.31	-50.23
CN1N=NC=C1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859496	0	39	-1.0	-60.96	356.80	-2.01	-62.97
O=C(CC1=CNC=CC1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859497	0	40	-1.0	-66.64	366.24	-0.66	-67.30
O=C(CCCC1=CN=CS1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859498	0	42	-1.0	-54.19	390.08	0.49	-53.70
[N-]=[N+]=NC1=CC=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859499	0	39	-1.0	-51.34	365.43	-1.38	-52.72
[N-]=[N+]=NC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859500	0	39	-1.0	-49.17	365.91	-1.21	-50.38
[N-]=[N+]=NC1=CC=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859501	0	39	-1.0	-53.34	364.02	-1.02	-54.36
CCC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1Cl	REAL300024859502	0	43	-1.0	-48.62	393.24	2.78	-45.84
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(F)C=C3NC=NC3=C2)C1	REAL300024859503	0	40	-1.0	-56.28	368.03	0.70	-55.58
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(F)C=C3N=CNC3=C2)C1	REAL300024859503	1	40	-1.0	-53.71	368.02	0.64	-53.07
O=C(CC1CCCCC1F)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859504	0	46	-1.0	-49.64	387.73	1.90	-47.74
CCCCCC(=O)NCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859506	0	49	-1.0	-51.10	425.88	-0.49	-51.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC2(F)C2=CC=CC=C2)C1	REAL300024859507	0	44	-1.0	-55.11	394.14	3.03	-52.08
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(F)C=C(F)N=C2F)C1	REAL300024859508	0	36	-1.0	-50.15	355.46	-1.00	-51.15
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=NC=CC=C1F	REAL300024859509	0	42	-1.0	-52.92	380.47	0.63	-52.29
CCC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=CS1	REAL300024859510	0	40	-1.0	-46.61	367.55	1.37	-45.24
CC(C)(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(F)F	REAL300024859511	0	42	-1.0	-50.60	365.59	0.74	-49.86
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(F)=CC2CCCCC2)C1	REAL300024859512	0	47	-1.0	-46.12	403.75	2.63	-43.49
CC1=CC=CN=C1C(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859513	0	43	-1.0	-53.39	383.82	-1.64	-55.03
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=NN2CC2CC2)C1	REAL300024859514	0	44	-1.0	-49.85	390.64	1.13	-48.72
CCC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(F)=C1	REAL300024859515	0	43	-1.0	-49.41	385.31	2.42	-46.99
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3CCCCC3=N2)C1	REAL300024859516	0	46	-1.0	-48.69	397.99	1.72	-46.97
CC(=O)N[C@H]1CC[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859517	0	50	-1.0	-55.23	423.31	-0.51	-55.74
CC1=NN(C)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859518	0	39	-1.0	-48.44	355.92	-0.80	-49.24
COC1=CC=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1F	REAL300024859519	0	40	-1.0	-55.14	369.23	-1.40	-56.54
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(C3CCCO3)CCCO2)C1	REAL300024859520	0	49	-1.0	-49.95	408.61	0.31	-49.64
CC1(C)[C@@H]2C[C@@H](C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C[C@@H]21	REAL300024859521	0	47	-1.0	-50.24	390.69	2.26	-47.98
NC(=O)C1=NNC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859522	0	38	-1.0	-55.99	358.12	-5.89	-61.88
NC(=O)C1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NN1	REAL300024859522	1	38	-1.0	-53.71	358.20	-5.97	-59.68
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300024859523	0	42	-1.0	-47.37	362.05	-2.67	-50.04
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024859523	1	43	0.0	-67.23	368.06	0.34	-66.89
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)N(CCO)C=C2)C1	REAL300024859524	0	44	-1.0	-66.35	393.83	-1.97	-68.32
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@H](O)CC2=CNC=N2)C1	REAL300024859525	0	41	-1.0	-52.94	372.26	-1.97	-54.91
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@H](O)CC2=CN=CN2)C1	REAL300024859525	1	41	-1.0	-54.02	373.49	-2.22	-56.24
O=C(C#CC1CCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859526	0	45	-1.0	-47.63	393.49	2.60	-45.03
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC3=C2CNC3=O)C1	REAL300024859527	0	42	-1.0	-55.12	378.51	-1.59	-56.71
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN(CCO)C(=O)C=C2)C1	REAL300024859528	0	44	-1.0	-57.43	393.47	-1.99	-59.42
COC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC(F)(F)C1	REAL300024859529	0	44	-1.0	-53.57	394.47	1.07	-52.50
CCOCC1=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CS1	REAL300024859530	0	43	-1.0	-49.81	402.56	-1.37	-51.18
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3(C2)CCOC3)C1	REAL300024859531	0	45	-1.0	-51.20	384.95	-0.19	-51.39
CCC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024859532	0	51	0.0	-69.37	413.24	2.02	-67.35
CC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NNC1=O	REAL300024859533	0	39	-1.0	-50.19	360.14	-2.83	-53.02
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@H]2CC2(F)F)C1	REAL300024859534	0	34	-1.0	-53.51	324.48	-0.42	-53.93
CC(C)C1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N(C)N=C1	REAL300024859535	0	46	-1.0	-48.91	406.02	0.52	-48.39
CCCCC1=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CS1	REAL300024859536	0	45	-1.0	-48.52	411.52	0.93	-47.59
COCC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=CCC1	REAL300024859537	0	45	-1.0	-47.92	387.10	0.61	-47.31
O=C(CC1=CNN=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859538	0	37	-1.0	-54.98	342.28	-1.85	-56.83
COCC1(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024859539	0	50	-1.0	-48.45	411.98	0.88	-47.57
C[NH+](C)CC(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859540	0	48	0.0	-72.78	387.19	1.17	-71.61
O=C(CON=C1CCCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859541	0	50	-1.0	-53.38	421.34	2.26	-51.12
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(F)C2=CC=C(F)C=C2)C1	REAL300024859542	0	40	-1.0	-53.32	372.67	1.69	-51.63
CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CS(=O)(=O)C1	REAL300024859543	0	40	-1.0	-52.33	361.89	-3.49	-55.82
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN(CCCF)N=N2)C1	REAL300024859544	0	42	-1.0	-53.29	388.54	-0.93	-54.22
CC(C)(CC1=NNN=C1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859545	0	45	-1.0	-50.37	388.64	-1.34	-51.71
CC(C)(CC1=CNN=N1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859545	1	45	-1.0	-52.99	388.65	-1.28	-54.27
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=C1Cl	REAL300024859546	0	43	-1.0	-49.60	392.03	2.65	-46.95
CC1=CC=C2OC=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2=C1	REAL300024859547	0	43	-1.0	-51.26	387.96	1.91	-49.35
CC12CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)(C1)C(C)(C)O2	REAL300024859548	0	48	-1.0	-50.74	400.24	0.23	-50.51
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=COC(C(F)F)=N2)C1	REAL300024859549	0	36	-1.0	-50.71	352.00	-3.50	-54.21
O=C(C=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC1CC1	REAL300024859550	0	42	-1.0	-51.38	385.91	-1.47	-52.85
O=C(CC1=NC2=C(CCCC2)N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859551	0	47	-1.0	-59.12	404.54	0.74	-58.38
CN1CC2=CC=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C=C2C1	REAL300024859552	0	46	-1.0	-47.80	398.35	-0.27	-48.07
CC(C)NC(=O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859553	0	40	-1.0	-47.46	361.80	-2.83	-50.29
C=C(Cl)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859554	0	37	-1.0	-49.62	353.75	0.55	-49.07
CC(C)(C)C1=NC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024859555	0	46	-1.0	-51.95	402.13	0.14	-51.81
CCC(CCOC)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859556	0	46	-1.0	-52.18	389.63	-0.44	-52.62
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3C=CCC(C3)C2)C1	REAL300024859557	0	48	-1.0	-50.08	366.02	2.96	-47.12
CC1=C(C)OC(CCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859558	0	45	-1.0	-53.00	402.40	-1.39	-54.39
CC1=COC(C)=C1C=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859559	0	44	-1.0	-51.64	397.79	1.66	-49.98
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024859560	0	48	0.0	-62.66	396.40	2.03	-60.63
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024859560	1	48	0.0	-74.47	391.73	2.47	-72.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CC(C2)CN3C2CC2)C1	REAL300024859560	1	47	-1.0	-47.33	390.89	0.12	-47.21
CC1=CN2C=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)SC2=N1	REAL300024859561	0	40	-1.0	-51.81	379.83	1.37	-50.44
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCO1	REAL300024859562	0	39	-1.0	-49.24	346.05	-0.75	-49.99
COCC1(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCOCC1	REAL300024859563	0	51	-1.0	-48.92	413.80	-1.09	-50.01
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=COC(=O)C=C2)C1	REAL300024859564	0	36	-1.0	-54.68	338.79	0.07	-54.61
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C([N+](=O)[O-])O2)C1	REAL300024859565	0	36	-1.0	-51.47	352.56	-0.44	-51.91
CON=CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859566	0	44	-1.0	-49.83	401.31	1.00	-48.83
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300024859567	0	42	-1.0	-50.04	376.20	2.08	-47.96
O=C(CC1=CC=CC=C1[N+](=O)[O-])NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859568	0	42	-1.0	-57.43	383.03	2.00	-55.43
O=C(CC1=CC(=O)NC(=O)N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859569	0	40	-1.0	-62.21	371.88	-4.28	-66.49
COC1=CC=C(C(C)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859570	0	47	-1.0	-49.09	407.88	1.51	-47.58
COC1=CC=CC(C(O)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859571	0	45	-1.0	-48.57	400.11	-1.10	-49.67
CSC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024859572	0	38	-1.0	-48.26	365.28	0.18	-48.08
O=C(C=C1CCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859573	0	41	-1.0	-46.58	357.90	1.20	-45.38
CC(C)(OC1=CC=CC=C1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859574	0	47	-1.0	-52.91	397.69	2.41	-50.50
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(Cl)N=N2)C1	REAL300024859575	0	35	-1.0	-48.47	347.02	-1.54	-50.01
O=C(CN1CCC(O)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859576	0	46	-1.0	-53.77	389.43	-4.29	-58.06
O=C(C[NH+]1CCC(O)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859576	1	47	0.0	-71.91	390.87	-2.07	-73.98
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024859577	0	43	0.0	-73.09	367.41	0.81	-72.28
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024859577	1	43	0.0	-73.17	367.41	0.81	-72.36
CN(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024859577	1	42	-1.0	-47.07	361.37	-1.67	-48.74
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CCN(C)CC1	REAL300024859578	0	50	-1.0	-50.51	408.53	-3.12	-53.63
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024859578	1	51	0.0	-73.17	408.95	-0.78	-73.95
CC(=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=C(F)C=C1	REAL300024859579	0	44	-1.0	-46.98	398.79	3.06	-43.92
CC(SC1=CC=CC=N1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859580	0	43	-1.0	-51.87	395.87	1.50	-50.37
CC(CSC(F)(F)F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859581	0	40	-1.0	-49.79	384.33	1.00	-48.79
CC1=CN=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024859582	0	39	-1.0	-53.84	369.14	-0.43	-54.27
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC(C3CCCO3)O2)C1	REAL300024859583	0	49	-1.0	-55.38	414.57	0.55	-54.83
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(CO)COC2)C1	REAL300024859584	0	39	-1.0	-52.49	345.95	-4.91	-57.40
CC(C)=CCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859585	0	43	-1.0	-49.39	375.45	1.43	-47.96
CC=C(C=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC	REAL300024859586	0	44	-1.0	-49.19	387.37	1.92	-47.27
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2COC2)C1	REAL300024859587	0	35	-1.0	-47.65	319.85	-2.90	-50.55
O=C(C=CC1CCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859588	0	44	-1.0	-46.61	381.37	1.96	-44.65
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(CO)C(F)=C2)C1	REAL300024859589	0	41	-1.0	-50.50	374.30	-1.48	-51.98
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC(F)(CC2)CC3)C1	REAL300024859590	0	47	-1.0	-46.55	389.24	2.03	-44.52
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=C(C3CC3)N2)C1	REAL300024859591	0	41	-1.0	-48.76	371.88	-0.17	-48.93
CC1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024859592	0	41	-1.0	-53.42	359.73	0.05	-53.37
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCCS2)C1	REAL300024859593	0	41	-1.0	-50.07	365.36	0.97	-49.10
NC(=O)C1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024859594	0	40	-1.0	-58.82	369.95	-3.93	-62.75
CC1=NOC(C)(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859595	0	41	-1.0	-51.23	367.15	-1.21	-52.44
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NN(CO)C=C2)C1	REAL300024859596	0	38	-1.0	-52.43	353.53	-5.02	-57.45
O=C(CC1(CO)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859597	0	41	-1.0	-49.68	363.99	-2.63	-52.31
CSC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=C1	REAL300024859598	0	44	-1.0	-51.75	400.94	2.91	-48.84
CS(=O)(=O)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859599	0	40	-1.0	-51.36	371.00	-2.99	-54.35
CCSC1=CC=CN=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859600	0	43	-1.0	-51.16	391.39	1.03	-50.13
CCC1(CC)CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859601	0	49	-1.0	-49.24	402.65	2.20	-47.04
C[NH+]1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859602	0	43	0.0	-69.15	369.50	0.23	-68.92
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3ON=NC3=CC=C2)C1	REAL300024859603	0	38	-1.0	-60.68	353.25	-0.42	-61.10
CC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CN=C1F	REAL300024859604	0	39	-1.0	-50.45	359.55	-0.23	-50.68
CC1=NN=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024859605	0	35	-1.0	-49.31	343.00	-2.33	-51.64
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024859606	0	50	0.0	-75.46	410.08	2.34	-73.12
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024859606	1	50	0.0	-74.82	408.87	2.26	-72.56
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCN2C2CCCC2)C1	REAL300024859606	1	49	-1.0	-51.59	406.70	-0.53	-52.12
CC1(O)CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859607	0	41	-1.0	-49.18	360.12	-2.86	-52.04
CCCCCC(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859608	0	46	-1.0	-50.21	398.22	-0.29	-50.50
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(N3C=NC=N3)CC2)C1	REAL300024859609	0	40	-1.0	-49.94	370.04	1.46	-48.48
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024859610	0	37	-2.0	-85.40	351.36	-5.45	-90.85
CO[C@H](C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859611	0	37	-1.0	-52.89	334.93	-1.25	-54.14
O=CN1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859612	0	41	-1.0	-52.97	364.99	-1.21	-54.18
CC1=NNC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859613	0	36	-1.0	-48.19	337.48	-2.09	-50.28
CC1=NN=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024859613	1	36	-1.0	-50.78	337.64	-1.75	-52.53
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859614	0	49	0.0	-73.52	382.00	0.86	-72.66
CC(C)(C)[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859614	1	49	0.0	-71.65	399.60	1.06	-70.59
CC(C)(C)N1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859614	1	48	-1.0	-51.60	396.26	-1.51	-53.11
O=C(CCC1CC1(F)F)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859615	0	40	-1.0	-52.51	367.62	1.09	-51.42
CC1=NN=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024859616	0	38	-1.0	-57.52	363.62	-1.56	-59.08
CC1=CN=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859617	0	38	-1.0	-49.72	351.60	-1.21	-50.93
CSCC1(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859618	0	44	-1.0	-48.58	396.11	1.87	-46.71
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2C[C@@H]2C(F)F)C1	REAL300024859619	0	37	-1.0	-51.93	339.94	0.44	-51.49
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC3=C(CCCC3)S2)C1	REAL300024859620	0	43	-1.0	-48.17	389.73	0.62	-47.55
CCN1C(=O)NC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859621	0	41	-1.0	-58.44	369.47	-1.39	-59.83
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=COC(=O)N2)C1	REAL300024859622	0	34	-1.0	-57.19	325.55	-3.94	-61.13
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024859622	1	33	-2.0	-84.53	323.48	-5.69	-90.22
CC=CC(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859623	0	38	-1.0	-49.95	348.14	-2.06	-52.01
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=CC=CNC3=N2)C1	REAL300024859624	0	40	-1.0	-61.97	367.80	0.19	-61.78
CCCC[C@H](C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859625	0	45	-1.0	-49.40	383.09	1.53	-47.87
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024859626	0	42	0.0	-73.78	356.16	-0.27	-74.05
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N(C)C	REAL300024859626	1	41	-1.0	-50.31	348.43	-2.63	-52.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NOC3=CC(F)=CC=C32)C1	REAL300024859627	0	39	-1.0	-47.15	369.50	0.28	-46.87
CCC=C(F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859628	0	37	-1.0	-46.63	341.27	0.10	-46.53
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C3(CC3)C23CC3)C1	REAL300024859629	0	42	-1.0	-46.89	377.94	2.33	-44.56
CCC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859630	0	37	-1.0	-49.57	337.08	0.06	-49.51
CCC(F)(F)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859631	0	39	-1.0	-55.93	354.22	0.36	-55.57
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3=CC=CC=C3CO2)C1	REAL300024859632	0	45	-1.0	-53.33	394.78	2.18	-51.15
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859633	0	42	-1.0	-51.62	389.39	-1.81	-53.43
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NOC3=CC=C(F)C=C32)C1	REAL300024859634	0	39	-1.0	-49.06	369.59	0.25	-48.81
CC1=NOC=C1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859635	0	39	-1.0	-56.17	359.24	-0.34	-56.51
CC1=NC2=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C=NC=C2N1	REAL300024859636	0	42	-1.0	-56.66	380.09	-1.23	-57.89
CC1=NC2=CN=CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)=C2N1	REAL300024859636	1	42	-1.0	-51.16	378.81	-1.22	-52.38
O=C(CC1=CSN=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859637	0	35	-1.0	-58.84	340.03	-1.89	-60.73
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300024859638	0	39	-1.0	-50.24	370.59	1.65	-48.59
O=C(CC1C=CS(=O)(=O)C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859639	0	41	-1.0	-57.64	376.18	-3.00	-60.64
O=C(CSC1=CC=CC=C1F)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859640	0	41	-1.0	-56.39	386.72	2.17	-54.22
[N-]=[N+]=NCC(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024859641	0	33	0.0	-22.84	315.03	-5.08	-27.92
[N-]=[N+]=NCC(=O)NC1CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024859641	1	32	-1.0	-58.27	311.54	-5.84	-64.11
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC(=O)N2)C1	REAL300024859642	0	38	-1.0	-59.17	344.67	-3.41	-62.58
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C([N+](=O)[O-])C=NN2)C1	REAL300024859643	0	36	-1.0	-51.67	343.45	-1.00	-52.67
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NNC=C2[N+](=O)[O-])C1	REAL300024859643	1	36	-1.0	-58.74	344.46	-1.05	-59.79
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC(=O)N(C3CC3)C2)C1	REAL300024859644	0	45	-1.0	-57.88	391.51	0.20	-57.68
CC(C)(CO)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859645	0	40	-1.0	-49.58	350.25	-3.37	-52.95
C=CN1N=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859646	0	38	-1.0	-52.31	350.66	-0.25	-52.56
CC1=COC(C(C)C)=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859647	0	46	-1.0	-50.25	408.07	1.75	-48.50
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(O)C2CCCCCC2)C1	REAL300024859648	0	50	-1.0	-46.69	402.94	0.35	-46.34
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3C(=O)NCC3=C2)C1	REAL300024859649	0	42	-1.0	-55.15	380.05	-1.53	-56.68
CN1C=CN=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859650	0	37	-1.0	-49.71	339.18	-0.62	-50.33
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=COC3=C(F)C=CC=C23)C1	REAL300024859651	0	40	-1.0	-54.46	372.91	1.39	-53.07
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=COC3=C2C(=O)NCC3)C1	REAL300024859652	0	42	-1.0	-60.57	377.85	-1.08	-61.65
CC1=C(C)NC(C=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859653	0	44	-1.0	-52.17	396.42	0.14	-52.03
CCC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C(C)O1	REAL300024859654	0	43	-1.0	-47.52	382.93	1.29	-46.23
COCC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC=CC1	REAL300024859655	0	45	-1.0	-48.12	386.51	0.69	-47.43
CCC1=NC(C)=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(C)=N1	REAL300024859656	0	47	-1.0	-49.99	414.37	0.46	-49.53
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN(C3COC3)N=N2)C1	REAL300024859657	0	41	-1.0	-50.63	375.03	-3.68	-54.31
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN3N=CN=C3C=C2)C1	REAL300024859658	0	39	-1.0	-56.17	359.64	1.42	-54.75
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3C=NOC3=CC=C2)C1	REAL300024859659	0	39	-1.0	-55.09	358.23	0.37	-54.72
O=C(CC(O)C1CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859660	0	41	-1.0	-49.14	365.45	-1.54	-50.68
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC(F)=CC=C2Cl)C1	REAL300024859661	0	36	-1.0	-49.11	354.03	-0.36	-49.47
CN1C=CC2=CC=NC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)=C21	REAL300024859662	0	43	-1.0	-52.75	386.46	0.44	-52.31
O=C(COC1CCCOC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859663	0	45	-1.0	-49.76	390.04	-0.72	-50.48
COC1(C(F)(F)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024859664	0	44	-1.0	-47.26	383.84	0.78	-46.48
COC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCCOC1	REAL300024859665	0	48	-1.0	-48.64	404.67	-0.43	-49.07
CC(C)CC(F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859666	0	42	-1.0	-50.41	367.14	0.73	-49.68
CC1(C#CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)COC1	REAL300024859667	0	40	-1.0	-52.30	369.07	-0.87	-53.17
CC(=CC1CC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859668	0	41	-1.0	-46.68	361.73	1.42	-45.26
CC(C)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=NNC=N1	REAL300024859669	0	45	-1.0	-55.59	389.02	0.39	-55.20
CC(C)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=NN=CN1	REAL300024859669	1	45	-1.0	-53.82	387.27	0.79	-53.03
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3(CC(=O)N3)C2)C1	REAL300024859670	0	42	-1.0	-54.89	374.92	-3.50	-58.39
CC1(C)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1(F)F	REAL300024859671	0	40	-1.0	-49.67	359.48	0.75	-48.92
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(O)CC3CCC2C3)C1	REAL300024859672	0	45	-1.0	-47.43	373.49	-1.40	-48.83
CCC1CCC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859673	0	52	0.0	-75.98	418.98	2.52	-73.46
CCC1CCC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859673	1	52	0.0	-76.23	419.03	2.44	-73.79
O=C(C=CC1=COC=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859674	0	37	-1.0	-52.37	350.29	-3.10	-55.47
CC(=CN1C=CN=N1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859675	0	40	-1.0	-52.61	362.05	-0.45	-53.06
CC(C)N1C=NN=C1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859676	0	45	-1.0	-60.71	398.30	1.83	-58.88
CCC(O)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=C1	REAL300024859677	0	47	-1.0	-47.85	402.21	-0.27	-48.12
O=C(CC1(CO)CCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859678	0	44	-1.0	-46.79	375.84	-2.23	-49.02
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=COC3=C2CCCC3)C1	REAL300024859679	0	44	-1.0	-52.99	382.97	1.65	-51.34
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(C3CCCO3)CCC2)C1	REAL300024859680	0	48	-1.0	-48.47	396.60	1.84	-46.63
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024859681	0	47	0.0	-73.39	404.92	0.50	-72.89
CN(C)CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024859681	1	46	-1.0	-50.45	402.27	-1.91	-52.36
CC(C)(C)C1=NOC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859682	0	45	-1.0	-52.16	386.92	0.85	-51.31
O=C(CC1(CO)CCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859683	0	47	-1.0	-48.62	390.01	-1.48	-50.10
CCCCC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C(C)O1	REAL300024859684	0	49	-1.0	-49.10	425.87	2.94	-46.16
CN1N=NC2=C1C(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)CCC2	REAL300024859685	0	46	-1.0	-53.92	395.51	-0.59	-54.51
CON=C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CO1	REAL300024859686	0	41	-1.0	-51.94	378.15	0.54	-51.40
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCN3N=CN=C3C2)C1	REAL300024859687	0	43	-1.0	-52.48	378.16	0.89	-51.59
CC1(C)NC(=O)CC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859688	0	44	-1.0	-55.20	380.91	-2.59	-57.79
C=CCC1=CC=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859689	0	44	-1.0	-49.45	385.54	2.95	-46.50
COC1C[C@@H]2CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C[C@H]12	REAL300024859690	0	48	-1.0	-50.65	399.88	1.08	-49.57
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=NC3=C2NC(=O)N3)C1	REAL300024859691	0	40	-1.0	-57.39	366.62	-2.80	-60.19
O=C(CC1=NC=CS1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859692	0	36	-1.0	-53.77	347.27	-1.31	-55.08
CC1=CC=CN=C1C(F)(F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859693	0	42	-1.0	-51.01	381.25	1.16	-49.85
C[NH+]1C2CCC1CC(CC(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024859694	0	53	0.0	-75.47	403.73	1.77	-73.70
CSC1=C(F)C=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859695	0	41	-1.0	-49.15	383.64	2.05	-47.10
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC=CO2)C1	REAL300024859696	0	39	-1.0	-52.54	347.98	0.32	-52.22
CC(O)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024859697	0	44	-1.0	-47.84	375.50	-1.58	-49.42
CC1(C)CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024859698	0	44	-1.0	-53.69	379.79	0.60	-53.09
CC(O)C1=CN(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=N1	REAL300024859699	0	43	-1.0	-63.00	389.83	-4.18	-67.18
CN1N=CC=C1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859700	0	40	-1.0	-56.99	362.70	-0.83	-57.82
O=C(CC1CSC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859701	0	38	-1.0	-49.33	350.15	0.28	-49.05
CC1=NNC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[N+](=O)[O-]	REAL300024859702	0	39	-1.0	-51.63	371.51	-1.22	-52.85
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=C3N=CC=CN23)C1	REAL300024859703	0	39	-1.0	-58.64	356.57	2.00	-56.64
CSC1=C(C)OC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859704	0	41	-1.0	-48.76	386.17	0.77	-47.99
COCCNC(=O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859705	0	41	-1.0	-48.69	374.79	-4.56	-53.25
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1C=CC(C2CC2)=N1	REAL300024859706	0	47	-1.0	-56.26	412.88	1.64	-54.62
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(F)CCC2)C1	REAL300024859707	0	37	-1.0	-47.44	335.55	-0.11	-47.55
CC(C)C1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=NN1C	REAL300024859708	0	46	-1.0	-50.20	391.29	0.14	-50.06
O=C(CSC1=CC=NC=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859709	0	40	-1.0	-54.07	376.08	0.36	-53.71
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC3=CC=CC=C3S2)C1	REAL300024859710	0	39	-1.0	-49.99	373.25	0.42	-49.57
O=C(CSC1=CC=C(F)C=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859711	0	41	-1.0	-52.93	387.36	2.20	-50.73
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3NC=NC3=C2)C1	REAL300024859712	0	40	-1.0	-58.80	363.47	0.54	-58.26
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CSCCS2)C1	REAL300024859713	0	39	-1.0	-49.38	366.11	0.72	-48.66
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(Cl)=CC=N2)C1	REAL300024859714	0	36	-1.0	-48.98	351.81	-0.23	-49.21
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=C1	REAL300024859715	0	46	-1.0	-47.16	400.04	2.78	-44.38
NC(=O)C=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859716	0	35	-1.0	-52.02	332.38	-4.68	-56.70
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C[N+]([O-])=C2)C1	REAL300024859717	0	37	-1.0	-69.31	345.12	-0.48	-69.79
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1C=C(Cl)C=N1	REAL300024859718	0	40	-1.0	-54.86	378.23	0.09	-54.77
C=CCCCCCCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859719	0	55	-1.0	-50.04	465.71	4.70	-45.34
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)NC=N2)C1	REAL300024859720	0	36	-1.0	-58.33	340.01	-2.26	-60.59
C#CCSCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859721	0	36	-1.0	-54.56	352.72	0.53	-54.03
O=C(CSCC1=CC=CC=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859722	0	44	-1.0	-53.63	406.84	3.04	-50.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CN=C2Cl)C1	REAL300024859723	0	36	-1.0	-55.14	345.47	-0.34	-55.48
CC(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859724	0	34	-1.0	-47.32	313.26	-3.56	-50.88
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3N=CNC3=CC(F)=C2)C1	REAL300024859725	0	40	-1.0	-57.35	369.39	0.86	-56.49
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3NC=NC3=CC(F)=C2)C1	REAL300024859725	1	40	-1.0	-50.81	367.98	0.77	-50.04
O=C(CC1=CN2C=CSC2=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859726	0	40	-1.0	-61.28	378.94	1.50	-59.78
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(O)CCC2)C1	REAL300024859727	0	38	-1.0	-49.49	335.66	-3.09	-52.58
O=C(CSCC1=CC=CC=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859728	0	43	-1.0	-56.21	401.84	1.20	-55.01
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(O)C2CC2)C1	REAL300024859729	0	38	-1.0	-50.01	345.26	-1.99	-52.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC=C2CO)C1	REAL300024859730	0	41	-1.0	-48.24	363.50	-1.59	-49.83
NC(=O)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024859731	0	41	-1.0	-48.84	365.77	-3.60	-52.44
O=C(CN1C=NN=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859732	0	36	-1.0	-57.21	337.95	1.35	-55.86
