CC(=O)C1=CC=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348170	0	31	-2.0	-93.57	295.84	-0.79	-94.36
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(Cl)=C1[O-]	REAL300024348187	0	26	-2.0	-85.20	269.83	-0.67	-85.87
NS(=O)(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1[O-]	REAL300024348197	0	31	-2.0	-89.19	308.25	-5.75	-94.94
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC(Br)=C1[O-]	REAL300024348199	0	26	-2.0	-80.88	290.94	-0.06	-80.94
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
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)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=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)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=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=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
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
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348348	0	32	-2.0	-93.04	315.32	-3.71	-96.75
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
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
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=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)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)CC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351217	1	32	-2.0	-89.16	306.21	-2.87	-92.03
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(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
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-]C1=NN=C(COC2=CC=C(Cl)C=C2)S1	REAL300024351410	0	34	-2.0	-93.17	354.63	0.84	-92.33
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
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
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
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
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
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)[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)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300024352425	1	34	-2.0	-95.95	345.03	2.84	-93.11
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
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
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
N#CC1=CN(CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]C1=O	REAL300024352646	0	32	-2.0	-95.33	321.34	-4.20	-99.53
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C=CC2=CC=CO2)S1	REAL300024352688	0	31	-2.0	-94.40	323.12	0.43	-93.97
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
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
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
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
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
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)[N-]OC1=CC=C(C(F)(F)F)C=C1	REAL300024352917	0	29	-2.0	-91.40	301.12	2.11	-89.29
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300024352948	1	33	-2.0	-100.92	312.70	-0.63	-101.55
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300024352995	1	35	-2.0	-88.62	339.16	1.04	-87.58
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=CC(Br)=C1[O-]	REAL300024353021	0	25	-2.0	-85.34	271.03	-0.90	-86.24
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=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)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
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)[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
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300024353221	0	30	-2.0	-102.81	314.78	0.98	-101.83
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)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300024353329	1	40	-2.0	-89.70	344.42	1.93	-87.77
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
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
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
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
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
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
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)[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)N1CC(C[N-]C(=O)C(F)(F)F)C1	REAL300024353613	1	32	-2.0	-79.55	319.65	-2.79	-82.34
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
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
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
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
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
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
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
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300024601181	1	44	-2.0	-86.28	392.95	-2.65	-88.93
O=C(CSC1=NNC(=O)[N-]1)NCC[N-]C(=O)C(F)(F)C(F)(F)F	REAL300024601269	1	31	-2.0	-79.40	322.25	-3.95	-83.35
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC(=O)N1[O-]	REAL300024609165	0	36	-2.0	-115.84	341.05	-1.23	-117.07
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)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300024609248	0	38	-2.0	-83.88	364.67	-1.45	-85.33
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
[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
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(F)C=CC(O)=C1O	REAL300024609392	0	37	-2.0	-94.21	358.44	-4.74	-98.95
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300024609392	1	37	-2.0	-94.21	358.44	-4.74	-98.95
N#CC1=CC=C([O-])C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609407	0	37	-2.0	-91.35	356.63	-0.74	-92.09
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN([O-])C(=O)NC1=O	REAL300024609570	0	36	-2.0	-86.23	346.45	-4.60	-90.83
O=C(C=C([O-])C1=CSC=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609573	0	39	-2.0	-95.78	382.74	-0.88	-96.66
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
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)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(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
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)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300024756187	0	39	-2.0	-81.90	370.76	-3.17	-85.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300024756215	0	41	-2.0	-84.62	384.48	-0.35	-84.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024756256	0	38	-2.0	-92.73	358.11	-5.01	-97.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300024756287	0	41	-2.0	-88.42	385.49	-3.82	-92.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1O	REAL300024756329	0	40	-2.0	-92.67	378.25	-3.65	-96.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300024756329	1	40	-2.0	-92.67	378.25	-3.65	-96.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300024756339	0	40	-2.0	-91.55	376.44	0.36	-91.19
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300024756461	0	39	-2.0	-87.44	366.19	-3.49	-90.93
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)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
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
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)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
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#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=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=CN([O-])C(=O)C=C1	REAL300024823426	0	39	-2.0	-100.23	366.30	-0.29	-100.52
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300024823580	0	39	-2.0	-88.98	366.72	-5.19	-94.17
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024823592	1	35	-2.0	-87.91	331.23	-3.82	-91.73
CCN1[N-]C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024823811	0	42	-2.0	-93.72	380.64	-1.25	-94.97
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
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
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)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)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)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
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)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)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
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
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
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
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)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
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)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
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=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
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)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)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
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)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
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#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=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
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(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
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
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
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
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
O=C(CC1SC(=O)[N-]C1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859890	0	37	-2.0	-87.07	362.08	-5.54	-92.61
CN1N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024859909	0	36	-2.0	-94.79	345.58	-4.49	-99.28
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)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025009460	0	39	-2.0	-103.54	363.42	-1.12	-104.66
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300025009614	0	39	-2.0	-87.07	363.89	-6.03	-93.10
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
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300025009743	0	34	-2.0	-77.53	338.68	-2.89	-80.42
CCN1[N-]C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025009845	0	42	-2.0	-89.68	385.33	-2.56	-92.24
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300025009876	0	39	-2.0	-118.26	372.02	0.89	-117.37
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1SC(=O)[N-]C1=O	REAL300025009890	0	39	-2.0	-87.42	374.57	-6.06	-93.48
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025009909	0	38	-2.0	-92.73	358.11	-5.01	-97.74
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)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)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
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
C[C@@H](CNC(=O)CC1=NC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015410	0	38	-2.0	-104.17	367.30	-5.30	-109.47
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
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
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
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
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)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
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)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
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=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
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)C1=CC=C(C#N)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015717	0	39	-2.0	-85.52	370.78	-3.20	-88.72
C[C@@H](CNC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015745	0	41	-2.0	-88.33	382.10	-0.05	-88.38
C[C@@H](CNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015786	0	38	-2.0	-93.03	358.12	-5.01	-98.04
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
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#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=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=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)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300025205180	0	39	-2.0	-87.44	366.19	-3.49	-90.93