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC3=CC=CC=C32)C1	REAL300024859733	0	44	-1.0	-49.59	379.80	2.97	-46.62
CSC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024859734	0	40	-1.0	-50.04	375.54	0.43	-49.61
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(C(=O)NC3CC3)CC2)C1	REAL300024859735	0	45	-1.0	-49.25	405.64	-0.86	-50.11
O=C(CSCC1=CC=CS1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859736	0	41	-1.0	-53.79	397.14	2.05	-51.74
[NH2+]=C1SC=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859737	0	39	0.0	-71.26	365.08	-0.41	-71.67
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC(CO)=C2)C1	REAL300024859738	0	41	-1.0	-53.44	370.67	-1.77	-55.21
C=CCC(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859739	0	40	-1.0	-49.53	353.40	0.45	-49.08
CSCC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024859740	0	41	-1.0	-49.81	388.74	0.95	-48.86
O=C(CSC1=NNC(=O)[N-]1)N1CC([N-]C(=O)C(F)(F)C(F)(F)F)C1	REAL300024859741	0	32	-2.0	-81.31	329.99	-2.30	-83.61
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(F)(F)C(F)(F)F)C1	REAL300024859741	1	33	-1.0	-45.99	331.95	-0.81	-46.80
CCSC1=CC=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859742	0	44	-1.0	-52.18	394.99	2.85	-49.33
O=C(CC1C(=O)N=CNC1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859743	0	40	-1.0	-59.62	364.91	-2.35	-61.97
O=CNC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859744	0	41	-1.0	-54.86	372.36	-0.92	-55.78
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC2F)C1	REAL300024859745	0	34	-1.0	-49.89	319.19	-0.56	-50.45
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC=C2C(F)F)C1	REAL300024859746	0	40	-1.0	-47.76	366.08	1.67	-46.09
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=NC(OCCO)=C2)C1	REAL300024859747	0	44	-1.0	-56.36	398.42	-4.46	-60.82
CC1(OCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024859748	0	44	-1.0	-52.96	379.61	0.80	-52.16
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859749	0	46	0.0	-76.04	388.45	-2.60	-78.64
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859749	1	46	0.0	-75.87	388.44	-2.68	-78.55
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024859750	0	42	0.0	-73.78	356.16	-0.27	-74.05
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N(C)C	REAL300024859750	1	41	-1.0	-50.31	348.43	-2.63	-52.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3OC=NC3=C2)C1	REAL300024859751	0	39	-1.0	-56.95	359.44	-2.18	-59.13
O=C(CCF)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859752	0	33	-1.0	-49.52	309.00	-1.17	-50.69
O=C(CN1C=CN=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859753	0	36	-1.0	-63.21	336.50	-2.19	-65.40
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859754	0	46	0.0	-72.67	370.61	0.84	-71.83
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859754	1	46	0.0	-71.60	379.97	1.01	-70.59
CN1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859754	1	45	-1.0	-46.72	377.06	-1.30	-48.02
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3C=C(F)C=CC3=NN2)C1	REAL300024859755	0	40	-1.0	-49.92	371.31	-0.33	-50.25
O=C(CCC1=NC=C(F)C=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859756	0	41	-1.0	-51.12	380.24	-0.26	-51.38
C=CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024859757	0	41	-1.0	-48.59	356.39	1.48	-47.11
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(O)COC2)C1	REAL300024859758	0	36	-1.0	-51.22	327.97	-5.34	-56.56
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(F)N=C2F)C1	REAL300024859759	0	36	-1.0	-57.57	343.77	-0.87	-58.44
CCC(C)C(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859760	0	43	-1.0	-49.85	367.89	-1.31	-51.16
COC1=CC=CC=C1C(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859761	0	45	-1.0	-49.32	393.50	-0.55	-49.87
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC=NC=C2Cl)C1	REAL300024859762	0	35	-1.0	-48.49	342.85	-0.48	-48.97
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)=C1CC1	REAL300024859763	0	38	-1.0	-50.22	345.24	0.83	-49.39
CC1CN2CC[N@@H+]1CC2C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859764	0	49	0.0	-71.05	390.91	-1.69	-72.74
CC1CN2CC[N@H+]1CC2C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859764	1	49	0.0	-80.26	389.29	-1.71	-81.97
CC1CN2CCN1CC2C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859764	1	48	-1.0	-50.11	387.90	-4.07	-54.18
O=C(C[C@H]1CCCC[C@@H]1O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859765	0	47	-1.0	-50.50	392.12	-1.33	-51.83
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1C=NN=N1	REAL300024859766	0	38	-1.0	-60.83	349.86	-1.37	-62.20
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=NC(Cl)=C2)C1	REAL300024859767	0	35	-1.0	-51.44	344.92	-1.51	-52.95
CN1C=C(OCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024859768	0	41	-1.0	-56.51	376.14	-0.67	-57.18
COC12CCC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)(CC1)CC2	REAL300024859769	0	51	-1.0	-50.09	408.67	0.78	-49.31
O=NN1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859770	0	40	-1.0	-53.07	361.11	-2.09	-55.16
O=C(CCCC1=NC=CS1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859771	0	42	-1.0	-54.42	390.17	0.29	-54.13
CC1=CSC(CCCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859772	0	45	-1.0	-54.64	411.92	0.96	-53.68
CCC1CC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859773	0	40	-1.0	-49.65	355.75	0.81	-48.84
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NN3CCNC(=O)C3=C2)C1	REAL300024859774	0	42	-1.0	-57.89	382.62	-3.72	-61.61
CS(C)(=O)=NCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859775	0	40	-1.0	-62.12	370.95	-4.62	-66.74
[N-]=[N+]=NCCCCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859776	0	47	-1.0	-50.97	418.54	-1.55	-52.52
CC(O)CCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859777	0	43	-1.0	-52.27	377.25	-2.28	-54.55
CC1=NOC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859778	0	39	-1.0	-51.87	359.43	-0.23	-52.10
O=C(CC1=CN=CC=C1Cl)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859779	0	39	-1.0	-52.58	371.78	0.31	-52.27
O=C(CC1(O)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859780	0	38	-1.0	-54.22	344.41	-3.37	-57.59
O=C(CCCCC(F)(F)F)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859781	0	42	-1.0	-50.76	385.04	1.40	-49.36
O=C(CC1=CC=NNC1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859782	0	39	-1.0	-58.98	361.02	-2.78	-61.76
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C([N+](=O)[O-])O1	REAL300024859783	0	39	-1.0	-49.71	369.98	0.33	-49.38
CC1=CC(=O)N(CCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024859784	0	45	-1.0	-58.10	404.31	0.99	-57.11
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C3CCOCC32)C1	REAL300024859785	0	42	-1.0	-51.29	356.62	0.97	-50.32
CC1=CN(C(C)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=C1	REAL300024859786	0	43	-1.0	-55.17	383.03	0.25	-54.92
CC(C)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1C=NN=C1	REAL300024859787	0	45	-1.0	-56.35	396.43	3.18	-53.17
O=C(CCC1=CC=C(F)N=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859788	0	42	-1.0	-50.97	385.13	0.54	-50.43
O=C(C=CCF)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859789	0	34	-1.0	-51.99	322.18	-0.59	-52.58
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(CC(F)F)CCC2)C1	REAL300024859790	0	43	-1.0	-51.93	377.07	1.18	-50.75
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(F)CC2CC2)C1	REAL300024859791	0	40	-1.0	-46.85	361.85	0.95	-45.90
CCC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024859792	0	46	-1.0	-49.16	388.12	2.08	-47.08
CC1=C2N=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C=CN2N=C1	REAL300024859793	0	42	-1.0	-51.26	384.39	0.54	-50.72
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859794	0	45	-1.0	-50.08	392.98	-2.18	-52.26
CN1N=CC=C1C(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859795	0	41	-1.0	-51.53	369.23	-2.85	-54.38
CC12CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)(CO1)CCC2	REAL300024859796	0	48	-1.0	-47.79	395.01	0.18	-47.61
CN1N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C2=C1CCOC2	REAL300024859797	0	45	-1.0	-52.51	395.07	-1.35	-53.86
CC1=CC=CN=C1C=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859798	0	43	-1.0	-50.76	387.36	1.19	-49.57
CCC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024859799	0	49	-1.0	-49.15	402.30	2.55	-46.60
COCC1=CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024859800	0	43	-1.0	-57.79	392.25	-1.08	-58.87
CC1=NC(CO)=NC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859801	0	42	-1.0	-51.28	377.54	-3.89	-55.17
CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC(C2CC2)=NO1	REAL300024859802	0	45	-1.0	-50.83	398.39	0.54	-50.29
CC(C)C1=CC=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1F	REAL300024859803	0	46	-1.0	-50.17	401.23	2.85	-47.32
CC(C)(C)C1=CC=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859804	0	48	-1.0	-48.93	411.83	1.62	-47.31
COC1C[N@@H+]2CCCC2(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859805	0	51	0.0	-78.42	415.37	0.42	-78.00
COC1C[N@H+]2CCCC2(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859805	1	51	0.0	-76.29	412.57	0.23	-76.06
O=C(C=CC1=NC=CN1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859806	0	38	-1.0	-51.71	354.80	-0.87	-52.58
CC(=CC1=CC=C(F)C=C1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859807	0	44	-1.0	-50.46	391.21	2.82	-47.64
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC3=CN=NN32)C1	REAL300024859808	0	39	-1.0	-53.79	357.14	-0.32	-54.11
CC(=O)NC1(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859809	0	44	-1.0	-50.83	391.93	-1.61	-52.44
CNC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859810	0	42	-1.0	-52.77	375.55	-4.20	-56.97
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC(C3CC3)=NO2)C1	REAL300024859811	0	42	-1.0	-58.12	379.05	0.93	-57.19
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC(F)(CC2)C3)C1	REAL300024859812	0	44	-1.0	-47.22	377.69	1.43	-45.79
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC(C3CCC3)C2)C1	REAL300024859813	0	47	-1.0	-49.93	397.48	2.54	-47.39
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=C3OCCCC3=C2)C1	REAL300024859814	0	44	-1.0	-52.69	386.61	-1.57	-54.26
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C2=CC=CN=C2C=C1	REAL300024859815	0	45	-1.0	-51.67	400.63	1.60	-50.07
O=C(C=CC1=NC2=CC=CC=C2N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859816	0	44	-1.0	-52.65	401.55	1.16	-51.49
CCC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)OC	REAL300024859817	0	43	-1.0	-50.67	371.12	-0.08	-50.75
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=NN1C1CCC1	REAL300024859818	0	47	-1.0	-50.19	406.54	1.35	-48.84
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859819	0	44	0.0	-72.84	392.41	3.59	-69.25
O=C(CC1=CC2=CN=CN2C=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859819	1	43	-1.0	-53.89	389.03	3.00	-50.89
COCC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC=CCC1	REAL300024859820	0	48	-1.0	-52.67	403.95	0.55	-52.12
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300024859821	0	39	-1.0	-49.36	369.32	0.11	-49.25
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(Cl)CC2)C1	REAL300024859822	0	35	-1.0	-52.33	340.51	0.46	-51.87
CCCC1=CC=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024859823	0	49	-1.0	-48.33	426.87	3.89	-44.44
CC1=NN=NN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859824	0	38	-1.0	-63.45	352.38	-1.95	-65.40
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC3=NN=CN32)C1	REAL300024859825	0	39	-1.0	-54.83	355.74	1.85	-52.98
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2C[C@@H]2C2=NN=CN2)C1	REAL300024859826	0	40	-1.0	-54.91	362.70	0.07	-54.84
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2C[C@@H]2C2=NNC=N2)C1	REAL300024859826	1	40	-1.0	-53.10	362.01	0.46	-52.64
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2COC3COCC32)C1	REAL300024859827	0	43	-1.0	-51.22	370.35	-2.66	-53.88
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@]23C[C@H]2[C@H](F)C3)C1	REAL300024859828	0	38	-1.0	-49.48	348.05	0.75	-48.73
CC(C)(C)C1=CN=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859829	0	48	-1.0	-49.93	409.35	1.42	-48.51
O=C(CCC1=CC=CC(=O)N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859830	0	43	-1.0	-57.60	388.47	-0.74	-58.34
CCC1=NNC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[N+](=O)[O-]	REAL300024859831	0	42	-1.0	-51.40	392.99	-0.48	-51.88
NC(=O)NC1=CC=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859832	0	43	-1.0	-53.48	381.43	-2.48	-55.96
O=C(CC1=CC=C(Cl)N=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859833	0	39	-1.0	-55.22	374.15	0.31	-54.91
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CCCOC2)C1	REAL300024859834	0	39	-1.0	-50.11	345.14	-1.17	-51.28
CCN1N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1C	REAL300024859835	0	43	-1.0	-51.45	384.56	0.13	-51.32
CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1(F)F	REAL300024859836	0	37	-1.0	-49.53	341.65	0.27	-49.26
CC1=C(Cl)C=NN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859837	0	40	-1.0	-56.23	379.90	0.03	-56.20
CCC1=NOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859838	0	39	-1.0	-48.31	359.94	-0.25	-48.56
CC(C)(C)C(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859839	0	43	-1.0	-48.92	363.59	-2.30	-51.22
O=CNC1=NC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CS1	REAL300024859840	0	40	-1.0	-59.19	380.48	-1.91	-61.10
CCCCN1N=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859841	0	46	-1.0	-50.27	402.79	1.04	-49.23
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCSCC2)C1	REAL300024859842	0	41	-1.0	-50.73	362.93	0.97	-49.76
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3OC=NC3=CC=C2)C1	REAL300024859843	0	39	-1.0	-58.06	359.15	-1.56	-59.62
C#CCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859844	0	35	-1.0	-50.02	329.69	-0.03	-50.05
CCN1[N-]C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024859845	0	40	-2.0	-88.51	372.80	-1.98	-90.49
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCSC1	REAL300024859846	0	47	0.0	-72.95	397.57	1.55	-71.40
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCSC1	REAL300024859846	1	47	0.0	-80.72	397.28	1.65	-79.07
CN(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCSC1	REAL300024859846	1	46	-1.0	-50.96	395.27	-0.55	-51.51
O=C(CN1CCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859847	0	39	-1.0	-47.64	343.85	-3.47	-51.11
O=C(C[NH+]1CCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859847	1	40	0.0	-68.24	348.17	-0.25	-68.49
CC(C)C(O)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859848	0	43	-1.0	-53.11	371.26	-1.67	-54.78
COC1=NOC(C)=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859849	0	40	-1.0	-51.96	372.13	-2.78	-54.74
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(Cl)CCC2)C1	REAL300024859850	0	38	-1.0	-47.56	352.80	1.08	-46.48
CCC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)SC	REAL300024859851	0	43	-1.0	-52.02	378.57	1.05	-50.97
CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=C1	REAL300024859852	0	39	-1.0	-48.90	356.54	-0.16	-49.06
O=C(CC1=CC(=O)NN1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859853	0	38	-1.0	-64.09	352.35	-3.86	-67.95
CCC1=CSC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859854	0	42	-1.0	-50.81	390.23	0.06	-50.75
CC(C)(C)CC(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859855	0	46	-1.0	-49.67	386.76	-0.63	-50.30
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCC3=C2C=CS3)C1	REAL300024859856	0	44	-1.0	-50.26	392.42	2.33	-47.93
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=C(F)C=C2F)C1	REAL300024859857	0	36	-1.0	-52.05	343.86	-0.77	-52.82
O=C(CC1=CC=C2NC=CC2=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859858	0	44	-1.0	-52.06	393.84	1.63	-50.43
O=C(CC1CSCCS1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859859	0	42	-1.0	-52.18	384.83	1.52	-50.66
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(F)(F)C2(O)CCC2)C1	REAL300024859860	0	41	-1.0	-47.11	368.72	-2.59	-49.70
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=CC=NC=C3N2)C1	REAL300024859861	0	40	-1.0	-49.34	366.36	-0.88	-50.22
CCCC(C)(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859862	0	43	-1.0	-46.23	371.06	-2.55	-48.78
CCOC(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859863	0	43	-1.0	-49.27	368.78	0.15	-49.12
O=C(CC1=CC=CN=C1Cl)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859864	0	39	-1.0	-55.01	371.39	0.23	-54.78
CC1=NC(Cl)=CC=C1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859865	0	42	-1.0	-55.83	391.12	0.76	-55.07
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=CC=CC=C3C=N2)C1	REAL300024859866	0	42	-1.0	-50.85	381.22	1.56	-49.29
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=NC(Cl)=C2F)C1	REAL300024859867	0	36	-1.0	-50.54	354.03	-0.35	-50.89
O=C(CC1CCSCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859868	0	44	-1.0	-46.89	382.17	1.52	-45.37
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(CO)C2=CC=CC=C2)C1	REAL300024859869	0	44	-1.0	-48.44	387.18	-0.63	-49.07
CC1=CC(Cl)=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024859870	0	39	-1.0	-51.06	367.14	0.33	-50.73
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2C[C@@H]2C2=CC=CC=C2)C1	REAL300024859871	0	44	-1.0	-47.53	382.39	2.94	-44.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC3=NC=CN=C3C=C2)C1	REAL300024859872	0	40	-1.0	-53.14	371.12	-1.43	-54.57
CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1Br	REAL300024859873	0	37	-1.0	-47.33	347.39	0.74	-46.59
O=C(CSCC1=CC=NC=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859874	0	43	-1.0	-55.62	401.73	1.28	-54.34
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)SC(CO)=N1	REAL300024859875	0	40	-1.0	-50.33	375.39	-3.98	-54.31
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024859876	0	37	-2.0	-115.60	359.52	1.41	-114.19
CC(=CC1=CC=CN=C1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859877	0	43	-1.0	-49.17	379.84	0.91	-48.26
O=C(CC(F)(F)C1=CC=CC=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859878	0	43	-1.0	-54.51	391.83	2.56	-51.95
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2(C3=NC=CC=C3F)CC2)C1	REAL300024859879	0	43	-1.0	-50.74	394.77	1.11	-49.63
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024859880	0	44	-1.0	-46.02	368.91	1.92	-44.10
COCC1=NNC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859881	0	40	-1.0	-49.41	371.14	-3.11	-52.52
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C[NH+](C)CC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024859882	1	48	0.0	-74.52	412.19	1.35	-73.17
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C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859884	1	44	0.0	-77.23	376.82	0.94	-76.29
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CCOC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024859896	0	44	-1.0	-46.84	378.61	-0.13	-46.97
CCOC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCOCC1	REAL300024859897	0	48	-1.0	-48.12	401.38	-1.09	-49.21
CC1=NSC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859898	0	39	-1.0	-54.80	368.99	0.10	-54.70
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CC(O)C1=CC=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859900	0	44	-1.0	-50.37	381.84	-0.81	-51.18
CC(=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CO1	REAL300024859901	0	41	-1.0	-49.32	371.89	1.06	-48.26
CC1=NN(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)O1	REAL300024859902	0	39	-1.0	-59.54	366.73	-3.49	-63.03
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CC1(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1(F)Cl	REAL300024859905	0	40	-1.0	-46.40	373.21	1.25	-45.15
CC1(C)OCC2CC21C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859906	0	45	-1.0	-48.55	382.11	-0.11	-48.66
C#C[C@H]1C[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859907	0	36	-1.0	-52.68	335.80	0.62	-52.06
CCN1CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1=O	REAL300024859908	0	47	-1.0	-54.49	401.37	0.20	-54.29
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[N-]=[N+]=NC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859911	0	36	-1.0	-46.99	336.20	-3.55	-50.54
CON1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859912	0	46	-1.0	-48.27	387.18	-1.71	-49.98
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CC(NC(=O)C1=CC=CO1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859914	0	44	-1.0	-53.05	400.57	-1.67	-54.72
NC(=O)NC(CO)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859915	0	40	-1.0	-54.24	364.50	-8.87	-63.11
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CC(C)(C)SCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859918	0	43	-1.0	-51.85	381.81	1.11	-50.74
CC1=CC=C([N+](=O)[O-])C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859919	0	42	-1.0	-53.79	383.60	3.25	-50.54
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CC(C)[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859924	0	43	-1.0	-49.35	374.78	1.45	-47.90
C[NH+](C)CCOCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859925	0	46	0.0	-74.05	393.86	0.46	-73.59
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CCCCC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859931	0	54	0.0	-78.43	442.63	2.85	-75.58
CCCCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859931	1	54	0.0	-78.17	442.59	2.93	-75.24
CC(C)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=NC=C1	REAL300024859932	0	45	-1.0	-48.76	388.80	0.74	-48.02
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CCCCC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999150	0	56	0.0	-71.08	455.12	2.33	-68.75
CCCCC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999150	1	56	0.0	-71.23	455.12	2.31	-68.92
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C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2CCCC12	REAL300024999152	0	44	-1.0	-45.97	379.50	1.16	-44.81
COC12CCC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)(CC1)C2	REAL300025005150	0	50	-1.0	-46.69	414.77	-0.32	-47.01
C[C@H](CNC(=O)CC[NH+]1C(C)CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005151	0	57	0.0	-64.91	441.12	1.90	-63.01
C[C@H](CNC(=O)C(F)C1CCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005152	0	43	-1.0	-47.21	372.44	-1.84	-49.05
C[C@H](CNC(=O)C1=C(C2CC2)N=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005153	0	42	-1.0	-48.37	376.87	-2.36	-50.73
C[C@H](CNC(=O)C1=NNN=C1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005153	1	42	-1.0	-46.59	378.15	-2.43	-49.02
C[C@H](CNC(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005154	0	54	0.0	-65.31	422.82	1.47	-63.84
C[C@H](CNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005155	0	51	0.0	-68.65	424.46	1.37	-67.28
C#CC1=CC=C(OCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025005156	0	45	-1.0	-50.79	411.11	2.14	-48.65
C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005157	0	54	0.0	-65.29	422.83	1.47	-63.82
C[C@H](CNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005158	0	49	0.0	-62.64	396.71	0.80	-61.84
C[C@H](CNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005158	1	49	0.0	-69.23	401.75	0.86	-68.37
C[C@H](CNC(=O)C1CNC2=NC=NN2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005159	0	44	-1.0	-51.53	384.75	0.06	-51.47
C[C@H](CNC(=O)CCC12CCC(CC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005160	0	52	-1.0	-45.35	423.53	2.38	-42.97
CC1=NN(C)C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005161	0	45	-1.0	-51.99	397.89	-0.82	-52.81
C[C@H](CNC(=O)C(O)CCN1C=NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005162	0	45	-1.0	-52.81	403.38	-0.79	-53.60
C[C@H](CNC(=O)[C@H]1C[C@](F)(CO)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005163	0	43	-1.0	-52.39	377.33	-3.33	-55.72
C[C@H](CNC(=O)C1CC2CCCCCCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005164	0	55	-1.0	-44.98	425.44	2.56	-42.42
C[C@H](CNC(=O)CC1CC(C)OC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005165	0	49	-1.0	-46.95	411.83	-0.34	-47.29
C[C@H](CNC(=O)[C@@H]1C[C@H]1C#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005166	0	37	-1.0	-48.99	346.46	-0.73	-49.72
CCCC(CC)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005167	0	50	-1.0	-45.13	406.99	1.39	-43.74
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005168	0	45	-1.0	-50.07	398.24	0.59	-49.48
C=C(C)CCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005169	0	45	-1.0	-46.18	392.10	0.85	-45.33
C[C@H](CNC(=O)C1=CC=C2NCCOC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005170	0	46	-1.0	-49.90	399.06	-1.56	-51.46
CC1=NN2CCCNC2=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005171	0	48	-1.0	-51.58	415.37	-1.69	-53.27
C[C@H](CNC(=O)CC1CC(O)C1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005172	0	49	-1.0	-48.05	409.22	-2.11	-50.16
C[C@H](CNC(=O)C1=CON=C1C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005173	0	45	-1.0	-48.43	395.33	0.49	-47.94
CCC1=NC(N)=NC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005174	0	45	-1.0	-47.47	390.76	-0.89	-48.36
C[C@H](CNC(=O)C=CC1=CN=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005175	0	41	-1.0	-48.73	377.11	-1.78	-50.51
C[C@H](CNC(=O)CN1C=C(C#N)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005176	0	40	-1.0	-54.93	376.44	-1.05	-55.98
C[C@H](CNC(=O)CCC(=O)C1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005177	0	46	-1.0	-49.47	411.83	-0.03	-49.50
CCC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300025005178	0	46	-1.0	-47.02	400.08	-0.38	-47.40
C[C@H](CNC(=O)C1=CC=C2CCCC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005179	0	45	-1.0	-47.61	393.08	0.53	-47.08
CCOC(=O)C1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC=CC1	REAL300025005180	0	49	-1.0	-46.57	422.32	1.54	-45.03
C[C@H](CNC(=O)CC(C)(C)C(C)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005181	0	47	-1.0	-45.47	391.89	0.53	-44.94
C[C@H](CNC(=O)C1CCCC2(CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005182	0	52	-1.0	-44.96	419.97	2.28	-42.68
CC1=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300025005183	0	41	-1.0	-53.35	371.15	-1.41	-54.76
C[C@H](CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005184	0	43	-1.0	-50.96	390.46	-0.19	-51.15
C[C@H](CNC(=O)C1(N2C=NN=N2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005185	0	41	-1.0	-51.42	376.75	-1.29	-52.71
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C[C@H](CNC(=O)C1CCC2=NN=NN2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005187	0	44	-1.0	-54.31	384.33	-1.89	-56.20
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C[C@H](CNC(=O)C1=CC=C2CC(=O)NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005191	0	44	-1.0	-50.11	392.27	-1.16	-51.27
C[C@H](CNC(=O)C1CC2CC(O)CC(C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005192	0	53	-1.0	-46.49	420.69	-0.96	-47.45
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C[C@H](CNC(=O)[C@H]1C[C@@H](O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005194	0	40	-1.0	-48.50	353.10	-4.04	-52.54
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C[C@H](CNC(=O)CCC1CC1(Cl)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005196	0	42	-1.0	-47.03	399.50	1.43	-45.60
COC(=O)C1CCOC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005197	0	46	-1.0	-53.10	400.02	-0.26	-53.36
C[C@H](CNC(=O)CC1CC1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005198	0	45	-1.0	-45.87	385.91	0.77	-45.10
C[C@H](CNC(=O)C1=C2C=CC=NN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005199	0	42	-1.0	-51.34	378.20	0.21	-51.13
C[C@H](CNC(=O)CCC1=CC=CN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005200	0	44	-1.0	-49.27	404.03	0.40	-48.87
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C[C@H](CNC(=O)C1=CC=CC2=C1C(=O)CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005202	0	45	-1.0	-54.12	392.26	2.87	-51.25
C[C@H](CNC(=O)C1=CNC(=S)N1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005203	0	44	-1.0	-55.22	394.71	0.57	-54.65
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C[C@H](CNC(=O)C1=NC(=O)SC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005205	0	39	-1.0	-50.74	368.24	-3.60	-54.34
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C[C@H](CNC(=O)C1(C2=CC=NC=C2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005206	0	48	-1.0	-47.10	411.58	0.93	-46.17
CSC1=CC=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005207	0	42	-1.0	-48.86	382.41	-0.35	-49.21
C[C@H](CNC(=O)C1CCC12CCOCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005208	0	50	-1.0	-46.06	409.48	-0.22	-46.28
C[C@H](CNC(=O)C1=CC(C2(C)CC2)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005209	0	46	-1.0	-47.85	403.88	-0.55	-48.40
C[C@H](CNC(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005210	0	39	-2.0	-88.63	366.26	-3.51	-92.14
C[C@H](CNC(=O)C1=NOC2=NC=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005211	0	40	-1.0	-51.88	370.62	-3.37	-55.25
C[C@H](CNC(=O)C1=NC=CC(N)=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005212	0	40	-1.0	-48.09	373.06	-2.87	-50.96
C[C@H](CNC(=O)C1=CC=C(C(F)F)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005213	0	41	-1.0	-47.65	381.78	-0.41	-48.06
C[C@H](CNC(=O)C1=C(Cl)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005214	0	37	-1.0	-47.41	353.04	-0.14	-47.55
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CC1=CC(C=CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CN=C1N	REAL300025005216	0	47	-1.0	-49.52	412.56	-0.70	-50.22
CC1=CC(C=CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300025005216	1	48	0.0	-66.62	415.71	-0.24	-66.86
COC1=CC=CC(NCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005217	0	48	-1.0	-48.59	417.33	-1.34	-49.93
CC1=NN=NN1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005218	0	40	-1.0	-57.32	364.91	-2.55	-59.87
C[C@H](CNC(=O)C1=CC=CC2=NN=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005219	0	41	-1.0	-53.70	368.24	1.33	-52.37
C[C@H](CNC(=O)C1CCOC(=O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005220	0	45	-1.0	-52.71	383.99	-0.16	-52.87
C[C@H](CNC(=O)[C@@H]1C[C@@H]1C1=NN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005221	0	42	-1.0	-55.24	375.14	-0.46	-55.70
C[C@H](CNC(=O)[C@@H]1C[C@@H]1C1=NNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005221	1	42	-1.0	-51.98	374.50	-0.14	-52.12
C[C@H](CNC(=O)C1COC2COCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005222	0	45	-1.0	-47.14	382.78	-3.28	-50.42
C[C@H](CNC(=O)[C@]12C[C@H]1[C@H](F)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005223	0	40	-1.0	-47.90	360.51	0.14	-47.76
C[C@H](CNC(=O)C1=CN=CC(C(C)(C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005224	0	50	-1.0	-47.13	421.83	0.89	-46.24
C[C@H](CNC(=O)CCC1=CC=CC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005225	0	45	-1.0	-53.90	401.00	-1.34	-55.24
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CCCCC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005236	0	56	0.0	-69.75	455.12	2.32	-67.43
CCCCC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005236	1	56	0.0	-69.78	455.12	2.31	-67.47
C[C@H](CNC(=O)C(C)(C)C1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005237	0	47	-1.0	-48.19	401.29	0.23	-47.96
C[C@H](CNC(=O)C1CSCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005238	0	42	-1.0	-48.05	374.43	-2.44	-50.49
C[C@H](CNC(=O)C1=CC2CCCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005239	0	44	-1.0	-45.60	379.90	1.14	-44.46
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCOC1=CC=CC=C1F	REAL300025009150	0	46	-1.0	-49.42	411.05	0.78	-48.64
CCC1=CC=CC=C1OCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009151	0	49	-1.0	-50.18	425.58	2.42	-47.76
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C(C=CS2)N1	REAL300025009152	0	40	-1.0	-48.06	374.20	-0.60	-48.66
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C2C=CC=CC2=NN1C	REAL300025009153	0	45	-1.0	-50.62	402.19	0.25	-50.37
CC(C)C1=CC=CC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025009154	0	48	-1.0	-46.87	410.52	2.30	-44.57
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)N2C=CC=CC2=N1	REAL300025009155	0	42	-1.0	-51.64	386.56	0.86	-50.78
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(F)CCCCC1	REAL300025009156	0	45	-1.0	-44.74	381.44	0.59	-44.15
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2C=CN(C)C2=C1	REAL300025009157	0	46	-1.0	-49.81	404.01	2.16	-47.65
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C2SC=CC2=CC=C1	REAL300025009158	0	42	-1.0	-49.49	384.81	1.76	-47.73
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C(=O)NC(=O)C1(C)C	REAL300025009159	0	47	-1.0	-54.42	412.21	-3.10	-57.52
COC1=CC=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025009160	0	41	-1.0	-47.37	374.82	-4.21	-51.58
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(C2CC2)OC=N1	REAL300025009161	0	42	-1.0	-47.47	379.12	-2.61	-50.08
CCC1=NC(C)=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025009162	0	44	-1.0	-46.58	390.79	-2.77	-49.35
CC1=NC2=C(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)C=CC=C2N1	REAL300025009163	0	45	-1.0	-56.16	397.50	0.04	-56.12
CC1=NC2=CC=CC(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)=C2N1	REAL300025009163	1	45	-1.0	-50.70	396.03	0.06	-50.64
CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009164	0	47	0.0	-69.66	390.63	0.01	-69.65
CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009164	1	47	0.0	-69.56	390.63	0.00	-69.56
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC12CCCC2	REAL300025009165	0	46	-1.0	-45.48	387.97	1.38	-44.10
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1=CN=CC=N1	REAL300025009166	0	43	-1.0	-48.76	385.34	-1.76	-50.52
CC1=CC(CCC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC(C)=C1	REAL300025009167	0	51	-1.0	-46.89	439.18	3.19	-43.70
CC(C)C1CC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025009168	0	52	-1.0	-46.57	418.83	0.32	-46.25
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C2CCCCN2N=C1	REAL300025009169	0	46	-1.0	-49.19	394.40	-0.21	-49.40
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=CN=CC=C2C=C1	REAL300025009170	0	44	-1.0	-48.79	391.28	0.89	-47.90
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCN1C=NC=N1	REAL300025009171	0	44	-1.0	-55.31	393.61	1.29	-54.02
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=CC=NC=C2C=C1	REAL300025009172	0	44	-1.0	-49.25	391.30	0.90	-48.35
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CSC(Cl)=N1	REAL300025009173	0	35	-1.0	-46.13	354.66	-2.09	-48.22
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)CC(F)(F)F	REAL300025009174	0	44	-1.0	-45.29	381.17	0.19	-45.10
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2C(=C1)CCN2C	REAL300025009175	0	48	-1.0	-47.66	411.04	0.26	-47.40
CC1=CON=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009176	0	38	-1.0	-47.70	347.87	-1.67	-49.37
CC(C)C1=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N=CO1	REAL300025009177	0	44	-1.0	-47.07	388.83	-2.77	-49.84
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)CC1=CC=CC=C1	REAL300025009178	0	51	-1.0	-46.01	425.96	2.71	-43.30
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC(=O)NC1=O	REAL300025009179	0	44	-1.0	-56.29	392.30	-3.45	-59.74
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C(CCCC2)N1	REAL300025009180	0	47	-1.0	-47.87	400.97	0.61	-47.26
CCC(=O)N1CCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025009181	0	49	-1.0	-53.83	418.99	-0.56	-54.39
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CNC(=O)C1=CSC=N1	REAL300025009182	0	42	-1.0	-51.66	396.55	-4.11	-55.77
COC(CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300025009183	0	42	-1.0	-47.14	382.95	-1.05	-48.19
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CC(C)C1CC(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025009185	0	55	-1.0	-46.31	444.84	1.07	-45.24
CCC1CC(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025009186	0	52	-1.0	-46.42	427.82	0.54	-45.88
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(C2CCC2)=N1	REAL300025009204	0	45	-1.0	-46.30	399.34	-2.18	-48.48
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC(F)(F)C1	REAL300025009208	0	45	-1.0	-46.89	387.24	0.77	-46.12
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC=C1C1(C)CC1	REAL300025009209	0	49	-1.0	-45.50	414.47	3.02	-42.48
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C1=CC=CC(F)=C1	REAL300025009213	0	48	-1.0	-49.46	412.00	2.06	-47.40
CC(C)CCN1C=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025009214	0	50	-1.0	-49.31	433.54	-0.38	-49.69
CCC1=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N=NN1CC	REAL300025009215	0	47	-1.0	-49.23	406.31	-1.33	-50.56
CC(CC1=CC=CC=C1F)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009216	0	48	-1.0	-48.34	418.45	2.41	-45.93
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C(C=CO2)S1	REAL300025009217	0	39	-1.0	-48.53	369.95	-0.28	-48.81
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CCNC1=O	REAL300025009218	0	43	-1.0	-48.04	374.06	-3.81	-51.85
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1	REAL300025009219	0	44	-1.0	-61.49	389.00	-3.69	-65.18
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(C2CC2)SC=N1	REAL300025009220	0	42	-1.0	-46.96	384.77	-0.30	-47.26
CCOC1CC2(CC2C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025009221	0	50	-1.0	-46.63	428.02	0.75	-45.88
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2N=CN(C)C2=N1	REAL300025009222	0	44	-1.0	-50.12	395.83	0.96	-49.16
CC1=NC=CC=C1CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009223	0	44	-1.0	-50.96	386.77	-0.26	-51.22
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(C2CC2)N=CO1	REAL300025009224	0	42	-1.0	-47.95	378.89	-2.62	-50.57
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CN(C)N=C1Cl	REAL300025009225	0	42	-1.0	-52.46	394.60	-0.72	-53.18
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C(C)(C)C)C=N1	REAL300025009226	0	47	-1.0	-51.80	410.69	0.68	-51.12
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300025009228	0	48	0.0	-66.01	395.45	0.49	-65.52
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300025009230	0	48	0.0	-67.71	395.87	0.50	-67.21
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300025009230	1	48	0.0	-67.95	396.75	0.47	-67.48
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CF)CCOCC1	REAL300025009231	0	46	-1.0	-47.13	384.82	-1.25	-48.38
CC1=NC=C2CC(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300025009232	0	49	-1.0	-52.23	416.35	1.09	-51.14
CC1=[NH+]C=C2CC(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300025009232	1	50	0.0	-64.15	419.78	1.56	-62.59
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2=CC=NC=C2C1	REAL300025009233	0	45	-1.0	-49.11	392.01	0.37	-48.74
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(F)(F)C(F)F	REAL300025009234	0	38	-1.0	-53.76	359.14	-0.71	-54.47
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025009235	0	51	0.0	-68.02	415.81	1.06	-66.96
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300025009235	1	51	0.0	-68.08	416.15	1.07	-67.01
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300025009236	0	53	0.0	-68.51	420.31	1.36	-67.15
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300025009236	1	53	0.0	-68.46	418.37	1.22	-67.24
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1=CN=CS1	REAL300025009237	0	41	-1.0	-47.79	381.11	-0.89	-48.68
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	REAL300025009238	0	46	-1.0	-55.38	395.40	-3.39	-58.77
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]1C(N)=O	REAL300025009239	0	40	-1.0	-51.25	361.21	-4.45	-55.70
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(C1CCC1)C1CCC1	REAL300025009240	0	55	-1.0	-44.95	439.43	3.26	-41.69
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(C(F)F)N=CO1	REAL300025009241	0	38	-1.0	-50.26	358.90	-4.01	-54.27
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1=NN(C)N=C1	REAL300025009242	0	44	-1.0	-49.69	393.22	-1.97	-51.66
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C(N)=O)N1	REAL300025009243	0	41	-1.0	-51.83	374.82	-5.06	-56.89
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C(C)(F)F)CC1	REAL300025009244	0	42	-1.0	-45.17	378.56	0.11	-45.06
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1N=NC2=C1CCCC2	REAL300025009245	0	48	-1.0	-55.61	412.96	-0.47	-56.08
CC1=NC(C(C)C)=CC=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009246	0	50	-1.0	-47.32	421.74	1.11	-46.21
CC[C@@H](C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025009247	0	47	0.0	-66.51	380.95	-0.19	-66.70
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(F)F	REAL300025009248	0	41	-1.0	-50.82	362.05	-0.47	-51.29
CCC1=NC=NC(CC)=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009249	0	49	-1.0	-46.79	423.35	0.88	-45.91
CC1=NC(C)=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025009250	0	42	-1.0	-49.00	372.24	-1.60	-50.60
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=CN2C=CN=C12	REAL300025009251	0	41	-1.0	-55.12	374.16	-0.60	-55.72
CC1=NC(C2CC2)=CC=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009252	0	48	-1.0	-47.57	411.38	1.31	-46.26
CC1=NN(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025009253	0	42	-1.0	-53.83	377.09	-0.92	-54.75
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C2C=CNC2=CC=N1	REAL300025009254	0	42	-1.0	-50.70	376.74	-1.29	-51.99
COC1=CC(=O)NC=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009255	0	43	-1.0	-50.85	382.28	-2.82	-53.67
CC(OCC1=CC=NC=C1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009256	0	48	-1.0	-51.97	423.30	0.45	-51.52
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1C[C@H]1C1=CN=CN1C	REAL300025009257	0	46	-1.0	-50.29	406.03	1.61	-48.68
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1=NNN=C1	REAL300025009258	0	41	-1.0	-48.65	370.15	-3.07	-51.72
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1=CNN=N1	REAL300025009258	1	41	-1.0	-52.63	370.25	-2.99	-55.62
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CF)CCC1	REAL300025009259	0	42	-1.0	-45.88	362.36	0.16	-45.72
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009260	0	44	-1.0	-46.91	383.93	-1.28	-48.19
CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009261	0	48	-1.0	-45.81	409.00	1.62	-44.19
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1COC2=CC=CC=C2O1	REAL300025009262	0	45	-1.0	-51.25	398.02	0.49	-50.76
CC1=CC=NC2=NC(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)=NN21	REAL300025009263	0	43	-1.0	-57.72	392.78	1.12	-56.60
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CNC(=O)C1CCCCC1	REAL300025009264	0	52	-1.0	-48.49	435.09	-0.85	-49.34
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CNC(=O)C1=CC=CS1	REAL300025009265	0	43	-1.0	-49.80	401.45	-2.12	-51.92
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CNC(=O)C1=CC=CO1	REAL300025009266	0	43	-1.0	-50.84	393.53	-3.10	-53.94
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN2C=CC=CC2=N1	REAL300025009267	0	42	-1.0	-50.80	380.79	0.88	-49.92
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCOC1=CC=CC=C1	REAL300025009268	0	49	-1.0	-50.15	426.33	1.46	-48.69
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2N=CSC2=C1	REAL300025009269	0	41	-1.0	-49.47	381.42	-0.19	-49.66
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C(=O)NC(C)(C)C1=O	REAL300025009270	0	47	-1.0	-54.07	417.26	-3.01	-57.08
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)S1	REAL300025009271	0	36	-1.0	-45.19	359.49	0.03	-45.16
CC(C)OC1=CC=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025009272	0	49	-1.0	-47.49	419.51	1.28	-46.21
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=CC=CC=C2O1	REAL300025009273	0	42	-1.0	-47.38	381.56	0.81	-46.57
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2CCCCC2=C1	REAL300025009274	0	49	-1.0	-47.01	413.05	2.88	-44.13
CC(CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300025009275	0	48	-1.0	-46.23	409.80	2.31	-43.92
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC1CCCCC1	REAL300025009276	0	54	-1.0	-46.11	438.64	2.82	-43.29
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(C2CC2)C=CS1	REAL300025009282	0	43	-1.0	-46.20	388.09	1.50	-44.70
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(NC(N)=O)C=C1	REAL300025009284	0	45	-1.0	-55.08	399.52	-3.51	-58.59
CC(=O)NCCCCCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009285	0	51	-1.0	-52.85	439.95	-1.23	-54.08
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C2=CC=CC=C2)CC1	REAL300025009286	0	46	-1.0	-46.24	403.64	2.18	-44.06
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC=CC=C1Cl	REAL300025009288	0	42	-1.0	-47.78	388.88	1.48	-46.30
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)C=C1	REAL300025009291	0	41	-1.0	-48.49	373.55	-2.48	-50.97
CCCCC1CCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025009292	0	57	-1.0	-45.65	458.19	3.44	-42.21
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=CC(F)=C1	REAL300025009293	0	39	-1.0	-46.15	363.16	0.53	-45.62
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COC1=CC=CC=C1CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009295	0	46	-1.0	-49.02	403.28	0.43	-48.59
COC1=CC=C(CCC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025009296	0	49	-1.0	-48.03	425.86	1.18	-46.85
CC1=CC=C(OC(C)C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025009297	0	49	-1.0	-50.28	421.93	2.25	-48.03
CC1=CC=CC(OC(C)C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025009298	0	49	-1.0	-50.26	421.92	2.25	-48.01
COC1=CC=CC=C1CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009299	0	49	-1.0	-48.10	424.68	1.24	-46.86
CC1=CC=C(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300025009300	0	48	-1.0	-48.50	413.38	2.27	-46.23
CC1=CC=CC(C)=C1OCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009301	0	49	-1.0	-49.48	425.68	2.43	-47.05
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCNC(=O)C1=CC=CO1	REAL300025009302	0	46	-1.0	-54.92	415.67	-2.47	-57.39
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=NC=N1	REAL300025009303	0	38	-1.0	-55.55	349.96	-0.06	-55.61
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1=CC=CC=C1Cl	REAL300025009304	0	45	-1.0	-47.57	409.03	2.25	-45.32
CC1=NC(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025009305	0	41	-1.0	-50.49	380.39	-1.05	-51.54
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CSC2=C1CCCC2	REAL300025009306	0	46	-1.0	-46.59	401.29	1.96	-44.63
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC1=CC=CS1	REAL300025009307	0	45	-1.0	-48.15	408.08	1.74	-46.41
CCC1=C(C)C=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025009308	0	45	-1.0	-45.99	404.12	1.53	-44.46
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=NC=CN=C2C=C1	REAL300025009309	0	43	-1.0	-52.18	386.35	-1.16	-53.34
CCCC1=C(C)SC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025009310	0	48	-1.0	-45.94	425.65	2.27	-43.67
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C(=O)CNC1=O	REAL300025009311	0	41	-1.0	-55.60	375.33	-4.40	-60.00
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C(=O)CN(C)C1=O	REAL300025009312	0	44	-1.0	-55.45	397.74	-2.00	-57.45
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=CC=CC=C2N1	REAL300025009313	0	43	-1.0	-47.82	384.08	0.34	-47.48
CC1=C(C)SC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025009314	0	42	-1.0	-46.29	382.57	0.74	-45.55
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCCCCC1=O	REAL300025009315	0	49	-1.0	-52.42	406.87	0.10	-52.32
CCC1=C(C)SC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025009316	0	45	-1.0	-46.08	403.16	1.47	-44.61
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(=O)N1CCC(C)C1	REAL300025009317	0	46	-1.0	-46.73	395.57	-1.27	-48.00
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C1CC1)C1CC1	REAL300025009318	0	46	-1.0	-44.97	396.61	1.71	-43.26
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCOC1CCOCC1	REAL300025009322	0	50	-1.0	-47.34	423.57	-1.60	-48.94
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=NNC=N1	REAL300025009326	0	38	-1.0	-54.10	349.57	-2.07	-56.17
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=NN=CN1	REAL300025009326	1	38	-1.0	-58.14	348.18	-1.54	-59.68
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C(=O)N(C)C)CC1	REAL300025009328	0	46	-1.0	-48.06	399.30	-1.37	-49.43
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300025009329	0	55	0.0	-71.10	444.30	2.67	-68.43
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCCN1C(N)=O	REAL300025009332	0	48	-1.0	-53.37	397.43	-1.94	-55.31
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CNN=C1C(C)(C)C	REAL300025009333	0	48	-1.0	-48.82	401.39	-0.81	-49.63
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CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C1=CN(C)N=C1	REAL300025009335	0	45	-1.0	-51.27	395.70	-0.57	-51.84
CCCC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025009336	0	50	-1.0	-44.99	402.76	1.75	-43.24
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCCO1	REAL300025009337	0	49	-1.0	-46.53	410.96	0.00	-46.53
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=CC(F)=CC=C2O1	REAL300025009338	0	42	-1.0	-46.23	388.06	0.87	-45.36
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2=CC(F)=CC=C2O1	REAL300025009339	0	44	-1.0	-50.44	396.02	1.35	-49.09
CCC(CC1=CC=CC=C1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009340	0	51	-1.0	-45.82	426.88	3.10	-42.72
CCC(OC1CCCC1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009341	0	52	-1.0	-48.43	428.78	1.80	-46.63
COC1=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(C)=NN1C	REAL300025009342	0	46	-1.0	-49.08	412.17	-2.51	-51.59
CC(C)N1C=CC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025009343	0	45	-1.0	-48.52	395.98	-0.44	-48.96
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC(N(C)C)=C1	REAL300025009344	0	46	-1.0	-48.82	399.31	0.24	-48.58
CCOC1=CC=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300025009345	0	49	-1.0	-47.46	421.64	1.39	-46.07
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC(C(N)=O)C1	REAL300025009346	0	49	-1.0	-55.18	411.85	-2.68	-57.86
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COC1CCCC(C)C1	REAL300025009347	0	52	-1.0	-48.99	430.18	1.76	-47.23
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC(C2CC2)=N1	REAL300025009348	0	44	-1.0	-46.48	394.94	0.13	-46.35
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CSC2=CN=CN21	REAL300025009349	0	39	-1.0	-47.65	364.07	0.53	-47.12
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COC1CCCCC1C	REAL300025009350	0	52	-1.0	-48.73	429.16	1.82	-46.91
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COC1CCOCC1	REAL300025009351	0	47	-1.0	-50.81	402.62	-1.33	-52.14
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC1CCOC1	REAL300025009352	0	47	-1.0	-50.94	405.63	-1.42	-52.36
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCS(=O)(=O)C1	REAL300025009353	0	45	-1.0	-54.74	394.59	-3.29	-58.03
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCS(=O)(=O)CC1	REAL300025009354	0	45	-1.0	-57.26	394.30	-3.28	-60.54
CC(C)C(C)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009355	0	44	-1.0	-45.33	368.52	-0.03	-45.36
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300025009356	0	45	-1.0	-50.94	397.03	-1.09	-52.03
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)S(C)(=O)=O	REAL300025009357	0	44	-1.0	-60.08	387.71	-3.76	-63.84
CC(CC1CCCCC1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009358	0	54	-1.0	-45.82	432.90	2.56	-43.26
CCC(CC1CCCCC1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009359	0	57	-1.0	-45.68	448.72	3.02	-42.66
CC(CC1CCCC1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009360	0	51	-1.0	-45.88	416.47	1.99	-43.89
CCC(CC1CCCC1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009361	0	54	-1.0	-45.76	432.28	2.45	-43.31
CCCC(CC1CCCC1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009362	0	57	-1.0	-45.48	446.42	2.94	-42.54
CC(C)C(CC1CCCC1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009363	0	57	-1.0	-45.11	451.12	2.99	-42.12
CCOC1=CC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C	REAL300025009364	0	49	-1.0	-47.80	421.72	1.37	-46.43
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN2C=CC=CC2=C1	REAL300025009365	0	43	-1.0	-48.95	384.97	2.00	-46.95
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C(=O)C(=O)N(C)C1=O	REAL300025009366	0	43	-1.0	-53.06	399.69	-2.63	-55.69
CCNC(=O)NC(C)(C)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009367	0	50	-1.0	-48.18	421.82	-3.30	-51.48
CC1=NC(CCC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025009368	0	44	-1.0	-47.81	402.61	-0.40	-48.21
CC1=NN(C)C=C1CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009369	0	48	-1.0	-50.10	419.89	0.22	-49.88
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C2=CC=CC(F)=C2)CC1	REAL300025009370	0	46	-1.0	-46.53	409.81	2.23	-44.30
CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009371	0	42	-1.0	-46.02	368.25	0.30	-45.72
CC1=CC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=NC=C1C(N)=O	REAL300025009372	0	45	-1.0	-49.49	398.52	-3.86	-53.35
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2=NN=NN2CC1	REAL300025009373	0	47	-1.0	-58.93	399.53	-1.19	-60.12
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL300025009374	0	44	-1.0	-49.11	372.86	-1.46	-50.57
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CC(=O)N[C@H]1CC[C@H](C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025009524	0	52	-1.0	-55.01	436.04	-1.01	-56.02
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC(C(N)=O)=C1	REAL300025009529	1	40	-1.0	-52.58	370.66	-6.47	-59.05
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)N1CCC1	REAL300025009530	0	44	-1.0	-47.26	374.86	-3.18	-50.44
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025009530	1	45	0.0	-66.11	378.73	-0.11	-66.22
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](O)CC1=CNC=N1	REAL300025009532	0	43	-1.0	-52.92	384.71	-2.44	-55.36
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](O)CC1=CN=CN1	REAL300025009532	1	43	-1.0	-53.23	385.94	-2.71	-55.94
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CNN=C1	REAL300025009544	0	39	-1.0	-50.81	354.81	-2.45	-53.26
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)C=C1	REAL300025009569	0	38	-1.0	-51.23	351.27	-0.43	-51.66
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([N+](=O)[O-])O1	REAL300025009570	0	38	-1.0	-48.44	365.02	-0.93	-49.37
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CC1=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C=CC=C1[N+](=O)[O-]	REAL300025009572	0	44	-1.0	-50.75	388.66	1.57	-49.18
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC(=O)NC(=O)N1	REAL300025009574	0	42	-1.0	-57.45	384.40	-4.87	-62.32
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CCCC1	REAL300025009578	0	43	-1.0	-45.89	370.36	0.70	-45.19
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)OC1=CC=CC=C1	REAL300025009579	0	49	-1.0	-48.99	410.60	1.82	-47.17
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)N=N1	REAL300025009580	0	37	-1.0	-47.43	359.50	-2.05	-49.48
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC(O)CC1	REAL300025009581	0	48	-1.0	-49.46	401.90	-4.81	-54.27
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(O)CC1	REAL300025009581	1	49	0.0	-72.80	403.73	-2.66	-75.46
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300025009582	0	45	0.0	-66.63	379.94	0.21	-66.42
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CC1	REAL300025009582	1	45	0.0	-65.93	379.80	0.21	-65.72
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN(C)C1CC1	REAL300025009582	1	44	-1.0	-46.76	373.82	-2.19	-48.95
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)N1CCN(C)CC1	REAL300025009583	0	52	-1.0	-46.75	420.98	-3.72	-50.47
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025009583	1	53	0.0	-68.35	423.79	-1.36	-69.71
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CC(SC1=CC=CC=N1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009585	0	45	-1.0	-48.67	408.40	0.91	-47.76
CC1=CN=C(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025009586	0	41	-1.0	-50.59	381.66	-1.03	-51.62
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC(C2CCCO2)O1	REAL300025009587	0	51	-1.0	-49.51	428.62	-0.26	-49.77
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CO)COC1	REAL300025009588	0	41	-1.0	-49.54	358.72	-5.52	-55.06
CC(C)=CCCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009589	0	45	-1.0	-46.08	387.90	0.82	-45.26
CC=C(C=CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)CC	REAL300025009590	0	46	-1.0	-46.21	398.89	1.29	-44.92
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1COC1	REAL300025009591	0	37	-1.0	-47.38	332.30	-3.41	-50.79
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC1CCCC1	REAL300025009592	0	46	-1.0	-45.94	393.84	1.36	-44.58
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1(CO)CC1	REAL300025009601	0	43	-1.0	-46.52	376.50	-3.24	-49.76
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300025009606	0	45	0.0	-69.67	381.97	-0.37	-70.04
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300025009610	0	52	0.0	-66.62	418.46	1.43	-65.19
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C1CCCC1	REAL300025009610	1	52	0.0	-67.59	421.14	1.58	-66.01
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCN1C1CCCC1	REAL300025009610	1	51	-1.0	-47.43	419.19	-1.14	-48.57
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CO[C@H](C)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009615	0	39	-1.0	-48.92	347.46	-1.84	-50.76
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCN1C=O	REAL300025009616	0	43	-1.0	-53.90	377.38	-1.72	-55.62
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CC1=NN=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025009617	1	38	-1.0	-49.74	350.16	-2.34	-52.08
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025009618	0	51	0.0	-64.82	412.05	0.54	-64.28
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300025009618	1	51	0.0	-64.52	412.04	0.52	-64.00
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCN1C(C)(C)C	REAL300025009618	1	50	-1.0	-47.68	408.51	-2.29	-49.97
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CC1(F)F	REAL300025009619	0	42	-1.0	-49.53	380.10	0.57	-48.96
CC1=NN=C(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025009620	0	40	-1.0	-54.20	376.15	-2.16	-56.36
CC1=CN=NC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025009621	0	40	-1.0	-48.45	364.13	-1.80	-50.25
CSCC1(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025009622	0	46	-1.0	-45.45	408.63	1.27	-44.18
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1C[C@@H]1C(F)F	REAL300025009623	0	39	-1.0	-49.44	348.60	-0.21	-49.65
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC2=C(CCCC2)S1	REAL300025009624	0	45	-1.0	-46.27	402.21	0.11	-46.16
CCN1C(=O)NC=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009625	0	43	-1.0	-53.95	382.00	-1.97	-55.92
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)N1	REAL300025009626	0	36	-1.0	-53.04	338.09	-4.51	-57.55
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300025009626	1	35	-2.0	-88.32	335.96	-6.18	-94.50
CC=CC(O)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009627	0	40	-1.0	-46.32	360.66	-2.67	-48.99
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=CC=CNC2=N1	REAL300025009628	0	42	-1.0	-58.91	380.28	-0.31	-59.22
CCCC[C@H](C)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009629	0	47	-1.0	-45.88	395.62	0.95	-44.93
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300025009630	0	44	0.0	-67.25	368.63	-0.78	-68.03
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)N(C)C	REAL300025009630	1	43	-1.0	-46.39	362.61	-3.19	-49.58
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC2=CC(F)=CC=C21	REAL300025009631	0	41	-1.0	-46.05	381.98	-0.22	-46.27
CCC=C(F)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009632	0	39	-1.0	-44.63	353.79	-0.49	-45.12
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C2(CC2)C12CC2	REAL300025009633	0	44	-1.0	-46.19	390.40	1.81	-44.38
CCC=CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009634	0	39	-1.0	-46.20	349.61	-0.53	-46.73
CCC(F)(F)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009635	0	41	-1.0	-51.43	366.75	-0.25	-51.68
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2=CC=CC=C2CO1	REAL300025009636	0	47	-1.0	-49.82	407.35	1.58	-48.24
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(CN=[N+]=[N-])=C1	REAL300025009637	0	44	-1.0	-48.14	401.86	-2.33	-50.47
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC2=CC=C(F)C=C21	REAL300025009638	0	41	-1.0	-47.34	382.07	-0.24	-47.58
CC1=NOC=C1CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009639	0	41	-1.0	-51.98	371.77	-0.94	-52.92
CC1=NC2=C(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)C=NC=C2N1	REAL300025009640	0	44	-1.0	-55.97	392.55	-1.73	-57.70
CC1=NC2=CN=CC(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)=C2N1	REAL300025009640	1	44	-1.0	-50.09	391.27	-1.72	-51.81
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CSN=N1	REAL300025009641	0	37	-1.0	-53.79	352.56	-2.48	-56.27
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300025009642	0	41	-1.0	-50.99	383.05	1.15	-49.84
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C=CS(=O)(=O)C1	REAL300025009643	0	43	-1.0	-56.75	388.64	-3.51	-60.26
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC1=CC=CC=C1F	REAL300025009644	0	43	-1.0	-51.81	399.25	1.57	-50.24
C[C@@H](CNC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300025009645	0	35	0.0	-23.47	327.49	-5.58	-29.05
C[C@@H](CNC(=O)CSC1=NC(=O)[N-]N1)NC(=O)CN=[N+]=[N-]	REAL300025009645	1	34	-1.0	-54.26	324.08	-6.43	-60.69
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300025009925	0	48	0.0	-68.02	406.40	-0.12	-68.14
CC1=NN(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1C	REAL300025009926	0	48	-1.0	-53.83	416.56	0.11	-53.72
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC2=NNC=C21	REAL300025009927	0	41	-1.0	-53.77	370.62	-1.62	-55.39
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(Cl)N1	REAL300025009928	0	36	-1.0	-47.30	349.36	-2.31	-49.61
CCCC1=CC=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025009929	0	46	-1.0	-47.36	402.35	0.27	-47.09
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CCOC1=CC=CC=C1	REAL300025009930	0	47	-1.0	-49.18	418.08	1.30	-47.88
CCCCC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009931	0	56	0.0	-71.19	455.13	2.31	-68.88
CCCCC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009931	1	56	0.0	-71.09	455.12	2.30	-68.79
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C1=CC=NC=C1	REAL300025009932	0	47	-1.0	-48.72	401.29	0.24	-48.48
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2CCCC12	REAL300025009933	0	44	-1.0	-46.02	380.13	1.22	-44.80
CCC[N@@H+]1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015150	0	54	0.0	-63.98	422.38	1.62	-62.36
CCC[N@H+]1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015150	1	54	0.0	-63.73	422.38	1.62	-62.11
C[C@@H](CNC(=O)C1=CC=C(N)C=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015151	0	41	-1.0	-47.87	377.81	-1.23	-49.10
CC1=CC(F)=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025015152	0	44	-1.0	-46.69	384.45	-0.55	-47.24
CC(C)CCOCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015153	0	48	-1.0	-48.21	410.09	0.51	-47.70
CC1=C(Cl)C=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025015154	0	44	-1.0	-45.36	392.03	-0.20	-45.56
C[C@@H](CNC(=O)COCC1=CC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015155	0	43	-1.0	-52.29	390.19	-0.44	-52.73
CC(CO)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015156	0	39	-1.0	-46.47	345.08	-4.54	-51.01
C[C@@H](CNC(=O)C1=NC=C2C=CSC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015157	0	41	-1.0	-47.64	384.48	0.06	-47.58
CC1=CC=C(F)C(N)=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015158	0	44	-1.0	-46.87	392.39	-1.24	-48.11
CC[NH+]1CCN(CCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015159	0	56	0.0	-68.29	447.98	-0.69	-68.98
CCN1CC[NH+](CCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015159	1	56	0.0	-68.89	449.14	-0.54	-69.43
C[C@@H](CNC(=O)C1=CON=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015160	0	35	-1.0	-48.71	328.42	-2.16	-50.87
C[C@@H](CNC(=O)C1=CSC(N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015161	0	37	-1.0	-46.69	353.56	-3.51	-50.20
C[C@@H](CNC(=O)CN1CCN(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015162	0	49	-1.0	-46.72	406.65	-4.08	-50.80
C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015162	1	50	0.0	-68.61	409.55	-1.69	-70.30
C[C@@H](CNC(=O)C(F)(F)C1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015163	0	42	-1.0	-49.68	389.02	-1.03	-50.71
C[C@@H](CNC(=O)C1=CC(F)=CC(F)=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015164	0	41	-1.0	-45.39	372.00	-1.23	-46.62
C[C@@H](CNC(=O)CCCCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015165	0	42	-1.0	-47.64	369.36	-3.71	-51.35
CCOC(=O)C(F)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015166	0	41	-1.0	-51.12	376.94	-0.05	-51.17
C[C@@H](CNC(=O)C(=O)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015167	0	38	-1.0	-46.03	348.28	-1.18	-47.21
CC1=CN=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300025015168	0	41	-1.0	-47.81	377.04	-0.32	-48.13
C[C@@H](CNC(=O)C1=CC=C(N)C=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015169	0	43	-1.0	-53.80	389.55	-0.07	-53.87
CCCCCCCC(=O)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015170	0	52	-1.0	-45.66	445.49	1.94	-43.72
CCCC1=NN(C)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015171	0	48	-1.0	-46.89	415.50	0.24	-46.65
C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015172	0	38	-1.0	-55.05	347.38	-5.34	-60.39
C[C@@H](CNC(=O)C1=CN=CC(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015173	0	39	-1.0	-48.85	356.36	-4.25	-53.10
COC1=CC=C(N)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015174	0	45	-1.0	-47.28	389.59	-2.11	-49.39
C[C@@H](CNC(=O)CC1=CN=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015175	0	41	-1.0	-48.48	384.31	-0.29	-48.77
C[C@@H](CNC(=O)CC1(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015176	0	40	-1.0	-49.04	356.53	-3.86	-52.90
CCOC(=O)C(C)(C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015177	0	50	-1.0	-46.64	423.67	0.90	-45.74
C[C@@H](CNC(=O)CCCCC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015178	0	44	-1.0	-47.04	397.57	0.79	-46.25
C[C@@H](CNC(=O)CC1=CC=NNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015179	0	41	-1.0	-55.21	373.54	-3.40	-58.61
CNC1=CC=C(Cl)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015180	0	44	-1.0	-46.81	397.84	-0.31	-47.12
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C([N+](=O)[O-])O1	REAL300025015181	0	41	-1.0	-48.84	382.45	-0.18	-49.02
COC(=O)C1=CSC=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015182	0	42	-1.0	-53.04	389.93	0.81	-52.23
COC(=O)CC(C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015183	0	47	-1.0	-51.36	404.53	0.11	-51.25
CC1=CC(=O)N(CCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025015184	0	47	-1.0	-54.92	416.81	0.48	-54.44
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)SC(CO)=N1	REAL300025015185	0	42	-1.0	-48.59	387.87	-4.50	-53.09
C[C@@H](CNC(=O)C1=CC=CC(=S)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015186	0	39	-2.0	-114.71	371.98	0.89	-113.82
C[C@@H](CNC(=O)CC1=CC(Cl)=CC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015187	0	43	-1.0	-49.37	401.52	-1.22	-50.59
C[C@@H](CNC(=O)C1=C2OCC(C)C2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015188	0	47	-1.0	-50.35	405.85	1.76	-48.59
C[C@@H](CNC(=O)C1=CC=CC(C(N)=O)=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015189	0	45	-1.0	-50.84	391.05	-4.31	-55.15
CC1=CC=C(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=N1	REAL300025015190	0	44	-1.0	-51.02	405.50	0.23	-50.79
CNC1=NC=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025015191	0	45	-1.0	-47.56	389.76	-2.97	-50.53
C[C@@H](CNC(=O)COC1=CC=C(CO)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015192	0	47	-1.0	-51.96	416.69	-1.71	-53.67
C[C@@H](CNC(=O)C1=CC(C2CC2)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015193	0	45	-1.0	-46.99	397.01	0.77	-46.22
C[C@@H](CNC(=O)C1CCC1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015194	0	39	-1.0	-45.83	348.31	-0.53	-46.36
C[C@@H](CNC(=O)CCCCCC#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015195	0	45	-1.0	-52.04	400.29	0.93	-51.11
C[C@@H](CNC(=O)C1C(F)(F)C12CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015196	0	43	-1.0	-46.69	383.68	0.95	-45.74
C[C@@H](CNC(=O)C1=CC(C#N)=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015197	0	40	-1.0	-50.43	383.67	1.29	-49.14
CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015198	0	49	-1.0	-49.46	423.96	-5.23	-54.69
C[C@@H](CNC(=O)C1=CC2=C(CCCC2=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015199	0	46	-1.0	-53.45	403.69	-0.27	-53.72
C[C@@H](CNC(=O)C1=CC2=CC=CC=C2C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015200	0	47	-1.0	-46.66	407.73	2.84	-43.82
C[C@@H](CNC(=O)C1=CC=CC=C1OC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015201	0	47	-1.0	-50.12	408.71	2.61	-47.51
C[C@@H](CNC(=O)C1=NC(N)=NC(N(C)C)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015202	0	46	-1.0	-49.71	410.01	1.12	-48.59
C[C@@H](CNC(=O)C1=CC2=CC=NN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015203	0	42	-1.0	-49.81	377.81	0.16	-49.65
COC1=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(C)=N1	REAL300025015204	0	45	-1.0	-47.58	399.33	-2.27	-49.85
C[C@@H](CNC(=O)C(CO)C1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015205	0	46	-1.0	-48.28	408.05	-1.64	-49.92
C[C@@H](CNC(=O)C1=C(F)C=CC(F)=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015206	0	41	-1.0	-47.52	379.15	-1.73	-49.25
CCSC1=NC=CN=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015207	0	44	-1.0	-48.24	402.27	-1.07	-49.31
C[C@@H](CNC(=O)C1=NOC(C(F)(F)F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015208	0	38	-1.0	-45.43	370.30	-1.13	-46.56
C[C@@H](CNC(=O)C1=NN=C(C(C)(C)C)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015209	0	46	-1.0	-48.67	415.78	-1.03	-49.70
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1C=NC(C#N)=N1	REAL300025015210	0	42	-1.0	-53.34	389.84	-0.30	-53.64
C[C@@H](CNC(=O)CCCC1=CC=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015211	0	50	-1.0	-48.35	429.57	0.62	-47.73
CCOC(=O)NCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015212	0	43	-1.0	-48.88	386.31	-3.89	-52.77
C[C@@H](CNC(=O)C1CCC2(CCC2)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015213	0	47	-1.0	-48.94	399.12	0.67	-48.27
C[C@@H](CNC(=O)C[C@H]1CC2=CC=CC=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015214	0	48	-1.0	-47.01	412.40	0.41	-46.60
C[C@@H](CNC(=O)C1CC(N2C=CN=C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015215	0	46	-1.0	-51.22	400.43	1.39	-49.83
C[C@@H](CNC(=O)C(F)C1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015216	0	46	-1.0	-47.35	389.71	-1.04	-48.39
C[C@@H](CNC(=O)C1CCCC12CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015217	0	49	-1.0	-45.15	402.22	1.65	-43.50
C[C@@H](CNC(=O)C1=CC(F)=CC(C(N)=O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015218	0	43	-1.0	-52.15	391.24	-2.76	-54.91
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C(Cl)O1	REAL300025015219	0	38	-1.0	-45.89	366.00	-3.65	-49.54
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)SN=C1	REAL300025015220	0	38	-1.0	-46.70	355.38	-1.31	-48.01
C[C@@H](CNC(=O)C1=CC2CCCCCCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015221	0	53	-1.0	-45.34	424.13	2.68	-42.66
C[C@@H](CNC(=O)C1=CN=C2NC=CC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015222	0	41	-1.0	-50.39	373.65	-2.18	-52.57
C[C@@H](CNC(=O)[C@@H](O)CC1=CNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015223	0	43	-1.0	-51.90	385.80	-2.69	-54.59
C[C@@H](CNC(=O)[C@@H](O)CC1=CN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015223	1	43	-1.0	-51.80	385.63	-2.72	-54.52
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=CN1CC1CC1	REAL300025015224	0	50	-1.0	-47.71	428.40	2.88	-44.83
CCC1=C(C)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300025015225	0	44	-1.0	-47.81	389.65	-0.13	-47.94
C[C@@H](CNC(=O)CSC1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015226	0	43	-1.0	-51.35	398.67	-0.64	-51.99
CC(C)CC(F)(F)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015227	0	44	-1.0	-44.61	383.62	0.24	-44.37
C[C@@H](CNC(=O)C(F)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015228	0	42	-1.0	-46.27	367.00	0.13	-46.14
CC(OC(F)F)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015229	0	39	-1.0	-48.36	356.67	-1.57	-49.93
C[C@@H](CNC(=O)C1CC(C)(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015230	0	43	-1.0	-49.08	375.41	-1.00	-50.08
C[C@@H](CNC(=O)C1=CC2=CN=NN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015231	0	41	-1.0	-51.72	371.74	-1.05	-52.77
C[C@@H](CNC(=O)C1(C)CCCCNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015232	0	49	-1.0	-50.40	401.31	-2.40	-52.80
C[C@@H](CNC(=O)C1(C)CCOC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015233	0	49	-1.0	-45.79	401.19	-0.59	-46.38
C[C@@H](CNC(=O)C1CC2(CCCC2)CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015234	0	50	-1.0	-48.14	413.09	0.99	-47.15
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C[C@@H](CNC(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015329	0	49	0.0	-70.44	417.15	0.23	-70.21
C[C@@H](CNC(=O)C1=CC=C(CN(C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015329	1	48	-1.0	-46.43	414.47	-2.25	-48.68
C[C@@H](CNC(=O)C1=CON=C1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015330	0	47	-1.0	-47.69	399.45	0.23	-47.46
C[C@@H](CNC(=O)CC1(CO)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015331	0	49	-1.0	-45.46	402.64	-2.09	-47.55
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C[C@@H](CNC(=O)C1CCCC2=C1N(C)N=N2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015334	0	48	-1.0	-52.91	408.29	-1.22	-54.13
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C[C@@H](CNC(=O)C1=CC=C([O-])C(Cl)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015336	0	38	-2.0	-87.44	371.15	-2.93	-90.37
C[C@@H](CNC(=O)C1CCN2N=CN=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015337	0	45	-1.0	-51.36	390.61	0.37	-50.99
C[C@@H](CNC(=O)C1CC(=O)NC1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015338	0	46	-1.0	-50.05	393.42	-3.10	-53.15
C[C@@H](CNC(=O)[C@]12CCC[C@H]1CC(=O)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015339	0	48	-1.0	-47.42	402.66	0.65	-46.77
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C[C@@H](CNC(=O)C1CCC2(CC(=O)C2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015341	0	51	-1.0	-50.17	423.42	1.40	-48.77
C[C@@H](CNC(=O)C1=NNC(C(F)(F)F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015342	0	41	-1.0	-47.21	381.97	-2.91	-50.12
C[C@@H](CNC(=O)C1CC2=CC(N)=CC=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015343	0	47	-1.0	-48.92	408.61	-2.51	-51.43
C[C@@H](CNC(=O)C1=CC=C2OC(N)=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015344	0	43	-1.0	-51.47	387.26	-4.60	-56.07
C[C@@H](CNC(=O)CC1=CN=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015345	0	38	-1.0	-51.86	350.38	-4.08	-55.94
C[C@@H](CNC(=O)CC12CCC(CC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015346	0	49	-1.0	-45.37	398.50	1.64	-43.73
C[C@@H](CNC(=O)C[C@@H]1CC=CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015347	0	46	-1.0	-45.87	386.89	1.27	-44.60
CC(=CC1=CC=CS1)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015348	0	43	-1.0	-46.16	384.88	0.97	-45.19
COCCOCC=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015349	0	47	-1.0	-49.76	417.36	-2.04	-51.80
C[C@@H](CNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015350	0	46	0.0	-66.82	385.86	0.69	-66.13
C[C@@H](CNC(=O)CN1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015350	1	45	-1.0	-46.84	384.20	-1.74	-48.58
CCCC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=NN1CC	REAL300025015351	0	50	-1.0	-50.34	432.76	-0.42	-50.76
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)N1C=CC=N1	REAL300025015352	0	48	-1.0	-50.54	406.93	0.47	-50.07
C[C@@H](CNC(=O)C1=C2COCCC2=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015353	0	47	-1.0	-49.89	409.93	-1.97	-51.86
C[C@@H](CNC(=O)[C@H]1C[C@H](N2C=CN=N2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015354	0	45	-1.0	-52.22	392.51	-1.33	-53.55
C[C@@H](CNC(=O)C1=CC=C2NCC(C)C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015355	0	48	-1.0	-47.65	410.86	0.16	-47.49
C[C@@H](CNC(=O)[C@H]1CCCC[C@H]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015356	0	57	-1.0	-43.50	430.06	2.43	-41.07
C[C@@H](CNC(=O)CC1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015357	0	46	-1.0	-45.79	388.73	1.47	-44.32
C[C@@H](CNC(=O)C1=NOC(CF)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015358	0	38	-1.0	-49.01	357.56	-1.39	-50.40
C[C@@H](CNC(=O)C1=CC=CC=C1C(C)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015359	0	45	-1.0	-51.13	392.46	1.85	-49.28
C[C@@H](CNC(=O)C1=CN(C2CCOC2)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015360	0	47	-1.0	-50.40	410.93	-0.55	-50.95
C[C@@H](CNC(=O)C1=CN2N=NC=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015361	0	41	-1.0	-52.02	372.14	-1.11	-53.13
C[C@@H](CNC(=O)C1CCC(=C(F)F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015362	0	46	-1.0	-46.86	398.53	1.25	-45.61
C[C@@H](CNC(=O)C1CC2=NC=CN=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015363	0	44	-1.0	-52.41	386.42	-1.48	-53.89
C[C@@H](CNC(=O)C1CNC2=CC=NN2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015364	0	45	-1.0	-50.08	390.14	-2.04	-52.12
C[C@@H](CNC(=O)C12COC(C=CC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015365	0	45	-1.0	-46.57	381.99	-1.07	-47.64
C[C@@H](CNC(=O)CCCC(F)(F)CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015366	0	45	-1.0	-50.95	400.87	-2.74	-53.69
C[C@@H](CNC(=O)C(C1CC1)C1CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015367	0	50	-1.0	-46.57	416.62	1.63	-44.94
C[C@@H](CNC(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015368	0	52	0.0	-63.94	415.71	1.54	-62.40
C[C@@H](CNC(=O)CC1CCC(C)C(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015369	0	54	-1.0	-45.09	432.83	2.42	-42.67
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C[C@@H](CNC(=O)C1=C2N=CC=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015371	0	42	-1.0	-56.66	379.27	1.14	-55.52
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CC1=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C(F)C=C1N	REAL300025015373	0	44	-1.0	-49.40	387.51	-0.90	-50.30
C[C@@H](CNC(=O)CC1=COC(C(F)F)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015374	0	41	-1.0	-53.52	384.56	-3.13	-56.65
COC(=O)NCCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015375	0	43	-1.0	-52.49	386.58	-4.20	-56.69
C[C@@H](CNC(=O)C1=COCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015376	0	38	-1.0	-46.17	341.64	-2.08	-48.25
C[C@@H](CNC(=O)C(=O)C1=CC=C(Cl)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015377	0	41	-1.0	-45.32	387.59	0.73	-44.59
C[C@@H](CNC(=O)C1=CC=C2CCOC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015378	0	44	-1.0	-48.85	386.16	0.23	-48.62
CSC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300025015379	0	40	-1.0	-47.77	379.66	0.38	-47.39
C[C@@H](CNC(=O)C1=CNC2=CC(N)=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015380	0	45	-1.0	-51.32	397.73	-1.76	-53.08
C[C@@H](CNC(=O)CCC1=CSC(N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015381	0	43	-1.0	-47.97	395.95	-2.15	-50.12
C[C@@H](CNC(=O)C1=NC(Cl)=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015382	0	38	-1.0	-48.65	368.98	-0.82	-49.47
CC(CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(N)C=C1	REAL300025015383	0	50	-1.0	-46.69	424.86	0.17	-46.52
C[C@@H](CNC(=O)C1=CC2=NC=CC=C2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015384	0	43	-1.0	-51.21	386.65	-1.12	-52.33
C[C@@H](CNC(=O)C1=CN=C(Cl)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015385	0	35	-1.0	-45.48	354.56	-1.96	-47.44
C[C@@H](CNC(=O)C1CC2(C1)CCCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015386	0	52	-1.0	-45.12	421.35	2.28	-42.84
C[C@@H](CNC(=O)CCC(C)(C)O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015387	0	45	-1.0	-46.53	384.82	-3.16	-49.69
COCCC(C)(C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015388	0	51	-1.0	-45.71	416.04	-0.48	-46.19
COC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(O)C=C1	REAL300025015389	0	47	-1.0	-49.43	417.78	-1.62	-51.05
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C[C@@H](CNC(=O)C1CCC2(CCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015391	0	52	-1.0	-45.05	419.94	2.28	-42.77
CCOC1=CC=C(N)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015392	0	48	-1.0	-47.21	411.44	-1.17	-48.38
COC(OC)C1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025015393	0	47	-1.0	-49.10	416.32	-1.42	-50.52
C[C@@H](CNC(=O)C(CO)C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015394	0	48	-1.0	-44.84	389.02	-2.50	-47.34
C[C@@H](CNC(=O)C1=CC=CC(S(C)=O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015395	0	44	-1.0	-53.70	402.54	-1.04	-54.74
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C[C@@H](CNC(=O)C1=CC=C([O-])C=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015396	1	39	-2.0	-90.43	370.26	-1.17	-91.60
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C[C@@H](CNC(=O)C1=CC(C#N)=C(N)C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015398	0	42	-2.0	-93.56	389.32	-1.79	-95.35
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C[C@@H](CNC(=O)C1=CC(C#N)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015400	0	39	-1.0	-48.35	368.45	-0.94	-49.29
C[C@@H](CNC(=O)C1=CC(=O)NC(N(C)C)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015401	0	46	-1.0	-50.10	406.46	-0.38	-50.48
C[C@@H](CNC(=O)C1=CN=C(N(C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015402	0	43	-1.0	-47.31	387.51	-3.30	-50.61
COC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300025015403	0	49	-1.0	-44.26	395.89	-0.57	-44.83
C[C@@H](CNC(=O)C1(C2CCC(C)CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015404	0	55	-1.0	-45.52	439.82	3.09	-42.43
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C[C@@H](CNC(=O)C1=NOC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015407	0	41	-1.0	-49.70	375.66	-0.33	-50.03
CCOC(CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)OCC	REAL300025015408	0	49	-1.0	-47.59	417.99	-0.47	-48.06
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C[C@@H](CNC(=O)CN1N=CC(C#N)=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015411	0	42	-1.0	-53.68	391.05	-2.25	-55.93
C[C@@H](CNC(=O)C1=C(N)N(CCO)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015412	0	45	-1.0	-49.53	398.65	-5.35	-54.88
CC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025015413	0	40	-1.0	-46.96	359.37	-1.25	-48.21
C[C@@H](CNC(=O)C1(Br)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015414	0	36	-1.0	-44.93	345.21	-0.49	-45.42
C[C@@H](CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015415	0	48	0.0	-64.91	383.18	0.22	-64.69
C[C@@H](CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015415	1	48	0.0	-64.18	392.50	0.40	-63.78
C[C@@H](CNC(=O)C1CCCCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015415	1	47	-1.0	-45.71	389.52	-1.81	-47.52
C[C@@H](CNC(=O)CCOC1=CC=C(N)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015416	0	48	-1.0	-48.42	419.94	-1.43	-49.85
C[C@@H](CNC(=O)C1=CC=NN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015417	0	37	-1.0	-49.97	353.33	-2.00	-51.97
CCOC(=O)NCCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015418	0	46	-1.0	-52.28	408.44	-3.27	-55.55
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C[C@@H](CNC(=O)C1(O)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015420	0	46	-1.0	-46.11	383.22	-2.27	-48.38
C[C@@H](CNC(=O)C(=O)C=CC1=CC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015421	0	42	-1.0	-47.41	397.80	0.61	-46.80
C[C@@H](CNC(=O)C1=CC=C(O)C(N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015422	0	42	-1.0	-48.04	375.24	-4.46	-52.50
C[C@@H](CNC(=O)CNC1=NC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015423	0	42	-1.0	-49.77	379.50	-0.88	-50.65
C[C@@H](CNC(=O)CSCC1=CC=CN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015424	0	45	-1.0	-50.90	414.22	0.66	-50.24
C[C@@H](CNC(=O)C1=CN=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015425	0	38	-1.0	-47.77	358.06	-0.89	-48.66
C[C@@H](CNC(=O)CN1C=C([N+](=O)[O-])C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015426	0	41	-1.0	-55.20	385.35	-0.79	-55.99
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015427	0	57	0.0	-62.43	445.45	2.70	-59.73
CC(C)C[N@H+]1CCCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015427	1	57	0.0	-66.48	451.99	2.51	-63.97
C[C@@H](CNC(=O)C1=C(F)C=CC=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015428	0	41	-1.0	-53.57	385.16	1.20	-52.37
C[C@@H](CNC(=O)C1=CC=C(N)C(N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015429	0	43	-1.0	-48.16	377.05	-3.61	-51.77
C[C@@H](CNC(=O)CNS(C)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015430	0	40	-1.0	-55.84	371.44	-6.44	-62.28
C[C@@H](CNC(=O)C1=C(O)C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015431	0	40	-1.0	-50.77	371.07	-2.50	-53.27
C[C@@H](CNC(=O)C1=C([O-])C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015431	1	39	-2.0	-93.83	367.51	-1.73	-95.56
CC(C)CC(NC(N)=O)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015432	0	50	-1.0	-53.36	419.29	-3.10	-56.46
C[C@@H](CNC(=O)CC1CC(F)(F)C1(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015433	0	42	-1.0	-50.56	386.98	0.43	-50.13
C[C@@H](CNC(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015434	0	41	-2.0	-91.82	382.57	-4.63	-96.45
CC1=CC=C(NCCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025015435	0	50	-1.0	-47.83	431.38	0.67	-47.16
C[C@@H](CNC(=O)C1=CC=C(F)C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015436	0	39	-2.0	-94.82	362.01	0.00	-94.82
C[C@@H](CNC(=O)C1=CC=C(F)C=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015436	1	40	-1.0	-47.54	365.57	-1.01	-48.55
C[C@@H](CNC(=O)C1=CC=C(N)C=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015437	0	42	-1.0	-49.02	374.05	-3.20	-52.22
C[C@@H](CNC(=O)C1(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015438	0	37	-1.0	-46.17	333.78	-4.22	-50.39
C[C@@H](CNC(=O)C(=O)CC1=CC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015439	0	41	-1.0	-47.30	388.24	0.14	-47.16
COC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015440	0	43	-1.0	-52.71	385.19	-1.93	-54.64
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C[C@@H](CNC(=O)CSC1=NN=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015442	0	38	-1.0	-49.83	376.66	-2.18	-52.01
C[C@@H](CNC(=O)COC1=CC=CC=C1C#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015443	0	44	-1.0	-55.89	404.10	1.36	-54.53
C[C@@H](CNC(=O)CN(C)C1=NC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015444	0	45	-1.0	-52.08	400.03	1.47	-50.61
CC1=C(N)C=C(F)C=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015445	0	44	-1.0	-47.01	384.04	-0.88	-47.89
C[C@@H](CNC(=O)C(O)C1=CC=C(C#N)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015446	0	44	-1.0	-50.44	403.37	-0.47	-50.91
C[C@@H](CNC(=O)C1=CC=C(Cl)C(C#N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015447	0	40	-1.0	-48.68	386.54	1.19	-47.49
CNC1=C(F)C=CC=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015448	0	44	-1.0	-47.17	387.52	-0.42	-47.59
C[C@@H](CNC(=O)C1=CC=C([N+](=O)[O-])C(N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015449	0	42	-1.0	-46.82	386.30	-1.70	-48.52
C[C@@H](CNC(=O)C1=CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015450	0	37	-1.0	-46.35	335.42	-0.64	-46.99
C=CCC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300025015451	0	51	-1.0	-44.74	412.66	1.61	-43.13
C[C@@H](CNC(=O)C1=CC=CC2=C1C(=O)NC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015452	0	44	-1.0	-57.84	386.92	-0.62	-58.46
C[C@@H](CNC(=O)C1=CC(C(N)=O)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015453	0	39	-1.0	-48.78	367.83	-5.53	-54.31
CC1=CC=C(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1O	REAL300025015454	0	46	-1.0	-49.80	406.06	-1.03	-50.83
COC1=NOC(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015455	0	42	-1.0	-52.11	382.89	-3.33	-55.44
C[C@@H](CNC(=O)C(O)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015456	0	46	-1.0	-47.95	406.07	-0.22	-48.17
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C[C@@H](CNC(=O)C1CC2(CCC2)CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015458	0	47	-1.0	-48.11	397.71	0.40	-47.71
C[C@@H](CNC(=O)C1=CC(CC2CCC2)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015459	0	50	-1.0	-47.25	428.98	1.71	-45.54
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C[C@@H](CNC(=O)[C@H]1C[C@@](F)(CO)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015462	0	43	-1.0	-48.57	380.45	-3.29	-51.86
C[C@@H](CNC(=O)C1=NOC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015463	0	40	-1.0	-47.47	360.07	-2.31	-49.78
C[C@@H](CNC(=O)C1=C2C=CC=CC2=NS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015464	0	41	-1.0	-49.19	381.18	0.31	-48.88
CC(C)C1=NOC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015465	0	46	-1.0	-52.12	401.18	0.15	-51.97
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C[C@@H](CNC(=O)CC1CC2(CCC2)CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015468	0	50	-1.0	-48.09	418.42	0.88	-47.21
C[C@@H](CNC(=O)C[C@@H]1CC2=CC=CC=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015469	0	48	-1.0	-47.12	412.40	0.41	-46.71
C[C@@H](CNC(=O)C1=CC2CCCCCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015470	0	50	-1.0	-45.42	410.37	2.24	-43.18
C[C@@H](CNC(=O)C1=C2C(=O)NCCN2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015471	0	44	-1.0	-57.20	389.35	-2.89	-60.09
COC(=O)[C@@H]1C[C@@]1(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025015472	0	51	-1.0	-49.06	428.09	1.81	-47.25
C[C@@H](CNC(=O)C1CC2=CC=C(F)C=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015473	0	45	-1.0	-48.69	399.85	-0.32	-49.01
C[C@@H](CNC(=O)C1=NN=C2CCCCN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015474	0	45	-1.0	-51.96	389.64	0.36	-51.60
C[C@@H](CNC(=O)[C@@H]1CCCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015475	0	46	-1.0	-47.31	385.79	-1.59	-48.90
C[C@@H](CNC(=O)C1(C)C=CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015476	0	46	-1.0	-45.08	384.03	1.03	-44.05
C[C@@H](CNC(=O)C1=CNC2=NC=NN2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015477	0	42	-1.0	-50.82	374.40	0.93	-49.89
C[C@@H](CNC(=O)C1=CN=C2C(F)=CC=CN12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015478	0	42	-1.0	-53.04	382.20	0.77	-52.27
C[C@@H](CNC(=O)C1=NC2=NC=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015479	0	41	-1.0	-56.07	374.12	1.58	-54.49
C[C@@H](CNC(=O)CC1CC2(CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015480	0	46	-1.0	-45.98	395.22	1.53	-44.45
CCCN1C(=O)CCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015481	0	49	-1.0	-52.69	421.63	0.30	-52.39
CC1=CC=C(F)C([O-])=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015482	0	42	-2.0	-99.05	386.96	-1.18	-100.23
CC1=CC=C(F)C(O)=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015482	1	43	-1.0	-49.71	390.51	-1.96	-51.67
C[C@@H](CNC(=O)C1=CN=CC=C1C(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015483	0	41	-1.0	-51.86	371.06	-0.45	-52.31
C[C@@H](CNC(=O)C1(O)CCCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015484	0	52	-1.0	-45.90	413.85	-1.02	-46.92
C[C@@H](CNC(=O)CSC1CCCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015485	0	47	-1.0	-48.01	413.24	-0.20	-48.21
CC1=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CN1C	REAL300025015486	0	43	-1.0	-49.63	379.31	0.44	-49.19
C[C@@H](CNC(=O)CC12CC(C)(C1)OC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015487	0	47	-1.0	-48.47	397.57	-0.71	-49.18
C[C@@H](CNC(=O)C1(F)CC2(CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015488	0	46	-1.0	-44.90	396.92	1.25	-43.65
C[C@@H](CNC(=O)C1CCN2N=CC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015489	0	46	-1.0	-49.26	395.92	-0.33	-49.59
C[C@@H](CNC(=O)C1=NN2C(=C1)CCCC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015490	0	49	-1.0	-49.01	418.19	0.49	-48.52
C[C@@H](CNC(=O)CN1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015491	0	56	0.0	-69.18	443.87	-0.49	-69.67
C[C@@H](CNC(=O)C1=CC=C2SN=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015492	0	41	-1.0	-48.13	381.93	0.57	-47.56
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)NC2=C1CCCC2	REAL300025015493	0	50	-1.0	-46.67	418.68	1.27	-45.40
CCC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)NC(C)=N1	REAL300025015494	0	45	-1.0	-47.91	393.75	-0.89	-48.80
C[C@@H](CNC(=O)C1CC2(CC(O)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015495	0	47	-1.0	-47.28	401.87	-2.19	-49.47
C[C@@H](CNC(=O)C1=CC=C(CCF)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015496	0	45	-1.0	-47.01	399.81	1.96	-45.05
C[C@@H](CNC(=O)C12CC(CF)(C1)OC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015497	0	44	-1.0	-48.78	387.45	-1.34	-50.12
C[C@@H](CNC(=O)C1COC(=O)N1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015498	0	41	-1.0	-54.37	366.31	-2.68	-57.05
C[C@@H](CNC(=O)C1CCCCC12OCCO2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015499	0	51	-1.0	-46.63	414.31	0.59	-46.04
CCSC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015500	0	43	-1.0	-45.06	391.04	0.82	-44.24
CCN1C=CN=C1C=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015501	0	46	-1.0	-50.79	410.36	1.10	-49.69
CCC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1C=NC=N1	REAL300025015502	0	44	-1.0	-49.02	385.87	0.91	-48.11
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C(C(C)(C)C)N1	REAL300025015503	0	52	-1.0	-46.66	437.58	1.18	-45.48
C[C@@H](CNC(=O)CC1=NN=C(N)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015504	0	39	-1.0	-53.17	370.38	-3.69	-56.86
COC1=NC=C(C=CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025015505	0	45	-1.0	-50.78	406.78	-3.71	-54.49
CC(CF)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015506	0	38	-1.0	-45.36	340.29	-1.13	-46.49
C[C@@H](CNC(=O)C1(O)CCCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015507	0	52	-1.0	-46.08	415.30	-0.97	-47.05
CC(=CC1CCC(C)CC1)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015508	0	55	-1.0	-45.09	439.88	3.06	-42.03
CC(Cl)=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015509	0	36	-1.0	-46.83	340.84	-0.79	-47.62
C[C@@H](CNC(=O)C=CC1=CC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015510	0	40	-1.0	-46.40	375.12	0.66	-45.74
C[C@@H](CNC(=O)C1(N2CCOCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015511	0	49	-1.0	-46.21	407.52	-3.32	-49.53
C[C@@H](CNC(=O)C1(OC2=CC=CC=C2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015512	0	47	-1.0	-44.86	412.08	1.02	-43.84
C[C@@H](CNC(=O)C1=NOC(C2(C)CC2)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015513	0	45	-1.0	-47.14	401.60	0.47	-46.67
C[C@@H](CNC(=O)C1CNC(=O)N1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015514	0	42	-1.0	-54.48	370.54	-4.14	-58.62
C[C@@H](CNC(=O)C=CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015515	0	43	-1.0	-46.87	384.88	1.57	-45.30
CCC(F)(F)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015516	0	38	-1.0	-44.82	346.70	-1.01	-45.83
C[C@@H](CNC(=O)C1CCCCC1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015517	0	45	-1.0	-47.53	380.54	0.64	-46.89
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C[C@@H](CNC(=O)C1(C)CC1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015519	0	39	-1.0	-45.42	349.43	-0.46	-45.88
C[C@@H](CNC(=O)C1CCNC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015520	0	48	-1.0	-48.07	407.40	0.33	-47.74
CSCCCCCCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015521	0	51	-1.0	-47.08	445.68	2.44	-44.64
CCC(F)(F)C(C)(C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015522	0	47	-1.0	-49.72	396.32	0.64	-49.08
C[C@@H](CNC(=O)C1(C#N)CCCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015523	0	44	-1.0	-49.56	384.24	-1.72	-51.28
CC(=CC1=CC=NC=C1)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015524	0	45	-1.0	-47.82	392.40	0.38	-47.44
CC1=CC2=CC=C(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=C2C=C1	REAL300025015525	0	48	-1.0	-47.44	417.75	3.30	-44.14
COC1=CC=CC=C1C=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015526	0	47	-1.0	-49.34	413.23	0.94	-48.40
C[C@@H](CNC(=O)C=CC1=CC(F)=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015527	0	43	-1.0	-47.93	396.79	1.68	-46.25
C[C@@H](CNC(=O)C(C#N)=CC1=COC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015528	0	41	-1.0	-52.31	379.82	-0.20	-52.51
C[C@@H](CNC(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015529	0	50	-1.0	-46.55	405.47	-0.24	-46.79
C[C@@H](CNC(=O)CC1=C(Cl)C=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015530	0	42	-1.0	-50.40	392.60	-0.89	-51.29
CC1=CC2=C(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C2O1	REAL300025015531	0	45	-1.0	-49.66	397.37	1.53	-48.13
C[C@@H](CNC(=O)C=CC1=CSC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015532	0	39	-1.0	-48.70	371.28	-1.24	-49.94
C[C@@H](CNC(=O)C(C#N)=CC1=CC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015533	0	41	-1.0	-52.06	383.62	0.06	-52.00
C[C@@H](CNC(=O)[C@@H]1CCC(=O)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015534	0	39	-1.0	-53.36	353.27	-0.66	-54.02
C[C@@H](CNC(=O)C1CCNC2=C1N=NN2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015535	0	47	-1.0	-54.10	405.41	-2.76	-56.86
C[C@@H](CNC(=O)C[C@@H]1COC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015536	0	44	-1.0	-50.53	380.33	-5.22	-55.75
C[C@@H](CNC(=O)CSC1=CC=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015537	0	43	-1.0	-48.86	399.89	1.59	-47.27
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)SC(F)=C1	REAL300025015538	0	39	-1.0	-45.14	365.78	0.18	-44.96
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025015539	0	49	-1.0	-46.60	424.28	3.10	-43.50
C[C@@H](CNC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015540	0	43	-1.0	-46.73	379.93	0.81	-45.92
CCOC(=O)C1=CON=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015541	0	44	-1.0	-53.23	402.80	0.22	-53.01
C[C@@H](CNC(=O)C1=CC2(C1)CCOCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015542	0	48	-1.0	-46.61	409.88	-0.03	-46.64
C[C@@H](CNC(=O)C1=CN=C2OC=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015543	0	41	-1.0	-51.57	372.66	-2.33	-53.90
C[C@@H](CNC(=O)CCCC1CCCC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015544	0	52	-1.0	-52.50	435.83	-0.82	-53.32
CCOC(=O)C1=NNC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015545	0	45	-1.0	-49.93	410.91	-1.66	-51.59
C=CCC1=CC=CC=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015546	0	46	-1.0	-45.73	397.95	2.33	-43.40
COC1C[C@@H]2CC(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C[C@H]12	REAL300025015547	0	50	-1.0	-46.79	412.38	0.55	-46.24
C[C@@H](CNC(=O)C1C2CCOCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015548	0	44	-1.0	-46.33	378.81	-1.01	-47.34
CC1=CN(C(C)C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300025015549	0	45	-1.0	-50.78	395.56	-0.35	-51.13
CC(C)C(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1C=NN=C1	REAL300025015550	0	47	-1.0	-53.02	399.53	1.56	-51.46
C[C@@H](CNC(=O)CCC1=CC=C(F)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015551	0	44	-1.0	-49.95	397.62	0.04	-49.91
C[C@@H](CNC(=O)C1(C#N)CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015552	0	44	-1.0	-48.05	382.09	0.48	-47.57
C[C@@H](CNC(=O)C=CCF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015553	0	36	-1.0	-47.56	334.70	-1.20	-48.76
C[C@@H](CNC(=O)C1(CC(F)F)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015554	0	45	-1.0	-47.14	388.62	0.63	-46.51
C[C@@H](CNC(=O)C(F)CC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015555	0	42	-1.0	-46.36	374.30	0.43	-45.93
CCC(CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025015556	0	48	-1.0	-45.04	402.73	1.57	-43.47
CC1=C(O)C=C(N)C=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015557	0	45	-1.0	-47.54	390.96	-3.84	-51.38
CC1=C2N=C(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2N=C1	REAL300025015558	0	44	-1.0	-49.12	396.85	0.03	-49.09
CC(C)CCC(=O)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015559	0	46	-1.0	-45.71	398.57	0.11	-45.60
C[C@@H](CNC(=O)C1(C2=CC=CN=C2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015560	0	48	-1.0	-46.88	412.37	0.88	-46.00
C[C@@H](CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015561	0	46	0.0	-70.76	389.39	0.34	-70.42
C[C@@H](CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015561	1	46	0.0	-70.91	389.38	0.34	-70.57
C[C@@H](CNC(=O)C1=CC=NC2=C1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015562	0	45	-1.0	-47.75	388.20	0.46	-47.29
C[C@@H](CNC(=O)C=CCN1C=NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015563	0	42	-1.0	-53.66	385.26	1.12	-52.54
CC(C)C1CCC(C)CC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015564	0	57	-1.0	-44.81	441.45	2.41	-42.40
C[C@@H](CNC(=O)C=CC1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015565	0	52	-1.0	-45.34	423.83	2.39	-42.95
CSC1=CC=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025015566	0	42	-1.0	-46.21	391.04	-0.17	-46.38
C[C@@H](CNC(=O)CNC1=CC=[NH+]C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015567	0	44	0.0	-66.24	386.25	-1.93	-68.17
C[C@@H](CNC(=O)CC1SC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015568	0	39	-2.0	-86.48	374.57	-6.07	-92.55
C[C@@H](CNC(=O)C=CC1=CC=CC=C1C#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015569	0	44	-1.0	-51.92	403.70	1.79	-50.13
CC1=NN=C(CCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025015570	0	43	-1.0	-50.91	388.46	-5.20	-56.11
C[C@@H](CNC(=O)[C@@H]1C[C@H]1OC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015571	0	49	-1.0	-45.93	416.32	-0.08	-46.01
C[C@@H](CNC(=O)C1=NN(CCF)C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015572	0	44	-1.0	-49.16	401.23	-1.47	-50.63
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(N)=C1	REAL300025015573	0	47	-1.0	-47.65	405.99	-0.53	-48.18
CC1=C(C)NC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025015574	0	42	-1.0	-48.81	375.04	-1.76	-50.57
CC(=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)CN1CCOCC1	REAL300025015575	0	52	-1.0	-46.47	432.52	-2.19	-48.66
COC(=O)C1=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C(C)O1	REAL300025015576	0	45	-1.0	-49.24	408.32	-0.04	-49.28
C[C@@H](CNC(=O)C1=NC=C2C(F)=CC=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015577	0	42	-1.0	-50.08	384.09	0.96	-49.12
CCOC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025015578	0	46	-1.0	-44.84	391.53	-0.78	-45.62
CCOC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025015579	0	50	-1.0	-44.82	409.17	-1.89	-46.71
CC1=CC(N)=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300025015580	0	44	-1.0	-48.44	395.10	-1.15	-49.59
CC1=NSC(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015581	0	41	-1.0	-50.03	381.52	-0.50	-50.53
C[C@@H](CNC(=O)C1=C(C2CCC2)OC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015582	0	45	-1.0	-47.59	395.05	-2.09	-49.68
C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015583	0	38	-1.0	-54.89	347.33	-5.32	-60.21
COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015584	0	48	-1.0	-51.05	413.18	0.58	-50.47
CC(O)C1=CC=CC=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015585	0	46	-1.0	-46.69	394.37	-1.43	-48.12
CC(=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300025015586	0	43	-1.0	-46.72	384.42	0.45	-46.27
CC1=NN(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)O1	REAL300025015587	0	41	-1.0	-55.16	379.26	-4.09	-59.25
C[C@@H](CNC(=O)CCCCC#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015588	0	42	-1.0	-50.78	378.80	0.14	-50.64
C[C@@H](CNC(=O)C1=C2SC=CN2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015589	0	39	-1.0	-52.01	370.44	-0.89	-52.90
C[C@@H](CNC(=O)C1=CC(F)=CNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015590	0	39	-1.0	-52.22	358.91	-2.32	-54.54
C[C@@H](CNC(=O)C(O)C1=CC=CC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015591	0	43	-1.0	-47.86	399.29	-0.34	-48.20
CC1=NNC(=O)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015592	0	41	-1.0	-50.27	369.34	-3.19	-53.46
C[C@@H](CNC(=O)C1=C(C#N)N(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015593	0	40	-1.0	-50.22	373.72	-1.76	-51.98
C[C@@H](CNC(=O)C1=NC2=CC=CNC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015594	0	42	-1.0	-61.23	380.29	-1.46	-62.69
C[C@@H](CNC(=O)C1(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015595	0	40	-1.0	-48.79	359.14	-4.00	-52.79
CCC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300025015596	0	46	-1.0	-47.65	402.05	0.35	-47.30
C[C@@H](CNC(=O)C1=CC=C(CO)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015597	0	42	-1.0	-48.66	376.09	-3.95	-52.61
C[C@@H](CNC(=O)C1=CC=C([O-])C(F)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015598	0	39	-2.0	-92.67	368.38	-1.54	-94.21
CSC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C	REAL300025015599	0	43	-1.0	-49.23	396.24	-0.99	-50.22
CCC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300025015600	0	47	-1.0	-46.53	400.34	0.27	-46.26
C[C@@H](CNC(=O)C1=CC([N+](=O)[O-])=CNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015601	0	41	-1.0	-53.52	380.69	-1.74	-55.26
C[C@@H](CNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015601	1	40	-2.0	-80.94	377.31	-2.89	-83.83
C[C@@H](CNC(=O)[C@H](O)C1=CC=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015602	0	43	-1.0	-47.18	389.94	-0.27	-47.45
C[C@@H](CNC(=O)C1=CSC([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015603	0	38	-1.0	-49.51	371.66	0.13	-49.38
C[C@@H](CNC(=O)C1=CC=C2NC(=O)CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015604	0	44	-1.0	-49.64	392.30	-1.17	-50.81
C[C@@H](CNC(=O)C1=CC([N+](=O)[O-])=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015605	0	39	-1.0	-51.82	367.63	-1.08	-52.90
CC1=CC(C)=C(N)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015606	0	47	-1.0	-45.48	400.54	0.02	-45.46
C[C@@H](CNC(=O)C1=CC=CC(Cl)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015607	0	39	-2.0	-95.06	371.64	0.46	-94.60
C[C@@H](CNC(=O)CCSC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015608	0	46	-1.0	-47.39	415.15	2.33	-45.06
C[C@@H](CNC(=O)C1=CC=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015609	0	35	-1.0	-47.39	329.05	-2.19	-49.58
C[C@@H](CNC(=O)C1=CC=C([N+](=O)[O-])C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015610	0	41	-1.0	-49.53	383.05	1.13	-48.40
C[C@@H](CNC(=O)[C@@H]1CC2=CC=CC=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015611	0	45	-1.0	-48.23	393.44	-0.41	-48.64
CNC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=NS1	REAL300025015612	0	43	-1.0	-48.26	395.77	-2.56	-50.82
C[C@@H](CNC(=O)C1=CC=C(N)C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015613	0	41	-1.0	-47.71	370.73	-1.65	-49.36
C[C@@H](CNC(=O)C(=O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015614	0	41	-1.0	-46.97	370.87	0.21	-46.76
C[C@@H](CNC(=O)C1=CC=CC(Cl)=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015615	0	41	-1.0	-45.24	375.44	-0.83	-46.07
CSC1=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1N	REAL300025015616	0	45	-1.0	-47.40	402.91	-0.67	-48.07
C[C@@H](CNC(=O)C1=CC=C(F)C=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015617	0	41	-1.0	-45.49	367.04	-1.34	-46.83
CC1=NSC(N)=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015618	0	40	-1.0	-48.29	373.88	-3.58	-51.87
C[C@@H](CNC(=O)C1CNC2=CC=CC=C2O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015619	0	46	-1.0	-50.42	402.31	-0.53	-50.95
C[C@@H](CNC(=O)CC1C=CS(=O)(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015620	0	43	-1.0	-55.52	388.64	-3.53	-59.05
CC(=O)C1=CC=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015621	0	44	-1.0	-53.22	391.58	0.79	-52.43
C[C@@H](CNC(=O)CSC1=CC=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015622	0	43	-1.0	-50.54	399.25	1.57	-48.97
CC(=O)C1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025015623	0	44	-1.0	-49.56	390.84	0.78	-48.78
COC1=CC=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025015624	0	45	-1.0	-46.72	389.26	-2.02	-48.74
C[C@@H](CNC(=O)C1=C(O)C=CC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015625	0	41	-1.0	-50.29	375.52	-5.35	-55.64
C[C@@H](CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300025015626	0	35	0.0	-23.11	327.50	-5.60	-28.71
C[C@@H](CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300025015626	1	34	-1.0	-53.08	324.08	-6.44	-59.52
CC1=C(N)C=CC=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015627	0	44	-1.0	-46.61	377.64	-0.95	-47.56
C[C@@H](CNC(=O)C1CCC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015628	0	40	-1.0	-53.19	357.23	-4.02	-57.21
CC1=NN(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1[N+](=O)[O-]	REAL300025015629	0	44	-1.0	-55.08	403.28	-0.32	-55.40
C[C@@H](CNC(=O)C1=CC(N(C)C)=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015630	0	49	-1.0	-45.70	411.62	-0.98	-46.68
C[C@@H](CNC(=O)C1=CCCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015631	0	41	-1.0	-46.90	365.96	0.39	-46.51
CC1=NC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025015632	0	41	-1.0	-51.95	369.20	-2.64	-54.59
C[C@@H](CNC(=O)[C@H](C)O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015633	0	36	-1.0	-46.83	325.74	-4.05	-50.88
CC1=C(C)SC(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025015634	0	44	-1.0	-50.27	400.43	-0.52	-50.79
CC[NH+]1CCN(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015635	0	53	0.0	-67.38	427.29	-1.01	-68.39
CCN1CCN(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015635	1	52	-1.0	-46.54	423.59	-3.41	-49.95
C[C@@H](CNC(=O)[C@@](C)(O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015636	0	46	-1.0	-46.82	397.87	-1.40	-48.22
C[C@@H](CNC(=O)C1(O)CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015637	0	44	-1.0	-47.35	374.55	-4.70	-52.05
C[C@@H](CNC(=O)C=C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015638	0	50	0.0	-66.52	406.95	1.21	-65.31
CCCC(CCC)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015639	0	53	-1.0	-45.04	428.49	2.16	-42.88
COC(=O)C1=NOC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015640	0	41	-1.0	-48.41	386.15	-1.60	-50.01
C[C@@H](CNC(=O)C1=CC=C(F)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015641	0	36	-1.0	-45.97	340.99	-1.50	-47.47
CCCC(=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)CCC	REAL300025015642	0	51	-1.0	-44.46	427.70	2.42	-42.04
CC1=CC(=O)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025015643	0	40	-2.0	-90.16	369.50	-1.43	-91.59
C[C@@H](CNC(=O)C=C1CCSCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015644	0	44	-1.0	-45.72	385.81	0.80	-44.92
CON=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015645	0	36	-1.0	-48.98	337.41	-3.35	-52.33
C#CCC(C)(C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015646	0	43	-1.0	-45.62	376.84	0.38	-45.24
C[C@@H](CNC(=O)C1=CC([N+](=O)[O-])=CN=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015647	0	42	-1.0	-48.94	384.04	-1.63	-50.57
C[C@@H](CNC(=O)C=C([O-])C1=CC=C(O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015648	0	44	-2.0	-99.24	399.29	-1.57	-100.81
CCSC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025015649	0	46	-1.0	-46.11	411.84	2.23	-43.88
C[C@@H](CNC(=O)C[C@@H](O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015650	0	46	-1.0	-48.89	403.24	-0.41	-49.30
C[C@@H](CNC(=O)C1=CN=C(N)C([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015651	0	42	-1.0	-48.94	385.91	-1.80	-50.74
C[C@@H](CNC(=O)C1=CN=C(Cl)C(N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015652	0	40	-1.0	-48.23	374.95	-3.03	-51.26
CC1=NC=NC(C)=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015653	0	43	-1.0	-48.02	383.58	-0.73	-48.75
C[C@@H](CNC(=O)C1=CC=C(F)C(C#N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015654	0	40	-1.0	-49.32	377.04	0.81	-48.51
C[C@@H](CNC(=O)CC(C)(C)N=[N+]=[N-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015655	0	43	-1.0	-44.80	375.70	-3.95	-48.75
COC(=O)C1=CN=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025015656	0	43	-1.0	-47.62	398.16	-2.58	-50.20
COC(=O)CC(C)(C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015657	0	50	-1.0	-49.87	414.31	0.49	-49.38
C[C@@H](CNC(=O)C1CC(C)(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015658	0	42	-1.0	-47.59	367.94	0.01	-47.58
C[C@@H](CNC(=O)C1=C(N)C=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015659	0	41	-1.0	-48.98	370.96	-4.08	-53.06
CCSC1=CC=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015660	0	46	-1.0	-47.70	411.98	2.24	-45.46
CCC(C)(OC)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015661	0	45	-1.0	-44.77	377.26	-1.46	-46.23
C[C@@H](CNC(=O)C1=C(N)C=C(F)C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015662	0	41	-1.0	-47.46	380.11	-1.76	-49.22
C[C@@H](CNC(=O)C(=O)CCC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015663	0	49	-1.0	-45.60	414.73	0.51	-45.09
C[C@@H](CNC(=O)C1=CC=C(F)C(CO)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015664	0	43	-1.0	-48.61	386.83	-2.08	-50.69
CCOC(=O)C1=NOC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015665	0	44	-1.0	-48.28	408.01	-0.68	-48.96
CCCC(CCCO)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015666	0	51	-1.0	-46.80	423.49	-1.97	-48.77
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1=CC=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015667	0	46	-1.0	-47.65	409.28	2.49	-45.16
COC(=O)[C@H]1CC[C@H](C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015668	0	51	-1.0	-48.57	430.78	1.27	-47.30
CC(O)C1=NC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025015669	0	42	-1.0	-47.93	390.91	-4.29	-52.22
C[C@@H](CNC(=O)CC1CCCNC(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015670	0	49	-1.0	-55.58	407.17	-2.08	-57.66
CC(C)[C@H](O)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015671	0	42	-1.0	-46.01	362.54	-2.49	-48.50
CSC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025015672	0	43	-1.0	-44.94	383.37	0.43	-44.51
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(O)=C1	REAL300025015673	0	46	-1.0	-48.46	401.93	-1.26	-49.72
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=N1	REAL300025015674	0	44	-1.0	-49.57	385.71	-0.32	-49.89
CC(=O)C1=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C	REAL300025015675	0	47	-1.0	-47.91	406.87	1.46	-46.45
C[C@@H](CNC(=O)C(O)C1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015676	0	42	-1.0	-47.16	380.47	-2.87	-50.03
C[C@@H](CNC(=O)C(C)(O)C1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015677	0	45	-1.0	-48.96	395.74	-2.76	-51.72
C[C@@H](CNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015678	0	39	-2.0	-112.15	360.86	-0.14	-112.29
C[C@@H](CNC(=O)C(C)(C)C1=CC=C(O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015679	0	49	-1.0	-48.49	416.98	-0.87	-49.36
C[C@@H](CNC(=O)CC1=CC=C(O)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015680	0	42	-1.0	-52.04	379.44	-3.42	-55.46
C[C@@H](CNC(=O)CCCCCN1C=NN=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015681	0	49	-1.0	-56.86	430.38	0.60	-56.26
CNC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1N	REAL300025015682	0	46	-1.0	-48.04	396.92	-2.67	-50.71
C[C@@H](CNC(=O)C1=CC=NC(N)=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015683	0	42	-1.0	-52.81	386.95	-0.94	-53.75
COC1=CC=CN=C1C(C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015684	0	48	-1.0	-50.48	416.04	-0.60	-51.08
C[C@@H](CNC(=O)C1=CC=C2C(=C1)C=CN2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015685	0	46	-1.0	-49.65	403.96	2.14	-47.51
C[C@@H](CNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015686	0	51	0.0	-66.37	402.89	1.27	-65.10
C[C@@H](CNC(=O)C1=CC=NN1CCF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015687	0	42	-1.0	-46.88	379.02	-0.90	-47.78
CC1=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(C)=C1C#N	REAL300025015688	0	46	-1.0	-47.61	409.38	1.77	-45.84
C[C@@H](CNC(=O)C1=C(C#N)SC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015689	0	37	-1.0	-50.98	359.93	-0.27	-51.25
C[C@@H](CNC(=O)C1=CN=C(F)C(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015690	0	38	-1.0	-47.19	367.94	-0.96	-48.15
C[C@@H](CNC(=O)CC1=CC(C#N)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015691	0	42	-1.0	-51.41	389.29	-0.17	-51.58
C[C@@H](CNC(=O)CC=C(Cl)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015692	0	36	-1.0	-45.94	358.40	-0.28	-46.22
C[C@@H](CNC(=O)C=CC(=O)N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015693	0	43	-1.0	-50.58	383.79	-1.85	-52.43
CC1=CC(C#N)=CC(C)=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015694	0	46	-1.0	-48.46	413.82	1.66	-46.80
C#CC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015695	0	38	-1.0	-45.19	351.16	-0.08	-45.27
C[C@@H](CNC(=O)C1=CC=NC(CO)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015696	0	42	-1.0	-49.71	376.31	-3.94	-53.65
COC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(OC)=N1	REAL300025015697	0	46	-1.0	-49.39	407.46	-2.86	-52.25
C[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015698	0	52	0.0	-65.36	421.31	-1.81	-67.17
C[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015698	1	52	0.0	-65.80	421.53	-2.00	-67.80
C[C@@H](CNC(=O)CN(C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015698	1	51	-1.0	-47.37	420.03	-3.99	-51.36
C[C@@H](CNC(=O)C1(F)C(F)(F)C1(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015699	0	36	-1.0	-44.66	355.80	-0.75	-45.41
C[C@@H](CNC(=O)C1=CN=C(C(C)(C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015700	0	47	-1.0	-49.81	411.78	-2.04	-51.85
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C[C@@H](CNC(=O)C1=NN(C)C2=C1COCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015795	0	47	-1.0	-50.54	407.53	-1.87	-52.41
CC1=CC=CN=C1C=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015796	0	45	-1.0	-48.67	399.89	0.58	-48.09
CCC(CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025015797	0	51	-1.0	-44.99	414.85	1.95	-43.04
COCC1=CC(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300025015798	0	45	-1.0	-52.97	404.80	-1.68	-54.65
CC1=NC(CO)=NC=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015799	0	44	-1.0	-49.91	390.03	-4.42	-54.33
C[C@@H](CNC(=O)C1(C)CC(C2CC2)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015800	0	47	-1.0	-48.94	410.86	-0.06	-49.00
CC(C)C1=CC=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300025015801	0	48	-1.0	-49.23	413.69	2.33	-46.90
C[C@@H](CNC(=O)C1=CC(C(C)(C)C)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015802	0	50	-1.0	-46.75	424.36	1.01	-45.74
C[C@@H](CNC(=O)CSCCC#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015803	0	40	-1.0	-51.25	380.33	-0.07	-51.32
COC1C[N@@H+]2CCCC2(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015804	0	53	0.0	-63.86	428.44	-0.24	-64.10
COC1C[N@H+]2CCCC2(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015804	1	53	0.0	-63.86	428.44	-0.24	-64.10
C[C@@H](CNC(=O)C=CC1=NC=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015805	0	40	-1.0	-50.63	367.28	-1.48	-52.11
CC(=CC1=CC=C(F)C=C1)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015806	0	46	-1.0	-46.70	403.93	2.22	-44.48
C[C@@H](CNC(=O)C1=CC=CC2=CN=NN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015807	0	41	-1.0	-55.35	369.67	-0.92	-56.27
CC(=O)NC1(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015808	0	46	-1.0	-49.15	405.71	-1.93	-51.08
CNC(=O)N[C@@H](C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015809	0	44	-1.0	-50.68	388.04	-4.73	-55.41
C[C@@H](CNC(=O)C1CC(C2CC2)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015810	0	44	-1.0	-51.95	391.60	0.35	-51.60
C[C@@H](CNC(=O)C12CCC(F)(CC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015811	0	46	-1.0	-46.44	390.15	0.92	-45.52
CNC1=CN=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015812	0	43	-1.0	-48.38	380.42	-2.61	-50.99
C[C@@H](CNC(=O)C1CC(C2CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015813	0	49	-1.0	-45.37	409.96	2.02	-43.35
C[C@@H](CNC(=O)CCC1=CC=C(N)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015814	0	46	-1.0	-48.95	406.37	-1.17	-50.12
C[C@@H](CNC(=O)C1=CN=C2OCCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015815	0	46	-1.0	-50.83	399.09	-2.10	-52.93
C[C@@H](CNC(=O)C1=C(N)N(C2CC2)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015816	0	45	-1.0	-49.53	396.99	-1.21	-50.74
C[C@@H](CNC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015817	0	41	-2.0	-88.49	385.50	-3.84	-92.33
CCC(CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)OC	REAL300025015818	0	45	-1.0	-46.62	383.65	-0.67	-47.29
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1CCC1	REAL300025015819	0	49	-1.0	-49.14	418.99	0.83	-48.31
C[C@@H](CNC(=O)CC1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015820	0	45	-1.0	-52.70	401.51	2.47	-50.23
C[C@@H](CNC(=O)CC1=CC2=CN=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015820	1	45	-1.0	-52.70	401.51	2.47	-50.23
COCC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC=CCC1	REAL300025015821	0	50	-1.0	-47.15	416.51	0.01	-47.14
CC(=O)CC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025015822	0	50	-1.0	-51.29	414.74	1.90	-49.39
C[C@@H](CNC(=O)C1(C(=O)NC2CC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015823	0	50	-1.0	-46.93	418.89	-0.61	-47.54
C[C@@H](CNC(=O)C(C)(C)N1C=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015824	0	45	-1.0	-51.70	389.60	-0.28	-51.98
COC(=O)N[C@H](C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025015825	0	49	-1.0	-47.84	416.60	-2.54	-50.38
COC(=O)NC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025015826	0	49	-1.0	-47.76	416.61	-2.49	-50.25
C[C@@H](CNC(=O)CSCC1CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015827	0	47	-1.0	-50.07	416.31	-0.22	-50.29
C[C@@H](CNC(=O)C1=CC=C(N)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015828	0	40	-1.0	-48.37	362.56	-3.45	-51.82
C[C@@H](CNC(=O)C1=CC=C([N+](=O)[O-])C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015829	0	40	-1.0	-47.40	375.91	-0.67	-48.07
CCC(=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300025015830	0	49	-1.0	-45.39	423.44	3.11	-42.28
CCSC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025015831	0	48	-1.0	-45.59	415.34	1.17	-44.42
COC(=O)N1CCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015832	0	47	-1.0	-53.43	409.39	-1.28	-54.71
CC1=CC(C)=C(O)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015833	0	46	-1.0	-47.64	400.64	0.30	-47.34
CCSC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025015834	0	45	-1.0	-46.71	409.53	0.69	-46.02
CCCC(NC(N)=O)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015835	0	47	-1.0	-53.84	402.09	-3.63	-57.47
COC1=CC=C(C)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025015836	0	48	-1.0	-47.74	415.26	-1.92	-49.66
C[C@@H](CNC(=O)C1=CSC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015837	0	35	-1.0	-47.54	337.58	-2.61	-50.15
CCCCC1=CSC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025015838	0	47	-1.0	-48.75	423.54	0.38	-48.37
C[C@@H](CNC(=O)C1=CC=C(Cl)N=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015839	0	40	-1.0	-46.39	372.57	-1.85	-48.24
CC(C1=CC=CC=C1)C(O)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015840	0	49	-1.0	-47.14	418.64	0.63	-46.51
CCC(NC1=CC=CC=C1)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015841	0	50	-1.0	-45.94	416.86	0.44	-45.50
C[C@@H](CNC(=O)CNC1=NC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015842	0	40	-1.0	-47.27	374.66	-2.32	-49.59
CNC(=O)NC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025015843	0	51	-1.0	-49.63	426.16	-3.06	-52.69
CC1=CC([N+](=O)[O-])=CC=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015844	0	44	-1.0	-47.94	394.57	1.72	-46.22
C[C@@H](CNC(=O)C1=CC=NC(F)=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015845	0	40	-1.0	-47.47	361.44	-3.21	-50.68
CC1=CN=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300025015846	0	44	-1.0	-47.40	386.29	-0.13	-47.53
C[C@@H](CNC(=O)C1NC(=O)OC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015847	0	41	-1.0	-53.94	368.33	-4.61	-58.55
C[C@@H](CNC(=O)CN1CCOC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015848	0	41	-1.0	-56.55	370.20	-2.12	-58.67
CC=C(CC)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015849	0	42	-1.0	-45.61	364.29	0.07	-45.54
C[C@@H](CNC(=O)C12CCCC1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015850	0	49	-1.0	-44.73	395.60	1.55	-43.18
CC1=C(F)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300025015851	0	39	-1.0	-48.57	360.02	-2.50	-51.07
CC1=NNC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300025015851	1	39	-1.0	-48.57	360.02	-2.50	-51.07
C[C@@H](CNC(=O)C(F)(F)C1=CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015852	0	44	-1.0	-46.39	390.58	-1.05	-47.44
C[C@@H](CNC(=O)CC12CC(C1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015853	0	43	-1.0	-46.15	369.18	0.80	-45.35
C[C@@H](CNC(=O)C1CC1(C)Br)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015854	0	39	-1.0	-44.79	363.23	0.17	-44.62
C[C@@H](CNC(=O)C1=CNC=C(F)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015855	0	39	-1.0	-62.60	359.57	-1.58	-64.18
CC1=CC=CN2N=C(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=C12	REAL300025015856	0	45	-1.0	-51.00	402.60	0.69	-50.31
C#CCC(CC#C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015857	0	42	-1.0	-44.75	378.57	1.29	-43.46
C[C@@H](CNC(=O)C(F)(F)C1=CN=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015858	0	40	-1.0	-49.09	373.16	-1.82	-50.91
C[C@@H](CNC(=O)C1=C(F)C=CC(O)=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015859	0	40	-2.0	-94.44	378.25	-3.67	-98.11
C[C@@H](CNC(=O)C1=C(F)C=CC(O)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015859	1	40	-2.0	-94.44	378.25	-3.67	-98.11
C[C@@H](CNC(=O)C1=CC=C(C#N)C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015860	0	41	-1.0	-49.79	379.96	-0.67	-50.46
C[C@@H](CNC(=O)C1=CC=C(C#N)C=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015860	1	41	-1.0	-49.79	379.96	-0.67	-50.46
CCC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)O	REAL300025015861	0	45	-1.0	-45.63	378.09	-3.27	-48.90
COC1=CC=NC(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015862	0	45	-1.0	-51.09	398.14	-1.25	-52.34
COC(=O)CC(C)(C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015863	0	47	-1.0	-46.58	399.55	-0.19	-46.77
CC(CS(C)=O)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015864	0	43	-1.0	-55.16	386.61	-2.75	-57.91
CC1=NC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1C#N	REAL300025015865	0	42	-1.0	-48.04	385.52	-0.52	-48.56
C[C@@H](CNC(=O)C1=CC(O)=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015866	0	40	-1.0	-48.09	373.88	-1.96	-50.05
COC(F)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015867	0	36	-1.0	-48.74	333.57	-3.08	-51.82
C[C@@H](CNC(=O)C1=CC=C(C(C)(C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015868	0	50	-1.0	-47.75	424.54	1.20	-46.55
C[C@@H](CNC(=O)C1=CC(C#N)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015869	0	40	-2.0	-91.72	376.44	0.35	-91.37
C[C@@H](CNC(=O)C1=CC=C2NC(N)=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015870	0	45	0.0	-65.90	394.68	0.06	-65.84
C[C@@H](CNC(=O)C1=CC=C2NC(N)=[NH+]C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015870	1	45	0.0	-65.90	394.68	0.06	-65.84
C[C@@H](CNC(=O)C(C#N)=CC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015872	0	41	-1.0	-48.59	377.35	0.48	-48.11
COC1=CC=CC(O)=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015873	0	44	-1.0	-51.64	393.99	-3.21	-54.85
CCC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)ON=C1	REAL300025015874	0	41	-1.0	-46.95	369.33	-0.74	-47.69
C[C@@H](CNC(=O)C1CN(CC(F)F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015875	0	44	-1.0	-48.29	389.70	-3.05	-51.34
C[C@@H](CNC(=O)CS(N)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015876	0	37	-1.0	-58.21	350.15	-7.72	-65.93
C[C@@H](CNC(=O)CCS(N)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015877	0	40	-1.0	-54.93	371.67	-6.91	-61.84
C[C@@H](CNC(=O)C(=O)C1=CC=C(F)C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015878	0	41	-1.0	-46.05	383.55	0.33	-45.72
COC1=CC=C(C(C)C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025015879	0	49	-1.0	-48.04	420.38	0.90	-47.14
C[C@@H](CNC(=O)C1=CC=C(C#N)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015880	0	39	-1.0	-48.16	368.40	-0.94	-49.10
COC(=O)NCCCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015881	0	46	-1.0	-50.88	408.08	-3.38	-54.26
CC1=CC=C(N)C=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015882	0	44	-1.0	-45.99	381.48	-1.07	-47.06
COC(=O)NC(C)(C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015883	0	46	-1.0	-47.19	396.30	-3.40	-50.59
CC(C)NC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025015884	0	49	-1.0	-48.06	420.55	-0.26	-48.32
COC1=CC=CC(C(O)C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015885	0	47	-1.0	-46.83	412.56	-1.59	-48.42
CC(C)C1=CC=C(O)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015886	0	49	-1.0	-47.38	419.31	0.84	-46.54
C[C@@H](CNC(=O)C1=CC(N)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015887	0	40	-1.0	-48.08	362.67	-3.44	-51.52
C[C@@H](CNC(=O)C1(C#N)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015888	0	40	-1.0	-47.79	360.57	-0.48	-48.27
COC1=CC(C)=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300025015889	0	47	-1.0	-49.54	409.76	-0.65	-50.19
C[C@@H](CNC(=O)C1=C(C#N)C=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015890	0	37	-1.0	-50.55	360.93	-0.32	-50.87
CSC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025015891	0	40	-1.0	-45.17	377.82	-0.43	-45.60
CC(=O)C1=CSC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015892	0	41	-1.0	-51.96	385.07	-0.18	-52.14
C[C@@H](CNC(=O)C=C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015893	0	43	-1.0	-45.66	370.37	0.69	-44.97
COC(=O)C1=CN=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015894	0	44	-1.0	-49.96	400.27	-0.74	-50.70
C[C@@H](CNC(=O)CC(C)(C)C#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015895	0	42	-1.0	-47.28	367.43	-0.43	-47.71
CC1=CN=C(Cl)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015896	0	41	-1.0	-48.06	379.45	-0.31	-48.37
CSC(C)CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015897	0	45	-1.0	-46.40	397.42	0.62	-45.78
C[C@@H](CNC(=O)CC(=O)NC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015898	0	43	-1.0	-54.99	382.63	-1.17	-56.16
C[C@@H](CNC(=O)CC(C)(O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015899	0	49	-1.0	-46.55	415.21	0.12	-46.43
CC(=O)OCC(C)(C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015900	0	50	-1.0	-49.13	423.07	0.94	-48.19
COCC(O)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015901	0	40	-1.0	-47.64	359.10	-4.74	-52.38
C[C@@H](CNC(=O)C(C)(C)CCCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015902	0	48	-1.0	-46.86	400.52	-2.76	-49.62
C[C@@H](CNC(=O)C1=C2N=NN(C)C2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015903	0	44	-1.0	-57.76	393.12	-0.99	-58.75
CCCC1=NSC(N)=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015904	0	46	-1.0	-48.04	416.87	-2.07	-50.11
C[C@@H](CNC(=O)C1=C(C#N)C=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015905	0	40	-1.0	-50.92	377.44	-1.73	-52.65
C[C@@H](CNC(=O)C1=CC=CC(C(N)=O)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015906	0	43	-1.0	-59.32	387.52	-2.73	-62.05
CC1=CC(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300025015907	0	44	-1.0	-49.76	391.45	-0.09	-49.85
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CCOC1	REAL300025015908	0	46	-1.0	-46.64	386.29	-1.34	-47.98
CC1=CN2C(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=CN=C2S1	REAL300025015909	0	42	-1.0	-46.16	387.16	0.81	-45.35
C[C@@H](CNC(=O)C1=CC(N)=C(F)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015910	0	40	-1.0	-46.62	368.26	-3.35	-49.97
C[C@@H](CNC(=O)C1(C2=CC=NC=C2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015911	0	45	-1.0	-47.98	396.28	0.36	-47.62
C[C@@H](CNC(=O)C1=COC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015912	0	36	-1.0	-47.66	350.78	-1.02	-48.68
C[C@@H](CNC(=O)C1CCC2=CN=NN2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015913	0	45	-1.0	-52.39	389.65	-1.59	-53.98
CCOC1=CC(=O)OC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015914	0	45	-1.0	-50.82	405.13	-0.16	-50.98
CC1=NC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C2C=CNC2=N1	REAL300025015915	0	44	-1.0	-50.72	393.75	-0.54	-51.26
C[C@@H](CNC(=O)CC1=C2NC=CC=C2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015916	0	45	-1.0	-60.82	401.33	-0.75	-61.57
C[C@@H](CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015917	0	48	0.0	-68.04	400.10	0.53	-67.51
CSC1=NC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025015918	0	39	-1.0	-46.07	381.20	-1.26	-47.33
C[C@@H](CNC(=O)C1CCCCNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015919	0	46	-1.0	-48.72	376.54	-2.22	-50.94
C[C@@H](CNC(=O)C1=NN=CN1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015920	0	42	-1.0	-51.42	376.43	0.82	-50.60
C[C@@H](CNC(=O)[C@@H]1[C@H](C(F)F)C1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015921	0	45	-1.0	-45.78	387.76	0.77	-45.01
C[C@@H](CNC(=O)C1CCC(OC(F)F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015922	0	46	-1.0	-47.62	402.39	-0.70	-48.32
C[C@@H](CNC(=O)C12CC3CC(CC(C3)O1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015923	0	51	-1.0	-46.38	406.21	0.33	-46.05
C[C@@H](CNC(=O)CC1(C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015924	0	46	-1.0	-44.64	384.31	1.50	-43.14
CC(C)[C@@H](NC(N)=O)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015925	0	47	-1.0	-49.13	398.71	-4.97	-54.10
CC1=CC=CC2=C(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=NN21	REAL300025015926	0	45	-1.0	-52.57	398.80	0.69	-51.88
C[C@@H](CNC(=O)C1=CC(C2CCC2)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015927	0	45	-1.0	-47.10	396.61	0.35	-46.75
C[C@@H](CNC(=O)[C@@H]1CC1(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015928	0	36	-1.0	-48.55	336.95	-0.94	-49.49
CC1=CNC2=NC=C(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=C12	REAL300025015929	0	45	-1.0	-50.68	398.61	0.34	-50.34
C[C@@H](CNC(=O)C1(CC[NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015930	0	57	0.0	-69.48	451.74	2.39	-67.09
COC12CCC(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)(CC1)C2	REAL300025015931	0	50	-1.0	-46.67	414.82	-0.31	-46.98
C[C@@H](CNC(=O)CC[NH+]1C(C)CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015932	0	57	0.0	-64.76	441.12	1.91	-62.85
C[C@@H](CNC(=O)C(F)C1CCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015933	0	43	-1.0	-47.79	373.13	-1.82	-49.61
C[C@@H](CNC(=O)C1=C(C2CC2)N=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015934	0	42	-1.0	-48.31	376.88	-2.36	-50.67
C[C@@H](CNC(=O)C1=NNN=C1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015934	1	42	-1.0	-46.62	378.14	-2.43	-49.05
C[C@@H](CNC(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015935	0	54	0.0	-65.78	422.82	1.47	-64.31
C[C@@H](CNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015936	0	51	0.0	-68.36	426.22	1.35	-67.01
C#CC1=CC=C(OCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025015937	0	45	-1.0	-50.78	411.11	2.16	-48.62
C[C@@H](CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015938	0	54	0.0	-65.30	422.81	1.47	-63.83
C[C@@H](CNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015939	0	49	0.0	-69.23	401.78	0.86	-68.37
C[C@@H](CNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015939	1	49	0.0	-69.01	401.76	0.86	-68.15
C[C@@H](CNC(=O)C1CNC2=NC=NN2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015940	0	44	-1.0	-51.50	384.73	0.06	-51.44
C[C@@H](CNC(=O)CCC12CCC(CC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015941	0	52	-1.0	-45.32	423.41	2.40	-42.92
CC1=NN(C)C(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015942	0	45	-1.0	-52.27	397.16	-0.84	-53.11
C[C@@H](CNC(=O)C(O)CCN1C=NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015943	0	45	-1.0	-53.43	403.39	-0.79	-54.22
C[C@@H](CNC(=O)[C@H]1C[C@](F)(CO)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015944	0	43	-1.0	-50.53	379.18	-3.35	-53.88
C[C@@H](CNC(=O)C1CC2CCCCCCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015945	0	55	-1.0	-44.98	426.39	2.57	-42.41
C[C@@H](CNC(=O)CC1CC(C)OC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015946	0	49	-1.0	-46.38	405.83	-0.52	-46.90
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015947	0	37	-1.0	-48.82	346.46	-0.73	-49.55
CCCC(CC)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015948	0	50	-1.0	-45.06	406.99	1.39	-43.67
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015949	0	45	-1.0	-50.03	398.24	0.59	-49.44
C=C(C)CCCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015950	0	45	-1.0	-46.22	392.37	0.86	-45.36
C[C@@H](CNC(=O)C1=CC=C2NCCOC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015951	0	46	-1.0	-49.87	399.06	-1.56	-51.43
CC1=NN2CCCNC2=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015952	0	48	-1.0	-51.55	415.37	-1.69	-53.24
C[C@@H](CNC(=O)CC1CC(O)C1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015953	0	49	-1.0	-48.24	409.22	-2.10	-50.34
C[C@@H](CNC(=O)C1=CON=C1C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015954	0	45	-1.0	-48.42	395.34	0.49	-47.93
CCC1=NC(N)=NC=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015955	0	45	-1.0	-47.51	391.01	-0.88	-48.39
C[C@@H](CNC(=O)C=CC1=CN=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015956	0	41	-1.0	-48.74	377.10	-1.79	-50.53
C[C@@H](CNC(=O)CN1C=C(C#N)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015957	0	40	-1.0	-54.90	376.43	-1.06	-55.96
C[C@@H](CNC(=O)CCC(=O)C1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015958	0	46	-1.0	-49.48	411.83	-0.03	-49.51
CCC1=NC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300025015959	0	46	-1.0	-47.09	400.11	-0.38	-47.47
C[C@@H](CNC(=O)C1=CC=C2CCCC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015960	0	45	-1.0	-47.63	393.08	0.53	-47.10
CCOC(=O)C1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC=CC1	REAL300025015961	0	49	-1.0	-45.49	418.87	1.27	-44.22
C[C@@H](CNC(=O)CC(C)(C)C(C)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015962	0	47	-1.0	-45.47	391.89	0.52	-44.95
C[C@@H](CNC(=O)C1CCCC2(CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015963	0	52	-1.0	-44.95	419.97	2.28	-42.67
CC1=NC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300025015964	0	41	-1.0	-53.43	370.31	-1.43	-54.86
C[C@@H](CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015965	0	43	-1.0	-50.88	390.46	-0.19	-51.07
C[C@@H](CNC(=O)C1(N2C=NN=N2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015966	0	41	-1.0	-51.40	375.70	-1.40	-52.80
CNC1=CN=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025015967	0	42	-1.0	-47.59	377.28	-3.56	-51.15
C[C@@H](CNC(=O)C1CCC2=NN=NN2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015968	0	44	-1.0	-54.30	384.33	-1.89	-56.19
C[C@@H](CNC(=O)CSC1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015969	0	42	-1.0	-48.79	391.56	-0.06	-48.85
C[C@@H](CNC(=O)CC1CCC(F)(F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015970	0	48	-1.0	-46.72	405.91	1.46	-45.26
C[C@@H](CNC(=O)CC1=CC2=NNN=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015971	0	44	-1.0	-52.03	394.94	-1.66	-53.69
C[C@@H](CNC(=O)CC1=CC=C2NN=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015971	1	44	-1.0	-52.77	395.93	-1.75	-54.52
C[C@@H](CNC(=O)C1=CC=C2CC(=O)NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015972	0	44	-1.0	-50.08	392.27	-1.15	-51.23
C[C@@H](CNC(=O)C1CC2CC(O)CC(C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015973	0	53	-1.0	-46.92	417.05	-0.86	-47.78
C[C@@H](CNC(=O)C1=CC(N)=NC(N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015974	0	41	-1.0	-47.79	373.05	-3.41	-51.20
C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015975	0	40	-1.0	-48.64	353.11	-4.04	-52.68
CC(=CC1=CC=CO1)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015976	0	43	-1.0	-47.20	379.83	0.57	-46.63
C[C@@H](CNC(=O)CCC1CC1(Cl)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015977	0	42	-1.0	-47.27	399.50	1.42	-45.85
COC(=O)C1CCOC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015978	0	46	-1.0	-48.07	403.21	-0.70	-48.77
C[C@@H](CNC(=O)CC1CC1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015979	0	45	-1.0	-45.84	385.91	0.77	-45.07
C[C@@H](CNC(=O)C1=C2C=CC=NN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015980	0	42	-1.0	-51.34	378.19	0.21	-51.13
C[C@@H](CNC(=O)CCC1=CC=CN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015981	0	44	-1.0	-49.82	404.03	0.39	-49.43
CC(=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300025015982	0	48	-1.0	-44.87	398.52	1.04	-43.83
C[C@@H](CNC(=O)C1=CC=CC2=C1C(=O)CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015983	0	45	-1.0	-54.11	392.26	2.87	-51.24
C[C@@H](CNC(=O)C1=CNC(=S)N1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015984	0	44	-1.0	-55.11	394.71	0.57	-54.54
CSC1=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CO1	REAL300025015985	0	40	-1.0	-48.58	378.16	-0.43	-49.01
C[C@@H](CNC(=O)C1=NC(=O)SC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015986	0	39	-1.0	-50.74	368.24	-3.60	-54.34
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)NC(=O)S1	REAL300025015986	1	39	-1.0	-48.53	364.72	-2.88	-51.41
C[C@@H](CNC(=O)C1(C2=CC=NC=C2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015987	0	48	-1.0	-46.93	412.47	0.90	-46.03
CSC1=CC=CN=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015988	0	42	-1.0	-48.85	382.41	-0.35	-49.20
C[C@@H](CNC(=O)C1CCC12CCOCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015989	0	50	-1.0	-46.26	409.49	-0.22	-46.48
C[C@@H](CNC(=O)C1=CC(C2(C)CC2)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015990	0	46	-1.0	-47.77	405.75	-0.51	-48.28
C[C@@H](CNC(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015991	0	39	-2.0	-88.66	366.27	-3.51	-92.17
C[C@@H](CNC(=O)C1=NOC2=NC=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015992	0	40	-1.0	-51.89	370.62	-3.37	-55.26
C[C@@H](CNC(=O)C1=NC=CC(N)=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015993	0	40	-1.0	-48.11	373.06	-2.87	-50.98
C[C@@H](CNC(=O)C1=CC=C(C(F)F)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015994	0	41	-1.0	-47.64	381.78	-0.41	-48.05
C[C@@H](CNC(=O)C1=C(Cl)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015995	0	37	-1.0	-47.48	353.01	-0.08	-47.56
CCCC1=CC=C(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025015996	0	51	-1.0	-47.37	439.35	3.29	-44.08
CC1=CC(C=CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CN=C1N	REAL300025015997	0	47	-1.0	-49.53	412.56	-0.70	-50.23
CC1=CC(C=CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300025015997	1	48	0.0	-66.63	415.71	-0.24	-66.87
COC1=CC=CC(NCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025015998	0	48	-1.0	-48.60	417.33	-1.34	-49.94
CC1=NN=NN1CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015999	0	40	-1.0	-57.04	365.81	-2.52	-59.56
C[C@@H](CNC(=O)C1=CC=CC2=NN=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016000	0	41	-1.0	-53.71	368.25	1.33	-52.38
C[C@@H](CNC(=O)C1CCOC(=O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016001	0	45	-1.0	-53.31	384.55	-0.17	-53.48
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C1=NN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016002	0	42	-1.0	-55.04	375.15	-0.47	-55.51
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C1=NNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016002	1	42	-1.0	-51.89	374.50	-0.14	-52.03
C[C@@H](CNC(=O)C1COC2COCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016003	0	45	-1.0	-49.24	379.87	-3.07	-52.31
C[C@@H](CNC(=O)[C@]12C[C@H]1[C@H](F)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016004	0	40	-1.0	-47.82	360.54	0.15	-47.67
C[C@@H](CNC(=O)C1=CN=CC(C(C)(C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016005	0	50	-1.0	-47.16	421.83	0.89	-46.27
C[C@@H](CNC(=O)CCC1=CC=CC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016006	0	45	-1.0	-54.56	401.00	-1.34	-55.90
C[C@@H](CNC(=O)C1=CC(C(C)(F)F)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016007	0	42	-1.0	-47.95	387.51	-1.57	-49.52
C[C@@H](CNC(=O)C1=CNC(=O)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016008	0	36	-1.0	-52.60	339.26	-4.34	-56.94
C[C@@H](CNC(=O)C12CCC(C)(CC1)CO2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016009	0	50	-1.0	-45.03	409.08	-0.11	-45.14
CC(C)[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016010	0	45	-1.0	-45.49	387.31	0.85	-44.64
C[C@@H](CNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016011	0	48	0.0	-67.93	406.39	-0.14	-68.07
CC1=NN(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1C	REAL300025016012	0	48	-1.0	-52.56	416.49	0.09	-52.47
C[C@@H](CNC(=O)C1=CC=NC2=NNC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016013	0	41	-1.0	-53.03	370.62	-1.63	-54.66
C[C@@H](CNC(=O)C1=CN=C(Cl)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016014	0	36	-1.0	-46.70	349.37	-2.32	-49.02
CCCC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025016015	0	46	-1.0	-46.47	402.34	0.26	-46.21
C[C@@H](CNC(=O)C=CCOC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016016	0	47	-1.0	-48.67	418.08	1.28	-47.39
CCCCC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016017	0	56	0.0	-69.81	455.13	2.32	-67.49
CCCCC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016017	1	56	0.0	-69.70	455.13	2.32	-67.38
C[C@@H](CNC(=O)C(C)(C)C1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016018	0	47	-1.0	-48.06	401.29	0.23	-47.83
C[C@@H](CNC(=O)C1CSCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016019	0	42	-1.0	-47.76	374.45	-2.44	-50.20
C[C@@H](CNC(=O)C1=CC2CCCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016020	0	44	-1.0	-45.68	379.97	1.19	-44.49
C[C@H](CNC(=O)C(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198150	0	33	-1.0	-47.66	310.29	-6.59	-54.25
C[C@H](CNC(=O)C1=CC2=NON=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198151	0	40	-1.0	-47.82	365.55	-0.78	-48.60
C[C@H](CNC(=O)CC1=CC=CC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198152	0	42	-1.0	-47.70	391.69	1.58	-46.12
C[C@H](CNC(=O)CCOC1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198153	0	46	-1.0	-47.04	411.24	0.77	-46.27
C[C@H](CNC(=O)C1=CC=CC(Cl)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198154	0	39	-1.0	-49.44	371.07	0.95	-48.49
C[C@H](CNC(=O)CCCC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198155	0	48	-1.0	-47.71	417.85	2.66	-45.05
CC1=NOC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198156	0	38	-1.0	-48.56	347.77	-1.57	-50.13
CC1=CC(C)=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300025198157	0	51	-1.0	-47.80	430.46	2.75	-45.05
CC1=CC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(C)=C1	REAL300025198158	0	48	-1.0	-47.96	417.78	2.39	-45.57
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=C1	REAL300025198159	0	45	-1.0	-46.64	407.62	2.12	-44.52
CC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300025198160	0	42	-1.0	-45.79	385.75	1.48	-44.31
C[C@H](CNC(=O)CC1CCC2(CCC2)CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198161	0	53	-1.0	-47.32	434.86	1.74	-45.58
C[C@H](CNC(=O)C1=CC(Cl)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198162	0	35	-1.0	-46.18	346.14	-1.77	-47.95
C[C@H](CNC(=O)C1=CN(CC2CC2)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198163	0	45	-1.0	-51.01	404.32	-0.88	-51.89
CCCN1C=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025198164	0	44	-1.0	-50.64	394.47	-1.68	-52.32
CC(C)N1C=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025198165	0	44	-1.0	-50.28	391.75	-1.92	-52.20
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=NN1C(C)C	REAL300025198166	0	47	-1.0	-50.88	409.52	-1.25	-52.13
CC(C)N(C)C(=O)C1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198167	0	52	-1.0	-49.48	439.76	0.15	-49.33
CCN1C=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025198168	0	41	-1.0	-51.18	372.97	-2.43	-53.61
CC(CC1=CN(C)N=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198169	0	48	-1.0	-49.64	415.10	0.08	-49.56
C[C@H](CNC(=O)CCC1CCCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198170	0	49	-1.0	-46.93	408.20	-0.34	-47.27
C[C@H](CNC(=O)CC(=O)NCC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198171	0	42	-1.0	-53.70	391.84	-1.56	-55.26
C[C@H](CNC(=O)CCN1C=NC=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198172	0	44	-1.0	-54.46	395.15	-0.13	-54.59
CC(C)OC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025198173	0	48	-1.0	-46.01	421.73	-0.91	-46.92
C[C@H](CNC(=O)C1=COC(C2CCCC2)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198174	0	48	-1.0	-46.58	416.78	-1.67	-48.25
COCC1=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CO1	REAL300025198175	0	42	-1.0	-48.57	385.00	-5.23	-53.80
C[C@H](CNC(=O)C1=COC(CC2CC2)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198176	0	45	-1.0	-47.10	404.43	-1.97	-49.07
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C(C2CC2)O1	REAL300025198177	0	45	-1.0	-47.23	402.37	-1.85	-49.08
CC1=NC2=CC=NN2C=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198178	0	44	-1.0	-49.83	389.13	-0.03	-49.86
C[C@H](CNC(=O)C1CC1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198179	0	49	-1.0	-45.45	412.02	2.14	-43.31
CCC1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198180	0	51	-1.0	-44.20	404.10	1.69	-42.51
CCC1(C(C)C)CC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198181	0	51	-1.0	-43.81	404.10	1.63	-42.18
CCC1(C)CC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198182	0	45	-1.0	-45.08	379.14	0.72	-44.36
CC(C)C1(C)CC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198183	0	48	-1.0	-44.95	395.45	0.98	-43.97
C[C@H](CNC(=O)C1(N2CCOCC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198184	0	52	-1.0	-46.48	416.29	-2.26	-48.74
C[C@H](CNC(=O)C(C)(C)C1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198185	0	48	-1.0	-49.50	412.65	-0.17	-49.67
C[C@H](CNC(=O)C1(S(C)(=O)=O)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198186	0	45	-1.0	-50.77	398.10	-3.16	-53.93
COCC(C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198187	0	45	-1.0	-47.32	386.11	-1.45	-48.77
CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198188	0	46	-1.0	-50.76	410.78	-3.53	-54.29
CCC1=CNC(=O)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198189	0	45	-1.0	-53.98	395.36	-0.99	-54.97
CCOC1=NC(C)=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198190	0	48	-1.0	-49.91	418.81	-0.11	-50.02
COCCC(C)(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198191	0	48	-1.0	-47.23	401.28	-1.13	-48.36
CCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025198192	0	48	-1.0	-45.01	393.62	1.04	-43.97
CC1=NON=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198193	0	40	-1.0	-54.67	367.18	-2.40	-57.07
C[C@H](CNC(=O)C1=NNC2=C1CC(C)CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198194	0	49	-1.0	-48.69	415.28	-0.17	-48.86
C[C@H](CNC(=O)C1=C2CC(C)CCC2=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198194	1	49	-1.0	-47.55	414.16	-0.12	-47.67
C[C@H](CNC(=O)C1=CC=CC2=NSN=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198195	0	40	-1.0	-52.52	374.56	-1.15	-53.67
CCCC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300025198196	0	44	-1.0	-47.16	393.96	0.03	-47.13
CC1=C(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)SC=N1	REAL300025198197	0	44	-1.0	-47.99	399.88	-0.40	-48.39
C[C@H](CNC(=O)C1=CC=C2SC=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198198	0	42	-1.0	-47.10	387.19	1.74	-45.36
C[C@H](CNC(=O)C1=NOC2=C1CC(C)CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198199	0	48	-1.0	-47.88	411.62	0.96	-46.92
C[C@H](CNC(=O)CCC1=CC=C(F)C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198200	0	45	-1.0	-47.70	408.22	1.98	-45.72
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C(C(C)C)O1	REAL300025198201	0	48	-1.0	-45.80	416.17	1.40	-44.40
C[C@H](CNC(=O)C1=CC=CC2=CC=NC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198202	0	44	-1.0	-49.79	386.90	0.85	-48.94
COC1=CC=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300025198203	0	46	-1.0	-49.88	409.91	0.39	-49.49
CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198204	0	54	0.0	-67.11	425.78	1.42	-65.69
COC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025198205	0	42	-1.0	-46.84	379.74	-2.75	-49.59
C[C@H](CNC(=O)C1=CC=C2SC=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198206	0	41	-1.0	-49.58	381.34	-0.24	-49.82
CC(C)C1=NN(C)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198207	0	48	-1.0	-46.72	412.78	-0.03	-46.75
C[C@H](CNC(=O)C1(C2=CC=CC=C2F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198208	0	46	-1.0	-48.75	410.30	2.25	-46.50
C[C@H](CNC(=O)C1=C(C2CC2)ON=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198209	0	42	-1.0	-47.19	379.13	0.19	-47.00
C[C@H](CNC(=O)C1=CNN=C1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198210	0	43	-1.0	-49.46	382.07	-1.01	-50.47
CC(C)C1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=NO1	REAL300025198211	0	44	-1.0	-46.82	388.72	0.03	-46.79
C[C@H](CNC(=O)C1=CC=C2C(=C1)N=CN2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198212	0	45	-1.0	-53.09	398.63	1.71	-51.38
C[C@H](CNC(=O)CCC1(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198213	0	45	-1.0	-45.70	384.41	0.78	-44.92
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)ON=C1	REAL300025198214	0	38	-1.0	-47.19	347.56	-1.50	-48.69
C[C@H](CNC(=O)C1=C2OCCOC2=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198215	0	42	-1.0	-49.95	385.23	-1.13	-51.08
COC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025198216	0	41	-1.0	-48.64	372.36	-4.92	-53.56
CC1=CC(=O)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CN1	REAL300025198217	0	42	-1.0	-58.34	374.65	-1.09	-59.43
C[C@H](CNC(=O)C1=CC2=CC=CN=C2S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198218	0	41	-1.0	-50.48	384.21	-0.11	-50.59
CC1=CC(Cl)=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198219	0	42	-1.0	-45.08	383.14	1.57	-43.51
CC1=CC=C(CCCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198220	0	51	-1.0	-47.81	439.27	3.34	-44.47
C[C@H](CNC(=O)C1=CC2=CC=CN=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198221	0	44	-1.0	-49.92	391.43	0.75	-49.17
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300025198222	0	42	-1.0	-46.43	385.76	1.48	-44.95
CC(CC(F)(F)F)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198223	0	41	-1.0	-45.49	368.53	-0.27	-45.76
COC1=NC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198224	0	42	-1.0	-50.04	375.36	-1.64	-51.68
C[C@H](CNC(=O)C1(C)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198225	0	48	-1.0	-44.86	388.48	1.00	-43.86
C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198226	0	48	0.0	-69.64	395.11	0.46	-69.18
CCCOC1=CC=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198227	0	48	-1.0	-50.18	418.41	0.96	-49.22
CC1=CC=C(C)C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198228	0	48	-1.0	-47.66	413.14	2.22	-45.44
C[C@H](CNC(=O)C1=CC(C(C)(C)C)=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198229	0	51	-1.0	-46.60	433.01	0.59	-46.01
CC1=CC=C(F)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300025198230	0	42	-1.0	-49.17	386.90	0.98	-48.19
CC1=CC=CC(Cl)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198231	0	42	-1.0	-47.48	389.34	1.20	-46.28
C[C@H](CNC(=O)C1(C)CC=CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198232	0	43	-1.0	-45.67	368.73	0.41	-45.26
C[C@H](CNC(=O)C1=CN(C)C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198233	0	40	-1.0	-52.55	364.08	-2.82	-55.37
COC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025198234	0	45	-1.0	-44.50	383.80	-1.21	-45.71
C[C@H](CNC(=O)CC1CC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198235	0	42	-1.0	-45.96	367.26	0.30	-45.66
CCCCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198236	0	48	-1.0	-45.55	409.65	1.63	-43.92
C=C1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198237	0	46	-1.0	-45.44	388.45	1.08	-44.36
C=CCCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198238	0	46	-1.0	-45.37	401.42	1.38	-43.99
C=CC(C)(CC)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198239	0	45	-1.0	-45.23	372.89	1.03	-44.20
C[C@H](CNC(=O)C1CCC(F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198240	0	45	-1.0	-45.96	382.49	0.72	-45.24
C[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198241	0	43	-1.0	-47.52	369.17	-1.85	-49.37
C=CCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025198242	0	46	-1.0	-44.79	382.78	1.07	-43.72
C[C@H](CNC(=O)CC1=CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198243	0	44	-1.0	-47.10	381.97	-1.11	-48.21
CCC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)OC=C1	REAL300025198244	0	42	-1.0	-46.71	373.71	-0.18	-46.89
CCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198245	0	42	-1.0	-45.54	367.77	0.04	-45.50
CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025198246	0	50	0.0	-65.19	399.65	0.99	-64.20
CCC1CCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198247	0	48	-1.0	-45.20	394.22	1.21	-43.99
C[C@H](CNC(=O)C1(C)CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198248	0	48	-1.0	-45.08	389.56	1.55	-43.53
C[C@H](CNC(=O)CC(C)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198249	0	38	-1.0	-50.45	346.85	-0.95	-51.40
COC(CC(C)C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198250	0	48	-1.0	-46.71	407.26	0.31	-46.40
CCCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198251	0	45	-1.0	-45.37	388.61	0.83	-44.54
C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198252	0	43	-1.0	-50.33	375.16	-3.24	-53.57
CCC1=NOC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198253	0	41	-1.0	-48.41	369.26	-0.84	-49.25
C[C@H](CNC(=O)C1CCOCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198254	0	46	-1.0	-45.46	377.00	-1.29	-46.75
C[C@H](CNC(=O)C1=CC=C(Cl)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198255	0	37	-1.0	-45.77	354.52	-1.42	-47.19
COCC(OC)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198256	0	43	-1.0	-47.94	377.84	-2.39	-50.33
C[C@H](CNC(=O)C1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198257	0	48	-1.0	-45.28	399.17	1.11	-44.17
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CCCO1	REAL300025198258	0	46	-1.0	-48.18	387.15	-0.14	-48.32
CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198259	0	45	-1.0	-45.59	389.74	1.07	-44.52
C[C@H](CNC(=O)C12CC1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198260	0	46	-1.0	-45.24	383.08	1.18	-44.06
CC(C)C1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198261	0	45	-1.0	-45.33	386.12	0.68	-44.65
C=C1CC(C)(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198262	0	43	-1.0	-45.23	372.93	0.41	-44.82
C[C@H](CNC(=O)C(C)(C)C(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198263	0	41	-1.0	-46.47	363.01	-0.50	-46.97
CC1=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)OC=C1	REAL300025198264	0	42	-1.0	-49.69	376.26	-0.15	-49.84
CCC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)OC=N1	REAL300025198265	0	41	-1.0	-47.46	368.80	-3.56	-51.02
C#CC1=CN=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198266	0	40	-1.0	-48.69	372.61	-0.20	-48.89
CCOC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300025198267	0	45	-1.0	-48.13	399.57	-1.96	-50.09
CC(OC1CCCCCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198268	0	55	-1.0	-47.51	438.53	2.06	-45.45
CC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(F)=C1	REAL300025198269	0	48	-1.0	-46.83	416.20	2.38	-44.45
CC(OC1=CC=CN=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198270	0	45	-1.0	-50.40	395.55	-0.19	-50.59
COCC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300025198271	0	46	-1.0	-47.49	409.08	0.32	-47.17
C[C@H](CNC(=O)C1=CC=CC(=O)N1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198272	0	42	-1.0	-51.36	369.49	-0.95	-52.31
C[C@H](CNC(=O)C1(CF)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198273	0	39	-1.0	-47.70	353.06	-0.49	-48.19
C[C@H](CNC(=O)C1CC2(CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198274	0	43	-1.0	-45.45	374.04	0.74	-44.71
CC1=CC(=O)NC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198275	0	42	-1.0	-52.17	371.23	-2.00	-54.17
C[C@H](CNC(=O)C1=CC(C(F)F)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198276	0	39	-1.0	-48.17	367.24	-2.32	-50.49
CC1=CC(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300025198277	0	44	-1.0	-48.87	393.27	-0.01	-48.88
C[C@H](CNC(=O)C1=CON=C1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198278	0	42	-1.0	-48.96	379.51	0.01	-48.95
C[C@H](CNC(=O)C1=C2N=CN(C)C2=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198279	0	44	-1.0	-55.97	393.46	1.02	-54.95
CCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025198280	0	53	0.0	-61.59	416.80	1.17	-60.42
C[C@H](CNC(=O)C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198281	0	41	-1.0	-45.33	353.38	-0.69	-46.02
C[C@H](CNC(=O)C1=CC=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198282	0	39	-1.0	-47.22	362.86	0.89	-46.33
C[C@H](CNC(=O)CC1=CC=CC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198283	0	48	-1.0	-49.31	417.64	3.20	-46.11
C[C@H](CNC(=O)CNC(=O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198284	0	46	-1.0	-50.52	409.31	-1.13	-51.65
C[C@H](CNC(=O)C1=CC=C(Cl)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198285	0	39	-1.0	-45.73	367.06	0.90	-44.83
CCCCCCCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198286	0	53	-1.0	-45.61	443.94	2.76	-42.85
COC1=CC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198287	0	43	-1.0	-49.43	377.66	0.94	-48.49
C[C@H](CNC(=O)C1=NC2=CC=CC=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198288	0	44	-1.0	-48.72	393.80	0.83	-47.89
C[C@H](CNC(=O)C1=CC=C(C(C)(C)C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198289	0	51	-1.0	-45.93	426.45	2.70	-43.23
C[C@H](CNC(=O)C1=C(F)C=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198290	0	39	-1.0	-48.49	376.11	0.72	-47.77
CCCCCCCCCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198291	0	59	-1.0	-45.62	486.93	4.32	-41.30
C[C@H](CNC(=O)C1=CC=CC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198292	0	39	-1.0	-46.41	367.07	0.89	-45.52
COC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198293	0	43	-1.0	-46.81	379.74	-0.31	-47.12
C[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198294	0	53	-1.0	-44.79	415.14	2.31	-42.48
CC(=O)NC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198295	0	46	-1.0	-52.42	406.31	-0.72	-53.14
CCCCCCCCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198296	0	56	-1.0	-45.55	465.43	3.54	-42.01
C[C@H](CNC(=O)CCC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198297	0	45	-1.0	-46.45	396.35	1.88	-44.57
C[C@H](CNC(=O)CC1=CNC2=CC=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198298	0	46	-1.0	-50.72	406.87	1.13	-49.59
CC(C)C1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198299	0	48	-1.0	-45.95	410.49	2.30	-43.65
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198300	0	42	-1.0	-46.38	371.74	1.06	-45.32
C[C@H](CNC(=O)COC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198301	0	43	-1.0	-49.73	383.88	0.95	-48.78
C[C@H](CNC(=O)C1=CC2=CC=CC=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198302	0	45	-1.0	-47.49	396.40	2.64	-44.85
COC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198303	0	43	-1.0	-48.33	379.82	-0.32	-48.65
COC1=CC=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198304	0	46	-1.0	-49.04	404.46	0.37	-48.67
C[C@H](CNC(=O)C1=C(F)C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198305	0	39	-1.0	-49.34	366.62	0.34	-49.00
COC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1OC	REAL300025198306	0	47	-1.0	-50.11	408.69	0.70	-49.41
COC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(OC)=C1	REAL300025198307	0	47	-1.0	-49.45	407.03	0.25	-49.20
COC1=CC=CC(OC)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198308	0	47	-1.0	-51.01	412.46	-1.06	-52.07
COC1=CC(OC)=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198309	0	47	-1.0	-48.78	409.27	-1.01	-49.79
C[C@H](CNC(=O)C1=CC=CC(N(C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198310	0	47	-1.0	-47.51	402.82	0.79	-46.72
C[C@H](CNC(=O)C1=CC=C(N(C)C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198311	0	47	-1.0	-47.35	401.22	0.77	-46.58
CC1=CC=C(C)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198312	0	45	-1.0	-45.66	387.82	1.73	-43.93
CC1=CC(C)=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198313	0	45	-1.0	-46.32	393.14	1.71	-44.61
C[C@H](CNC(=O)CC1=CC=C(Cl)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198314	0	42	-1.0	-47.55	391.69	1.59	-45.96
C[C@H](CNC(=O)COC1=CC=C(Cl)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198315	0	43	-1.0	-49.09	400.61	1.48	-47.61
CCOC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198316	0	46	-1.0	-46.56	401.59	0.63	-45.93
CCOC1=CC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198317	0	46	-1.0	-49.32	399.52	1.85	-47.47
C[C@H](CNC(=O)CC1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198318	0	42	-1.0	-48.17	381.37	1.14	-47.03
CCOC1=NC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198319	0	45	-1.0	-50.01	397.21	-0.72	-50.73
C[C@H](CNC(=O)C1=CC=C(F)C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198320	0	39	-1.0	-47.71	361.28	0.53	-47.18
CC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300025198321	0	45	-1.0	-46.02	383.25	1.59	-44.43
COC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1OC	REAL300025198322	0	47	-1.0	-48.91	408.95	-0.40	-49.31
CCC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198323	0	45	-1.0	-46.15	393.22	1.82	-44.33
C[C@H](CNC(=O)C1=C2C=CC=CC2=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198324	0	42	-1.0	-49.58	377.39	-0.92	-50.50
C[C@H](CNC(=O)C1=NNC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198324	1	42	-1.0	-49.20	379.20	-0.94	-50.14
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300025198325	0	45	-1.0	-45.80	387.81	1.73	-44.07
C[C@H](CNC(=O)CC1=CC=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198326	0	42	-1.0	-49.05	380.38	1.11	-47.94
CC1=CC=CC=C1OCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198327	0	46	-1.0	-49.64	403.95	1.67	-47.97
C[C@H](CNC(=O)C1=CC=CC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198328	0	45	-1.0	-48.18	391.85	2.65	-45.53
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300025198329	0	45	-1.0	-46.70	388.71	1.58	-45.12
C[C@H](CNC(=O)C1CCC(C(C)(C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198330	0	57	-1.0	-44.50	438.40	2.48	-42.02
C[C@H](CNC(=O)CC1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198331	0	49	-1.0	-45.59	399.64	1.64	-43.95
C[C@H](CNC(=O)C1=CC=C(F)C=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198332	0	39	-1.0	-46.21	369.25	0.95	-45.26
C[C@H](CNC(=O)C1=CNC(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198333	0	39	-1.0	-51.76	354.95	-2.68	-54.44
CC(OC1=CC=CC=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198334	0	46	-1.0	-49.35	401.31	1.53	-47.82
COC1=CC=CC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198335	0	46	-1.0	-49.53	404.47	0.37	-49.16
C[C@H](CNC(=O)CCC1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198336	0	51	-1.0	-45.51	417.14	2.04	-43.47
CCCCCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198337	0	47	-1.0	-45.64	400.94	1.20	-44.44
CCC1=CC=C(OCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198338	0	49	-1.0	-49.38	426.77	2.40	-46.98
C[C@H](CNC(=O)CCOC1=CC=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198339	0	46	-1.0	-49.45	411.06	0.78	-48.67
CCC1=CC=CC=C1OCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198340	0	49	-1.0	-49.43	425.57	2.41	-47.02
C[C@H](CNC(=O)C1=CC2=C(C=CS2)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198341	0	40	-1.0	-47.31	374.20	-0.63	-47.94
C[C@H](CNC(=O)C1=C2C=CC=CC2=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198342	0	45	-1.0	-51.14	402.22	0.22	-50.92
CC(C)C1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198343	0	48	-1.0	-46.28	410.52	2.29	-43.99
C[C@H](CNC(=O)C1=C(F)N2C=CC=CC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198344	0	42	-1.0	-51.85	386.56	0.84	-51.01
C[C@H](CNC(=O)C1(F)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198345	0	45	-1.0	-45.07	381.80	0.58	-44.49
C[C@H](CNC(=O)C1=CC=C2C=CN(C)C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198346	0	46	-1.0	-49.67	404.00	2.12	-47.55
C[C@H](CNC(=O)C1=C2SC=CC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198347	0	42	-1.0	-48.69	384.81	1.74	-46.95
C[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198348	0	47	-1.0	-52.84	412.09	-3.12	-55.96
COC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025198349	0	41	-1.0	-48.29	374.82	-4.22	-52.51
C[C@H](CNC(=O)C1=C(C2CC2)OC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198350	0	42	-1.0	-48.12	379.12	-2.63	-50.75
CCC1=NC(C)=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025198351	0	44	-1.0	-46.47	390.79	-2.79	-49.26
CC1=NC2=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C2N1	REAL300025198352	0	45	-1.0	-55.31	397.50	0.00	-55.31
CC1=NC2=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=C2N1	REAL300025198352	1	45	-1.0	-50.02	396.04	0.03	-49.99
CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198353	0	47	0.0	-68.20	390.63	0.01	-68.19
CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198353	1	47	0.0	-68.25	390.63	0.03	-68.22
C[C@H](CNC(=O)C1CC12CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198354	0	46	-1.0	-45.26	387.96	1.38	-43.88
C[C@H](CNC(=O)CCC1=CN=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198355	0	43	-1.0	-48.62	385.33	-1.76	-50.38
CC1=CC(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(C)=C1	REAL300025198356	0	51	-1.0	-46.56	439.18	3.20	-43.36
CC(C)C1CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025198357	0	52	-1.0	-45.89	420.09	0.24	-45.65
C[C@H](CNC(=O)C1=C2CCCCN2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198358	0	46	-1.0	-49.46	394.41	-0.23	-49.69
C[C@H](CNC(=O)C1=CC2=CN=CC=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198359	0	44	-1.0	-47.99	391.28	0.87	-47.12
C[C@H](CNC(=O)CCCN1C=NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198360	0	44	-1.0	-54.77	393.59	1.29	-53.48
C[C@H](CNC(=O)C1=CC2=CC=NC=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198361	0	44	-1.0	-48.35	391.30	0.87	-47.48
C[C@H](CNC(=O)C1=CSC(Cl)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198362	0	35	-1.0	-47.06	354.66	-2.11	-49.17
C[C@H](CNC(=O)C(C)(C)CC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198363	0	44	-1.0	-45.06	381.11	0.20	-44.86
C[C@H](CNC(=O)C1=CC=C2C(=C1)CCN2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198364	0	48	-1.0	-47.50	411.06	0.22	-47.28
CC1=CON=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198365	0	38	-1.0	-48.49	347.87	-1.69	-50.18
CC(C)C1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=CO1	REAL300025198366	0	44	-1.0	-47.61	388.83	-2.79	-50.40
C[C@H](CNC(=O)C(C)(C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198367	0	51	-1.0	-45.67	425.95	2.70	-42.97
C[C@H](CNC(=O)CN1CCC(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198368	0	44	-1.0	-54.72	392.51	-3.45	-58.17
C[C@H](CNC(=O)C1=CC2=C(CCCC2)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198369	0	47	-1.0	-47.02	400.97	0.60	-46.42
CCC(=O)N1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198370	0	49	-1.0	-53.06	419.01	-0.57	-53.63
C[C@H](CNC(=O)CNC(=O)C1=CSC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198371	0	42	-1.0	-51.70	396.55	-4.11	-55.81
COC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300025198372	0	42	-1.0	-46.79	382.94	-1.03	-47.82
C[C@H](CNC(=O)C1=CN(CC2CC2)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198373	0	46	-1.0	-49.38	408.19	0.56	-48.82
CC(C)C1CC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025198374	0	55	-1.0	-45.98	444.84	1.06	-44.92
CCC1CC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025198375	0	52	-1.0	-46.06	427.83	0.53	-45.53
CCC1CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025198376	0	49	-1.0	-45.97	403.10	-0.28	-46.25
C[C@H](CNC(=O)C1CCC2=C(C1)NC=N2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198377	0	46	-1.0	-49.78	394.11	0.23	-49.55
C[C@H](CNC(=O)C1CCC2=C(C1)N=CN2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198377	1	46	-1.0	-51.59	394.05	0.23	-51.36
CC(=O)N1CCC(C)(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198378	0	49	-1.0	-53.65	413.40	-0.88	-54.53
CC1=CN2C=CN=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2=N1	REAL300025198379	0	44	-1.0	-55.17	396.08	-0.03	-55.20
C[C@H](CNC(=O)C1CC12CCOC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198380	0	44	-1.0	-46.10	377.72	-1.21	-47.31
C[C@H](CNC(=O)C1=CN(C2CCOC2)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198381	0	46	-1.0	-49.58	405.03	-3.25	-52.83
CCC1CCCN1C(=O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198382	0	49	-1.0	-48.42	411.91	-0.47	-48.89
COCCCC(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198383	0	48	-1.0	-46.43	407.79	-0.78	-47.21
CCC(CC(C)C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198384	0	50	-1.0	-45.10	407.07	1.10	-44.00
CCCCCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025198385	0	56	-1.0	-44.52	449.41	3.11	-41.41
COCCCN1C=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025198386	0	49	-1.0	-51.40	432.06	-1.17	-52.57
COCCCOCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198387	0	46	-1.0	-50.37	404.69	-1.72	-52.09
COCCCOCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198388	0	49	-1.0	-47.64	425.64	-2.00	-49.64
CC(C)CC(C)(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198389	0	50	-1.0	-45.28	402.23	1.09	-44.19
C[C@H](CNC(=O)CC(=O)NCC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198390	0	46	-1.0	-54.76	404.06	-0.46	-55.22
CCCN1N=C(C)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300025198391	0	51	-1.0	-49.44	441.95	0.76	-48.68
CC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1C=CC=N1	REAL300025198392	0	45	-1.0	-48.77	391.90	-0.51	-49.28
C[C@H](CNC(=O)C1=COC(C2CCC2)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198393	0	45	-1.0	-46.78	399.33	-2.20	-48.98
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C(C)C)=NN1	REAL300025198394	0	48	-1.0	-48.76	419.05	-0.82	-49.58
CC1=NNC(C(C)C)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198394	1	48	-1.0	-48.61	419.09	-0.82	-49.43
C[C@H](CNC(=O)CCCCC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198395	0	45	-1.0	-51.81	395.62	-3.52	-55.33
C[C@H](CNC(=O)C1=CC(C(N)=O)=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198396	0	40	-1.0	-54.39	371.85	-4.81	-59.20
C[C@H](CNC(=O)C1CCCC(F)(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198397	0	45	-1.0	-46.67	387.24	0.75	-45.92
C[C@H](CNC(=O)C1=CC=CC=C1C1(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198398	0	49	-1.0	-45.22	414.51	3.00	-42.22
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CSC=C1	REAL300025198399	0	42	-1.0	-46.53	381.96	0.62	-45.91
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CS1	REAL300025198400	0	42	-1.0	-46.87	382.85	0.80	-46.07
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300025198401	0	42	-1.0	-49.33	374.79	0.24	-49.09
C[C@H](CNC(=O)C(C)(C)C1=CC=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198402	0	48	-1.0	-47.92	412.00	2.05	-45.87
CC(C)CCN1C=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025198403	0	50	-1.0	-50.30	433.54	-0.40	-50.70
CCC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=NN1CC	REAL300025198404	0	47	-1.0	-50.77	406.32	-1.35	-52.12
CC(CC1=CC=CC=C1F)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198405	0	48	-1.0	-47.32	418.45	2.39	-44.93
C[C@H](CNC(=O)C1=CC2=C(C=CO2)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198406	0	39	-1.0	-48.34	369.95	-0.31	-48.65
C[C@H](CNC(=O)C1(C)CCNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198407	0	43	-1.0	-48.96	374.06	-3.83	-52.79
C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198408	0	44	-1.0	-59.34	389.01	-3.71	-63.05
C[C@H](CNC(=O)C1=C(C2CC2)SC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198409	0	42	-1.0	-47.52	384.77	-0.32	-47.84
CCOC1CC2(CC2C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198410	0	50	-1.0	-46.61	428.02	0.75	-45.86
C[C@H](CNC(=O)C1=CC=C2N=CN(C)C2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198411	0	44	-1.0	-49.51	395.83	0.96	-48.55
CC1=NC=CC=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198412	0	44	-1.0	-49.83	386.77	-0.26	-50.09
C[C@H](CNC(=O)C1=C(C2CC2)N=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198413	0	42	-1.0	-47.93	378.89	-2.64	-50.57
C[C@H](CNC(=O)CC1=CN(C)N=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198414	0	42	-1.0	-52.78	394.60	-0.72	-53.50
C[C@H](CNC(=O)C1=NN(C(C)(C)C)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198415	0	47	-1.0	-51.87	410.69	0.65	-51.22
CC1=CN2C=CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=CC2=N1	REAL300025198416	0	45	-1.0	-51.99	398.86	1.54	-50.45
C[C@H](CNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198417	0	48	0.0	-64.40	395.87	0.60	-63.80
C[C@H](CNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198417	1	48	0.0	-63.97	389.24	0.18	-63.79
CC(C)C1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300025198418	0	47	-1.0	-46.60	407.95	0.55	-46.05
C[C@H](CNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198419	0	48	0.0	-66.44	396.56	0.54	-65.90
C[C@H](CNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198419	1	48	0.0	-66.34	396.09	0.53	-65.81
C[C@H](CNC(=O)C1(CF)CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198420	0	46	-1.0	-47.71	385.59	-1.27	-48.98
CC1=NC=C2CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300025198421	0	49	-1.0	-51.12	416.38	1.08	-50.04
CC1=[NH+]C=C2CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300025198421	1	50	0.0	-63.37	419.06	1.53	-61.84
C[C@H](CNC(=O)C1CC2=CC=NC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198422	0	45	-1.0	-48.18	392.01	0.36	-47.82
C[C@H](CNC(=O)CC(F)(F)C(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198423	0	38	-1.0	-52.26	359.13	-0.71	-52.97
C[C@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198424	0	51	0.0	-66.37	416.10	1.06	-65.31
C[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198424	1	51	0.0	-66.32	415.76	1.05	-65.27
C[C@H](CNC(=O)CN1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198424	1	50	-1.0	-45.73	410.88	-1.58	-47.31
C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198425	0	53	0.0	-66.58	420.16	1.31	-65.27
C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198425	1	53	0.0	-66.99	418.36	1.21	-65.78
C[C@H](CNC(=O)CCC1=CN=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198426	0	41	-1.0	-47.75	381.11	-0.89	-48.64
C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198427	0	46	-1.0	-53.77	395.31	-3.39	-57.16
C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198428	0	40	-1.0	-51.29	361.22	-4.46	-55.75
C[C@H](CNC(=O)CC(C1CCC1)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198429	0	55	-1.0	-44.50	439.43	3.24	-41.26
C[C@H](CNC(=O)C1=C(C(F)F)N=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198430	0	38	-1.0	-49.44	357.07	-4.03	-53.47
C[C@H](CNC(=O)CCC1=NN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198431	0	44	-1.0	-49.54	393.22	-1.96	-51.50
C[C@H](CNC(=O)C1=CC=C(C(N)=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198432	0	41	-1.0	-50.43	374.83	-5.08	-55.51
C[C@H](CNC(=O)C1(C(C)(F)F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198433	0	42	-1.0	-45.47	374.72	0.25	-45.22
C[C@H](CNC(=O)CN1N=NC2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198434	0	48	-1.0	-55.78	412.95	-0.48	-56.26
CC1=NC(C(C)C)=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198435	0	50	-1.0	-46.47	421.74	1.09	-45.38
CC[C@@H](C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025198436	0	47	0.0	-64.72	380.72	-0.17	-64.89
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)(F)F	REAL300025198437	0	41	-1.0	-49.84	362.05	-0.49	-50.33
CCC1=NC=NC(CC)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198438	0	49	-1.0	-47.49	425.79	0.83	-46.66
CC1=NC(C)=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025198439	0	42	-1.0	-48.14	372.25	-1.62	-49.76
C[C@H](CNC(=O)C1=NC=CN2C=CN=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198440	0	41	-1.0	-54.89	374.16	-0.63	-55.52
CC1=NC(C2CC2)=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198441	0	48	-1.0	-46.85	411.37	1.29	-45.56
CC1=NN(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198442	0	42	-1.0	-53.40	377.09	-0.92	-54.32
C[C@H](CNC(=O)C1=C2C=CNC2=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198443	0	42	-1.0	-51.24	376.74	-1.30	-52.54
COC1=CC(=O)NC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198444	0	43	-1.0	-50.61	382.29	-2.85	-53.46
CC(OCC1=CC=NC=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198445	0	48	-1.0	-51.10	424.10	0.38	-50.72
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1=CN=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198446	0	46	-1.0	-50.70	406.03	1.62	-49.08
C[C@H](CNC(=O)CCC1=NNN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198447	0	41	-1.0	-48.37	370.15	-3.06	-51.43
C[C@H](CNC(=O)CCC1=CNN=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198447	1	41	-1.0	-51.87	370.25	-2.98	-54.85
C[C@H](CNC(=O)C1(CF)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198448	0	42	-1.0	-45.71	362.22	-0.05	-45.76
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198449	0	44	-1.0	-47.41	382.43	-1.30	-48.71
CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198450	0	48	-1.0	-45.49	407.17	1.59	-43.90
C[C@H](CNC(=O)C1COC2=CC=CC=C2O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198451	0	45	-1.0	-50.56	398.02	0.50	-50.06
CC1=CC=NC2=NC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=NN21	REAL300025198452	0	43	-1.0	-58.68	392.78	1.10	-57.58
C[C@H](CNC(=O)CNC(=O)C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198453	0	52	-1.0	-48.80	435.10	-0.86	-49.66
C[C@H](CNC(=O)CNC(=O)C1=CC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198454	0	43	-1.0	-50.00	401.45	-2.12	-52.12
C[C@H](CNC(=O)CNC(=O)C1=CC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198455	0	43	-1.0	-50.92	393.53	-3.12	-54.04
C[C@H](CNC(=O)C1=CN2C=CC=CC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198456	0	42	-1.0	-51.82	380.80	0.85	-50.97
C[C@H](CNC(=O)CCCOC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198457	0	49	-1.0	-49.21	426.33	1.47	-47.74
C[C@H](CNC(=O)C1=CC=C2N=CSC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198458	0	41	-1.0	-49.01	381.42	-0.24	-49.25
C[C@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198459	0	47	-1.0	-53.54	417.26	-3.02	-56.56
C[C@H](CNC(=O)C1=CC=C(Cl)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198460	0	36	-1.0	-45.16	359.49	-0.00	-45.16
CC(C)OC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198461	0	49	-1.0	-47.25	419.51	1.24	-46.01
C[C@H](CNC(=O)C1=CC2=CC=CC=C2O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198462	0	42	-1.0	-47.79	381.56	0.78	-47.01
C[C@H](CNC(=O)C1=CC=C2CCCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198463	0	49	-1.0	-46.40	413.04	2.87	-43.53
CC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300025198464	0	48	-1.0	-45.99	409.80	2.31	-43.68
C[C@H](CNC(=O)CCCC1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198465	0	54	-1.0	-45.54	438.63	2.82	-42.72
COC1=CC=C(Cl)C=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198466	0	43	-1.0	-48.87	394.38	1.46	-47.41
C[C@H](CNC(=O)C1=CC2=C(CCCC2)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198467	0	46	-1.0	-45.94	406.09	2.00	-43.94
C[C@H](CNC(=O)C1=CC2=C(CCC2)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198468	0	43	-1.0	-46.38	388.36	1.40	-44.98
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)OC2=CC=CC=C21	REAL300025198469	0	45	-1.0	-47.92	399.34	1.47	-46.45
CCOC1=CC=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198470	0	49	-1.0	-48.92	426.32	1.30	-47.62
C[C@H](CNC(=O)C1=C(C2CC2)C=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198471	0	43	-1.0	-46.08	388.08	1.49	-44.59
CCCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300025198472	0	51	-1.0	-45.35	433.90	2.97	-42.38
C[C@H](CNC(=O)C1=CC=C(NC(N)=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198473	0	45	-1.0	-53.22	399.22	-3.53	-56.75
CC(=O)NCCCCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198474	0	51	-1.0	-52.69	440.23	-1.23	-53.92
C[C@H](CNC(=O)C1(C2=CC=CC=C2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198475	0	46	-1.0	-46.10	401.09	2.11	-43.99
C[C@H](CNC(=O)CC1=CC=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198476	0	42	-1.0	-48.48	381.37	1.14	-47.34
C[C@H](CNC(=O)CC1=CC=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198477	0	42	-1.0	-47.81	388.87	1.48	-46.33
CCC1=CC=CC(OCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198478	0	49	-1.0	-49.65	426.77	2.40	-47.25
CC1=CC=C(OCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198479	0	46	-1.0	-49.60	405.29	1.63	-47.97
C[C@H](CNC(=O)C1=NN(C)C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198480	0	41	-1.0	-48.39	372.83	-2.51	-50.90
CCCCC1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198481	0	57	-1.0	-44.92	451.66	3.27	-41.65
C[C@H](CNC(=O)C1=CC(F)=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198482	0	39	-1.0	-45.79	363.16	0.52	-45.27
CC1=CC(C)=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300025198483	0	48	-1.0	-46.79	414.45	1.97	-44.82
COC1=CC=CC=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198484	0	46	-1.0	-49.09	403.28	0.43	-48.66
COC1=CC=C(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198485	0	49	-1.0	-48.02	425.86	1.18	-46.84
CC1=CC=C(OC(C)C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198486	0	49	-1.0	-49.16	421.91	2.24	-46.92
CC1=CC=CC(OC(C)C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198487	0	49	-1.0	-49.51	422.71	2.20	-47.31
COC1=CC=CC=C1CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198488	0	49	-1.0	-47.79	424.68	1.24	-46.55
CC1=CC=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300025198489	0	48	-1.0	-47.98	413.38	2.27	-45.71
CC1=CC=CC(C)=C1OCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198490	0	49	-1.0	-49.09	425.63	2.41	-46.68
C[C@H](CNC(=O)CCNC(=O)C1=CC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198491	0	46	-1.0	-53.79	415.67	-2.47	-56.26
C[C@H](CNC(=O)CN1C=NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198492	0	38	-1.0	-54.84	349.92	-0.07	-54.91
C[C@H](CNC(=O)CCC1=CC=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198493	0	45	-1.0	-46.78	409.03	2.25	-44.53
CC1=NC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025198494	0	41	-1.0	-50.24	380.40	-1.06	-51.30
C[C@H](CNC(=O)C1=CSC2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198495	0	46	-1.0	-46.29	401.28	1.94	-44.35
C[C@H](CNC(=O)CCCC1=CC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198496	0	45	-1.0	-47.62	408.08	1.75	-45.87
CCC1=C(C)C=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025198497	0	45	-1.0	-45.84	404.05	1.51	-44.33
C[C@H](CNC(=O)C1=CC2=NC=CN=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198498	0	43	-1.0	-51.49	386.35	-1.18	-52.67
CCCC1=C(C)SC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198499	0	48	-1.0	-45.77	424.66	2.22	-43.55
C[C@H](CNC(=O)CN1C(=O)CNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198500	0	41	-1.0	-55.09	375.33	-4.40	-59.49
C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198501	0	44	-1.0	-55.42	397.74	-2.02	-57.44
C[C@H](CNC(=O)C1=CC2=CC=CC=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198502	0	43	-1.0	-47.32	384.09	0.33	-46.99
CC1=C(C)SC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198503	0	42	-1.0	-46.13	382.57	0.72	-45.41
C[C@H](CNC(=O)CN1CCCCCC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198504	0	49	-1.0	-52.48	411.65	0.15	-52.33
CCC1=C(C)SC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198505	0	45	-1.0	-45.90	404.16	1.48	-44.42
C[C@H](CNC(=O)C(=O)N1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198506	0	46	-1.0	-47.93	395.56	-1.29	-49.22
C[C@H](CNC(=O)C(C1CC1)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198507	0	46	-1.0	-44.59	396.62	1.68	-42.91
CCCCN1N=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300025198508	0	51	-1.0	-48.82	435.72	1.02	-47.80
CCCCN1C=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300025198509	0	51	-1.0	-48.56	437.99	1.13	-47.43
CCC(C)N1N=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300025198510	0	51	-1.0	-48.95	431.56	0.81	-48.14
C[C@H](CNC(=O)CCOC1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198511	0	50	-1.0	-47.18	423.57	-1.59	-48.77
CCN1N=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1C1CC1	REAL300025198512	0	49	-1.0	-48.93	421.09	0.85	-48.08
CCC1=NOC(COCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025198513	0	47	-1.0	-54.63	422.50	-2.34	-56.97
CC1=NN(CCCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300025198514	0	50	-1.0	-54.94	436.33	0.99	-53.95
C[C@H](CNC(=O)CC1=NNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198515	0	38	-1.0	-53.80	349.57	-2.07	-55.87
C[C@H](CNC(=O)CC1=NN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198515	1	38	-1.0	-57.92	348.18	-1.52	-59.44
C=CCOC1=CC=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198516	0	46	-1.0	-50.60	409.82	0.74	-49.86
C[C@H](CNC(=O)C1(C(=O)N(C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198517	0	46	-1.0	-48.57	399.92	-1.40	-49.97
C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198518	0	55	0.0	-69.60	444.31	2.67	-66.93
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C(C)C	REAL300025198519	0	48	-1.0	-49.13	413.33	0.18	-48.95
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025198520	0	48	-1.0	-45.07	395.93	1.26	-43.81
C[C@H](CNC(=O)C1CCCCN1C(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198521	0	48	-1.0	-52.65	398.65	-1.85	-54.50
C[C@H](CNC(=O)C1=CNN=C1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198522	0	48	-1.0	-47.91	401.39	-0.83	-48.74
CCN1C=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025198523	0	45	-1.0	-51.17	399.31	-0.27	-51.44
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CN(C)N=C1	REAL300025198524	0	45	-1.0	-50.82	395.70	-0.59	-51.41
CCCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025198525	0	50	-1.0	-44.65	406.41	1.55	-43.10
C[C@H](CNC(=O)CCC1CCCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198526	0	49	-1.0	-46.41	410.96	0.00	-46.41
C[C@H](CNC(=O)C1=CC2=CC(F)=CC=C2O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198527	0	42	-1.0	-46.23	388.06	0.84	-45.39
C[C@H](CNC(=O)C1CC2=CC(F)=CC=C2O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198528	0	44	-1.0	-49.68	396.02	1.34	-48.34
CCC(CC1=CC=CC=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198529	0	51	-1.0	-45.84	432.63	2.90	-42.94
CCC(OC1CCCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198530	0	52	-1.0	-46.54	434.29	2.05	-44.49
COC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=NN1C	REAL300025198531	0	46	-1.0	-50.24	412.17	-2.52	-52.76
CC(C)N1C=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025198532	0	45	-1.0	-48.82	395.96	-0.47	-49.29
C[C@H](CNC(=O)C1=CC=NC(N(C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198533	0	46	-1.0	-48.27	399.31	0.22	-48.05
CCOC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300025198534	0	49	-1.0	-46.67	421.65	1.35	-45.32
C[C@H](CNC(=O)C1CCCC(C(N)=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198535	0	49	-1.0	-50.28	405.33	-2.87	-53.15
C[C@H](CNC(=O)COC1CCCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198536	0	52	-1.0	-48.27	430.19	1.77	-46.50
C[C@H](CNC(=O)C1=CC=NC(C2CC2)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198537	0	44	-1.0	-46.88	394.95	0.11	-46.77
C[C@H](CNC(=O)C1=CSC2=CN=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198538	0	39	-1.0	-48.90	364.15	0.50	-48.40
C[C@H](CNC(=O)COC1CCCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198539	0	52	-1.0	-47.98	429.15	1.82	-46.16
C[C@H](CNC(=O)COC1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198540	0	47	-1.0	-49.73	402.61	-1.33	-51.06
C[C@H](CNC(=O)COCC1CCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198541	0	47	-1.0	-50.00	405.69	-1.46	-51.46
C[C@H](CNC(=O)C1CCCS(=O)(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198542	0	45	-1.0	-54.56	394.64	-3.26	-57.82
C[C@H](CNC(=O)C1CCS(=O)(=O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198543	0	45	-1.0	-55.29	394.30	-3.29	-58.58
CC(C)C(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198544	0	44	-1.0	-44.91	368.52	-0.05	-44.96
C[C@H](CNC(=O)C1=CN(C)C(=O)N(C)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198545	0	45	-1.0	-52.77	397.50	-1.13	-53.90
C[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198546	0	44	-1.0	-58.59	387.71	-3.78	-62.37
CC(CC1CCCCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198547	0	54	-1.0	-45.15	432.90	2.54	-42.61
CCC(CC1CCCCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198548	0	57	-1.0	-44.70	450.58	3.29	-41.41
CC(CC1CCCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198549	0	51	-1.0	-45.00	416.26	2.05	-42.95
CCC(CC1CCCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198550	0	54	-1.0	-44.98	437.31	2.54	-42.44
CCCC(CC1CCCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198551	0	57	-1.0	-44.52	442.94	3.10	-41.42
CC(C)C(CC1CCCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198552	0	57	-1.0	-44.50	447.67	3.50	-41.00
CCOC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C	REAL300025198553	0	49	-1.0	-47.08	421.72	1.34	-45.74
C[C@H](CNC(=O)C1=CN2C=CC=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198554	0	43	-1.0	-48.97	384.98	1.98	-46.99
C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198555	0	43	-1.0	-51.92	399.70	-2.63	-54.55
CCNC(=O)NC(C)(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198556	0	50	-1.0	-48.36	421.81	-3.31	-51.67
CC1=NC(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025198557	0	44	-1.0	-47.48	402.61	-0.40	-47.88
CC1=NN(C)C=C1CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198558	0	48	-1.0	-50.51	419.32	0.19	-50.32
C[C@H](CNC(=O)C1(C2=CC=CC(F)=C2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198559	0	46	-1.0	-46.45	407.50	2.18	-44.27
CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198560	0	42	-1.0	-45.70	368.25	0.30	-45.40
CC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NC=C1C(N)=O	REAL300025198561	0	45	-1.0	-48.98	398.52	-3.88	-52.86
C[C@H](CNC(=O)C1CCC2=NN=NN2CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198562	0	47	-1.0	-55.78	399.52	-1.21	-56.99
C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198563	0	44	-1.0	-48.25	373.02	-1.49	-49.74
C[C@H](CNC(=O)C1=NN(C)C2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198564	0	49	-1.0	-49.95	416.56	0.53	-49.42
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CCC(=O)N1	REAL300025198565	0	46	-1.0	-51.70	391.49	-2.62	-54.32
CC1=CNC(CC(N)=O)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198566	0	47	-1.0	-56.86	420.66	-3.82	-60.68
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198567	0	46	-1.0	-49.82	407.33	0.23	-49.59
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1=CC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198568	0	43	-1.0	-47.10	387.33	0.68	-46.42
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1=CC=CN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198569	0	45	-1.0	-48.16	397.74	0.62	-47.54
COC1=CC=CC(OCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198570	0	47	-1.0	-51.84	413.37	0.26	-51.58
C[C@H](CNC(=O)C1=C2NC=CC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198571	0	43	-1.0	-47.90	379.45	0.57	-47.33
C[C@H](CNC(=O)CNC(=O)C1=CC=CN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198572	0	45	-1.0	-50.64	404.29	-2.87	-53.51
CC(C)C1=NNC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198573	0	45	-1.0	-47.46	394.36	-1.28	-48.74
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=C1	REAL300025198574	0	42	-1.0	-46.88	384.26	1.56	-45.32
CCC(NC(C)=O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198575	0	45	-1.0	-48.90	386.85	-2.77	-51.67
COC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300025198576	0	43	-1.0	-48.05	386.03	-0.26	-48.31
C[C@H](CNC(=O)C1=C2C=CNC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198577	0	43	-1.0	-50.44	379.43	0.40	-50.04
CC(C)=CCCC(C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198578	0	54	-1.0	-45.40	445.08	2.86	-42.54
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1F	REAL300025198579	0	42	-1.0	-50.21	381.45	1.16	-49.05
C=CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198580	0	43	-1.0	-46.43	381.36	1.47	-44.96
CC(C)CCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198581	0	47	-1.0	-45.58	397.01	0.92	-44.66
C[C@H](CNC(=O)C1=CC=CC2=C1OCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198582	0	44	-1.0	-50.66	385.26	1.14	-49.52
C[C@H](CNC(=O)C1=CC=C2OCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198583	0	44	-1.0	-48.11	386.23	0.23	-47.88
C[C@H](CNC(=O)C1=CC(C2=CC=CO2)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198584	0	43	-1.0	-50.19	394.89	-1.45	-51.64
C[C@H](CNC(=O)C1(C(F)(F)F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198585	0	39	-1.0	-45.93	361.76	-0.23	-46.16
CC1=CC=CC(C)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198586	0	45	-1.0	-46.87	393.07	1.31	-45.56
C[C@H](CNC(=O)C1=CC(C2CC2)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198587	0	43	-1.0	-47.72	384.01	-1.06	-48.78
C[C@H](CNC(=O)CCCC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198588	0	41	-1.0	-48.55	376.08	0.02	-48.53
C[C@H](CNC(=O)C1=CC(F)=C(F)C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198589	0	39	-1.0	-46.83	369.31	0.56	-46.27
C[C@H](CNC(=O)CCCC1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198590	0	48	-1.0	-48.33	424.27	2.73	-45.60
CC1=CC(F)=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198591	0	42	-1.0	-46.75	378.15	1.11	-45.64
CC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025198592	0	53	-1.0	-44.99	422.17	1.67	-43.32
CCN1N=C(C)C=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198593	0	45	-1.0	-47.07	394.36	-0.44	-47.51
C[C@H](CNC(=O)C1CC2=CC=CC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198594	0	46	-1.0	-46.80	397.29	2.13	-44.67
C[C@H](CNC(=O)C1=CC=C(Cl)C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198595	0	39	-1.0	-46.67	372.91	0.95	-45.72
C[C@H](CNC(=O)C1=NOC2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198596	0	45	-1.0	-48.11	390.83	0.35	-47.76
C[C@H](CNC(=O)C1=CC(F)=CC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198597	0	39	-1.0	-45.48	373.48	0.97	-44.51
C[C@H](CNC(=O)C1=CC(F)=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198598	0	39	-1.0	-46.74	369.27	0.96	-45.78
C[C@H](CNC(=O)C1=CC=NC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198599	0	38	-1.0	-47.08	358.23	-0.86	-47.94
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300025198600	0	42	-1.0	-48.72	376.29	1.13	-47.59
CC1=CC=CC=C1CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198601	0	48	-1.0	-46.45	411.73	2.35	-44.10
C[C@H](CNC(=O)C1C2CCCCCCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198602	0	52	-1.0	-44.75	410.72	2.07	-42.68
C[C@H](CNC(=O)C1CC12CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198603	0	40	-1.0	-46.02	357.91	0.33	-45.69
C[C@H](CNC(=O)C1=NC2=CC=NC=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198604	0	43	-1.0	-49.48	388.68	-0.96	-50.44
C[C@H](CNC(=O)C1=CC=CC(F)=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198605	0	39	-1.0	-48.28	368.72	0.94	-47.34
C[C@H](CNC(=O)C1CCC(F)(F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198606	0	45	-1.0	-47.73	387.24	0.75	-46.98
C[C@H](CNC(=O)C1=CN=NC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198607	0	43	-1.0	-50.75	381.71	-0.34	-51.09
C[C@H](CNC(=O)C1CCC2=CC=CC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198608	0	49	-1.0	-46.37	414.53	2.72	-43.65
CC1=CC=C(F)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198609	0	42	-1.0	-48.46	376.29	1.13	-47.33
CC(NS(C)(=O)=O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198610	0	43	-1.0	-53.25	389.22	-5.78	-59.03
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025198611	0	42	-1.0	-53.85	373.96	-1.82	-55.67
C[C@H](CNC(=O)C1=CC2=CC=CC=C2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198612	0	44	-1.0	-49.80	391.65	0.76	-49.04
C[C@H](CNC(=O)C1=CC=C2C=CNC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198613	0	43	-1.0	-49.21	381.58	0.43	-48.78
CCOC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198614	0	46	-1.0	-48.18	401.67	0.60	-47.58
COC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300025198615	0	46	-1.0	-47.35	394.37	0.44	-46.91
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C12	REAL300025198616	0	48	-1.0	-48.23	409.43	3.18	-45.05
C[C@H](CNC(=O)CC1=CNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198617	0	39	-1.0	-53.27	353.48	-1.25	-54.52
C[C@H](CNC(=O)CC1=CN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198617	1	39	-1.0	-52.43	354.33	-1.45	-53.88
C[C@H](CNC(=O)CC1=CC=CC(F)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198618	0	42	-1.0	-50.79	386.71	1.16	-49.63
C[C@H](CNC(=O)CC1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198619	0	51	-1.0	-45.22	406.06	1.74	-43.48
C=CCOCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300025198620	0	55	-1.0	-44.56	448.28	1.76	-42.80
CC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300025198621	0	42	-1.0	-49.67	375.29	-1.35	-51.02
CC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CN=N1	REAL300025198622	0	40	-1.0	-49.57	362.14	-1.84	-51.41
C[C@H](CNC(=O)C1CNC(=O)CC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198623	0	46	-1.0	-50.03	392.27	-2.85	-52.88
CSCCC(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198624	0	43	-1.0	-47.45	390.97	-1.99	-49.44
C[C@H](CNC(=O)[C@@H]1CC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198625	0	37	-1.0	-53.07	339.39	-5.56	-58.63
C[C@H](CNC(=O)C1=C2COCCC2=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198626	0	44	-1.0	-48.41	384.67	-3.09	-51.50
C[C@H](CNC(=O)C1=NC2=CNN=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198627	0	41	-1.0	-49.66	373.65	-2.67	-52.33
CC1=CC(O)=CC(=O)N1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198628	0	46	-1.0	-57.58	406.37	-2.75	-60.33
C[C@H](CNC(=O)C1(C)CCCS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198629	0	43	-1.0	-45.73	378.45	0.34	-45.39
C[C@H](CNC(=O)C1=CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198630	0	43	-1.0	-45.49	366.35	0.61	-44.88
C[C@H](CNC(=O)C1=CN=CC(F)=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198631	0	38	-1.0	-47.17	364.03	-0.82	-47.99
C[C@H](CNC(=O)C1=C2C=COC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198632	0	42	-1.0	-49.51	375.48	0.71	-48.80
CC(=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025198633	0	45	-1.0	-44.99	382.92	0.65	-44.34
C[C@H](CNC(=O)CCCSC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198634	0	51	-1.0	-47.59	437.51	2.08	-45.51
C[C@H](CNC(=O)C1(O)CCSCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198635	0	44	-1.0	-46.87	382.35	-2.45	-49.32
C[C@H](CNC(=O)CN1C=NC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198636	0	45	-1.0	-54.83	402.67	2.13	-52.70
CC(C)OC(C)(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198637	0	48	-1.0	-48.17	402.71	0.31	-47.86
C[C@H](CNC(=O)C1(C)CCCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198638	0	46	-1.0	-44.66	381.86	-0.78	-45.44
C[C@H](CNC(=O)C1=CC=C(N2CCC2)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198639	0	47	-1.0	-47.59	406.41	-1.12	-48.71
C[C@H](CNC(=O)C1=NN2CCOCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198640	0	44	-1.0	-49.38	388.69	-2.60	-51.98
CCC(CC)(CO)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198641	0	48	-1.0	-47.72	393.45	-2.98	-50.70
C[C@H](CNC(=O)C1=CC=C(CO)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198642	0	43	-1.0	-48.44	383.14	-2.29	-50.73
CSC1=CC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198643	0	43	-1.0	-47.78	386.06	1.38	-46.40
CC1=CC=C([N+](=O)[O-])C=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198644	0	44	-1.0	-50.61	394.61	1.72	-48.89
C[C@H](CNC(=O)C1=CC=CC=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198645	0	41	-1.0	-53.86	374.62	2.04	-51.82
C[C@H](CNC(=O)CC1(O)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198646	0	52	0.0	-67.00	418.16	-0.79	-67.79
C[C@H](CNC(=O)C1CCCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198647	0	43	-1.0	-46.19	375.86	0.37	-45.82
C[C@H](CNC(=O)[C@H]1CC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198648	0	37	-1.0	-52.80	339.89	-5.23	-58.03
C[C@H](CNC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198649	0	39	-2.0	-102.38	363.42	-1.15	-103.53
C[C@H](CNC(=O)CN1C=NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198650	0	38	-1.0	-54.84	349.92	-0.07	-54.91
COC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198651	0	40	-1.0	-45.26	355.57	-2.22	-47.48
C[C@H](CNC(=O)C1CSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198652	0	37	-1.0	-48.53	340.91	-1.08	-49.61
C[C@H](CNC(=O)C1=CN=C2SC=CN12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198653	0	39	-1.0	-47.58	365.23	0.00	-47.58
C[C@H](CNC(=O)CC1=CC=CC([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198654	0	44	-1.0	-52.17	403.18	1.74	-50.43
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=NC2=NN=CN21	REAL300025198655	0	43	-1.0	-56.36	381.41	2.69	-53.67
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1[N+](=O)[O-]	REAL300025198656	0	44	-1.0	-50.50	394.49	1.56	-48.94
C[C@H](CNC(=O)C1(O)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198657	0	43	-1.0	-46.31	366.25	-3.08	-49.39
C[C@H](CNC(=O)C1=CC(=O)NC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198658	0	39	-1.0	-51.02	360.52	-5.34	-56.36
C[C@H](CNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198659	0	41	0.0	-67.71	350.53	-1.20	-68.91
C[C@H](CNC(=O)CN(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198659	1	40	-1.0	-46.31	348.45	-3.58	-49.89
C[C@H](CNC(=O)C1=CC=C(Cl)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198660	0	38	-1.0	-47.62	362.19	-0.97	-48.59
CC1=CC=C(SCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198661	0	46	-1.0	-48.12	414.89	2.21	-45.91
C[C@H](CNC(=O)C1=CNC(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198662	0	39	-1.0	-53.48	357.85	-5.09	-58.57
COC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300025198663	0	46	-1.0	-47.71	407.30	1.21	-46.50
C[C@H](CNC(=O)CN1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198664	0	51	-1.0	-48.46	422.01	-4.20	-52.66
C[C@H](CNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198664	1	52	0.0	-69.62	424.32	-2.01	-71.63
C[C@H](CNC(=O)CCN1C=C([N+](=O)[O-])C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198665	0	44	-1.0	-50.93	407.53	-0.23	-51.16
CSC1=CC(F)=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198666	0	43	-1.0	-46.81	392.43	1.45	-45.36
CC(C)=C(Br)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198667	0	39	-1.0	-46.21	365.69	-0.26	-46.47
C[C@H](CNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198668	0	51	0.0	-66.25	401.86	0.84	-65.41
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CCOCC1	REAL300025198669	0	48	-1.0	-46.64	393.36	-3.64	-50.28
CC1=CN=C(F)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198670	0	41	-1.0	-49.97	371.34	-0.79	-50.76
CCCC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025198671	0	44	-1.0	-47.69	401.67	-0.21	-47.90
CCC1=NNC(CC)=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198672	0	51	-1.0	-49.80	435.59	0.00	-49.80
C[C@H](CNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198673	0	43	0.0	-65.54	381.77	2.32	-63.22
C[C@H](CNC(=O)C=CSCC1=CC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198674	0	44	-1.0	-48.42	412.69	1.01	-47.41
CC1=NC=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198675	0	40	-1.0	-47.07	358.62	-2.55	-49.62
C[C@H](CNC(=O)C1=CN(CC(F)F)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198676	0	42	-1.0	-49.84	389.86	-0.73	-50.57
CCOC1C(C)C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198677	0	46	-1.0	-45.23	396.94	-0.53	-45.76
C[C@H](CNC(=O)C1CCCN2C=CN=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198678	0	46	-1.0	-50.52	393.53	0.75	-49.77
CC1=NC2=C(NC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=C2)S1	REAL300025198679	0	42	-1.0	-49.42	391.03	-1.76	-51.18
CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198680	0	47	-1.0	-49.10	398.72	-4.99	-54.09
C[C@H](CNC(=O)C1CC1C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198681	0	52	-1.0	-44.96	426.46	2.64	-42.32
C[C@H](CNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198682	0	48	0.0	-62.93	388.84	0.62	-62.31
C[C@H](CNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198682	1	48	0.0	-67.64	395.13	0.42	-67.22
C=CC(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198683	0	37	-1.0	-46.46	336.30	-3.32	-49.78
C[C@H](CNC(=O)CCCN=[N+]=[N-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198684	0	40	-1.0	-48.03	366.58	-4.49	-52.52
CC1=CC=CN=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198685	0	44	-1.0	-50.12	387.00	-0.27	-50.39
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